USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 Single : A 3 MET CE :methyl -122:sc= -1.6 (180deg=-1.92) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 7 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.3!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.269 USER MOD Single : A 18 MET CE :methyl -159:sc= -0.0921 (180deg=-0.618) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.16) USER MOD Single : A 44 THR OG1 : rot -4:sc= 1.09 USER MOD Single : A 46 MET CE :methyl 157:sc= -0.7 (180deg=-2.9!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -6.2! C(o=-6.2!,f=-5.4!) USER MOD Single : A 52 ASN : amide:sc= -4.28! C(o=-4.3!,f=-8.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= -0.0274 (180deg=-0.186) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 81 MET CE :methyl -152:sc= -1.86 (180deg=-3.79!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -12.493 -2.746 -6.009 1.00 0.00 N ATOM 25 CA MET A 3 -11.495 -3.370 -5.095 1.00 0.00 C ATOM 26 C MET A 3 -11.966 -4.774 -4.705 1.00 0.00 C ATOM 27 O MET A 3 -11.664 -5.265 -3.636 1.00 0.00 O ATOM 28 CB MET A 3 -11.354 -2.514 -3.835 1.00 0.00 C ATOM 29 CG MET A 3 -10.586 -1.235 -4.169 1.00 0.00 C ATOM 30 SD MET A 3 -9.686 -0.672 -2.704 1.00 0.00 S ATOM 31 CE MET A 3 -11.130 -0.323 -1.670 1.00 0.00 C ATOM 0 HA MET A 3 -10.532 -3.437 -5.601 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.339 -2.266 -3.439 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.830 -3.073 -3.060 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.890 -1.419 -4.988 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.276 -0.461 -4.505 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.111 0.722 -1.360 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.040 -0.516 -2.238 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.110 -0.964 -0.789 1.00 0.00 H new ATOM 41 N THR A 4 -12.704 -5.422 -5.564 1.00 0.00 N ATOM 42 CA THR A 4 -13.192 -6.792 -5.240 1.00 0.00 C ATOM 43 C THR A 4 -12.164 -7.824 -5.706 1.00 0.00 C ATOM 44 O THR A 4 -11.258 -8.183 -4.981 1.00 0.00 O ATOM 45 CB THR A 4 -14.522 -7.041 -5.950 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.537 -6.256 -5.340 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.886 -8.523 -5.846 1.00 0.00 C ATOM 0 H THR A 4 -12.990 -5.063 -6.475 1.00 0.00 H new ATOM 0 HA THR A 4 -13.333 -6.881 -4.163 1.00 0.00 H new ATOM 0 HB THR A 4 -14.432 -6.764 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.390 -6.413 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.835 -8.701 -6.352 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.106 -9.123 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.977 -8.803 -4.796 1.00 0.00 H new ATOM 55 N ASP A 5 -12.294 -8.305 -6.914 1.00 0.00 N ATOM 56 CA ASP A 5 -11.319 -9.312 -7.423 1.00 0.00 C ATOM 57 C ASP A 5 -9.901 -8.863 -7.070 1.00 0.00 C ATOM 58 O ASP A 5 -8.997 -9.665 -6.944 1.00 0.00 O ATOM 59 CB ASP A 5 -11.455 -9.428 -8.943 1.00 0.00 C ATOM 60 CG ASP A 5 -12.075 -10.781 -9.297 1.00 0.00 C ATOM 61 OD1 ASP A 5 -13.074 -11.128 -8.691 1.00 0.00 O ATOM 62 OD2 ASP A 5 -11.539 -11.447 -10.168 1.00 0.00 O ATOM 0 H ASP A 5 -13.032 -8.045 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.520 -10.281 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.077 -8.619 -9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.478 -9.329 -9.415 1.00 0.00 H new ATOM 67 N GLN A 6 -9.702 -7.585 -6.912 1.00 0.00 N ATOM 68 CA GLN A 6 -8.345 -7.073 -6.570 1.00 0.00 C ATOM 69 C GLN A 6 -7.824 -7.777 -5.314 1.00 0.00 C ATOM 70 O GLN A 6 -6.748 -8.343 -5.310 1.00 0.00 O ATOM 71 CB GLN A 6 -8.432 -5.569 -6.312 1.00 0.00 C ATOM 72 CG GLN A 6 -7.134 -4.896 -6.763 1.00 0.00 C ATOM 73 CD GLN A 6 -7.230 -3.387 -6.526 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.903 -2.906 -5.459 1.00 0.00 O ATOM 75 NE2 GLN A 6 -7.667 -2.615 -7.482 1.00 0.00 N ATOM 0 H GLN A 6 -10.423 -6.870 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.662 -7.270 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.280 -5.146 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.602 -5.381 -5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.288 -5.308 -6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.955 -5.098 -7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.942 -3.018 -8.378 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.734 -1.608 -7.334 1.00 0.00 H new ATOM 84 N GLN A 7 -8.573 -7.741 -4.245 1.00 0.00 N ATOM 85 CA GLN A 7 -8.114 -8.399 -2.988 1.00 0.00 C ATOM 86 C GLN A 7 -8.242 -9.919 -3.117 1.00 0.00 C ATOM 87 O GLN A 7 -7.742 -10.664 -2.297 1.00 0.00 O ATOM 88 CB GLN A 7 -8.974 -7.918 -1.816 1.00 0.00 C ATOM 89 CG GLN A 7 -10.440 -7.864 -2.250 1.00 0.00 C ATOM 90 CD GLN A 7 -11.344 -8.048 -1.029 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.059 -7.536 0.036 1.00 0.00 O ATOM 92 NE2 GLN A 7 -12.430 -8.762 -1.140 1.00 0.00 N ATOM 0 H GLN A 7 -9.483 -7.284 -4.188 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.070 -8.139 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.859 -8.591 -0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.644 -6.932 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.652 -6.909 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.641 -8.644 -2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.669 -9.191 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.040 -8.891 -0.333 1.00 0.00 H new ATOM 101 N ALA A 8 -8.907 -10.388 -4.136 1.00 0.00 N ATOM 102 CA ALA A 8 -9.064 -11.861 -4.306 1.00 0.00 C ATOM 103 C ALA A 8 -7.704 -12.489 -4.622 1.00 0.00 C ATOM 104 O ALA A 8 -7.407 -13.592 -4.207 1.00 0.00 O ATOM 105 CB ALA A 8 -10.035 -12.140 -5.455 1.00 0.00 C ATOM 0 H ALA A 8 -9.348 -9.817 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.456 -12.293 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.151 -13.217 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.004 -11.695 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.643 -11.708 -6.376 1.00 0.00 H new ATOM 111 N GLU A 9 -6.874 -11.798 -5.356 1.00 0.00 N ATOM 112 CA GLU A 9 -5.537 -12.360 -5.698 1.00 0.00 C ATOM 113 C GLU A 9 -4.517 -11.949 -4.633 1.00 0.00 C ATOM 114 O GLU A 9 -3.930 -12.779 -3.968 1.00 0.00 O ATOM 115 CB GLU A 9 -5.094 -11.821 -7.060 1.00 0.00 C ATOM 116 CG GLU A 9 -5.247 -12.915 -8.119 1.00 0.00 C ATOM 117 CD GLU A 9 -5.326 -12.275 -9.506 1.00 0.00 C ATOM 118 OE1 GLU A 9 -4.283 -12.085 -10.109 1.00 0.00 O ATOM 119 OE2 GLU A 9 -6.429 -11.987 -9.941 1.00 0.00 O ATOM 0 H GLU A 9 -7.064 -10.870 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.601 -13.447 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.693 -10.952 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.057 -11.490 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.402 -13.602 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.146 -13.500 -7.925 1.00 0.00 H new ATOM 126 N ALA A 10 -4.298 -10.673 -4.472 1.00 0.00 N ATOM 127 CA ALA A 10 -3.311 -10.205 -3.457 1.00 0.00 C ATOM 128 C ALA A 10 -3.586 -10.881 -2.112 1.00 0.00 C ATOM 129 O ALA A 10 -2.686 -11.369 -1.458 1.00 0.00 O ATOM 130 CB ALA A 10 -3.429 -8.687 -3.297 1.00 0.00 C ATOM 0 H ALA A 10 -4.760 -9.933 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.305 -10.463 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.708 -8.342 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.226 -8.204 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.437 -8.433 -2.969 1.00 0.00 H new ATOM 136 N ARG A 11 -4.819 -10.912 -1.689 1.00 0.00 N ATOM 137 CA ARG A 11 -5.143 -11.552 -0.382 1.00 0.00 C ATOM 138 C ARG A 11 -5.022 -13.074 -0.505 1.00 0.00 C ATOM 139 O ARG A 11 -4.727 -13.760 0.455 1.00 0.00 O ATOM 140 CB ARG A 11 -6.572 -11.185 0.021 1.00 0.00 C ATOM 141 CG ARG A 11 -6.743 -11.378 1.529 1.00 0.00 C ATOM 142 CD ARG A 11 -8.076 -10.774 1.974 1.00 0.00 C ATOM 143 NE ARG A 11 -7.962 -9.288 2.002 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.968 -8.564 2.413 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.703 -8.973 3.412 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.238 -7.429 1.827 1.00 0.00 N ATOM 0 H ARG A 11 -5.617 -10.522 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.445 -11.197 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.783 -10.151 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.285 -11.808 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.712 -12.439 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.920 -10.902 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.870 -11.076 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.345 -11.148 2.962 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.098 -8.837 1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.491 -9.859 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.489 -8.407 3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.663 -7.108 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.024 -6.864 2.148 1.00 0.00 H new ATOM 160 N ALA A 12 -5.250 -13.609 -1.672 1.00 0.00 N ATOM 161 CA ALA A 12 -5.150 -15.088 -1.845 1.00 0.00 C ATOM 162 C ALA A 12 -3.775 -15.571 -1.379 1.00 0.00 C ATOM 163 O ALA A 12 -3.664 -16.390 -0.488 1.00 0.00 O ATOM 164 CB ALA A 12 -5.341 -15.445 -3.320 1.00 0.00 C ATOM 0 H ALA A 12 -5.501 -13.089 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.924 -15.572 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.268 -16.525 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.323 -15.107 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.569 -14.958 -3.915 1.00 0.00 H new ATOM 170 N PHE A 13 -2.726 -15.076 -1.978 1.00 0.00 N ATOM 171 CA PHE A 13 -1.360 -15.514 -1.572 1.00 0.00 C ATOM 172 C PHE A 13 -1.064 -15.029 -0.152 1.00 0.00 C ATOM 173 O PHE A 13 -0.250 -15.596 0.551 1.00 0.00 O ATOM 174 CB PHE A 13 -0.328 -14.924 -2.536 1.00 0.00 C ATOM 175 CG PHE A 13 1.057 -15.320 -2.087 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.391 -16.674 -1.960 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.008 -14.335 -1.797 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.674 -17.043 -1.542 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.292 -14.703 -1.379 1.00 0.00 C ATOM 180 CZ PHE A 13 3.625 -16.057 -1.251 1.00 0.00 C ATOM 0 H PHE A 13 -2.756 -14.388 -2.730 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.307 -16.602 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.511 -15.284 -3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.418 -13.838 -2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.657 -17.434 -2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.751 -13.291 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.931 -18.087 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.026 -13.943 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.616 -16.341 -0.928 1.00 0.00 H new ATOM 190 N LEU A 14 -1.716 -13.985 0.277 1.00 0.00 N ATOM 191 CA LEU A 14 -1.470 -13.464 1.650 1.00 0.00 C ATOM 192 C LEU A 14 -2.342 -14.226 2.648 1.00 0.00 C ATOM 193 O LEU A 14 -3.384 -13.755 3.061 1.00 0.00 O ATOM 194 CB LEU A 14 -1.815 -11.973 1.694 1.00 0.00 C ATOM 195 CG LEU A 14 -0.606 -11.150 1.239 1.00 0.00 C ATOM 196 CD1 LEU A 14 0.445 -11.128 2.351 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.000 -11.776 -0.021 1.00 0.00 C ATOM 0 H LEU A 14 -2.410 -13.469 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.421 -13.601 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.670 -11.768 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.103 -11.686 2.705 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.926 -10.132 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.305 -10.542 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.017 -10.679 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.762 -12.147 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.860 -11.188 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.318 -12.796 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.746 -11.790 -0.815 1.00 0.00 H new ATOM 209 N SER A 15 -1.927 -15.400 3.038 1.00 0.00 N ATOM 210 CA SER A 15 -2.733 -16.194 4.009 1.00 0.00 C ATOM 211 C SER A 15 -3.230 -15.280 5.131 1.00 0.00 C ATOM 212 O SER A 15 -2.786 -14.159 5.274 1.00 0.00 O ATOM 213 CB SER A 15 -1.869 -17.307 4.606 1.00 0.00 C ATOM 214 OG SER A 15 -0.531 -17.162 4.150 1.00 0.00 O ATOM 0 H SER A 15 -1.064 -15.844 2.726 1.00 0.00 H new ATOM 0 HA SER A 15 -3.586 -16.634 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.901 -17.263 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.260 -18.282 4.315 1.00 0.00 H new ATOM 0 HG SER A 15 0.024 -17.873 4.533 1.00 0.00 H new ATOM 220 N GLU A 16 -4.149 -15.751 5.928 1.00 0.00 N ATOM 221 CA GLU A 16 -4.674 -14.908 7.038 1.00 0.00 C ATOM 222 C GLU A 16 -3.517 -14.471 7.937 1.00 0.00 C ATOM 223 O GLU A 16 -3.349 -13.302 8.223 1.00 0.00 O ATOM 224 CB GLU A 16 -5.681 -15.716 7.860 1.00 0.00 C ATOM 225 CG GLU A 16 -6.842 -14.809 8.274 1.00 0.00 C ATOM 226 CD GLU A 16 -7.867 -15.623 9.066 1.00 0.00 C ATOM 227 OE1 GLU A 16 -7.477 -16.616 9.657 1.00 0.00 O ATOM 228 OE2 GLU A 16 -9.025 -15.238 9.067 1.00 0.00 O ATOM 0 H GLU A 16 -4.559 -16.683 5.859 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.166 -14.028 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.053 -16.557 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.196 -16.131 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.473 -13.981 8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.311 -14.374 7.391 1.00 0.00 H new ATOM 235 N GLU A 17 -2.718 -15.398 8.385 1.00 0.00 N ATOM 236 CA GLU A 17 -1.573 -15.033 9.265 1.00 0.00 C ATOM 237 C GLU A 17 -0.601 -14.141 8.491 1.00 0.00 C ATOM 238 O GLU A 17 0.016 -13.254 9.045 1.00 0.00 O ATOM 239 CB GLU A 17 -0.854 -16.306 9.716 1.00 0.00 C ATOM 240 CG GLU A 17 -1.780 -17.119 10.622 1.00 0.00 C ATOM 241 CD GLU A 17 -1.220 -18.533 10.791 1.00 0.00 C ATOM 242 OE1 GLU A 17 -0.065 -18.651 11.166 1.00 0.00 O ATOM 243 OE2 GLU A 17 -1.956 -19.475 10.543 1.00 0.00 O ATOM 0 H GLU A 17 -2.808 -16.393 8.180 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.940 -14.495 10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.563 -16.899 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.062 -16.050 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.872 -16.635 11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.781 -17.162 10.192 1.00 0.00 H new ATOM 250 N MET A 18 -0.463 -14.367 7.214 1.00 0.00 N ATOM 251 CA MET A 18 0.469 -13.530 6.405 1.00 0.00 C ATOM 252 C MET A 18 0.072 -12.057 6.527 1.00 0.00 C ATOM 253 O MET A 18 0.912 -11.183 6.601 1.00 0.00 O ATOM 254 CB MET A 18 0.393 -13.957 4.938 1.00 0.00 C ATOM 255 CG MET A 18 1.793 -13.918 4.323 1.00 0.00 C ATOM 256 SD MET A 18 2.539 -12.299 4.636 1.00 0.00 S ATOM 257 CE MET A 18 3.922 -12.455 3.479 1.00 0.00 C ATOM 0 H MET A 18 -0.955 -15.095 6.695 1.00 0.00 H new ATOM 0 HA MET A 18 1.487 -13.663 6.772 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.022 -14.962 4.862 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.276 -13.294 4.389 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.413 -14.706 4.751 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.737 -14.104 3.250 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.711 -11.758 3.759 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.309 -13.473 3.510 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.579 -12.228 2.469 1.00 0.00 H new ATOM 267 N ILE A 19 -1.202 -11.777 6.548 1.00 0.00 N ATOM 268 CA ILE A 19 -1.653 -10.361 6.665 1.00 0.00 C ATOM 269 C ILE A 19 -1.553 -9.916 8.125 1.00 0.00 C ATOM 270 O ILE A 19 -0.852 -8.980 8.455 1.00 0.00 O ATOM 271 CB ILE A 19 -3.105 -10.249 6.196 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.264 -10.968 4.854 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.479 -8.776 6.030 1.00 0.00 C ATOM 274 CD1 ILE A 19 -4.647 -11.616 4.785 1.00 0.00 C ATOM 0 H ILE A 19 -1.951 -12.467 6.489 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.021 -9.724 6.046 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.760 -10.708 6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.140 -10.261 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.489 -11.726 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.514 -8.699 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.367 -8.262 6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.824 -8.315 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.761 -12.128 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.753 -12.335 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.414 -10.847 4.879 1.00 0.00 H new ATOM 286 N ALA A 20 -2.251 -10.582 9.001 1.00 0.00 N ATOM 287 CA ALA A 20 -2.202 -10.204 10.439 1.00 0.00 C ATOM 288 C ALA A 20 -0.754 -9.930 10.851 1.00 0.00 C ATOM 289 O ALA A 20 -0.490 -9.157 11.750 1.00 0.00 O ATOM 290 CB ALA A 20 -2.761 -11.351 11.279 1.00 0.00 C ATOM 0 H ALA A 20 -2.855 -11.374 8.782 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.798 -9.305 10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.727 -11.079 12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.793 -11.546 10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.162 -12.247 11.116 1.00 0.00 H new ATOM 296 N GLU A 21 0.186 -10.561 10.204 1.00 0.00 N ATOM 297 CA GLU A 21 1.616 -10.339 10.562 1.00 0.00 C ATOM 298 C GLU A 21 2.031 -8.921 10.165 1.00 0.00 C ATOM 299 O GLU A 21 2.589 -8.183 10.953 1.00 0.00 O ATOM 300 CB GLU A 21 2.490 -11.353 9.820 1.00 0.00 C ATOM 301 CG GLU A 21 2.840 -12.510 10.760 1.00 0.00 C ATOM 302 CD GLU A 21 3.877 -13.415 10.092 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.056 -13.132 10.225 1.00 0.00 O ATOM 304 OE2 GLU A 21 3.473 -14.378 9.459 1.00 0.00 O ATOM 0 H GLU A 21 0.026 -11.221 9.443 1.00 0.00 H new ATOM 0 HA GLU A 21 1.744 -10.465 11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.964 -11.730 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.401 -10.872 9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.232 -12.123 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.943 -13.082 11.000 1.00 0.00 H new ATOM 311 N PHE A 22 1.766 -8.533 8.948 1.00 0.00 N ATOM 312 CA PHE A 22 2.149 -7.163 8.502 1.00 0.00 C ATOM 313 C PHE A 22 1.369 -6.123 9.308 1.00 0.00 C ATOM 314 O PHE A 22 1.735 -4.967 9.363 1.00 0.00 O ATOM 315 CB PHE A 22 1.821 -7.001 7.016 1.00 0.00 C ATOM 316 CG PHE A 22 2.958 -7.547 6.188 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.245 -7.013 6.326 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.726 -8.586 5.280 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.300 -7.520 5.557 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.780 -9.093 4.511 1.00 0.00 C ATOM 321 CZ PHE A 22 5.067 -8.559 4.649 1.00 0.00 C ATOM 0 H PHE A 22 1.301 -9.105 8.243 1.00 0.00 H new ATOM 0 HA PHE A 22 3.218 -7.018 8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.897 -7.528 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.658 -5.949 6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.424 -6.210 7.026 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.733 -8.997 5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.293 -7.109 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.601 -9.896 3.811 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.880 -8.949 4.055 1.00 0.00 H new ATOM 331 N LYS A 23 0.295 -6.523 9.933 1.00 0.00 N ATOM 332 CA LYS A 23 -0.508 -5.554 10.732 1.00 0.00 C ATOM 333 C LYS A 23 0.398 -4.824 11.729 1.00 0.00 C ATOM 334 O LYS A 23 0.056 -3.775 12.236 1.00 0.00 O ATOM 335 CB LYS A 23 -1.597 -6.310 11.496 1.00 0.00 C ATOM 336 CG LYS A 23 -2.959 -5.680 11.200 1.00 0.00 C ATOM 337 CD LYS A 23 -4.012 -6.284 12.130 1.00 0.00 C ATOM 338 CE LYS A 23 -5.404 -6.080 11.527 1.00 0.00 C ATOM 339 NZ LYS A 23 -5.790 -4.645 11.641 1.00 0.00 N ATOM 0 H LYS A 23 -0.061 -7.479 9.925 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.964 -4.825 10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.599 -7.360 11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.394 -6.278 12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.911 -4.600 11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.234 -5.854 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.819 -7.347 12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.957 -5.814 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.407 -6.386 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.131 -6.705 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.736 -4.506 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.803 -4.367 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.101 -4.058 11.128 1.00 0.00 H new ATOM 353 N ALA A 24 1.547 -5.371 12.017 1.00 0.00 N ATOM 354 CA ALA A 24 2.464 -4.707 12.986 1.00 0.00 C ATOM 355 C ALA A 24 3.352 -3.697 12.254 1.00 0.00 C ATOM 356 O ALA A 24 3.561 -2.592 12.714 1.00 0.00 O ATOM 357 CB ALA A 24 3.341 -5.763 13.660 1.00 0.00 C ATOM 0 H ALA A 24 1.890 -6.248 11.624 1.00 0.00 H new ATOM 0 HA ALA A 24 1.874 -4.185 13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.013 -5.279 14.369 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.709 -6.478 14.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.927 -6.286 12.904 1.00 0.00 H new ATOM 363 N ALA A 25 3.883 -4.068 11.120 1.00 0.00 N ATOM 364 CA ALA A 25 4.761 -3.127 10.366 1.00 0.00 C ATOM 365 C ALA A 25 3.902 -2.089 9.638 1.00 0.00 C ATOM 366 O ALA A 25 4.404 -1.122 9.100 1.00 0.00 O ATOM 367 CB ALA A 25 5.588 -3.910 9.345 1.00 0.00 C ATOM 0 H ALA A 25 3.747 -4.980 10.684 1.00 0.00 H new ATOM 0 HA ALA A 25 5.427 -2.618 11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.230 -3.223 8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.204 -4.646 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.921 -4.420 8.650 1.00 0.00 H new ATOM 373 N PHE A 26 2.610 -2.278 9.619 1.00 0.00 N ATOM 374 CA PHE A 26 1.722 -1.300 8.928 1.00 0.00 C ATOM 375 C PHE A 26 1.301 -0.214 9.920 1.00 0.00 C ATOM 376 O PHE A 26 1.572 0.955 9.728 1.00 0.00 O ATOM 377 CB PHE A 26 0.483 -2.024 8.396 1.00 0.00 C ATOM 378 CG PHE A 26 -0.499 -1.015 7.843 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.297 -0.464 6.573 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.613 -0.636 8.602 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.208 0.468 6.061 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.524 0.297 8.090 1.00 0.00 C ATOM 383 CZ PHE A 26 -2.322 0.848 6.819 1.00 0.00 C ATOM 0 H PHE A 26 2.131 -3.068 10.052 1.00 0.00 H new ATOM 0 HA PHE A 26 2.255 -0.843 8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.769 -2.731 7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.016 -2.601 9.194 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.562 -0.758 5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.770 -1.063 9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.051 0.894 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.382 0.591 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.025 1.566 6.423 1.00 0.00 H new ATOM 393 N ASP A 27 0.648 -0.591 10.987 1.00 0.00 N ATOM 394 CA ASP A 27 0.223 0.422 11.993 1.00 0.00 C ATOM 395 C ASP A 27 1.466 1.008 12.667 1.00 0.00 C ATOM 396 O ASP A 27 1.397 2.003 13.360 1.00 0.00 O ATOM 397 CB ASP A 27 -0.663 -0.244 13.049 1.00 0.00 C ATOM 398 CG ASP A 27 -2.076 0.336 12.970 1.00 0.00 C ATOM 399 OD1 ASP A 27 -2.623 0.366 11.880 1.00 0.00 O ATOM 400 OD2 ASP A 27 -2.588 0.740 14.001 1.00 0.00 O ATOM 0 H ASP A 27 0.392 -1.554 11.204 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.339 1.215 11.500 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.691 -1.322 12.888 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.247 -0.081 14.043 1.00 0.00 H new ATOM 405 N MET A 28 2.601 0.397 12.463 1.00 0.00 N ATOM 406 CA MET A 28 3.852 0.914 13.085 1.00 0.00 C ATOM 407 C MET A 28 3.988 2.408 12.788 1.00 0.00 C ATOM 408 O MET A 28 4.185 3.212 13.677 1.00 0.00 O ATOM 409 CB MET A 28 5.054 0.166 12.505 1.00 0.00 C ATOM 410 CG MET A 28 6.031 -0.183 13.629 1.00 0.00 C ATOM 411 SD MET A 28 7.137 1.219 13.924 1.00 0.00 S ATOM 412 CE MET A 28 6.642 1.540 15.635 1.00 0.00 C ATOM 0 H MET A 28 2.716 -0.440 11.891 1.00 0.00 H new ATOM 0 HA MET A 28 3.814 0.761 14.163 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.722 -0.743 12.003 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.551 0.781 11.755 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.483 -0.425 14.539 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.610 -1.067 13.361 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.210 2.384 16.026 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.578 1.773 15.668 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.839 0.657 16.243 1.00 0.00 H new ATOM 422 N PHE A 29 3.881 2.786 11.545 1.00 0.00 N ATOM 423 CA PHE A 29 4.000 4.227 11.193 1.00 0.00 C ATOM 424 C PHE A 29 2.661 4.921 11.444 1.00 0.00 C ATOM 425 O PHE A 29 2.532 5.738 12.335 1.00 0.00 O ATOM 426 CB PHE A 29 4.379 4.366 9.717 1.00 0.00 C ATOM 427 CG PHE A 29 5.721 5.046 9.606 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.856 4.447 10.167 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.831 6.276 8.948 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.102 5.078 10.068 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.077 6.908 8.850 1.00 0.00 C ATOM 432 CZ PHE A 29 8.212 6.309 9.410 1.00 0.00 C ATOM 0 H PHE A 29 3.716 2.159 10.758 1.00 0.00 H new ATOM 0 HA PHE A 29 4.772 4.689 11.808 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.417 3.384 9.246 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.621 4.944 9.188 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.770 3.498 10.676 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.956 6.738 8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.978 4.615 10.499 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.162 7.857 8.342 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.173 6.797 9.334 1.00 0.00 H new ATOM 442 N ASP A 30 1.662 4.602 10.670 1.00 0.00 N ATOM 443 CA ASP A 30 0.333 5.242 10.868 1.00 0.00 C ATOM 444 C ASP A 30 -0.268 4.766 12.191 1.00 0.00 C ATOM 445 O ASP A 30 -0.623 3.613 12.343 1.00 0.00 O ATOM 446 CB ASP A 30 -0.598 4.857 9.716 1.00 0.00 C ATOM 447 CG ASP A 30 -0.711 6.027 8.738 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.256 7.047 9.126 1.00 0.00 O ATOM 449 OD2 ASP A 30 -0.249 5.883 7.618 1.00 0.00 O ATOM 0 H ASP A 30 1.709 3.925 9.908 1.00 0.00 H new ATOM 0 HA ASP A 30 0.451 6.325 10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.213 3.976 9.202 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.583 4.596 10.102 1.00 0.00 H new ATOM 454 N ALA A 31 -0.383 5.642 13.151 1.00 0.00 N ATOM 455 CA ALA A 31 -0.960 5.238 14.464 1.00 0.00 C ATOM 456 C ALA A 31 -2.176 6.111 14.776 1.00 0.00 C ATOM 457 O ALA A 31 -3.253 5.619 15.049 1.00 0.00 O ATOM 458 CB ALA A 31 0.094 5.418 15.559 1.00 0.00 C ATOM 0 H ALA A 31 -0.102 6.620 13.083 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.266 4.193 14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.326 5.123 16.521 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.961 4.796 15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.399 6.464 15.602 1.00 0.00 H new ATOM 464 N ASP A 32 -2.013 7.406 14.738 1.00 0.00 N ATOM 465 CA ASP A 32 -3.161 8.311 15.030 1.00 0.00 C ATOM 466 C ASP A 32 -3.846 8.702 13.720 1.00 0.00 C ATOM 467 O ASP A 32 -5.025 8.993 13.686 1.00 0.00 O ATOM 468 CB ASP A 32 -2.652 9.570 15.736 1.00 0.00 C ATOM 469 CG ASP A 32 -2.073 9.191 17.100 1.00 0.00 C ATOM 470 OD1 ASP A 32 -2.635 8.314 17.736 1.00 0.00 O ATOM 471 OD2 ASP A 32 -1.079 9.782 17.485 1.00 0.00 O ATOM 0 H ASP A 32 -1.135 7.876 14.517 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.875 7.797 15.674 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.890 10.058 15.128 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.466 10.284 15.860 1.00 0.00 H new ATOM 476 N GLY A 33 -3.115 8.707 12.639 1.00 0.00 N ATOM 477 CA GLY A 33 -3.726 9.076 11.330 1.00 0.00 C ATOM 478 C GLY A 33 -4.980 8.232 11.100 1.00 0.00 C ATOM 479 O GLY A 33 -5.923 8.663 10.466 1.00 0.00 O ATOM 0 H GLY A 33 -2.123 8.472 12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.981 10.136 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.011 8.913 10.523 1.00 0.00 H new ATOM 483 N GLY A 34 -5.000 7.032 11.612 1.00 0.00 N ATOM 484 CA GLY A 34 -6.195 6.162 11.424 1.00 0.00 C ATOM 485 C GLY A 34 -5.831 4.976 10.528 1.00 0.00 C ATOM 486 O GLY A 34 -6.582 4.597 9.652 1.00 0.00 O ATOM 0 H GLY A 34 -4.241 6.617 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.553 5.805 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.007 6.734 10.975 1.00 0.00 H new ATOM 490 N GLY A 35 -4.688 4.386 10.742 1.00 0.00 N ATOM 491 CA GLY A 35 -4.281 3.224 9.902 1.00 0.00 C ATOM 492 C GLY A 35 -4.427 3.587 8.423 1.00 0.00 C ATOM 493 O GLY A 35 -5.325 3.125 7.747 1.00 0.00 O ATOM 0 H GLY A 35 -4.018 4.658 11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.249 2.948 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.899 2.357 10.137 1.00 0.00 H new ATOM 497 N ASP A 36 -3.553 4.410 7.916 1.00 0.00 N ATOM 498 CA ASP A 36 -3.643 4.801 6.482 1.00 0.00 C ATOM 499 C ASP A 36 -2.494 5.752 6.138 1.00 0.00 C ATOM 500 O ASP A 36 -2.369 6.820 6.703 1.00 0.00 O ATOM 501 CB ASP A 36 -4.979 5.503 6.228 1.00 0.00 C ATOM 502 CG ASP A 36 -5.376 6.311 7.465 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.525 7.008 7.993 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.527 6.220 7.863 1.00 0.00 O ATOM 0 H ASP A 36 -2.780 4.829 8.433 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.576 3.910 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.897 6.160 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.750 4.768 5.998 1.00 0.00 H new ATOM 509 N ILE A 37 -1.655 5.372 5.213 1.00 0.00 N ATOM 510 CA ILE A 37 -0.516 6.255 4.833 1.00 0.00 C ATOM 511 C ILE A 37 -0.969 7.219 3.735 1.00 0.00 C ATOM 512 O ILE A 37 -1.770 6.877 2.888 1.00 0.00 O ATOM 513 CB ILE A 37 0.643 5.402 4.314 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.703 4.091 5.099 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.959 6.162 4.491 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.054 2.977 4.276 1.00 0.00 C ATOM 0 H ILE A 37 -1.709 4.489 4.705 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.187 6.820 5.705 1.00 0.00 H new ATOM 0 HB ILE A 37 0.488 5.187 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.739 3.836 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.187 4.201 6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.784 5.553 4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.918 7.096 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.114 6.379 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.096 2.041 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.986 3.233 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.589 2.862 3.334 1.00 0.00 H new ATOM 528 N SER A 38 -0.461 8.420 3.742 1.00 0.00 N ATOM 529 CA SER A 38 -0.863 9.404 2.697 1.00 0.00 C ATOM 530 C SER A 38 0.300 9.617 1.728 1.00 0.00 C ATOM 531 O SER A 38 1.419 9.223 1.992 1.00 0.00 O ATOM 532 CB SER A 38 -1.221 10.734 3.361 1.00 0.00 C ATOM 533 OG SER A 38 -1.748 10.484 4.659 1.00 0.00 O ATOM 0 H SER A 38 0.214 8.763 4.425 1.00 0.00 H new ATOM 0 HA SER A 38 -1.728 9.025 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.337 11.368 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.952 11.271 2.756 1.00 0.00 H new ATOM 0 HG SER A 38 -1.977 11.335 5.088 1.00 0.00 H new ATOM 539 N THR A 39 0.049 10.239 0.609 1.00 0.00 N ATOM 540 CA THR A 39 1.147 10.473 -0.369 1.00 0.00 C ATOM 541 C THR A 39 2.130 11.491 0.209 1.00 0.00 C ATOM 542 O THR A 39 3.234 11.646 -0.274 1.00 0.00 O ATOM 543 CB THR A 39 0.572 11.014 -1.679 1.00 0.00 C ATOM 544 OG1 THR A 39 0.471 12.428 -1.600 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.811 10.413 -1.926 1.00 0.00 C ATOM 0 H THR A 39 -0.866 10.594 0.331 1.00 0.00 H new ATOM 0 HA THR A 39 1.660 9.531 -0.564 1.00 0.00 H new ATOM 0 HB THR A 39 1.231 10.741 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.104 12.777 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.215 10.802 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.730 9.328 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.476 10.680 -1.104 1.00 0.00 H new ATOM 553 N LYS A 40 1.739 12.189 1.240 1.00 0.00 N ATOM 554 CA LYS A 40 2.652 13.197 1.846 1.00 0.00 C ATOM 555 C LYS A 40 3.870 12.483 2.436 1.00 0.00 C ATOM 556 O LYS A 40 4.979 12.630 1.961 1.00 0.00 O ATOM 557 CB LYS A 40 1.917 13.952 2.956 1.00 0.00 C ATOM 558 CG LYS A 40 2.795 15.096 3.465 1.00 0.00 C ATOM 559 CD LYS A 40 3.193 14.826 4.917 1.00 0.00 C ATOM 560 CE LYS A 40 4.595 15.382 5.173 1.00 0.00 C ATOM 561 NZ LYS A 40 4.596 16.854 4.940 1.00 0.00 N ATOM 0 H LYS A 40 0.827 12.104 1.688 1.00 0.00 H new ATOM 0 HA LYS A 40 2.975 13.903 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.973 14.345 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.676 13.273 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.686 15.189 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.257 16.041 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.477 15.291 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.173 13.755 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.903 15.165 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.316 14.898 4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.448 17.272 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.590 17.044 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.750 17.275 5.375 1.00 0.00 H new ATOM 575 N GLU A 41 3.670 11.708 3.466 1.00 0.00 N ATOM 576 CA GLU A 41 4.813 10.981 4.084 1.00 0.00 C ATOM 577 C GLU A 41 5.333 9.928 3.104 1.00 0.00 C ATOM 578 O GLU A 41 6.492 9.564 3.126 1.00 0.00 O ATOM 579 CB GLU A 41 4.345 10.296 5.369 1.00 0.00 C ATOM 580 CG GLU A 41 4.335 11.311 6.514 1.00 0.00 C ATOM 581 CD GLU A 41 4.345 10.571 7.852 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.720 9.526 7.933 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.975 11.062 8.774 1.00 0.00 O ATOM 0 H GLU A 41 2.764 11.547 3.906 1.00 0.00 H new ATOM 0 HA GLU A 41 5.611 11.686 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.347 9.880 5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.006 9.464 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.204 11.965 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.452 11.946 6.444 1.00 0.00 H new ATOM 590 N LEU A 42 4.484 9.437 2.243 1.00 0.00 N ATOM 591 CA LEU A 42 4.925 8.410 1.257 1.00 0.00 C ATOM 592 C LEU A 42 5.983 9.016 0.333 1.00 0.00 C ATOM 593 O LEU A 42 6.937 8.367 -0.047 1.00 0.00 O ATOM 594 CB LEU A 42 3.719 7.954 0.427 1.00 0.00 C ATOM 595 CG LEU A 42 4.151 6.913 -0.612 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.823 7.614 -1.794 1.00 0.00 C ATOM 597 CD2 LEU A 42 5.135 5.926 0.021 1.00 0.00 C ATOM 0 H LEU A 42 3.501 9.704 2.180 1.00 0.00 H new ATOM 0 HA LEU A 42 5.349 7.554 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.958 7.530 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.268 8.811 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 42 3.272 6.372 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.129 6.872 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.120 8.311 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.699 8.160 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.439 5.188 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.013 6.465 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.655 5.421 0.859 1.00 0.00 H new ATOM 609 N GLY A 43 5.819 10.257 -0.032 1.00 0.00 N ATOM 610 CA GLY A 43 6.814 10.907 -0.930 1.00 0.00 C ATOM 611 C GLY A 43 8.150 11.035 -0.200 1.00 0.00 C ATOM 612 O GLY A 43 9.205 10.902 -0.786 1.00 0.00 O ATOM 0 H GLY A 43 5.039 10.849 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.939 10.318 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.457 11.891 -1.234 1.00 0.00 H new ATOM 616 N THR A 44 8.112 11.293 1.079 1.00 0.00 N ATOM 617 CA THR A 44 9.380 11.428 1.848 1.00 0.00 C ATOM 618 C THR A 44 9.924 10.037 2.183 1.00 0.00 C ATOM 619 O THR A 44 11.092 9.871 2.471 1.00 0.00 O ATOM 620 CB THR A 44 9.112 12.199 3.143 1.00 0.00 C ATOM 621 OG1 THR A 44 8.114 11.526 3.898 1.00 0.00 O ATOM 622 CG2 THR A 44 8.634 13.613 2.807 1.00 0.00 C ATOM 0 H THR A 44 7.258 11.416 1.623 1.00 0.00 H new ATOM 0 HA THR A 44 10.113 11.969 1.249 1.00 0.00 H new ATOM 0 HB THR A 44 10.030 12.257 3.727 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.781 10.758 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.443 14.161 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.401 14.129 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.716 13.557 2.222 1.00 0.00 H new ATOM 630 N VAL A 45 9.088 9.036 2.143 1.00 0.00 N ATOM 631 CA VAL A 45 9.562 7.658 2.455 1.00 0.00 C ATOM 632 C VAL A 45 10.426 7.154 1.297 1.00 0.00 C ATOM 633 O VAL A 45 11.469 6.566 1.499 1.00 0.00 O ATOM 634 CB VAL A 45 8.357 6.731 2.649 1.00 0.00 C ATOM 635 CG1 VAL A 45 8.814 5.272 2.597 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.718 7.013 4.012 1.00 0.00 C ATOM 0 H VAL A 45 8.098 9.113 1.908 1.00 0.00 H new ATOM 0 HA VAL A 45 10.151 7.668 3.372 1.00 0.00 H new ATOM 0 HB VAL A 45 7.631 6.910 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.954 4.616 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.273 5.069 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.540 5.090 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.860 6.356 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.448 6.832 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.390 8.052 4.052 1.00 0.00 H new ATOM 646 N MET A 46 10.000 7.385 0.086 1.00 0.00 N ATOM 647 CA MET A 46 10.800 6.928 -1.084 1.00 0.00 C ATOM 648 C MET A 46 11.811 8.015 -1.453 1.00 0.00 C ATOM 649 O MET A 46 12.825 7.754 -2.069 1.00 0.00 O ATOM 650 CB MET A 46 9.869 6.671 -2.272 1.00 0.00 C ATOM 651 CG MET A 46 10.276 5.372 -2.971 1.00 0.00 C ATOM 652 SD MET A 46 10.014 3.976 -1.851 1.00 0.00 S ATOM 653 CE MET A 46 8.311 4.374 -1.385 1.00 0.00 C ATOM 0 H MET A 46 9.133 7.870 -0.144 1.00 0.00 H new ATOM 0 HA MET A 46 11.325 6.007 -0.833 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.836 6.604 -1.930 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.919 7.504 -2.973 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.690 5.237 -3.880 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.323 5.420 -3.270 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.808 3.471 -1.039 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.316 5.116 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.782 4.775 -2.249 1.00 0.00 H new ATOM 663 N ARG A 47 11.542 9.235 -1.073 1.00 0.00 N ATOM 664 CA ARG A 47 12.484 10.344 -1.395 1.00 0.00 C ATOM 665 C ARG A 47 13.826 10.083 -0.710 1.00 0.00 C ATOM 666 O ARG A 47 14.878 10.279 -1.286 1.00 0.00 O ATOM 667 CB ARG A 47 11.904 11.667 -0.890 1.00 0.00 C ATOM 668 CG ARG A 47 12.954 12.773 -1.023 1.00 0.00 C ATOM 669 CD ARG A 47 13.680 12.953 0.313 1.00 0.00 C ATOM 670 NE ARG A 47 15.149 12.830 0.099 1.00 0.00 N ATOM 671 CZ ARG A 47 15.968 12.943 1.110 1.00 0.00 C ATOM 672 NH1 ARG A 47 15.509 12.901 2.330 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.246 13.100 0.899 1.00 0.00 N ATOM 0 H ARG A 47 10.709 9.511 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 47 12.629 10.399 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.013 11.927 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.597 11.567 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.669 12.518 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.477 13.708 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.444 13.928 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.341 12.203 1.027 1.00 0.00 H new ATOM 0 HE ARG A 47 15.515 12.658 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.510 12.780 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.149 12.989 3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.605 13.134 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.886 13.188 1.688 1.00 0.00 H new ATOM 687 N MET A 48 13.798 9.638 0.516 1.00 0.00 N ATOM 688 CA MET A 48 15.070 9.361 1.238 1.00 0.00 C ATOM 689 C MET A 48 15.741 8.130 0.626 1.00 0.00 C ATOM 690 O MET A 48 16.933 8.110 0.395 1.00 0.00 O ATOM 691 CB MET A 48 14.770 9.098 2.715 1.00 0.00 C ATOM 692 CG MET A 48 15.814 9.801 3.584 1.00 0.00 C ATOM 693 SD MET A 48 15.080 10.227 5.183 1.00 0.00 S ATOM 694 CE MET A 48 15.166 8.576 5.918 1.00 0.00 C ATOM 0 H MET A 48 12.948 9.454 1.049 1.00 0.00 H new ATOM 0 HA MET A 48 15.735 10.220 1.151 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.772 9.459 2.964 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.779 8.026 2.913 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.678 9.152 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 48 16.172 10.701 3.085 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.757 8.606 6.928 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.588 7.878 5.313 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.205 8.249 5.957 1.00 0.00 H new ATOM 704 N LEU A 49 14.981 7.101 0.361 1.00 0.00 N ATOM 705 CA LEU A 49 15.574 5.871 -0.235 1.00 0.00 C ATOM 706 C LEU A 49 15.530 5.966 -1.761 1.00 0.00 C ATOM 707 O LEU A 49 15.694 4.985 -2.458 1.00 0.00 O ATOM 708 CB LEU A 49 14.774 4.649 0.223 1.00 0.00 C ATOM 709 CG LEU A 49 14.354 4.830 1.682 1.00 0.00 C ATOM 710 CD1 LEU A 49 13.556 3.609 2.140 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.601 4.979 2.556 1.00 0.00 C ATOM 0 H LEU A 49 13.976 7.060 0.532 1.00 0.00 H new ATOM 0 HA LEU A 49 16.610 5.774 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.893 4.521 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.376 3.747 0.116 1.00 0.00 H new ATOM 0 HG LEU A 49 13.736 5.723 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.257 3.739 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.668 3.501 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.174 2.716 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.303 5.108 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.219 4.086 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.171 5.849 2.231 1.00 0.00 H new ATOM 723 N GLY A 50 15.308 7.140 -2.287 1.00 0.00 N ATOM 724 CA GLY A 50 15.255 7.291 -3.770 1.00 0.00 C ATOM 725 C GLY A 50 15.525 8.749 -4.150 1.00 0.00 C ATOM 726 O GLY A 50 16.632 9.236 -4.039 1.00 0.00 O ATOM 0 H GLY A 50 15.161 7.999 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.994 6.640 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.278 6.983 -4.142 1.00 0.00 H new ATOM 730 N GLN A 51 14.519 9.447 -4.600 1.00 0.00 N ATOM 731 CA GLN A 51 14.708 10.873 -4.993 1.00 0.00 C ATOM 732 C GLN A 51 13.460 11.639 -4.605 1.00 0.00 C ATOM 733 O GLN A 51 12.393 11.065 -4.515 1.00 0.00 O ATOM 734 CB GLN A 51 14.862 10.987 -6.512 1.00 0.00 C ATOM 735 CG GLN A 51 15.198 9.622 -7.118 1.00 0.00 C ATOM 736 CD GLN A 51 16.633 9.238 -6.755 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.534 10.047 -6.849 1.00 0.00 O ATOM 738 NE2 GLN A 51 16.884 8.026 -6.341 1.00 0.00 N ATOM 0 H GLN A 51 13.570 9.090 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 51 15.597 11.266 -4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.940 11.369 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.649 11.702 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.504 8.868 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.083 9.656 -8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.127 7.347 -6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 51 17.837 7.758 -6.096 1.00 0.00 H new ATOM 747 N ASN A 52 13.535 12.924 -4.408 1.00 0.00 N ATOM 748 CA ASN A 52 12.273 13.611 -4.079 1.00 0.00 C ATOM 749 C ASN A 52 11.408 13.510 -5.334 1.00 0.00 C ATOM 750 O ASN A 52 11.851 13.860 -6.410 1.00 0.00 O ATOM 751 CB ASN A 52 12.549 15.081 -3.764 1.00 0.00 C ATOM 752 CG ASN A 52 13.641 15.177 -2.697 1.00 0.00 C ATOM 753 OD1 ASN A 52 14.755 14.744 -2.913 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.367 15.727 -1.548 1.00 0.00 N ATOM 0 H ASN A 52 14.375 13.500 -4.458 1.00 0.00 H new ATOM 0 HA ASN A 52 11.786 13.166 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.861 15.605 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.638 15.566 -3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.088 15.794 -0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.431 16.091 -1.367 1.00 0.00 H new ATOM 761 N PRO A 53 10.208 13.038 -5.174 1.00 0.00 N ATOM 762 CA PRO A 53 9.271 12.886 -6.290 1.00 0.00 C ATOM 763 C PRO A 53 8.381 14.127 -6.421 1.00 0.00 C ATOM 764 O PRO A 53 8.656 15.165 -5.851 1.00 0.00 O ATOM 765 CB PRO A 53 8.450 11.672 -5.860 1.00 0.00 C ATOM 766 CG PRO A 53 8.552 11.597 -4.314 1.00 0.00 C ATOM 767 CD PRO A 53 9.687 12.544 -3.892 1.00 0.00 C ATOM 0 HA PRO A 53 9.755 12.766 -7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.412 11.774 -6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.835 10.761 -6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.611 11.893 -3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.760 10.577 -3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.320 13.358 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.454 12.023 -3.320 1.00 0.00 H new ATOM 775 N THR A 54 7.311 14.025 -7.163 1.00 0.00 N ATOM 776 CA THR A 54 6.400 15.192 -7.325 1.00 0.00 C ATOM 777 C THR A 54 5.209 15.028 -6.382 1.00 0.00 C ATOM 778 O THR A 54 4.941 13.950 -5.888 1.00 0.00 O ATOM 779 CB THR A 54 5.899 15.253 -8.770 1.00 0.00 C ATOM 780 OG1 THR A 54 6.990 15.054 -9.657 1.00 0.00 O ATOM 781 CG2 THR A 54 5.264 16.619 -9.036 1.00 0.00 C ATOM 0 H THR A 54 7.029 13.182 -7.664 1.00 0.00 H new ATOM 0 HA THR A 54 6.935 16.112 -7.089 1.00 0.00 H new ATOM 0 HB THR A 54 5.155 14.473 -8.929 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.670 15.091 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.908 16.660 -10.065 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.426 16.769 -8.356 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.005 17.402 -8.877 1.00 0.00 H new ATOM 789 N LYS A 55 4.490 16.083 -6.126 1.00 0.00 N ATOM 790 CA LYS A 55 3.318 15.978 -5.214 1.00 0.00 C ATOM 791 C LYS A 55 2.262 15.073 -5.843 1.00 0.00 C ATOM 792 O LYS A 55 1.553 14.362 -5.159 1.00 0.00 O ATOM 793 CB LYS A 55 2.716 17.364 -4.993 1.00 0.00 C ATOM 794 CG LYS A 55 1.481 17.250 -4.097 1.00 0.00 C ATOM 795 CD LYS A 55 1.824 16.424 -2.855 1.00 0.00 C ATOM 796 CE LYS A 55 1.245 17.105 -1.614 1.00 0.00 C ATOM 797 NZ LYS A 55 2.022 18.343 -1.321 1.00 0.00 N ATOM 0 H LYS A 55 4.662 17.013 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 55 3.642 15.561 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.453 18.022 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.444 17.810 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.139 18.242 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.664 16.780 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.420 15.416 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.905 16.325 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.196 17.351 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.285 16.427 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.941 18.573 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.022 18.191 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.646 19.131 -1.886 1.00 0.00 H new ATOM 811 N GLU A 56 2.146 15.101 -7.140 1.00 0.00 N ATOM 812 CA GLU A 56 1.129 14.248 -7.810 1.00 0.00 C ATOM 813 C GLU A 56 1.748 12.895 -8.164 1.00 0.00 C ATOM 814 O GLU A 56 1.057 11.949 -8.488 1.00 0.00 O ATOM 815 CB GLU A 56 0.644 14.939 -9.087 1.00 0.00 C ATOM 816 CG GLU A 56 -0.583 14.207 -9.632 1.00 0.00 C ATOM 817 CD GLU A 56 -0.837 14.640 -11.078 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.591 15.796 -11.381 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.275 13.809 -11.856 1.00 0.00 O ATOM 0 H GLU A 56 2.711 15.677 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 56 0.285 14.094 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.396 15.980 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.438 14.945 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.426 13.129 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.455 14.429 -9.017 1.00 0.00 H new ATOM 826 N GLU A 57 3.048 12.798 -8.114 1.00 0.00 N ATOM 827 CA GLU A 57 3.714 11.508 -8.455 1.00 0.00 C ATOM 828 C GLU A 57 3.347 10.444 -7.417 1.00 0.00 C ATOM 829 O GLU A 57 3.326 9.264 -7.707 1.00 0.00 O ATOM 830 CB GLU A 57 5.230 11.705 -8.465 1.00 0.00 C ATOM 831 CG GLU A 57 5.918 10.349 -8.646 1.00 0.00 C ATOM 832 CD GLU A 57 7.367 10.564 -9.084 1.00 0.00 C ATOM 833 OE1 GLU A 57 7.846 11.679 -8.955 1.00 0.00 O ATOM 834 OE2 GLU A 57 7.975 9.610 -9.540 1.00 0.00 O ATOM 0 H GLU A 57 3.678 13.556 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 57 3.380 11.181 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.515 12.380 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.554 12.168 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.889 9.788 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.386 9.757 -9.391 1.00 0.00 H new ATOM 841 N LEU A 58 3.058 10.848 -6.210 1.00 0.00 N ATOM 842 CA LEU A 58 2.693 9.852 -5.163 1.00 0.00 C ATOM 843 C LEU A 58 1.180 9.634 -5.179 1.00 0.00 C ATOM 844 O LEU A 58 0.670 8.711 -4.575 1.00 0.00 O ATOM 845 CB LEU A 58 3.122 10.370 -3.784 1.00 0.00 C ATOM 846 CG LEU A 58 4.653 10.445 -3.689 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.291 9.252 -4.408 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.142 11.746 -4.330 1.00 0.00 C ATOM 0 H LEU A 58 3.059 11.821 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 58 3.201 8.909 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.692 11.357 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.735 9.712 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 58 4.942 10.420 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.376 9.319 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.952 8.325 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.000 9.262 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.229 11.799 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.842 11.771 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.704 12.596 -3.807 1.00 0.00 H new ATOM 860 N ASP A 59 0.457 10.474 -5.870 1.00 0.00 N ATOM 861 CA ASP A 59 -1.022 10.311 -5.927 1.00 0.00 C ATOM 862 C ASP A 59 -1.382 9.332 -7.046 1.00 0.00 C ATOM 863 O ASP A 59 -2.378 8.639 -6.983 1.00 0.00 O ATOM 864 CB ASP A 59 -1.676 11.666 -6.203 1.00 0.00 C ATOM 865 CG ASP A 59 -3.122 11.647 -5.702 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.437 10.786 -4.897 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.888 12.492 -6.132 1.00 0.00 O ATOM 0 H ASP A 59 0.827 11.265 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.382 9.923 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.118 12.459 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.653 11.882 -7.271 1.00 0.00 H new ATOM 872 N ALA A 60 -0.575 9.263 -8.070 1.00 0.00 N ATOM 873 CA ALA A 60 -0.868 8.323 -9.188 1.00 0.00 C ATOM 874 C ALA A 60 -0.855 6.891 -8.655 1.00 0.00 C ATOM 875 O ALA A 60 -1.737 6.103 -8.935 1.00 0.00 O ATOM 876 CB ALA A 60 0.197 8.471 -10.276 1.00 0.00 C ATOM 0 H ALA A 60 0.274 9.817 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.847 8.550 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.019 7.782 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.193 9.494 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.178 8.242 -9.859 1.00 0.00 H new ATOM 882 N ILE A 61 0.139 6.552 -7.881 1.00 0.00 N ATOM 883 CA ILE A 61 0.211 5.173 -7.320 1.00 0.00 C ATOM 884 C ILE A 61 -0.858 5.025 -6.241 1.00 0.00 C ATOM 885 O ILE A 61 -1.480 3.990 -6.103 1.00 0.00 O ATOM 886 CB ILE A 61 1.586 4.930 -6.695 1.00 0.00 C ATOM 887 CG1 ILE A 61 2.641 5.768 -7.412 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.954 3.454 -6.814 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.042 6.930 -6.510 1.00 0.00 C ATOM 0 H ILE A 61 0.905 7.170 -7.613 1.00 0.00 H new ATOM 0 HA ILE A 61 0.049 4.449 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 61 1.549 5.215 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.512 5.156 -7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.247 6.142 -8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.934 3.286 -6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.210 2.850 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.981 3.169 -7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.796 7.537 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.167 7.543 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.450 6.542 -5.577 1.00 0.00 H new ATOM 901 N ILE A 62 -1.074 6.055 -5.470 1.00 0.00 N ATOM 902 CA ILE A 62 -2.102 5.972 -4.399 1.00 0.00 C ATOM 903 C ILE A 62 -3.493 6.104 -5.024 1.00 0.00 C ATOM 904 O ILE A 62 -4.499 5.928 -4.366 1.00 0.00 O ATOM 905 CB ILE A 62 -1.881 7.095 -3.383 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.675 6.752 -2.504 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.125 7.247 -2.503 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.051 5.631 -1.531 1.00 0.00 C ATOM 0 H ILE A 62 -0.584 6.947 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.022 5.012 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.697 8.030 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.164 6.441 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.352 7.634 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.964 8.047 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.985 7.489 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.313 6.313 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.192 5.388 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.877 5.959 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.352 4.747 -2.093 1.00 0.00 H new ATOM 920 N GLU A 63 -3.559 6.412 -6.290 1.00 0.00 N ATOM 921 CA GLU A 63 -4.885 6.549 -6.955 1.00 0.00 C ATOM 922 C GLU A 63 -5.300 5.193 -7.523 1.00 0.00 C ATOM 923 O GLU A 63 -6.465 4.932 -7.750 1.00 0.00 O ATOM 924 CB GLU A 63 -4.787 7.571 -8.089 1.00 0.00 C ATOM 925 CG GLU A 63 -6.049 7.498 -8.951 1.00 0.00 C ATOM 926 CD GLU A 63 -6.440 8.906 -9.405 1.00 0.00 C ATOM 927 OE1 GLU A 63 -5.707 9.477 -10.195 1.00 0.00 O ATOM 928 OE2 GLU A 63 -7.467 9.388 -8.955 1.00 0.00 O ATOM 0 H GLU A 63 -2.752 6.575 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.626 6.887 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.671 8.574 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.905 7.371 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.874 6.861 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.864 7.048 -8.384 1.00 0.00 H new ATOM 935 N GLU A 64 -4.353 4.323 -7.749 1.00 0.00 N ATOM 936 CA GLU A 64 -4.685 2.980 -8.297 1.00 0.00 C ATOM 937 C GLU A 64 -4.959 2.012 -7.142 1.00 0.00 C ATOM 938 O GLU A 64 -5.253 0.852 -7.349 1.00 0.00 O ATOM 939 CB GLU A 64 -3.507 2.465 -9.127 1.00 0.00 C ATOM 940 CG GLU A 64 -2.261 2.373 -8.243 1.00 0.00 C ATOM 941 CD GLU A 64 -1.199 1.526 -8.944 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.108 1.608 -10.158 1.00 0.00 O ATOM 943 OE2 GLU A 64 -0.491 0.810 -8.254 1.00 0.00 O ATOM 0 H GLU A 64 -3.361 4.487 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.571 3.052 -8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.743 1.486 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.321 3.133 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.871 3.371 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.517 1.930 -7.280 1.00 0.00 H new ATOM 950 N VAL A 65 -4.862 2.481 -5.928 1.00 0.00 N ATOM 951 CA VAL A 65 -5.115 1.590 -4.761 1.00 0.00 C ATOM 952 C VAL A 65 -6.089 2.276 -3.800 1.00 0.00 C ATOM 953 O VAL A 65 -7.048 1.685 -3.345 1.00 0.00 O ATOM 954 CB VAL A 65 -3.796 1.313 -4.038 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.983 0.287 -4.832 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.997 2.612 -3.921 1.00 0.00 C ATOM 0 H VAL A 65 -4.618 3.443 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.545 0.650 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.004 0.921 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.043 0.090 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.551 -0.639 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.775 0.679 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.057 2.416 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.790 3.003 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.574 3.344 -3.356 1.00 0.00 H new ATOM 966 N ASP A 66 -5.849 3.521 -3.489 1.00 0.00 N ATOM 967 CA ASP A 66 -6.758 4.248 -2.559 1.00 0.00 C ATOM 968 C ASP A 66 -8.213 3.971 -2.944 1.00 0.00 C ATOM 969 O ASP A 66 -8.827 3.041 -2.461 1.00 0.00 O ATOM 970 CB ASP A 66 -6.481 5.751 -2.645 1.00 0.00 C ATOM 971 CG ASP A 66 -7.510 6.510 -1.803 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.823 6.041 -0.721 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.966 7.547 -2.254 1.00 0.00 O ATOM 0 H ASP A 66 -5.061 4.066 -3.840 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.583 3.906 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.474 5.967 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.530 6.082 -3.683 1.00 0.00 H new ATOM 978 N GLU A 67 -8.773 4.772 -3.811 1.00 0.00 N ATOM 979 CA GLU A 67 -10.189 4.548 -4.220 1.00 0.00 C ATOM 980 C GLU A 67 -10.499 5.368 -5.475 1.00 0.00 C ATOM 981 O GLU A 67 -10.636 4.835 -6.558 1.00 0.00 O ATOM 982 CB GLU A 67 -11.122 4.977 -3.087 1.00 0.00 C ATOM 983 CG GLU A 67 -12.272 3.973 -2.964 1.00 0.00 C ATOM 984 CD GLU A 67 -13.169 4.069 -4.199 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.994 4.966 -4.239 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.016 3.243 -5.084 1.00 0.00 O ATOM 0 H GLU A 67 -8.313 5.568 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.339 3.490 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.571 5.031 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.515 5.974 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.877 2.962 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.852 4.177 -2.064 1.00 0.00 H new ATOM 993 N ASP A 68 -10.617 6.662 -5.342 1.00 0.00 N ATOM 994 CA ASP A 68 -10.925 7.505 -6.531 1.00 0.00 C ATOM 995 C ASP A 68 -9.928 8.663 -6.617 1.00 0.00 C ATOM 996 O ASP A 68 -10.014 9.504 -7.490 1.00 0.00 O ATOM 997 CB ASP A 68 -12.344 8.063 -6.406 1.00 0.00 C ATOM 998 CG ASP A 68 -12.682 8.883 -7.652 1.00 0.00 C ATOM 999 OD1 ASP A 68 -12.822 8.290 -8.708 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -12.795 10.091 -7.529 1.00 0.00 O ATOM 0 H ASP A 68 -10.514 7.170 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.849 6.897 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.058 7.247 -6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.424 8.686 -5.515 1.00 0.00 H new ATOM 1005 N GLY A 69 -8.978 8.714 -5.722 1.00 0.00 N ATOM 1006 CA GLY A 69 -7.977 9.819 -5.762 1.00 0.00 C ATOM 1007 C GLY A 69 -8.121 10.693 -4.515 1.00 0.00 C ATOM 1008 O GLY A 69 -8.643 11.789 -4.570 1.00 0.00 O ATOM 0 H GLY A 69 -8.852 8.040 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.969 9.407 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.122 10.422 -6.659 1.00 0.00 H new ATOM 1012 N SER A 70 -7.655 10.220 -3.391 1.00 0.00 N ATOM 1013 CA SER A 70 -7.757 11.027 -2.142 1.00 0.00 C ATOM 1014 C SER A 70 -6.354 11.301 -1.600 1.00 0.00 C ATOM 1015 O SER A 70 -6.142 12.215 -0.829 1.00 0.00 O ATOM 1016 CB SER A 70 -8.564 10.254 -1.098 1.00 0.00 C ATOM 1017 OG SER A 70 -9.479 11.138 -0.464 1.00 0.00 O ATOM 0 H SER A 70 -7.208 9.309 -3.284 1.00 0.00 H new ATOM 0 HA SER A 70 -8.256 11.971 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.102 9.433 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.896 9.812 -0.359 1.00 0.00 H new ATOM 0 HG SER A 70 -9.999 10.646 0.205 1.00 0.00 H new ATOM 1023 N GLY A 71 -5.392 10.512 -1.998 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.001 10.724 -1.508 1.00 0.00 C ATOM 1025 C GLY A 71 -3.787 9.921 -0.223 1.00 0.00 C ATOM 1026 O GLY A 71 -2.980 10.276 0.614 1.00 0.00 O ATOM 0 H GLY A 71 -5.510 9.730 -2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.284 10.413 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.827 11.784 -1.321 1.00 0.00 H new ATOM 1030 N THR A 72 -4.503 8.842 -0.061 1.00 0.00 N ATOM 1031 CA THR A 72 -4.340 8.016 1.169 1.00 0.00 C ATOM 1032 C THR A 72 -4.883 6.607 0.915 1.00 0.00 C ATOM 1033 O THR A 72 -5.567 6.360 -0.058 1.00 0.00 O ATOM 1034 CB THR A 72 -5.110 8.659 2.326 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.526 7.649 3.234 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.335 9.399 1.785 1.00 0.00 C ATOM 0 H THR A 72 -5.194 8.497 -0.727 1.00 0.00 H new ATOM 0 HA THR A 72 -3.283 7.957 1.427 1.00 0.00 H new ATOM 0 HB THR A 72 -4.462 9.369 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.018 8.059 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.879 9.855 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.014 10.175 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.986 8.695 1.266 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.580 5.681 1.784 1.00 0.00 N ATOM 1045 CA ILE A 73 -5.076 4.287 1.598 1.00 0.00 C ATOM 1046 C ILE A 73 -5.365 3.669 2.969 1.00 0.00 C ATOM 1047 O ILE A 73 -5.404 4.353 3.971 1.00 0.00 O ATOM 1048 CB ILE A 73 -4.012 3.453 0.875 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.617 3.996 1.203 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -4.245 3.527 -0.635 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.555 3.073 0.602 1.00 0.00 C ATOM 0 H ILE A 73 -4.009 5.830 2.616 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.988 4.301 1.001 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.082 2.417 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.505 5.004 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.486 4.063 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.489 2.934 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.235 3.135 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.178 4.564 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.563 3.459 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.663 2.073 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.682 3.028 -0.480 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.568 2.381 3.022 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.853 1.726 4.331 1.00 0.00 C ATOM 1065 C ASP A 74 -4.858 0.585 4.552 1.00 0.00 C ATOM 1066 O ASP A 74 -3.770 0.586 4.011 1.00 0.00 O ATOM 1067 CB ASP A 74 -7.278 1.170 4.327 1.00 0.00 C ATOM 1068 CG ASP A 74 -8.033 1.689 5.553 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.849 2.846 5.892 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.782 0.919 6.132 1.00 0.00 O ATOM 0 H ASP A 74 -5.549 1.755 2.217 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.755 2.457 5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.794 1.470 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.254 0.080 4.336 1.00 0.00 H new ATOM 1075 N PHE A 75 -5.218 -0.389 5.342 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.286 -1.523 5.594 1.00 0.00 C ATOM 1077 C PHE A 75 -4.531 -2.623 4.550 1.00 0.00 C ATOM 1078 O PHE A 75 -3.665 -3.426 4.265 1.00 0.00 O ATOM 1079 CB PHE A 75 -4.501 -2.046 7.032 1.00 0.00 C ATOM 1080 CG PHE A 75 -5.157 -3.411 7.037 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.479 -3.557 6.600 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -4.439 -4.530 7.480 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -7.084 -4.820 6.606 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -5.044 -5.792 7.487 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.366 -5.937 7.050 1.00 0.00 C ATOM 0 H PHE A 75 -6.116 -0.448 5.823 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.251 -1.195 5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.542 -2.101 7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.121 -1.342 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.033 -2.695 6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.419 -4.418 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.104 -4.932 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.491 -6.654 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.832 -6.911 7.055 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.705 -2.663 3.980 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.003 -3.706 2.959 1.00 0.00 C ATOM 1097 C GLU A 76 -5.634 -3.178 1.570 1.00 0.00 C ATOM 1098 O GLU A 76 -5.197 -3.916 0.711 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.494 -4.049 2.998 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.316 -2.759 3.035 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.786 -3.083 2.762 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.323 -3.935 3.451 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.352 -2.473 1.869 1.00 0.00 O ATOM 0 H GLU A 76 -6.470 -2.018 4.178 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.421 -4.602 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.765 -4.640 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.715 -4.658 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.213 -2.277 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.943 -2.056 2.290 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.805 -1.904 1.346 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.462 -1.329 0.015 1.00 0.00 C ATOM 1112 C GLU A 77 -3.942 -1.223 -0.116 1.00 0.00 C ATOM 1113 O GLU A 77 -3.390 -1.366 -1.189 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.083 0.063 -0.117 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.524 0.031 0.396 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.187 1.386 0.138 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.739 2.362 0.718 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -9.129 1.425 -0.635 1.00 0.00 O ATOM 0 H GLU A 77 -6.167 -1.237 2.027 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.852 -1.975 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.500 0.788 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.064 0.384 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.082 -0.760 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.537 -0.195 1.462 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.258 -0.977 0.967 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.775 -0.868 0.898 1.00 0.00 C ATOM 1127 C PHE A 78 -1.170 -2.269 0.792 1.00 0.00 C ATOM 1128 O PHE A 78 0.010 -2.431 0.551 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.250 -0.177 2.157 1.00 0.00 C ATOM 1130 CG PHE A 78 0.180 0.256 1.932 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.528 0.937 0.759 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.157 -0.025 2.895 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.853 1.338 0.549 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.482 0.376 2.684 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.829 1.058 1.511 1.00 0.00 C ATOM 0 H PHE A 78 -3.661 -0.847 1.895 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.494 -0.281 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.870 0.687 2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.307 -0.856 3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.226 1.153 0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.889 -0.551 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.121 1.863 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.236 0.159 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.851 1.368 1.349 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.971 -3.285 0.972 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.444 -4.675 0.883 1.00 0.00 C ATOM 1147 C LEU A 79 -1.490 -5.147 -0.572 1.00 0.00 C ATOM 1148 O LEU A 79 -0.651 -5.907 -1.015 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.302 -5.601 1.748 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.469 -6.123 2.918 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.279 -6.015 4.210 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.103 -7.588 2.668 1.00 0.00 C ATOM 0 H LEU A 79 -2.967 -3.211 1.177 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.414 -4.697 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.174 -5.064 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.672 -6.434 1.151 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.559 -5.530 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.685 -6.387 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.542 -4.972 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.189 -6.608 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.509 -7.962 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.014 -8.180 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.526 -7.667 1.747 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.462 -4.703 -1.320 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.560 -5.128 -2.744 1.00 0.00 C ATOM 1166 C VAL A 80 -1.311 -4.669 -3.500 1.00 0.00 C ATOM 1167 O VAL A 80 -0.893 -5.285 -4.460 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.804 -4.504 -3.380 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -5.059 -5.126 -2.766 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -3.807 -2.996 -3.122 1.00 0.00 C ATOM 0 H VAL A 80 -3.193 -4.064 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.635 -6.214 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.794 -4.690 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.945 -4.681 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.059 -6.201 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.069 -4.940 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.693 -2.551 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.817 -2.811 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.913 -2.550 -3.559 1.00 0.00 H new ATOM 1180 N MET A 81 -0.711 -3.590 -3.076 1.00 0.00 N ATOM 1181 CA MET A 81 0.510 -3.093 -3.771 1.00 0.00 C ATOM 1182 C MET A 81 1.735 -3.861 -3.265 1.00 0.00 C ATOM 1183 O MET A 81 2.738 -3.960 -3.944 1.00 0.00 O ATOM 1184 CB MET A 81 0.691 -1.601 -3.484 1.00 0.00 C ATOM 1185 CG MET A 81 1.459 -0.949 -4.636 1.00 0.00 C ATOM 1186 SD MET A 81 2.958 -0.161 -3.996 1.00 0.00 S ATOM 1187 CE MET A 81 2.175 0.743 -2.639 1.00 0.00 C ATOM 0 H MET A 81 -1.014 -3.031 -2.278 1.00 0.00 H new ATOM 0 HA MET A 81 0.402 -3.246 -4.845 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.281 -1.122 -3.364 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.232 -1.463 -2.548 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.720 -1.699 -5.383 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.831 -0.210 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.751 1.642 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.161 1.022 -2.925 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.141 0.110 -1.752 1.00 0.00 H new ATOM 1197 N MET A 82 1.662 -4.405 -2.082 1.00 0.00 N ATOM 1198 CA MET A 82 2.824 -5.165 -1.539 1.00 0.00 C ATOM 1199 C MET A 82 2.899 -6.533 -2.219 1.00 0.00 C ATOM 1200 O MET A 82 3.966 -7.071 -2.438 1.00 0.00 O ATOM 1201 CB MET A 82 2.653 -5.357 -0.031 1.00 0.00 C ATOM 1202 CG MET A 82 4.026 -5.334 0.645 1.00 0.00 C ATOM 1203 SD MET A 82 4.719 -7.007 0.659 1.00 0.00 S ATOM 1204 CE MET A 82 6.043 -6.693 1.852 1.00 0.00 C ATOM 0 H MET A 82 0.849 -4.357 -1.468 1.00 0.00 H new ATOM 0 HA MET A 82 3.742 -4.609 -1.732 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.021 -4.568 0.378 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.152 -6.304 0.171 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.694 -4.656 0.113 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.935 -4.958 1.664 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.611 -7.609 2.015 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.706 -5.919 1.465 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.611 -6.362 2.796 1.00 0.00 H new ATOM 1214 N VAL A 83 1.773 -7.101 -2.554 1.00 0.00 N ATOM 1215 CA VAL A 83 1.778 -8.433 -3.220 1.00 0.00 C ATOM 1216 C VAL A 83 2.488 -8.325 -4.571 1.00 0.00 C ATOM 1217 O VAL A 83 3.108 -9.261 -5.034 1.00 0.00 O ATOM 1218 CB VAL A 83 0.337 -8.896 -3.437 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.329 -10.139 -4.330 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.298 -9.234 -2.086 1.00 0.00 C ATOM 0 H VAL A 83 0.849 -6.699 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 83 2.302 -9.153 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.232 -8.100 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.698 -10.469 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.782 -9.899 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.898 -10.935 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.325 -9.564 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.271 -10.030 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.292 -8.349 -1.450 1.00 0.00 H new ATOM 1230 N ARG A 84 2.398 -7.189 -5.205 1.00 0.00 N ATOM 1231 CA ARG A 84 3.065 -7.017 -6.526 1.00 0.00 C ATOM 1232 C ARG A 84 4.577 -6.919 -6.327 1.00 0.00 C ATOM 1233 O ARG A 84 5.308 -7.860 -6.568 1.00 0.00 O ATOM 1234 CB ARG A 84 2.555 -5.735 -7.186 1.00 0.00 C ATOM 1235 CG ARG A 84 1.816 -6.083 -8.478 1.00 0.00 C ATOM 1236 CD ARG A 84 1.025 -4.865 -8.956 1.00 0.00 C ATOM 1237 NE ARG A 84 0.458 -5.140 -10.304 1.00 0.00 N ATOM 1238 CZ ARG A 84 -0.292 -4.248 -10.889 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.580 -4.240 -10.680 1.00 0.00 N ATOM 1240 NH2 ARG A 84 0.246 -3.362 -11.683 1.00 0.00 N ATOM 0 H ARG A 84 1.891 -6.372 -4.865 1.00 0.00 H new ATOM 0 HA ARG A 84 2.839 -7.872 -7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.889 -5.204 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.390 -5.068 -7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.527 -6.392 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.143 -6.924 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.224 -4.639 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.673 -3.989 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 84 0.656 -6.025 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.000 -4.931 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.167 -3.542 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.253 -3.368 -11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.341 -2.664 -12.141 1.00 0.00 H new ATOM 1254 N GLN A 85 5.053 -5.786 -5.892 1.00 0.00 N ATOM 1255 CA GLN A 85 6.518 -5.625 -5.678 1.00 0.00 C ATOM 1256 C GLN A 85 6.885 -6.109 -4.275 1.00 0.00 C ATOM 1257 O GLN A 85 6.915 -5.344 -3.331 1.00 0.00 O ATOM 1258 CB GLN A 85 6.891 -4.148 -5.822 1.00 0.00 C ATOM 1259 CG GLN A 85 8.408 -3.986 -5.691 1.00 0.00 C ATOM 1260 CD GLN A 85 8.900 -2.962 -6.715 1.00 0.00 C ATOM 1261 OE1 GLN A 85 9.476 -1.956 -6.355 1.00 0.00 O ATOM 1262 NE2 GLN A 85 8.696 -3.177 -7.986 1.00 0.00 N ATOM 0 H GLN A 85 4.490 -4.964 -5.675 1.00 0.00 H new ATOM 0 HA GLN A 85 7.062 -6.213 -6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.557 -3.771 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.385 -3.558 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.664 -3.660 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.902 -4.944 -5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.212 -4.022 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.021 -2.500 -8.676 1.00 0.00 H new