USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 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 6 GLN : amide:sc= -0.503 K(o=-2.4,f=-3) USER MOD Set 1.2: A 7 GLN : amide:sc= -1.94! C(o=-2.4!,f=-8.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -111:sc= -0.15 (180deg=-2.9!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.19 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0196) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.2!) USER MOD Single : A 52 ASN : amide:sc=-0.00934 K(o=-0.0093,f=-0.79) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00211 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -91:sc= 0.239 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 177:sc= -2.32! (180deg=-2.49!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.046) USER MOD Single : A 86 MET CE :methyl -140:sc= -5.83! (180deg=-7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.304 5.622 -10.783 1.00 0.00 N ATOM 56 CA ASP A 5 -14.775 7.001 -10.611 1.00 0.00 C ATOM 57 C ASP A 5 -13.804 7.041 -9.397 1.00 0.00 C ATOM 58 O ASP A 5 -13.821 8.003 -8.614 1.00 0.00 O ATOM 59 CB ASP A 5 -15.930 8.037 -10.468 1.00 0.00 C ATOM 60 CG ASP A 5 -16.959 7.751 -9.362 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.567 7.248 -8.286 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.163 8.022 -9.569 1.00 0.00 O ATOM 0 HA ASP A 5 -14.217 7.281 -11.505 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.491 9.018 -10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.457 8.098 -11.420 1.00 0.00 H new ATOM 67 N GLN A 6 -12.944 6.015 -9.266 1.00 0.00 N ATOM 68 CA GLN A 6 -12.006 5.873 -8.121 1.00 0.00 C ATOM 69 C GLN A 6 -10.707 6.658 -8.453 1.00 0.00 C ATOM 70 O GLN A 6 -10.078 7.240 -7.561 1.00 0.00 O ATOM 71 CB GLN A 6 -11.735 4.370 -7.829 1.00 0.00 C ATOM 72 CG GLN A 6 -10.853 3.617 -8.855 1.00 0.00 C ATOM 73 CD GLN A 6 -10.249 2.302 -8.332 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.607 1.818 -7.258 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.324 1.702 -9.066 1.00 0.00 N ATOM 0 H GLN A 6 -12.874 5.258 -9.946 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.439 6.291 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.262 4.292 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.694 3.857 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.451 3.401 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.043 4.274 -9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.034 2.110 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.902 0.831 -8.743 1.00 0.00 H new ATOM 84 N GLN A 7 -10.307 6.635 -9.738 1.00 0.00 N ATOM 85 CA GLN A 7 -9.031 7.242 -10.204 1.00 0.00 C ATOM 86 C GLN A 7 -9.212 8.783 -10.267 1.00 0.00 C ATOM 87 O GLN A 7 -8.260 9.540 -10.044 1.00 0.00 O ATOM 88 CB GLN A 7 -8.612 6.701 -11.601 1.00 0.00 C ATOM 89 CG GLN A 7 -9.597 5.733 -12.295 1.00 0.00 C ATOM 90 CD GLN A 7 -9.101 4.277 -12.285 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.362 3.861 -11.392 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.494 3.474 -13.262 1.00 0.00 N ATOM 0 H GLN A 7 -10.850 6.200 -10.484 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.240 6.977 -9.502 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.450 7.553 -12.261 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.653 6.193 -11.496 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.565 5.787 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.751 6.054 -13.325 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.106 3.827 -13.997 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.185 2.502 -13.279 1.00 0.00 H new ATOM 101 N ALA A 8 -10.444 9.231 -10.573 1.00 0.00 N ATOM 102 CA ALA A 8 -10.779 10.677 -10.673 1.00 0.00 C ATOM 103 C ALA A 8 -10.382 11.407 -9.360 1.00 0.00 C ATOM 104 O ALA A 8 -9.913 12.551 -9.392 1.00 0.00 O ATOM 105 CB ALA A 8 -12.281 10.827 -10.983 1.00 0.00 C ATOM 0 H ALA A 8 -11.234 8.613 -10.758 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.216 11.139 -11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.533 11.885 -11.058 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.509 10.332 -11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.865 10.370 -10.184 1.00 0.00 H new ATOM 111 N GLU A 9 -10.564 10.720 -8.217 1.00 0.00 N ATOM 112 CA GLU A 9 -10.324 11.299 -6.869 1.00 0.00 C ATOM 113 C GLU A 9 -8.795 11.386 -6.616 1.00 0.00 C ATOM 114 O GLU A 9 -8.304 12.369 -6.047 1.00 0.00 O ATOM 115 CB GLU A 9 -11.047 10.487 -5.755 1.00 0.00 C ATOM 116 CG GLU A 9 -10.512 9.061 -5.484 1.00 0.00 C ATOM 117 CD GLU A 9 -10.277 8.779 -3.998 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.137 9.743 -3.213 1.00 0.00 O ATOM 119 OE2 GLU A 9 -10.225 7.592 -3.607 1.00 0.00 O ATOM 0 H GLU A 9 -10.880 9.751 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.746 12.304 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.990 11.055 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.102 10.412 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.221 8.333 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.577 8.921 -6.026 1.00 0.00 H new ATOM 126 N ALA A 10 -8.060 10.333 -7.019 1.00 0.00 N ATOM 127 CA ALA A 10 -6.587 10.253 -6.835 1.00 0.00 C ATOM 128 C ALA A 10 -5.886 11.446 -7.543 1.00 0.00 C ATOM 129 O ALA A 10 -4.784 11.849 -7.150 1.00 0.00 O ATOM 130 CB ALA A 10 -6.087 8.896 -7.370 1.00 0.00 C ATOM 0 H ALA A 10 -8.461 9.516 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.340 10.320 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.007 8.829 -7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.570 8.088 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.330 8.811 -8.429 1.00 0.00 H new ATOM 136 N ARG A 11 -6.528 11.973 -8.602 1.00 0.00 N ATOM 137 CA ARG A 11 -5.997 13.113 -9.396 1.00 0.00 C ATOM 138 C ARG A 11 -6.096 14.396 -8.524 1.00 0.00 C ATOM 139 O ARG A 11 -5.075 15.000 -8.174 1.00 0.00 O ATOM 140 CB ARG A 11 -6.787 13.272 -10.726 1.00 0.00 C ATOM 141 CG ARG A 11 -7.291 11.950 -11.351 1.00 0.00 C ATOM 142 CD ARG A 11 -7.114 11.911 -12.881 1.00 0.00 C ATOM 143 NE ARG A 11 -7.545 13.180 -13.519 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.030 13.680 -14.661 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.594 12.879 -15.624 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.999 14.987 -14.882 1.00 0.00 N ATOM 0 H ARG A 11 -7.427 11.627 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.956 12.932 -9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.644 13.921 -10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.150 13.779 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.752 11.114 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.345 11.816 -11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.068 11.721 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.691 11.083 -13.293 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.284 13.713 -13.061 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.645 11.867 -15.508 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.208 13.275 -16.481 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.368 15.631 -14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.606 15.348 -15.751 1.00 0.00 H new ATOM 160 N ALA A 12 -7.338 14.810 -8.210 1.00 0.00 N ATOM 161 CA ALA A 12 -7.609 16.078 -7.479 1.00 0.00 C ATOM 162 C ALA A 12 -6.693 16.182 -6.230 1.00 0.00 C ATOM 163 O ALA A 12 -6.346 17.286 -5.792 1.00 0.00 O ATOM 164 CB ALA A 12 -9.102 16.140 -7.100 1.00 0.00 C ATOM 0 H ALA A 12 -8.180 14.286 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.384 16.931 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.303 17.068 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.709 16.104 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.351 15.292 -6.462 1.00 0.00 H new ATOM 170 N PHE A 13 -6.340 15.021 -5.646 1.00 0.00 N ATOM 171 CA PHE A 13 -5.507 14.952 -4.416 1.00 0.00 C ATOM 172 C PHE A 13 -4.019 15.211 -4.776 1.00 0.00 C ATOM 173 O PHE A 13 -3.351 16.044 -4.152 1.00 0.00 O ATOM 174 CB PHE A 13 -5.739 13.576 -3.725 1.00 0.00 C ATOM 175 CG PHE A 13 -5.139 13.447 -2.310 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.817 13.017 -2.140 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.914 13.740 -1.182 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.281 12.882 -0.862 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.375 13.604 0.095 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.060 13.175 0.254 1.00 0.00 C ATOM 0 H PHE A 13 -6.618 14.108 -6.005 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.795 15.727 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.812 13.392 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.316 12.794 -4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.211 12.789 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.934 14.073 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.261 12.550 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.977 13.831 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.644 13.069 1.245 1.00 0.00 H new ATOM 190 N LEU A 14 -3.517 14.479 -5.789 1.00 0.00 N ATOM 191 CA LEU A 14 -2.087 14.514 -6.194 1.00 0.00 C ATOM 192 C LEU A 14 -1.939 15.535 -7.354 1.00 0.00 C ATOM 193 O LEU A 14 -2.411 15.294 -8.471 1.00 0.00 O ATOM 194 CB LEU A 14 -1.593 13.093 -6.605 1.00 0.00 C ATOM 195 CG LEU A 14 -2.062 11.890 -5.737 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.983 10.548 -6.495 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.256 11.799 -4.426 1.00 0.00 C ATOM 0 H LEU A 14 -4.085 13.846 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.464 14.828 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.910 12.911 -7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.503 13.103 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.109 12.076 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.321 9.742 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.619 10.592 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.953 10.361 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.607 10.949 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.199 11.669 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.392 12.715 -3.851 1.00 0.00 H new ATOM 209 N SER A 15 -1.250 16.658 -7.076 1.00 0.00 N ATOM 210 CA SER A 15 -1.003 17.730 -8.076 1.00 0.00 C ATOM 211 C SER A 15 -0.079 17.196 -9.204 1.00 0.00 C ATOM 212 O SER A 15 0.085 15.981 -9.364 1.00 0.00 O ATOM 213 CB SER A 15 -0.411 18.969 -7.366 1.00 0.00 C ATOM 214 OG SER A 15 0.998 18.849 -7.199 1.00 0.00 O ATOM 0 H SER A 15 -0.848 16.853 -6.159 1.00 0.00 H new ATOM 0 HA SER A 15 -1.939 18.034 -8.544 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.635 19.864 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.885 19.093 -6.392 1.00 0.00 H new ATOM 0 HG SER A 15 1.343 19.648 -6.749 1.00 0.00 H new ATOM 220 N GLU A 16 0.493 18.122 -9.996 1.00 0.00 N ATOM 221 CA GLU A 16 1.373 17.779 -11.145 1.00 0.00 C ATOM 222 C GLU A 16 2.797 17.471 -10.605 1.00 0.00 C ATOM 223 O GLU A 16 3.483 16.579 -11.118 1.00 0.00 O ATOM 224 CB GLU A 16 1.343 18.916 -12.206 1.00 0.00 C ATOM 225 CG GLU A 16 2.444 18.877 -13.292 1.00 0.00 C ATOM 226 CD GLU A 16 2.037 19.517 -14.623 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.198 20.445 -14.616 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.556 19.097 -15.681 1.00 0.00 O ATOM 0 H GLU A 16 0.364 19.125 -9.864 1.00 0.00 H new ATOM 0 HA GLU A 16 1.016 16.886 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.373 18.893 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.412 19.871 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.330 19.386 -12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.725 17.839 -13.472 1.00 0.00 H new ATOM 235 N GLU A 17 3.216 18.226 -9.566 1.00 0.00 N ATOM 236 CA GLU A 17 4.592 18.123 -9.007 1.00 0.00 C ATOM 237 C GLU A 17 4.702 16.779 -8.237 1.00 0.00 C ATOM 238 O GLU A 17 5.760 16.140 -8.228 1.00 0.00 O ATOM 239 CB GLU A 17 4.940 19.366 -8.136 1.00 0.00 C ATOM 240 CG GLU A 17 5.071 20.718 -8.875 1.00 0.00 C ATOM 241 CD GLU A 17 6.045 21.701 -8.217 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.235 21.629 -6.983 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.628 22.547 -8.932 1.00 0.00 O ATOM 0 H GLU A 17 2.627 18.913 -9.095 1.00 0.00 H new ATOM 0 HA GLU A 17 5.333 18.121 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.172 19.470 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.880 19.168 -7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.397 20.530 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.087 21.184 -8.935 1.00 0.00 H new ATOM 250 N MET A 18 3.584 16.351 -7.621 1.00 0.00 N ATOM 251 CA MET A 18 3.514 15.083 -6.847 1.00 0.00 C ATOM 252 C MET A 18 3.484 13.904 -7.859 1.00 0.00 C ATOM 253 O MET A 18 4.044 12.833 -7.595 1.00 0.00 O ATOM 254 CB MET A 18 2.288 15.069 -5.891 1.00 0.00 C ATOM 255 CG MET A 18 2.578 14.678 -4.429 1.00 0.00 C ATOM 256 SD MET A 18 1.478 15.581 -3.317 1.00 0.00 S ATOM 257 CE MET A 18 2.471 15.642 -1.811 1.00 0.00 C ATOM 0 H MET A 18 2.704 16.867 -7.641 1.00 0.00 H new ATOM 0 HA MET A 18 4.390 14.985 -6.206 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.835 16.060 -5.898 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.547 14.377 -6.292 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.441 13.605 -4.297 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.617 14.899 -4.184 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.920 16.171 -1.033 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.687 14.627 -1.476 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.406 16.164 -2.013 1.00 0.00 H new ATOM 267 N ILE A 19 2.818 14.117 -9.009 1.00 0.00 N ATOM 268 CA ILE A 19 2.595 13.060 -10.033 1.00 0.00 C ATOM 269 C ILE A 19 3.998 12.604 -10.519 1.00 0.00 C ATOM 270 O ILE A 19 4.189 11.430 -10.863 1.00 0.00 O ATOM 271 CB ILE A 19 1.628 13.544 -11.179 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.125 13.262 -10.859 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.998 12.944 -12.563 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.242 13.202 -9.367 1.00 0.00 C ATOM 0 H ILE A 19 2.418 15.021 -9.261 1.00 0.00 H new ATOM 0 HA ILE A 19 2.073 12.200 -9.614 1.00 0.00 H new ATOM 0 HB ILE A 19 1.764 14.624 -11.230 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.479 14.037 -11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.154 12.315 -11.321 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.300 13.310 -13.316 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.011 13.244 -12.830 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.942 11.856 -12.515 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.308 13.001 -9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.326 12.407 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.004 14.155 -8.895 1.00 0.00 H new ATOM 286 N ALA A 20 4.961 13.542 -10.579 1.00 0.00 N ATOM 287 CA ALA A 20 6.317 13.285 -11.137 1.00 0.00 C ATOM 288 C ALA A 20 7.087 12.257 -10.264 1.00 0.00 C ATOM 289 O ALA A 20 7.933 11.509 -10.771 1.00 0.00 O ATOM 290 CB ALA A 20 7.074 14.624 -11.245 1.00 0.00 C ATOM 0 H ALA A 20 4.830 14.497 -10.246 1.00 0.00 H new ATOM 0 HA ALA A 20 6.230 12.850 -12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.069 14.447 -11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.527 15.299 -11.903 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.162 15.073 -10.256 1.00 0.00 H new ATOM 296 N GLU A 21 6.805 12.252 -8.948 1.00 0.00 N ATOM 297 CA GLU A 21 7.540 11.414 -7.962 1.00 0.00 C ATOM 298 C GLU A 21 7.244 9.918 -8.256 1.00 0.00 C ATOM 299 O GLU A 21 8.125 9.061 -8.114 1.00 0.00 O ATOM 300 CB GLU A 21 7.178 11.848 -6.513 1.00 0.00 C ATOM 301 CG GLU A 21 8.049 12.964 -5.889 1.00 0.00 C ATOM 302 CD GLU A 21 9.371 12.469 -5.293 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.384 12.050 -4.114 1.00 0.00 O ATOM 304 OE2 GLU A 21 10.403 12.501 -5.999 1.00 0.00 O ATOM 0 H GLU A 21 6.068 12.822 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 21 8.617 11.556 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.140 12.181 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.236 10.970 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.265 13.711 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.476 13.463 -5.108 1.00 0.00 H new ATOM 311 N PHE A 22 5.989 9.617 -8.636 1.00 0.00 N ATOM 312 CA PHE A 22 5.509 8.224 -8.844 1.00 0.00 C ATOM 313 C PHE A 22 5.832 7.786 -10.299 1.00 0.00 C ATOM 314 O PHE A 22 6.068 6.601 -10.563 1.00 0.00 O ATOM 315 CB PHE A 22 3.987 8.121 -8.525 1.00 0.00 C ATOM 316 CG PHE A 22 3.603 8.387 -7.055 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.718 7.371 -6.099 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.160 9.654 -6.657 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.441 7.632 -4.759 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.884 9.913 -5.316 1.00 0.00 C ATOM 321 CZ PHE A 22 3.016 8.899 -4.370 1.00 0.00 C ATOM 0 H PHE A 22 5.275 10.325 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 22 6.023 7.547 -8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.451 8.829 -9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.642 7.124 -8.799 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.023 6.380 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.032 10.434 -7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.556 6.851 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.568 10.899 -5.010 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.788 9.096 -3.333 1.00 0.00 H new ATOM 331 N LYS A 23 5.809 8.751 -11.237 1.00 0.00 N ATOM 332 CA LYS A 23 5.982 8.491 -12.692 1.00 0.00 C ATOM 333 C LYS A 23 7.469 8.127 -12.951 1.00 0.00 C ATOM 334 O LYS A 23 7.779 7.395 -13.901 1.00 0.00 O ATOM 335 CB LYS A 23 5.552 9.723 -13.542 1.00 0.00 C ATOM 336 CG LYS A 23 6.621 10.810 -13.808 1.00 0.00 C ATOM 337 CD LYS A 23 7.571 10.512 -14.987 1.00 0.00 C ATOM 338 CE LYS A 23 7.994 11.783 -15.745 1.00 0.00 C ATOM 339 NZ LYS A 23 8.849 12.648 -14.914 1.00 0.00 N ATOM 0 H LYS A 23 5.670 9.737 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 23 5.341 7.662 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.194 9.360 -14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.706 10.197 -13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.116 11.757 -13.998 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.217 10.942 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.460 10.004 -14.613 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.081 9.827 -15.679 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.529 11.505 -16.653 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.107 12.336 -16.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.116 13.495 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.329 12.932 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.707 12.128 -14.640 1.00 0.00 H new ATOM 353 N ALA A 24 8.377 8.641 -12.102 1.00 0.00 N ATOM 354 CA ALA A 24 9.823 8.295 -12.153 1.00 0.00 C ATOM 355 C ALA A 24 10.000 6.754 -12.070 1.00 0.00 C ATOM 356 O ALA A 24 10.677 6.145 -12.908 1.00 0.00 O ATOM 357 CB ALA A 24 10.557 9.023 -11.011 1.00 0.00 C ATOM 0 H ALA A 24 8.139 9.304 -11.364 1.00 0.00 H new ATOM 0 HA ALA A 24 10.258 8.622 -13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.618 8.773 -11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.434 10.100 -11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.140 8.712 -10.053 1.00 0.00 H new ATOM 363 N ALA A 25 9.408 6.141 -11.028 1.00 0.00 N ATOM 364 CA ALA A 25 9.521 4.682 -10.769 1.00 0.00 C ATOM 365 C ALA A 25 8.421 3.886 -11.526 1.00 0.00 C ATOM 366 O ALA A 25 8.113 2.745 -11.148 1.00 0.00 O ATOM 367 CB ALA A 25 9.439 4.441 -9.246 1.00 0.00 C ATOM 0 H ALA A 25 8.839 6.635 -10.341 1.00 0.00 H new ATOM 0 HA ALA A 25 10.480 4.322 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.521 3.373 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.253 4.969 -8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.485 4.810 -8.870 1.00 0.00 H new ATOM 373 N PHE A 26 7.817 4.495 -12.561 1.00 0.00 N ATOM 374 CA PHE A 26 6.774 3.843 -13.398 1.00 0.00 C ATOM 375 C PHE A 26 7.486 3.059 -14.535 1.00 0.00 C ATOM 376 O PHE A 26 7.062 1.962 -14.913 1.00 0.00 O ATOM 377 CB PHE A 26 5.770 4.898 -13.951 1.00 0.00 C ATOM 378 CG PHE A 26 4.562 4.320 -14.717 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.554 3.629 -14.034 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.457 4.491 -16.102 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.484 3.075 -14.734 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.386 3.937 -16.800 1.00 0.00 C ATOM 383 CZ PHE A 26 2.397 3.237 -16.115 1.00 0.00 C ATOM 0 H PHE A 26 8.032 5.450 -12.847 1.00 0.00 H new ATOM 0 HA PHE A 26 6.187 3.146 -12.800 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.399 5.494 -13.117 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.309 5.576 -14.613 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.606 3.525 -12.960 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.210 5.055 -16.632 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.722 2.520 -14.206 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.323 4.051 -17.872 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.561 2.819 -16.655 1.00 0.00 H new ATOM 393 N ASP A 27 8.576 3.646 -15.066 1.00 0.00 N ATOM 394 CA ASP A 27 9.385 3.030 -16.151 1.00 0.00 C ATOM 395 C ASP A 27 10.224 1.869 -15.548 1.00 0.00 C ATOM 396 O ASP A 27 10.453 0.850 -16.211 1.00 0.00 O ATOM 397 CB ASP A 27 10.262 4.087 -16.883 1.00 0.00 C ATOM 398 CG ASP A 27 10.724 3.719 -18.303 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.996 4.022 -19.275 1.00 0.00 O ATOM 400 OD2 ASP A 27 11.819 3.132 -18.450 1.00 0.00 O ATOM 0 H ASP A 27 8.924 4.555 -14.761 1.00 0.00 H new ATOM 0 HA ASP A 27 8.724 2.621 -16.915 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.701 5.020 -16.936 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.145 4.280 -16.274 1.00 0.00 H new ATOM 405 N MET A 28 10.698 2.057 -14.300 1.00 0.00 N ATOM 406 CA MET A 28 11.524 1.045 -13.588 1.00 0.00 C ATOM 407 C MET A 28 10.793 -0.321 -13.694 1.00 0.00 C ATOM 408 O MET A 28 11.380 -1.322 -14.121 1.00 0.00 O ATOM 409 CB MET A 28 11.796 1.450 -12.111 1.00 0.00 C ATOM 410 CG MET A 28 12.366 0.343 -11.204 1.00 0.00 C ATOM 411 SD MET A 28 13.125 1.073 -9.737 1.00 0.00 S ATOM 412 CE MET A 28 12.459 0.018 -8.432 1.00 0.00 C ATOM 0 H MET A 28 10.525 2.903 -13.757 1.00 0.00 H new ATOM 0 HA MET A 28 12.507 0.975 -14.053 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.491 2.290 -12.107 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.863 1.806 -11.674 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.571 -0.342 -10.909 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.104 -0.243 -11.752 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.760 0.590 -7.823 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.941 -0.830 -8.879 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.274 -0.344 -7.805 1.00 0.00 H new ATOM 422 N PHE A 29 9.515 -0.347 -13.271 1.00 0.00 N ATOM 423 CA PHE A 29 8.697 -1.588 -13.233 1.00 0.00 C ATOM 424 C PHE A 29 8.330 -1.992 -14.687 1.00 0.00 C ATOM 425 O PHE A 29 8.136 -3.179 -14.980 1.00 0.00 O ATOM 426 CB PHE A 29 7.432 -1.387 -12.345 1.00 0.00 C ATOM 427 CG PHE A 29 7.710 -1.196 -10.840 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.746 -0.356 -10.415 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.940 -1.871 -9.885 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.007 -0.195 -9.056 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.204 -1.707 -8.527 1.00 0.00 C ATOM 432 CZ PHE A 29 8.233 -0.867 -8.114 1.00 0.00 C ATOM 0 H PHE A 29 9.017 0.482 -12.947 1.00 0.00 H new ATOM 0 HA PHE A 29 9.270 -2.398 -12.782 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.886 -0.518 -12.710 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.778 -2.250 -12.471 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.345 0.169 -11.144 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.138 -2.521 -10.202 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.810 0.451 -8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.609 -2.232 -7.794 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.432 -0.736 -7.061 1.00 0.00 H new ATOM 442 N ASP A 30 8.234 -0.994 -15.585 1.00 0.00 N ATOM 443 CA ASP A 30 7.974 -1.223 -17.031 1.00 0.00 C ATOM 444 C ASP A 30 9.132 -2.074 -17.620 1.00 0.00 C ATOM 445 O ASP A 30 9.960 -2.616 -16.878 1.00 0.00 O ATOM 446 CB ASP A 30 7.769 0.117 -17.796 1.00 0.00 C ATOM 447 CG ASP A 30 6.760 0.086 -18.957 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.947 -0.862 -19.028 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.783 1.007 -19.803 1.00 0.00 O ATOM 0 H ASP A 30 8.333 -0.009 -15.337 1.00 0.00 H new ATOM 0 HA ASP A 30 7.042 -1.775 -17.151 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.447 0.874 -17.081 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.734 0.439 -18.188 1.00 0.00 H new ATOM 454 N ALA A 31 9.191 -2.156 -18.963 1.00 0.00 N ATOM 455 CA ALA A 31 10.235 -2.931 -19.685 1.00 0.00 C ATOM 456 C ALA A 31 10.468 -2.325 -21.097 1.00 0.00 C ATOM 457 O ALA A 31 11.586 -1.917 -21.432 1.00 0.00 O ATOM 458 CB ALA A 31 9.804 -4.409 -19.758 1.00 0.00 C ATOM 0 H ALA A 31 8.524 -1.693 -19.580 1.00 0.00 H new ATOM 0 HA ALA A 31 11.183 -2.876 -19.149 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.565 -4.984 -20.286 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.686 -4.804 -18.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.856 -4.486 -20.291 1.00 0.00 H new ATOM 464 N ASP A 32 9.393 -2.278 -21.907 1.00 0.00 N ATOM 465 CA ASP A 32 9.453 -1.799 -23.314 1.00 0.00 C ATOM 466 C ASP A 32 9.307 -0.253 -23.320 1.00 0.00 C ATOM 467 O ASP A 32 10.185 0.465 -23.812 1.00 0.00 O ATOM 468 CB ASP A 32 8.394 -2.504 -24.213 1.00 0.00 C ATOM 469 CG ASP A 32 7.147 -3.044 -23.492 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.186 -4.190 -22.994 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.125 -2.325 -23.429 1.00 0.00 O ATOM 0 H ASP A 32 8.460 -2.568 -21.613 1.00 0.00 H new ATOM 0 HA ASP A 32 10.418 -2.061 -23.747 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.070 -1.799 -24.978 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.879 -3.333 -24.728 1.00 0.00 H new ATOM 476 N GLY A 33 8.198 0.245 -22.741 1.00 0.00 N ATOM 477 CA GLY A 33 7.939 1.705 -22.614 1.00 0.00 C ATOM 478 C GLY A 33 6.845 2.179 -23.608 1.00 0.00 C ATOM 479 O GLY A 33 6.948 3.259 -24.202 1.00 0.00 O ATOM 0 H GLY A 33 7.460 -0.340 -22.350 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.628 1.933 -21.594 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.861 2.256 -22.797 1.00 0.00 H new ATOM 483 N GLY A 34 5.780 1.366 -23.755 1.00 0.00 N ATOM 484 CA GLY A 34 4.604 1.727 -24.586 1.00 0.00 C ATOM 485 C GLY A 34 3.747 2.800 -23.869 1.00 0.00 C ATOM 486 O GLY A 34 3.189 3.703 -24.503 1.00 0.00 O ATOM 0 H GLY A 34 5.706 0.451 -23.309 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.936 2.104 -25.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.001 0.840 -24.779 1.00 0.00 H new ATOM 490 N GLY A 35 3.677 2.704 -22.525 1.00 0.00 N ATOM 491 CA GLY A 35 2.989 3.713 -21.682 1.00 0.00 C ATOM 492 C GLY A 35 2.289 3.023 -20.482 1.00 0.00 C ATOM 493 O GLY A 35 2.167 3.610 -19.399 1.00 0.00 O ATOM 0 H GLY A 35 4.089 1.936 -21.995 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.709 4.446 -21.319 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.255 4.255 -22.278 1.00 0.00 H new ATOM 497 N ASP A 36 1.810 1.784 -20.705 1.00 0.00 N ATOM 498 CA ASP A 36 1.119 0.975 -19.667 1.00 0.00 C ATOM 499 C ASP A 36 2.003 -0.258 -19.327 1.00 0.00 C ATOM 500 O ASP A 36 2.794 -0.714 -20.161 1.00 0.00 O ATOM 501 CB ASP A 36 -0.318 0.577 -20.111 1.00 0.00 C ATOM 502 CG ASP A 36 -1.037 1.567 -21.044 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.392 2.677 -20.588 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.253 1.235 -22.230 1.00 0.00 O ATOM 0 H ASP A 36 1.888 1.311 -21.606 1.00 0.00 H new ATOM 0 HA ASP A 36 0.989 1.571 -18.764 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.267 -0.390 -20.611 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.928 0.442 -19.218 1.00 0.00 H new ATOM 509 N ILE A 37 1.866 -0.769 -18.088 1.00 0.00 N ATOM 510 CA ILE A 37 2.623 -1.951 -17.597 1.00 0.00 C ATOM 511 C ILE A 37 1.850 -3.245 -17.973 1.00 0.00 C ATOM 512 O ILE A 37 0.748 -3.185 -18.536 1.00 0.00 O ATOM 513 CB ILE A 37 2.990 -1.886 -16.068 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.794 -0.492 -15.392 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.408 -2.453 -15.809 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.560 -0.272 -14.077 1.00 0.00 C ATOM 0 H ILE A 37 1.229 -0.378 -17.394 1.00 0.00 H new ATOM 0 HA ILE A 37 3.592 -1.955 -18.097 1.00 0.00 H new ATOM 0 HB ILE A 37 2.256 -2.526 -15.578 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.096 0.280 -16.100 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.731 -0.349 -15.199 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.634 -2.395 -14.744 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.449 -3.493 -16.133 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.140 -1.870 -16.368 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.350 0.728 -13.697 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.243 -1.013 -13.343 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.630 -0.375 -14.258 1.00 0.00 H new ATOM 528 N SER A 38 2.425 -4.413 -17.630 1.00 0.00 N ATOM 529 CA SER A 38 1.768 -5.732 -17.836 1.00 0.00 C ATOM 530 C SER A 38 2.122 -6.685 -16.662 1.00 0.00 C ATOM 531 O SER A 38 2.707 -6.260 -15.659 1.00 0.00 O ATOM 532 CB SER A 38 2.186 -6.306 -19.209 1.00 0.00 C ATOM 533 OG SER A 38 3.149 -7.346 -19.067 1.00 0.00 O ATOM 0 H SER A 38 3.350 -4.477 -17.205 1.00 0.00 H new ATOM 0 HA SER A 38 0.684 -5.618 -17.843 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.307 -6.690 -19.727 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.598 -5.509 -19.828 1.00 0.00 H new ATOM 0 HG SER A 38 3.392 -7.690 -19.952 1.00 0.00 H new ATOM 539 N THR A 39 1.784 -7.978 -16.825 1.00 0.00 N ATOM 540 CA THR A 39 2.046 -9.029 -15.807 1.00 0.00 C ATOM 541 C THR A 39 3.501 -9.544 -15.983 1.00 0.00 C ATOM 542 O THR A 39 4.197 -9.820 -14.998 1.00 0.00 O ATOM 543 CB THR A 39 0.989 -10.177 -15.862 1.00 0.00 C ATOM 544 OG1 THR A 39 0.232 -10.107 -17.067 1.00 0.00 O ATOM 545 CG2 THR A 39 0.001 -10.216 -14.681 1.00 0.00 C ATOM 0 H THR A 39 1.322 -8.330 -17.663 1.00 0.00 H new ATOM 0 HA THR A 39 1.946 -8.599 -14.810 1.00 0.00 H new ATOM 0 HB THR A 39 1.584 -11.088 -15.809 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.424 -10.835 -17.084 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.691 -11.048 -14.813 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.552 -10.347 -13.750 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.558 -9.281 -14.644 1.00 0.00 H new ATOM 553 N LYS A 40 3.947 -9.670 -17.248 1.00 0.00 N ATOM 554 CA LYS A 40 5.315 -10.151 -17.580 1.00 0.00 C ATOM 555 C LYS A 40 6.343 -9.084 -17.117 1.00 0.00 C ATOM 556 O LYS A 40 7.439 -9.421 -16.654 1.00 0.00 O ATOM 557 CB LYS A 40 5.389 -10.476 -19.101 1.00 0.00 C ATOM 558 CG LYS A 40 6.516 -11.440 -19.551 1.00 0.00 C ATOM 559 CD LYS A 40 6.184 -12.940 -19.743 1.00 0.00 C ATOM 560 CE LYS A 40 7.380 -13.910 -19.846 1.00 0.00 C ATOM 561 NZ LYS A 40 8.422 -13.472 -20.793 1.00 0.00 N ATOM 0 H LYS A 40 3.380 -9.445 -18.066 1.00 0.00 H new ATOM 0 HA LYS A 40 5.557 -11.075 -17.055 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.434 -10.904 -19.405 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.506 -9.538 -19.644 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.912 -11.066 -20.495 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.320 -11.371 -18.819 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.559 -13.259 -18.909 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.585 -13.042 -20.648 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.826 -14.028 -18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.015 -14.891 -20.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.192 -14.171 -20.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.012 -13.386 -21.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.798 -12.550 -20.493 1.00 0.00 H new ATOM 575 N GLU A 41 5.970 -7.798 -17.252 1.00 0.00 N ATOM 576 CA GLU A 41 6.875 -6.654 -16.961 1.00 0.00 C ATOM 577 C GLU A 41 7.116 -6.575 -15.429 1.00 0.00 C ATOM 578 O GLU A 41 8.256 -6.416 -14.976 1.00 0.00 O ATOM 579 CB GLU A 41 6.312 -5.327 -17.549 1.00 0.00 C ATOM 580 CG GLU A 41 5.260 -5.430 -18.682 1.00 0.00 C ATOM 581 CD GLU A 41 5.185 -4.194 -19.583 1.00 0.00 C ATOM 582 OE1 GLU A 41 6.240 -3.740 -20.077 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.068 -3.674 -19.804 1.00 0.00 O ATOM 0 H GLU A 41 5.040 -7.516 -17.563 1.00 0.00 H new ATOM 0 HA GLU A 41 7.837 -6.812 -17.449 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.869 -4.759 -16.731 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.153 -4.743 -17.924 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.489 -6.301 -19.297 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.280 -5.602 -18.238 1.00 0.00 H new ATOM 590 N LEU A 42 6.026 -6.685 -14.646 1.00 0.00 N ATOM 591 CA LEU A 42 6.065 -6.521 -13.169 1.00 0.00 C ATOM 592 C LEU A 42 6.974 -7.636 -12.585 1.00 0.00 C ATOM 593 O LEU A 42 7.703 -7.415 -11.611 1.00 0.00 O ATOM 594 CB LEU A 42 4.628 -6.569 -12.566 1.00 0.00 C ATOM 595 CG LEU A 42 4.396 -5.844 -11.209 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.701 -5.661 -10.405 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.712 -4.478 -11.415 1.00 0.00 C ATOM 0 H LEU A 42 5.096 -6.889 -15.011 1.00 0.00 H new ATOM 0 HA LEU A 42 6.476 -5.546 -12.907 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.941 -6.142 -13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.350 -7.616 -12.441 1.00 0.00 H new ATOM 0 HG LEU A 42 3.737 -6.489 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.482 -5.150 -9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.138 -6.637 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.406 -5.067 -10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.563 -3.996 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.341 -3.847 -12.042 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.747 -4.624 -11.900 1.00 0.00 H new ATOM 609 N GLY A 43 6.894 -8.843 -13.177 1.00 0.00 N ATOM 610 CA GLY A 43 7.611 -10.041 -12.672 1.00 0.00 C ATOM 611 C GLY A 43 9.142 -9.797 -12.668 1.00 0.00 C ATOM 612 O GLY A 43 9.865 -10.335 -11.817 1.00 0.00 O ATOM 0 H GLY A 43 6.336 -9.020 -14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.272 -10.276 -11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.376 -10.903 -13.297 1.00 0.00 H new ATOM 616 N THR A 44 9.621 -8.985 -13.628 1.00 0.00 N ATOM 617 CA THR A 44 11.072 -8.735 -13.835 1.00 0.00 C ATOM 618 C THR A 44 11.629 -7.968 -12.604 1.00 0.00 C ATOM 619 O THR A 44 12.699 -8.303 -12.084 1.00 0.00 O ATOM 620 CB THR A 44 11.352 -7.998 -15.183 1.00 0.00 C ATOM 621 OG1 THR A 44 10.658 -8.629 -16.256 1.00 0.00 O ATOM 622 CG2 THR A 44 12.838 -7.891 -15.575 1.00 0.00 C ATOM 0 H THR A 44 9.022 -8.483 -14.283 1.00 0.00 H new ATOM 0 HA THR A 44 11.595 -9.688 -13.917 1.00 0.00 H new ATOM 0 HB THR A 44 10.994 -6.983 -15.010 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.844 -8.152 -17.092 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.927 -7.363 -16.525 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.379 -7.343 -14.804 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.261 -8.891 -15.674 1.00 0.00 H new ATOM 630 N VAL A 45 10.884 -6.940 -12.156 1.00 0.00 N ATOM 631 CA VAL A 45 11.316 -6.030 -11.061 1.00 0.00 C ATOM 632 C VAL A 45 11.251 -6.832 -9.733 1.00 0.00 C ATOM 633 O VAL A 45 12.048 -6.596 -8.816 1.00 0.00 O ATOM 634 CB VAL A 45 10.481 -4.700 -11.040 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.872 -4.352 -9.659 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.291 -3.476 -11.530 1.00 0.00 C ATOM 0 H VAL A 45 9.966 -6.711 -12.538 1.00 0.00 H new ATOM 0 HA VAL A 45 12.342 -5.696 -11.219 1.00 0.00 H new ATOM 0 HB VAL A 45 9.665 -4.908 -11.732 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.312 -3.420 -9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.203 -5.153 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.672 -4.238 -8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.663 -2.586 -11.494 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.160 -3.334 -10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.622 -3.645 -12.555 1.00 0.00 H new ATOM 646 N MET A 46 10.286 -7.766 -9.637 1.00 0.00 N ATOM 647 CA MET A 46 10.097 -8.621 -8.435 1.00 0.00 C ATOM 648 C MET A 46 11.359 -9.511 -8.276 1.00 0.00 C ATOM 649 O MET A 46 11.780 -9.815 -7.153 1.00 0.00 O ATOM 650 CB MET A 46 8.793 -9.462 -8.535 1.00 0.00 C ATOM 651 CG MET A 46 7.475 -8.684 -8.354 1.00 0.00 C ATOM 652 SD MET A 46 6.256 -9.718 -7.514 1.00 0.00 S ATOM 653 CE MET A 46 5.569 -8.554 -6.318 1.00 0.00 C ATOM 0 H MET A 46 9.616 -7.954 -10.382 1.00 0.00 H new ATOM 0 HA MET A 46 9.980 -7.999 -7.547 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.773 -9.951 -9.509 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.833 -10.250 -7.783 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.655 -7.778 -7.776 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.091 -8.372 -9.325 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.866 -9.074 -5.667 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.375 -8.131 -5.718 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.051 -7.753 -6.846 1.00 0.00 H new ATOM 663 N ARG A 47 11.932 -9.945 -9.414 1.00 0.00 N ATOM 664 CA ARG A 47 13.077 -10.895 -9.442 1.00 0.00 C ATOM 665 C ARG A 47 14.280 -10.275 -8.679 1.00 0.00 C ATOM 666 O ARG A 47 15.080 -10.999 -8.075 1.00 0.00 O ATOM 667 CB ARG A 47 13.460 -11.242 -10.908 1.00 0.00 C ATOM 668 CG ARG A 47 14.450 -12.420 -11.059 1.00 0.00 C ATOM 669 CD ARG A 47 15.544 -12.162 -12.114 1.00 0.00 C ATOM 670 NE ARG A 47 16.201 -13.419 -12.558 1.00 0.00 N ATOM 671 CZ ARG A 47 15.625 -14.362 -13.332 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.383 -14.280 -13.808 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.335 -15.432 -13.638 1.00 0.00 N ATOM 0 H ARG A 47 11.621 -9.653 -10.340 1.00 0.00 H new ATOM 0 HA ARG A 47 12.791 -11.823 -8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.550 -11.478 -11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.896 -10.358 -11.374 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.922 -12.615 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.897 -13.319 -11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.105 -11.659 -12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.294 -11.488 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 47 17.161 -13.581 -12.254 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.807 -13.467 -13.592 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.009 -15.030 -14.389 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.289 -15.527 -13.291 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.929 -16.164 -14.221 1.00 0.00 H new ATOM 687 N MET A 48 14.407 -8.935 -8.746 1.00 0.00 N ATOM 688 CA MET A 48 15.563 -8.199 -8.165 1.00 0.00 C ATOM 689 C MET A 48 15.751 -8.682 -6.700 1.00 0.00 C ATOM 690 O MET A 48 16.882 -8.760 -6.204 1.00 0.00 O ATOM 691 CB MET A 48 15.372 -6.658 -8.252 1.00 0.00 C ATOM 692 CG MET A 48 16.128 -5.950 -9.391 1.00 0.00 C ATOM 693 SD MET A 48 16.865 -4.415 -8.787 1.00 0.00 S ATOM 694 CE MET A 48 16.177 -3.213 -9.943 1.00 0.00 C ATOM 0 H MET A 48 13.721 -8.331 -9.199 1.00 0.00 H new ATOM 0 HA MET A 48 16.464 -8.414 -8.740 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.308 -6.449 -8.363 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.686 -6.218 -7.305 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.905 -6.605 -9.785 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.445 -5.736 -10.213 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.544 -2.217 -9.694 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.481 -3.469 -10.958 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.089 -3.226 -9.876 1.00 0.00 H new ATOM 704 N LEU A 49 14.631 -9.002 -6.026 1.00 0.00 N ATOM 705 CA LEU A 49 14.641 -9.498 -4.624 1.00 0.00 C ATOM 706 C LEU A 49 15.658 -10.667 -4.537 1.00 0.00 C ATOM 707 O LEU A 49 16.721 -10.545 -3.917 1.00 0.00 O ATOM 708 CB LEU A 49 13.213 -9.937 -4.180 1.00 0.00 C ATOM 709 CG LEU A 49 12.254 -8.830 -3.653 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.630 -9.229 -2.300 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.947 -7.457 -3.526 1.00 0.00 C ATOM 0 H LEU A 49 13.697 -8.927 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 49 14.944 -8.703 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.731 -10.424 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.320 -10.690 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 49 11.463 -8.734 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.965 -8.436 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.062 -10.152 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.421 -9.382 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.233 -6.722 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.783 -7.534 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.315 -7.144 -4.503 1.00 0.00 H new ATOM 723 N GLY A 50 15.324 -11.798 -5.189 1.00 0.00 N ATOM 724 CA GLY A 50 16.191 -13.003 -5.206 1.00 0.00 C ATOM 725 C GLY A 50 15.324 -14.287 -5.148 1.00 0.00 C ATOM 726 O GLY A 50 15.375 -15.040 -4.167 1.00 0.00 O ATOM 0 H GLY A 50 14.457 -11.907 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.801 -13.008 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.876 -12.979 -4.358 1.00 0.00 H new ATOM 730 N GLN A 51 14.532 -14.519 -6.212 1.00 0.00 N ATOM 731 CA GLN A 51 13.556 -15.639 -6.278 1.00 0.00 C ATOM 732 C GLN A 51 13.415 -16.073 -7.763 1.00 0.00 C ATOM 733 O GLN A 51 14.195 -15.644 -8.622 1.00 0.00 O ATOM 734 CB GLN A 51 12.201 -15.209 -5.648 1.00 0.00 C ATOM 735 CG GLN A 51 11.983 -15.601 -4.165 1.00 0.00 C ATOM 736 CD GLN A 51 10.507 -15.762 -3.758 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.649 -16.084 -4.580 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.181 -15.549 -2.492 1.00 0.00 N ATOM 0 H GLN A 51 14.546 -13.940 -7.052 1.00 0.00 H new ATOM 0 HA GLN A 51 13.905 -16.495 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.112 -14.126 -5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.395 -15.643 -6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.505 -16.538 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.441 -14.842 -3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.899 -15.283 -1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.212 -15.651 -2.191 1.00 0.00 H new ATOM 747 N ASN A 52 12.397 -16.906 -8.052 1.00 0.00 N ATOM 748 CA ASN A 52 12.060 -17.326 -9.437 1.00 0.00 C ATOM 749 C ASN A 52 10.521 -17.620 -9.561 1.00 0.00 C ATOM 750 O ASN A 52 10.118 -18.749 -9.256 1.00 0.00 O ATOM 751 CB ASN A 52 12.932 -18.555 -9.816 1.00 0.00 C ATOM 752 CG ASN A 52 13.250 -18.683 -11.322 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.696 -17.966 -12.154 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.144 -19.586 -11.698 1.00 0.00 N ATOM 0 H ASN A 52 11.785 -17.308 -7.341 1.00 0.00 H new ATOM 0 HA ASN A 52 12.281 -16.523 -10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.870 -18.501 -9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.421 -19.460 -9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.378 -19.691 -12.685 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.598 -20.176 -11.000 1.00 0.00 H new ATOM 761 N PRO A 53 9.630 -16.655 -9.950 1.00 0.00 N ATOM 762 CA PRO A 53 8.160 -16.867 -9.984 1.00 0.00 C ATOM 763 C PRO A 53 7.713 -17.678 -11.231 1.00 0.00 C ATOM 764 O PRO A 53 8.548 -18.167 -12.000 1.00 0.00 O ATOM 765 CB PRO A 53 7.625 -15.420 -9.949 1.00 0.00 C ATOM 766 CG PRO A 53 8.707 -14.557 -10.603 1.00 0.00 C ATOM 767 CD PRO A 53 10.020 -15.259 -10.264 1.00 0.00 C ATOM 0 HA PRO A 53 7.775 -17.472 -9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.682 -15.339 -10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.435 -15.098 -8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.561 -14.489 -11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.690 -13.539 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.717 -15.221 -11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.515 -14.786 -9.416 1.00 0.00 H new ATOM 775 N THR A 54 6.386 -17.826 -11.402 1.00 0.00 N ATOM 776 CA THR A 54 5.787 -18.570 -12.542 1.00 0.00 C ATOM 777 C THR A 54 4.667 -17.700 -13.175 1.00 0.00 C ATOM 778 O THR A 54 4.296 -16.651 -12.636 1.00 0.00 O ATOM 779 CB THR A 54 5.284 -19.987 -12.119 1.00 0.00 C ATOM 780 OG1 THR A 54 5.049 -20.801 -13.265 1.00 0.00 O ATOM 781 CG2 THR A 54 4.008 -19.999 -11.257 1.00 0.00 C ATOM 0 H THR A 54 5.695 -17.437 -10.760 1.00 0.00 H new ATOM 0 HA THR A 54 6.553 -18.753 -13.295 1.00 0.00 H new ATOM 0 HB THR A 54 6.090 -20.381 -11.500 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.736 -21.685 -12.980 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.741 -21.028 -11.016 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.186 -19.445 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.192 -19.532 -11.809 1.00 0.00 H new ATOM 789 N LYS A 55 4.116 -18.172 -14.310 1.00 0.00 N ATOM 790 CA LYS A 55 3.058 -17.448 -15.065 1.00 0.00 C ATOM 791 C LYS A 55 1.742 -17.527 -14.244 1.00 0.00 C ATOM 792 O LYS A 55 0.944 -16.582 -14.238 1.00 0.00 O ATOM 793 CB LYS A 55 2.910 -18.045 -16.497 1.00 0.00 C ATOM 794 CG LYS A 55 3.998 -17.674 -17.534 1.00 0.00 C ATOM 795 CD LYS A 55 4.868 -18.854 -18.025 1.00 0.00 C ATOM 796 CE LYS A 55 5.119 -19.951 -16.971 1.00 0.00 C ATOM 797 NZ LYS A 55 6.437 -20.602 -17.109 1.00 0.00 N ATOM 0 H LYS A 55 4.385 -19.060 -14.733 1.00 0.00 H new ATOM 0 HA LYS A 55 3.321 -16.399 -15.199 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.883 -19.131 -16.409 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.944 -17.734 -16.895 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.514 -17.216 -18.397 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.651 -16.919 -17.097 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.387 -19.306 -18.893 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.829 -18.464 -18.360 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.040 -19.514 -15.976 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.338 -20.707 -17.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.544 -21.328 -16.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.508 -21.046 -18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.188 -19.890 -17.005 1.00 0.00 H new ATOM 811 N GLU A 56 1.522 -18.676 -13.579 1.00 0.00 N ATOM 812 CA GLU A 56 0.265 -18.958 -12.836 1.00 0.00 C ATOM 813 C GLU A 56 0.212 -18.030 -11.592 1.00 0.00 C ATOM 814 O GLU A 56 -0.851 -17.504 -11.241 1.00 0.00 O ATOM 815 CB GLU A 56 0.170 -20.472 -12.489 1.00 0.00 C ATOM 816 CG GLU A 56 -0.202 -21.424 -13.650 1.00 0.00 C ATOM 817 CD GLU A 56 0.369 -22.839 -13.508 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.093 -23.592 -12.623 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.281 -23.204 -14.284 1.00 0.00 O ATOM 0 H GLU A 56 2.202 -19.435 -13.537 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.610 -18.741 -13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.130 -20.790 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.569 -20.595 -11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.288 -21.488 -13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.153 -20.993 -14.586 1.00 0.00 H new ATOM 826 N GLU A 57 1.366 -17.866 -10.920 1.00 0.00 N ATOM 827 CA GLU A 57 1.466 -17.102 -9.648 1.00 0.00 C ATOM 828 C GLU A 57 1.383 -15.583 -9.961 1.00 0.00 C ATOM 829 O GLU A 57 0.840 -14.803 -9.168 1.00 0.00 O ATOM 830 CB GLU A 57 2.754 -17.483 -8.862 1.00 0.00 C ATOM 831 CG GLU A 57 3.233 -16.516 -7.751 1.00 0.00 C ATOM 832 CD GLU A 57 3.141 -17.091 -6.334 1.00 0.00 C ATOM 833 OE1 GLU A 57 3.865 -18.065 -6.029 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.347 -16.570 -5.520 1.00 0.00 O ATOM 0 H GLU A 57 2.255 -18.254 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 57 0.631 -17.361 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.593 -18.461 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.565 -17.595 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.267 -16.235 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.640 -15.603 -7.799 1.00 0.00 H new ATOM 841 N LEU A 58 1.953 -15.175 -11.110 1.00 0.00 N ATOM 842 CA LEU A 58 2.057 -13.745 -11.502 1.00 0.00 C ATOM 843 C LEU A 58 0.637 -13.210 -11.835 1.00 0.00 C ATOM 844 O LEU A 58 0.277 -12.092 -11.447 1.00 0.00 O ATOM 845 CB LEU A 58 3.067 -13.623 -12.680 1.00 0.00 C ATOM 846 CG LEU A 58 4.297 -12.700 -12.453 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.458 -12.988 -13.428 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.887 -11.217 -12.553 1.00 0.00 C ATOM 0 H LEU A 58 2.354 -15.818 -11.793 1.00 0.00 H new ATOM 0 HA LEU A 58 2.441 -13.127 -10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.431 -14.622 -12.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.527 -13.261 -13.555 1.00 0.00 H new ATOM 0 HG LEU A 58 4.660 -12.916 -11.448 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.286 -12.311 -13.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.791 -14.018 -13.303 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.118 -12.839 -14.453 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.761 -10.586 -12.391 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.475 -11.019 -13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.135 -10.996 -11.796 1.00 0.00 H new ATOM 860 N ASP A 59 -0.161 -14.036 -12.537 1.00 0.00 N ATOM 861 CA ASP A 59 -1.516 -13.651 -13.013 1.00 0.00 C ATOM 862 C ASP A 59 -2.414 -13.363 -11.780 1.00 0.00 C ATOM 863 O ASP A 59 -3.310 -12.512 -11.835 1.00 0.00 O ATOM 864 CB ASP A 59 -2.121 -14.729 -13.958 1.00 0.00 C ATOM 865 CG ASP A 59 -3.555 -14.468 -14.451 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.517 -14.864 -13.756 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.721 -13.860 -15.532 1.00 0.00 O ATOM 0 H ASP A 59 0.108 -14.986 -12.793 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.450 -12.744 -13.613 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.471 -14.826 -14.828 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.105 -15.688 -13.440 1.00 0.00 H new ATOM 872 N ALA A 60 -2.172 -14.099 -10.678 1.00 0.00 N ATOM 873 CA ALA A 60 -2.969 -13.974 -9.429 1.00 0.00 C ATOM 874 C ALA A 60 -2.516 -12.719 -8.634 1.00 0.00 C ATOM 875 O ALA A 60 -3.318 -12.095 -7.930 1.00 0.00 O ATOM 876 CB ALA A 60 -2.817 -15.266 -8.603 1.00 0.00 C ATOM 0 H ALA A 60 -1.427 -14.793 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.025 -13.844 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.399 -15.182 -7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.178 -16.114 -9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.767 -15.417 -8.354 1.00 0.00 H new ATOM 882 N ILE A 61 -1.216 -12.387 -8.739 1.00 0.00 N ATOM 883 CA ILE A 61 -0.626 -11.182 -8.097 1.00 0.00 C ATOM 884 C ILE A 61 -1.409 -9.963 -8.660 1.00 0.00 C ATOM 885 O ILE A 61 -1.727 -9.025 -7.919 1.00 0.00 O ATOM 886 CB ILE A 61 0.935 -11.115 -8.293 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.721 -11.761 -7.107 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.443 -9.669 -8.541 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.721 -10.842 -6.386 1.00 0.00 C ATOM 0 H ILE A 61 -0.541 -12.940 -9.268 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.733 -11.202 -7.012 1.00 0.00 H new ATOM 0 HB ILE A 61 1.134 -11.703 -9.189 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.001 -12.127 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.261 -12.629 -7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.525 -9.681 -8.669 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.975 -9.268 -9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.186 -9.042 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.208 -11.394 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.472 -10.495 -7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.192 -9.985 -5.969 1.00 0.00 H new ATOM 901 N ILE A 62 -1.713 -9.998 -9.971 1.00 0.00 N ATOM 902 CA ILE A 62 -2.366 -8.873 -10.695 1.00 0.00 C ATOM 903 C ILE A 62 -3.858 -8.886 -10.263 1.00 0.00 C ATOM 904 O ILE A 62 -4.487 -7.827 -10.145 1.00 0.00 O ATOM 905 CB ILE A 62 -2.123 -8.954 -12.248 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.014 -7.969 -12.738 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.425 -8.737 -13.067 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.082 -7.566 -14.220 1.00 0.00 C ATOM 0 H ILE A 62 -1.516 -10.804 -10.565 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.931 -7.909 -10.432 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.773 -9.971 -12.428 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.065 -7.064 -12.133 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.042 -8.424 -12.549 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.200 -8.803 -14.132 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.154 -9.503 -12.802 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.836 -7.752 -12.843 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.265 -6.881 -14.449 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.995 -8.456 -14.843 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.034 -7.075 -14.420 1.00 0.00 H new ATOM 920 N GLU A 63 -4.415 -10.095 -10.057 1.00 0.00 N ATOM 921 CA GLU A 63 -5.833 -10.275 -9.640 1.00 0.00 C ATOM 922 C GLU A 63 -6.115 -9.324 -8.445 1.00 0.00 C ATOM 923 O GLU A 63 -7.027 -8.491 -8.503 1.00 0.00 O ATOM 924 CB GLU A 63 -6.127 -11.770 -9.327 1.00 0.00 C ATOM 925 CG GLU A 63 -7.615 -12.168 -9.187 1.00 0.00 C ATOM 926 CD GLU A 63 -7.864 -13.344 -8.237 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.059 -13.547 -7.301 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.866 -14.070 -8.423 1.00 0.00 O ATOM 0 H GLU A 63 -3.906 -10.972 -10.172 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.514 -10.008 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.685 -12.377 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.616 -12.031 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.179 -11.305 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.006 -12.422 -10.172 1.00 0.00 H new ATOM 935 N GLU A 64 -5.315 -9.463 -7.372 1.00 0.00 N ATOM 936 CA GLU A 64 -5.479 -8.665 -6.129 1.00 0.00 C ATOM 937 C GLU A 64 -5.504 -7.160 -6.513 1.00 0.00 C ATOM 938 O GLU A 64 -6.268 -6.375 -5.939 1.00 0.00 O ATOM 939 CB GLU A 64 -4.367 -9.028 -5.104 1.00 0.00 C ATOM 940 CG GLU A 64 -4.765 -9.998 -3.966 1.00 0.00 C ATOM 941 CD GLU A 64 -3.852 -9.934 -2.738 1.00 0.00 C ATOM 942 OE1 GLU A 64 -2.662 -10.304 -2.847 1.00 0.00 O ATOM 943 OE2 GLU A 64 -4.321 -9.515 -1.656 1.00 0.00 O ATOM 0 H GLU A 64 -4.540 -10.125 -7.335 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.422 -8.896 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.531 -9.467 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.004 -8.104 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.787 -9.778 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.762 -11.016 -4.354 1.00 0.00 H new ATOM 950 N VAL A 65 -4.668 -6.782 -7.497 1.00 0.00 N ATOM 951 CA VAL A 65 -4.559 -5.379 -7.982 1.00 0.00 C ATOM 952 C VAL A 65 -5.334 -5.289 -9.325 1.00 0.00 C ATOM 953 O VAL A 65 -4.758 -4.947 -10.367 1.00 0.00 O ATOM 954 CB VAL A 65 -3.065 -4.906 -8.079 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.320 -4.987 -6.724 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.224 -5.667 -9.134 1.00 0.00 C ATOM 0 H VAL A 65 -4.048 -7.431 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.009 -4.687 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.154 -3.866 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.292 -4.648 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.823 -4.353 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.320 -6.018 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.205 -5.279 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.207 -6.729 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.667 -5.529 -10.120 1.00 0.00 H new ATOM 966 N ASP A 66 -6.643 -5.600 -9.287 1.00 0.00 N ATOM 967 CA ASP A 66 -7.520 -5.562 -10.489 1.00 0.00 C ATOM 968 C ASP A 66 -8.998 -5.461 -10.022 1.00 0.00 C ATOM 969 O ASP A 66 -9.748 -6.442 -10.081 1.00 0.00 O ATOM 970 CB ASP A 66 -7.267 -6.780 -11.423 1.00 0.00 C ATOM 971 CG ASP A 66 -6.539 -6.479 -12.745 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.557 -5.312 -13.194 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.943 -7.409 -13.332 1.00 0.00 O ATOM 0 H ASP A 66 -7.126 -5.883 -8.434 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.284 -4.683 -11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.686 -7.520 -10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.228 -7.238 -11.657 1.00 0.00 H new ATOM 978 N GLU A 67 -9.397 -4.254 -9.575 1.00 0.00 N ATOM 979 CA GLU A 67 -10.797 -3.957 -9.171 1.00 0.00 C ATOM 980 C GLU A 67 -11.671 -3.872 -10.451 1.00 0.00 C ATOM 981 O GLU A 67 -12.854 -4.232 -10.432 1.00 0.00 O ATOM 982 CB GLU A 67 -10.851 -2.672 -8.294 1.00 0.00 C ATOM 983 CG GLU A 67 -11.749 -2.732 -7.036 1.00 0.00 C ATOM 984 CD GLU A 67 -13.190 -2.269 -7.272 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.406 -1.361 -8.105 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.114 -2.814 -6.627 1.00 0.00 O ATOM 0 H GLU A 67 -8.766 -3.458 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.200 -4.754 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.836 -2.432 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.193 -1.847 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.765 -3.756 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.304 -2.115 -6.256 1.00 0.00 H new ATOM 993 N ASP A 68 -11.080 -3.367 -11.551 1.00 0.00 N ATOM 994 CA ASP A 68 -11.792 -3.178 -12.844 1.00 0.00 C ATOM 995 C ASP A 68 -11.828 -4.536 -13.595 1.00 0.00 C ATOM 996 O ASP A 68 -12.782 -4.837 -14.323 1.00 0.00 O ATOM 997 CB ASP A 68 -11.157 -2.040 -13.696 1.00 0.00 C ATOM 998 CG ASP A 68 -9.743 -1.595 -13.283 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.620 -0.683 -12.436 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.754 -2.162 -13.799 1.00 0.00 O ATOM 0 H ASP A 68 -10.102 -3.078 -11.576 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.816 -2.857 -12.652 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.124 -2.367 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.816 -1.172 -13.655 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.788 -5.369 -13.385 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.701 -6.715 -14.006 1.00 0.00 C ATOM 1007 C GLY A 69 -10.339 -6.590 -15.509 1.00 0.00 C ATOM 1008 O GLY A 69 -10.989 -7.200 -16.368 1.00 0.00 O ATOM 0 H GLY A 69 -9.993 -5.136 -12.790 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.948 -7.313 -13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.652 -7.236 -13.896 1.00 0.00 H new ATOM 1012 N SER A 70 -9.296 -5.792 -15.805 1.00 0.00 N ATOM 1013 CA SER A 70 -8.761 -5.624 -17.182 1.00 0.00 C ATOM 1014 C SER A 70 -7.730 -6.743 -17.487 1.00 0.00 C ATOM 1015 O SER A 70 -8.012 -7.686 -18.237 1.00 0.00 O ATOM 1016 CB SER A 70 -8.154 -4.209 -17.329 1.00 0.00 C ATOM 1017 OG SER A 70 -7.553 -3.772 -16.114 1.00 0.00 O ATOM 0 H SER A 70 -8.797 -5.244 -15.104 1.00 0.00 H new ATOM 0 HA SER A 70 -9.564 -5.717 -17.913 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.409 -4.212 -18.125 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.933 -3.506 -17.625 1.00 0.00 H new ATOM 0 HG SER A 70 -8.215 -3.289 -15.577 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.536 -6.643 -16.867 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.460 -7.652 -17.033 1.00 0.00 C ATOM 1025 C GLY A 71 -4.071 -6.963 -17.010 1.00 0.00 C ATOM 1026 O GLY A 71 -3.094 -7.527 -16.501 1.00 0.00 O ATOM 0 H GLY A 71 -6.289 -5.873 -16.245 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.520 -8.393 -16.235 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.594 -8.185 -17.974 1.00 0.00 H new ATOM 1030 N THR A 72 -4.005 -5.740 -17.570 1.00 0.00 N ATOM 1031 CA THR A 72 -2.776 -4.902 -17.566 1.00 0.00 C ATOM 1032 C THR A 72 -3.002 -3.688 -16.626 1.00 0.00 C ATOM 1033 O THR A 72 -4.144 -3.257 -16.412 1.00 0.00 O ATOM 1034 CB THR A 72 -2.350 -4.478 -19.007 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.487 -4.099 -19.779 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.571 -5.544 -19.801 1.00 0.00 C ATOM 0 H THR A 72 -4.797 -5.300 -18.039 1.00 0.00 H new ATOM 0 HA THR A 72 -1.940 -5.488 -17.184 1.00 0.00 H new ATOM 0 HB THR A 72 -1.672 -3.640 -18.846 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.199 -3.835 -20.678 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.322 -5.153 -20.787 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.654 -5.797 -19.268 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.185 -6.438 -19.910 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.908 -3.160 -16.043 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.949 -1.999 -15.114 1.00 0.00 C ATOM 1046 C ILE A 73 -1.567 -0.746 -15.950 1.00 0.00 C ATOM 1047 O ILE A 73 -0.936 -0.850 -17.010 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.051 -2.237 -13.840 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.452 -3.523 -13.048 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -1.034 -1.011 -12.887 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.318 -4.210 -12.270 1.00 0.00 C ATOM 0 H ILE A 73 -0.967 -3.522 -16.199 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.944 -1.851 -14.695 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.042 -2.382 -14.227 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.243 -3.262 -12.345 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.874 -4.243 -13.750 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.401 -1.228 -12.026 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.641 -0.144 -13.417 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.048 -0.800 -12.548 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.709 -5.090 -11.759 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.468 -4.512 -12.963 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.092 -3.516 -11.536 1.00 0.00 H new ATOM 1063 N ASP A 74 -1.934 0.446 -15.441 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.640 1.746 -16.103 1.00 0.00 C ATOM 1065 C ASP A 74 -1.245 2.788 -15.019 1.00 0.00 C ATOM 1066 O ASP A 74 -1.306 2.516 -13.811 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.833 2.222 -16.983 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.664 1.114 -17.652 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.303 0.678 -18.768 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.674 0.673 -17.060 1.00 0.00 O ATOM 0 H ASP A 74 -2.442 0.542 -14.562 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.799 1.625 -16.786 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.498 2.823 -16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.444 2.878 -17.762 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.855 3.997 -15.467 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.445 5.104 -14.559 1.00 0.00 C ATOM 1077 C PHE A 75 -1.689 5.579 -13.759 1.00 0.00 C ATOM 1078 O PHE A 75 -1.576 5.984 -12.596 1.00 0.00 O ATOM 1079 CB PHE A 75 0.208 6.262 -15.368 1.00 0.00 C ATOM 1080 CG PHE A 75 0.865 7.370 -14.520 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.003 7.212 -13.136 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.320 8.549 -15.123 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.565 8.227 -12.365 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.882 9.562 -14.349 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.990 9.407 -12.970 1.00 0.00 C ATOM 0 H PHE A 75 -0.813 4.240 -16.457 1.00 0.00 H new ATOM 0 HA PHE A 75 0.308 4.752 -13.854 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.963 5.839 -16.031 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.554 6.716 -16.001 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.672 6.299 -12.664 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.235 8.674 -16.192 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.671 8.099 -11.298 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.234 10.468 -14.819 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.404 10.203 -12.369 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.869 5.527 -14.405 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.140 6.034 -13.824 1.00 0.00 C ATOM 1097 C GLU A 76 -4.505 5.193 -12.569 1.00 0.00 C ATOM 1098 O GLU A 76 -4.721 5.739 -11.481 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.278 6.042 -14.887 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.288 4.909 -15.943 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.656 4.664 -16.590 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.657 4.521 -15.854 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.733 4.610 -17.838 1.00 0.00 O ATOM 0 H GLU A 76 -2.975 5.135 -15.341 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.009 7.070 -13.510 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.231 6.015 -14.358 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.234 6.993 -15.417 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.567 5.150 -16.724 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.951 3.986 -15.472 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.572 3.861 -12.746 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.964 2.904 -11.678 1.00 0.00 C ATOM 1112 C GLU A 77 -3.809 2.728 -10.654 1.00 0.00 C ATOM 1113 O GLU A 77 -4.056 2.329 -9.506 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.406 1.533 -12.276 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.454 0.337 -12.038 1.00 0.00 C ATOM 1116 CD GLU A 77 -4.964 -0.966 -12.659 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.078 -0.971 -13.227 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.251 -1.991 -12.586 1.00 0.00 O ATOM 0 H GLU A 77 -4.356 3.410 -13.635 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.824 3.318 -11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.382 1.279 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.537 1.656 -13.351 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.474 0.572 -12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.320 0.194 -10.966 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.562 3.013 -11.071 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.362 2.880 -10.202 1.00 0.00 C ATOM 1127 C PHE A 78 -1.469 3.903 -9.039 1.00 0.00 C ATOM 1128 O PHE A 78 -1.100 3.602 -7.897 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.058 3.062 -11.039 1.00 0.00 C ATOM 1130 CG PHE A 78 1.257 2.919 -10.245 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.412 1.893 -9.306 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.328 3.785 -10.496 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.623 1.731 -8.636 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.538 3.619 -9.827 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.686 2.592 -8.900 1.00 0.00 C ATOM 0 H PHE A 78 -2.351 3.341 -12.013 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.316 1.879 -9.772 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.058 2.329 -11.846 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.078 4.048 -11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.590 1.224 -9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.215 4.586 -11.212 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.738 0.938 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.362 4.288 -10.028 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.626 2.462 -8.384 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.950 5.120 -9.355 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.024 6.243 -8.382 1.00 0.00 C ATOM 1147 C LEU A 79 -3.158 5.939 -7.365 1.00 0.00 C ATOM 1148 O LEU A 79 -3.094 6.366 -6.206 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.255 7.598 -9.117 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.091 8.146 -9.993 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.624 9.003 -11.158 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.065 8.956 -9.173 1.00 0.00 C ATOM 0 H LEU A 79 -2.298 5.359 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.080 6.336 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.133 7.490 -9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.495 8.351 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.578 7.274 -10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.787 9.371 -11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.276 8.397 -11.787 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.186 9.848 -10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.726 9.315 -9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.562 9.806 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.367 8.320 -8.401 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.200 5.219 -7.820 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.371 4.848 -6.979 1.00 0.00 C ATOM 1166 C VAL A 80 -4.927 3.734 -5.993 1.00 0.00 C ATOM 1167 O VAL A 80 -5.430 3.658 -4.863 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.613 4.454 -7.857 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.979 4.655 -7.156 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.650 5.204 -9.211 1.00 0.00 C ATOM 0 H VAL A 80 -4.261 4.875 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.707 5.706 -6.396 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.470 3.387 -8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.782 4.359 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.019 4.043 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.099 5.705 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.529 4.893 -9.776 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.696 6.278 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.751 4.970 -9.781 1.00 0.00 H new ATOM 1180 N MET A 81 -4.010 2.856 -6.441 1.00 0.00 N ATOM 1181 CA MET A 81 -3.490 1.724 -5.627 1.00 0.00 C ATOM 1182 C MET A 81 -2.830 2.306 -4.348 1.00 0.00 C ATOM 1183 O MET A 81 -3.151 1.892 -3.227 1.00 0.00 O ATOM 1184 CB MET A 81 -2.504 0.844 -6.447 1.00 0.00 C ATOM 1185 CG MET A 81 -2.133 -0.514 -5.821 1.00 0.00 C ATOM 1186 SD MET A 81 -1.204 -1.510 -7.008 1.00 0.00 S ATOM 1187 CE MET A 81 -0.316 -2.633 -5.909 1.00 0.00 C ATOM 0 H MET A 81 -3.605 2.905 -7.376 1.00 0.00 H new ATOM 0 HA MET A 81 -4.309 1.066 -5.338 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.941 0.662 -7.429 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.587 1.412 -6.606 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.538 -0.358 -4.921 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.037 -1.043 -5.519 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.259 -3.344 -6.502 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.359 -2.061 -5.273 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.030 -3.174 -5.287 1.00 0.00 H new ATOM 1197 N MET A 82 -1.882 3.243 -4.536 1.00 0.00 N ATOM 1198 CA MET A 82 -1.072 3.817 -3.429 1.00 0.00 C ATOM 1199 C MET A 82 -1.928 4.816 -2.604 1.00 0.00 C ATOM 1200 O MET A 82 -1.669 5.024 -1.411 1.00 0.00 O ATOM 1201 CB MET A 82 0.208 4.482 -4.011 1.00 0.00 C ATOM 1202 CG MET A 82 1.393 3.532 -4.272 1.00 0.00 C ATOM 1203 SD MET A 82 2.416 3.347 -2.793 1.00 0.00 S ATOM 1204 CE MET A 82 2.738 1.572 -2.791 1.00 0.00 C ATOM 0 H MET A 82 -1.652 3.626 -5.453 1.00 0.00 H new ATOM 0 HA MET A 82 -0.756 3.025 -2.750 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.054 4.973 -4.948 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.535 5.262 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.019 2.557 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.999 3.918 -5.091 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.359 1.316 -1.932 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.794 1.031 -2.730 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.256 1.295 -3.709 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.922 5.448 -3.255 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.754 6.518 -2.640 1.00 0.00 C ATOM 1216 C VAL A 83 -4.648 5.857 -1.556 1.00 0.00 C ATOM 1217 O VAL A 83 -4.879 6.441 -0.489 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.561 7.324 -3.720 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.937 7.810 -3.201 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.806 8.548 -4.295 1.00 0.00 C ATOM 0 H VAL A 83 -3.177 5.238 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.124 7.268 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.700 6.598 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.450 8.361 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.540 6.950 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.791 8.462 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.433 9.048 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.571 9.242 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.882 8.216 -4.769 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.150 4.643 -1.847 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.115 3.923 -0.973 1.00 0.00 C ATOM 1232 C ARG A 84 -5.359 3.451 0.298 1.00 0.00 C ATOM 1233 O ARG A 84 -5.913 3.471 1.405 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.754 2.725 -1.733 1.00 0.00 C ATOM 1235 CG ARG A 84 -8.285 2.822 -1.934 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.760 2.158 -3.240 1.00 0.00 C ATOM 1237 NE ARG A 84 -10.189 1.762 -3.169 1.00 0.00 N ATOM 1238 CZ ARG A 84 -10.629 0.490 -3.078 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.882 -0.455 -2.523 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -11.846 0.158 -3.487 1.00 0.00 N ATOM 0 H ARG A 84 -4.903 4.128 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.930 4.586 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.279 2.639 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.531 1.808 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.788 2.352 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.580 3.871 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.615 2.847 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.149 1.279 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.888 2.505 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.958 -0.225 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.231 -1.411 -2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.465 0.869 -3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.164 -0.808 -3.411 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.104 3.001 0.118 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.279 2.429 1.216 1.00 0.00 C ATOM 1256 C GLN A 85 -2.836 3.582 2.159 1.00 0.00 C ATOM 1257 O GLN A 85 -2.663 3.377 3.367 1.00 0.00 O ATOM 1258 CB GLN A 85 -2.072 1.645 0.627 1.00 0.00 C ATOM 1259 CG GLN A 85 -2.376 0.222 0.096 1.00 0.00 C ATOM 1260 CD GLN A 85 -1.523 -0.891 0.730 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -1.091 -1.827 0.057 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -1.266 -0.820 2.028 1.00 0.00 N ATOM 0 H GLN A 85 -3.629 3.020 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.860 1.716 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.647 2.231 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.305 1.567 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.429 -0.000 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.223 0.210 -0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.628 -0.041 2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.706 -1.545 2.477 1.00 0.00 H new ATOM 1271 N MET A 86 -2.633 4.781 1.585 1.00 0.00 N ATOM 1272 CA MET A 86 -2.114 5.967 2.316 1.00 0.00 C ATOM 1273 C MET A 86 -3.166 6.374 3.382 1.00 0.00 C ATOM 1274 O MET A 86 -2.813 6.747 4.507 1.00 0.00 O ATOM 1275 CB MET A 86 -1.780 7.128 1.330 1.00 0.00 C ATOM 1276 CG MET A 86 -2.802 8.281 1.322 1.00 0.00 C ATOM 1277 SD MET A 86 -2.128 9.730 0.487 1.00 0.00 S ATOM 1278 CE MET A 86 -3.041 9.702 -1.070 1.00 0.00 C ATOM 0 H MET A 86 -2.822 4.963 0.599 1.00 0.00 H new ATOM 0 HA MET A 86 -1.178 5.726 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.800 7.531 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.705 6.720 0.322 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.715 7.960 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.073 8.539 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.373 9.969 -1.889 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.441 8.702 -1.239 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.862 10.418 -1.024 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.455 6.324 2.996 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.583 6.782 3.850 1.00 0.00 C ATOM 1290 C LYS A 87 -5.428 6.143 5.257 1.00 0.00 C ATOM 1291 O LYS A 87 -5.714 4.954 5.446 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.963 6.398 3.246 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.609 7.465 2.331 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.946 8.802 3.022 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.341 9.371 2.690 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.471 9.672 1.254 1.00 0.00 N ATOM 0 H LYS A 87 -4.750 5.967 2.087 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.550 7.870 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.847 5.477 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.650 6.181 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.934 7.664 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.524 7.052 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.873 8.665 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.193 9.539 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.107 8.654 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.513 10.277 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.420 10.053 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.755 10.375 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.330 8.801 0.703 1.00 0.00 H new