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 38 SER OG : rot 180:sc= -0.119 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.8!) 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+ 135:sc= -0.0474 (180deg=-0.867) USER MOD Single : A 28 MET CE :methyl -175:sc= 0 (180deg=-0.0252) 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=-0.0315) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 52 ASN : amide:sc= -4.84! C(o=-4.8!,f=-3.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 44:sc= 0.466 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.014) USER MOD Single : A 86 MET CE :methyl 147:sc= -5.67! (180deg=-8.26!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.691 6.647 -11.162 1.00 0.00 N ATOM 56 CA ASP A 5 -14.497 7.092 -9.756 1.00 0.00 C ATOM 57 C ASP A 5 -13.029 6.811 -9.334 1.00 0.00 C ATOM 58 O ASP A 5 -12.464 7.530 -8.502 1.00 0.00 O ATOM 59 CB ASP A 5 -15.532 6.431 -8.799 1.00 0.00 C ATOM 60 CG ASP A 5 -15.096 5.111 -8.140 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.579 4.221 -8.850 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.271 4.963 -6.910 1.00 0.00 O ATOM 0 HA ASP A 5 -14.675 8.165 -9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.775 7.144 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.449 6.249 -9.359 1.00 0.00 H new ATOM 67 N GLN A 6 -12.441 5.739 -9.895 1.00 0.00 N ATOM 68 CA GLN A 6 -11.055 5.306 -9.576 1.00 0.00 C ATOM 69 C GLN A 6 -10.119 6.542 -9.668 1.00 0.00 C ATOM 70 O GLN A 6 -9.765 7.146 -8.649 1.00 0.00 O ATOM 71 CB GLN A 6 -10.617 4.156 -10.528 1.00 0.00 C ATOM 72 CG GLN A 6 -10.696 2.721 -9.953 1.00 0.00 C ATOM 73 CD GLN A 6 -9.948 1.661 -10.781 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.071 1.604 -12.005 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.160 0.809 -10.143 1.00 0.00 N ATOM 0 H GLN A 6 -12.906 5.145 -10.582 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.000 4.908 -8.563 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.236 4.200 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.590 4.343 -10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.291 2.726 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.744 2.431 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.064 0.864 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.649 0.098 -10.666 1.00 0.00 H new ATOM 84 N GLN A 7 -9.713 6.890 -10.903 1.00 0.00 N ATOM 85 CA GLN A 7 -8.729 7.971 -11.170 1.00 0.00 C ATOM 86 C GLN A 7 -9.333 9.334 -10.732 1.00 0.00 C ATOM 87 O GLN A 7 -8.588 10.277 -10.429 1.00 0.00 O ATOM 88 CB GLN A 7 -8.343 8.030 -12.677 1.00 0.00 C ATOM 89 CG GLN A 7 -8.713 6.797 -13.532 1.00 0.00 C ATOM 90 CD GLN A 7 -9.946 7.039 -14.418 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.276 8.174 -14.760 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.649 5.987 -14.813 1.00 0.00 N ATOM 0 H GLN A 7 -10.054 6.433 -11.749 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.825 7.760 -10.600 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.819 8.906 -13.117 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.266 8.184 -12.748 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.865 6.529 -14.162 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.903 5.948 -12.875 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.369 5.049 -14.525 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.470 6.115 -15.405 1.00 0.00 H new ATOM 101 N ALA A 8 -10.674 9.434 -10.712 1.00 0.00 N ATOM 102 CA ALA A 8 -11.391 10.678 -10.320 1.00 0.00 C ATOM 103 C ALA A 8 -10.891 11.181 -8.937 1.00 0.00 C ATOM 104 O ALA A 8 -10.606 12.373 -8.766 1.00 0.00 O ATOM 105 CB ALA A 8 -12.907 10.402 -10.312 1.00 0.00 C ATOM 0 H ALA A 8 -11.295 8.665 -10.964 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.185 11.468 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.440 11.308 -10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.226 10.092 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.129 9.610 -9.597 1.00 0.00 H new ATOM 111 N GLU A 9 -10.788 10.257 -7.964 1.00 0.00 N ATOM 112 CA GLU A 9 -10.424 10.585 -6.560 1.00 0.00 C ATOM 113 C GLU A 9 -8.879 10.669 -6.430 1.00 0.00 C ATOM 114 O GLU A 9 -8.337 11.707 -6.027 1.00 0.00 O ATOM 115 CB GLU A 9 -11.031 9.564 -5.554 1.00 0.00 C ATOM 116 CG GLU A 9 -10.241 8.253 -5.332 1.00 0.00 C ATOM 117 CD GLU A 9 -10.919 7.304 -4.341 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.614 7.785 -3.419 1.00 0.00 O ATOM 119 OE2 GLU A 9 -10.763 6.070 -4.482 1.00 0.00 O ATOM 0 H GLU A 9 -10.953 9.263 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.849 11.556 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.143 10.061 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.033 9.304 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.118 7.744 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.242 8.495 -4.969 1.00 0.00 H new ATOM 126 N ALA A 10 -8.186 9.560 -6.747 1.00 0.00 N ATOM 127 CA ALA A 10 -6.710 9.453 -6.589 1.00 0.00 C ATOM 128 C ALA A 10 -6.005 10.690 -7.210 1.00 0.00 C ATOM 129 O ALA A 10 -4.923 11.088 -6.765 1.00 0.00 O ATOM 130 CB ALA A 10 -6.232 8.137 -7.234 1.00 0.00 C ATOM 0 H ALA A 10 -8.622 8.715 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.449 9.436 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.151 8.049 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.717 7.294 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.490 8.136 -8.293 1.00 0.00 H new ATOM 136 N ARG A 11 -6.622 11.265 -8.259 1.00 0.00 N ATOM 137 CA ARG A 11 -6.038 12.385 -9.044 1.00 0.00 C ATOM 138 C ARG A 11 -5.954 13.631 -8.120 1.00 0.00 C ATOM 139 O ARG A 11 -4.856 14.082 -7.771 1.00 0.00 O ATOM 140 CB ARG A 11 -6.896 12.672 -10.309 1.00 0.00 C ATOM 141 CG ARG A 11 -6.146 13.367 -11.469 1.00 0.00 C ATOM 142 CD ARG A 11 -6.682 14.781 -11.761 1.00 0.00 C ATOM 143 NE ARG A 11 -5.862 15.482 -12.782 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.199 15.612 -14.081 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.893 14.672 -14.707 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.812 16.668 -14.784 1.00 0.00 N ATOM 0 H ARG A 11 -7.540 10.971 -8.592 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.039 12.123 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.303 11.729 -10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.743 13.294 -10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.085 13.428 -11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.232 12.757 -12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.714 14.714 -12.107 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.691 15.364 -10.840 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.980 15.895 -12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.182 13.832 -14.206 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.138 14.789 -15.690 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.251 17.397 -14.343 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.075 16.751 -15.766 1.00 0.00 H new ATOM 160 N ALA A 12 -7.128 14.189 -7.762 1.00 0.00 N ATOM 161 CA ALA A 12 -7.214 15.429 -6.944 1.00 0.00 C ATOM 162 C ALA A 12 -6.359 15.277 -5.656 1.00 0.00 C ATOM 163 O ALA A 12 -5.862 16.270 -5.109 1.00 0.00 O ATOM 164 CB ALA A 12 -8.691 15.728 -6.619 1.00 0.00 C ATOM 0 H ALA A 12 -8.035 13.804 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.813 16.273 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.755 16.636 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.247 15.865 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.117 14.894 -6.061 1.00 0.00 H new ATOM 170 N PHE A 13 -6.226 14.031 -5.166 1.00 0.00 N ATOM 171 CA PHE A 13 -5.475 13.722 -3.920 1.00 0.00 C ATOM 172 C PHE A 13 -3.966 14.018 -4.136 1.00 0.00 C ATOM 173 O PHE A 13 -3.317 14.643 -3.288 1.00 0.00 O ATOM 174 CB PHE A 13 -5.760 12.249 -3.509 1.00 0.00 C ATOM 175 CG PHE A 13 -5.202 11.828 -2.135 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.848 12.798 -1.188 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.059 10.473 -1.813 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.365 12.417 0.061 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.577 10.095 -0.561 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.233 11.067 0.375 1.00 0.00 C ATOM 0 H PHE A 13 -6.631 13.209 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.803 14.356 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.839 12.092 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.342 11.590 -4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.950 13.846 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.323 9.717 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.093 13.169 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.470 9.048 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.863 10.773 1.346 1.00 0.00 H new ATOM 190 N LEU A 14 -3.423 13.540 -5.271 1.00 0.00 N ATOM 191 CA LEU A 14 -1.978 13.660 -5.600 1.00 0.00 C ATOM 192 C LEU A 14 -1.778 14.972 -6.407 1.00 0.00 C ATOM 193 O LEU A 14 -2.411 15.174 -7.449 1.00 0.00 O ATOM 194 CB LEU A 14 -1.480 12.412 -6.389 1.00 0.00 C ATOM 195 CG LEU A 14 -1.835 11.010 -5.814 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.767 9.925 -6.907 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.936 10.613 -4.624 1.00 0.00 C ATOM 0 H LEU A 14 -3.966 13.060 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.384 13.702 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.881 12.472 -7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.395 12.477 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.858 11.082 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.020 8.957 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.474 10.164 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.759 9.886 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.227 9.627 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.105 10.589 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.051 11.342 -3.822 1.00 0.00 H new ATOM 209 N SER A 15 -0.868 15.837 -5.922 1.00 0.00 N ATOM 210 CA SER A 15 -0.552 17.136 -6.574 1.00 0.00 C ATOM 211 C SER A 15 0.322 16.893 -7.834 1.00 0.00 C ATOM 212 O SER A 15 0.666 15.749 -8.154 1.00 0.00 O ATOM 213 CB SER A 15 0.136 18.071 -5.552 1.00 0.00 C ATOM 214 OG SER A 15 -0.285 19.421 -5.716 1.00 0.00 O ATOM 0 H SER A 15 -0.330 15.663 -5.073 1.00 0.00 H new ATOM 0 HA SER A 15 -1.468 17.626 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.093 17.737 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.218 18.009 -5.671 1.00 0.00 H new ATOM 0 HG SER A 15 0.166 19.987 -5.055 1.00 0.00 H new ATOM 220 N GLU A 16 0.654 17.984 -8.550 1.00 0.00 N ATOM 221 CA GLU A 16 1.467 17.924 -9.793 1.00 0.00 C ATOM 222 C GLU A 16 2.941 17.633 -9.400 1.00 0.00 C ATOM 223 O GLU A 16 3.670 16.959 -10.137 1.00 0.00 O ATOM 224 CB GLU A 16 1.288 19.229 -10.621 1.00 0.00 C ATOM 225 CG GLU A 16 2.156 19.364 -11.895 1.00 0.00 C ATOM 226 CD GLU A 16 2.423 20.811 -12.321 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.310 21.463 -11.727 1.00 0.00 O ATOM 228 OE2 GLU A 16 1.746 21.303 -13.251 1.00 0.00 O ATOM 0 H GLU A 16 0.371 18.929 -8.290 1.00 0.00 H new ATOM 0 HA GLU A 16 1.132 17.116 -10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.241 19.307 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.502 20.077 -9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.110 18.865 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.663 18.841 -12.714 1.00 0.00 H new ATOM 235 N GLU A 17 3.367 18.178 -8.245 1.00 0.00 N ATOM 236 CA GLU A 17 4.712 17.940 -7.662 1.00 0.00 C ATOM 237 C GLU A 17 4.654 16.663 -6.774 1.00 0.00 C ATOM 238 O GLU A 17 5.173 16.645 -5.644 1.00 0.00 O ATOM 239 CB GLU A 17 5.201 19.200 -6.888 1.00 0.00 C ATOM 240 CG GLU A 17 5.830 20.330 -7.738 1.00 0.00 C ATOM 241 CD GLU A 17 5.690 21.727 -7.126 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.597 22.327 -7.232 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.672 22.231 -6.537 1.00 0.00 O ATOM 0 H GLU A 17 2.788 18.801 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 17 5.446 17.766 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.354 19.615 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.934 18.882 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.888 20.114 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.366 20.329 -8.724 1.00 0.00 H new ATOM 250 N MET A 18 4.045 15.583 -7.299 1.00 0.00 N ATOM 251 CA MET A 18 3.854 14.307 -6.559 1.00 0.00 C ATOM 252 C MET A 18 3.764 13.162 -7.606 1.00 0.00 C ATOM 253 O MET A 18 4.390 12.108 -7.441 1.00 0.00 O ATOM 254 CB MET A 18 2.602 14.363 -5.639 1.00 0.00 C ATOM 255 CG MET A 18 2.878 14.583 -4.139 1.00 0.00 C ATOM 256 SD MET A 18 2.428 16.268 -3.668 1.00 0.00 S ATOM 257 CE MET A 18 2.121 16.070 -1.900 1.00 0.00 C ATOM 0 H MET A 18 3.669 15.564 -8.247 1.00 0.00 H new ATOM 0 HA MET A 18 4.698 14.126 -5.893 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.952 15.165 -5.990 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.049 13.431 -5.754 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.308 13.867 -3.547 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.932 14.406 -3.925 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.833 17.030 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.318 15.349 -1.749 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.027 15.711 -1.411 1.00 0.00 H new ATOM 267 N ILE A 19 2.990 13.397 -8.682 1.00 0.00 N ATOM 268 CA ILE A 19 2.770 12.398 -9.763 1.00 0.00 C ATOM 269 C ILE A 19 4.158 12.142 -10.410 1.00 0.00 C ATOM 270 O ILE A 19 4.457 11.016 -10.828 1.00 0.00 O ATOM 271 CB ILE A 19 1.645 12.853 -10.767 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.226 12.347 -10.352 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.950 12.437 -12.232 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.495 13.179 -9.279 1.00 0.00 C ATOM 0 H ILE A 19 2.499 14.278 -8.833 1.00 0.00 H new ATOM 0 HA ILE A 19 2.382 11.456 -9.375 1.00 0.00 H new ATOM 0 HB ILE A 19 1.642 13.942 -10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.402 12.315 -11.242 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.318 11.323 -9.990 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.143 12.775 -12.882 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.888 12.891 -12.552 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.034 11.352 -12.292 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.469 12.737 -9.069 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.102 13.192 -8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.630 14.199 -9.639 1.00 0.00 H new ATOM 286 N ALA A 20 4.983 13.201 -10.516 1.00 0.00 N ATOM 287 CA ALA A 20 6.297 13.140 -11.211 1.00 0.00 C ATOM 288 C ALA A 20 7.193 12.040 -10.578 1.00 0.00 C ATOM 289 O ALA A 20 7.901 11.316 -11.290 1.00 0.00 O ATOM 290 CB ALA A 20 6.963 14.529 -11.146 1.00 0.00 C ATOM 0 H ALA A 20 4.766 14.119 -10.128 1.00 0.00 H new ATOM 0 HA ALA A 20 6.154 12.873 -12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.927 14.494 -11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.322 15.263 -11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.111 14.813 -10.104 1.00 0.00 H new ATOM 296 N GLU A 21 7.171 11.951 -9.236 1.00 0.00 N ATOM 297 CA GLU A 21 8.051 11.029 -8.469 1.00 0.00 C ATOM 298 C GLU A 21 7.771 9.575 -8.940 1.00 0.00 C ATOM 299 O GLU A 21 8.682 8.741 -9.006 1.00 0.00 O ATOM 300 CB GLU A 21 7.848 11.238 -6.941 1.00 0.00 C ATOM 301 CG GLU A 21 8.600 12.428 -6.299 1.00 0.00 C ATOM 302 CD GLU A 21 8.880 13.587 -7.262 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.909 13.548 -7.971 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.070 14.539 -7.315 1.00 0.00 O ATOM 0 H GLU A 21 6.550 12.509 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 21 9.103 11.241 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.782 11.367 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.153 10.326 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.015 12.802 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.547 12.070 -5.895 1.00 0.00 H new ATOM 311 N PHE A 22 6.491 9.283 -9.235 1.00 0.00 N ATOM 312 CA PHE A 22 6.020 7.919 -9.592 1.00 0.00 C ATOM 313 C PHE A 22 6.190 7.695 -11.120 1.00 0.00 C ATOM 314 O PHE A 22 6.242 6.541 -11.571 1.00 0.00 O ATOM 315 CB PHE A 22 4.543 7.718 -9.131 1.00 0.00 C ATOM 316 CG PHE A 22 4.254 8.124 -7.672 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.115 7.720 -6.644 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.145 8.921 -7.361 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.900 8.150 -5.337 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.934 9.352 -6.054 1.00 0.00 C ATOM 321 CZ PHE A 22 3.822 8.982 -5.046 1.00 0.00 C ATOM 0 H PHE A 22 5.748 9.982 -9.234 1.00 0.00 H new ATOM 0 HA PHE A 22 6.622 7.173 -9.074 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.892 8.294 -9.788 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.278 6.669 -9.259 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.950 7.072 -6.866 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.450 9.203 -8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.569 7.838 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.082 9.973 -5.821 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.674 9.341 -4.038 1.00 0.00 H new ATOM 331 N LYS A 23 6.243 8.786 -11.905 1.00 0.00 N ATOM 332 CA LYS A 23 6.300 8.729 -13.391 1.00 0.00 C ATOM 333 C LYS A 23 7.643 8.061 -13.792 1.00 0.00 C ATOM 334 O LYS A 23 7.698 7.276 -14.747 1.00 0.00 O ATOM 335 CB LYS A 23 6.171 10.148 -14.021 1.00 0.00 C ATOM 336 CG LYS A 23 5.288 10.283 -15.285 1.00 0.00 C ATOM 337 CD LYS A 23 4.695 11.689 -15.514 1.00 0.00 C ATOM 338 CE LYS A 23 5.716 12.813 -15.262 1.00 0.00 C ATOM 339 NZ LYS A 23 6.969 12.583 -16.001 1.00 0.00 N ATOM 0 H LYS A 23 6.248 9.736 -11.534 1.00 0.00 H new ATOM 0 HA LYS A 23 5.462 8.144 -13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.776 10.821 -13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.172 10.500 -14.269 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.882 10.008 -16.157 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.470 9.566 -15.218 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.327 11.761 -16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.837 11.829 -14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.287 13.769 -15.561 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.929 12.879 -14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.271 13.468 -16.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.707 12.263 -15.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.815 11.855 -16.728 1.00 0.00 H new ATOM 353 N ALA A 24 8.724 8.408 -13.069 1.00 0.00 N ATOM 354 CA ALA A 24 10.096 7.927 -13.378 1.00 0.00 C ATOM 355 C ALA A 24 10.189 6.396 -13.133 1.00 0.00 C ATOM 356 O ALA A 24 10.344 5.610 -14.075 1.00 0.00 O ATOM 357 CB ALA A 24 11.111 8.710 -12.522 1.00 0.00 C ATOM 0 H ALA A 24 8.679 9.025 -12.258 1.00 0.00 H new ATOM 0 HA ALA A 24 10.329 8.103 -14.428 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.120 8.362 -12.744 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.036 9.773 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.896 8.550 -11.465 1.00 0.00 H new ATOM 363 N ALA A 25 10.122 5.994 -11.850 1.00 0.00 N ATOM 364 CA ALA A 25 10.199 4.566 -11.441 1.00 0.00 C ATOM 365 C ALA A 25 9.206 3.716 -12.282 1.00 0.00 C ATOM 366 O ALA A 25 9.450 2.529 -12.530 1.00 0.00 O ATOM 367 CB ALA A 25 9.914 4.460 -9.931 1.00 0.00 C ATOM 0 H ALA A 25 10.014 6.639 -11.068 1.00 0.00 H new ATOM 0 HA ALA A 25 11.198 4.173 -11.628 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.968 3.416 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.654 5.040 -9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.918 4.849 -9.721 1.00 0.00 H new ATOM 373 N PHE A 26 8.078 4.339 -12.683 1.00 0.00 N ATOM 374 CA PHE A 26 7.004 3.642 -13.443 1.00 0.00 C ATOM 375 C PHE A 26 7.660 2.942 -14.667 1.00 0.00 C ATOM 376 O PHE A 26 7.466 1.742 -14.890 1.00 0.00 O ATOM 377 CB PHE A 26 5.872 4.624 -13.873 1.00 0.00 C ATOM 378 CG PHE A 26 4.666 3.954 -14.574 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.968 2.916 -13.946 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.279 4.365 -15.855 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.902 2.295 -14.594 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.213 3.742 -16.500 1.00 0.00 C ATOM 383 CZ PHE A 26 2.528 2.706 -15.871 1.00 0.00 C ATOM 0 H PHE A 26 7.882 5.322 -12.496 1.00 0.00 H new ATOM 0 HA PHE A 26 6.525 2.897 -12.808 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.514 5.153 -12.990 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.294 5.373 -14.543 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.257 2.595 -12.956 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.809 5.168 -16.345 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.366 1.495 -14.106 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.918 4.063 -17.488 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.705 2.220 -16.374 1.00 0.00 H new ATOM 393 N ASP A 27 8.411 3.725 -15.464 1.00 0.00 N ATOM 394 CA ASP A 27 9.062 3.230 -16.706 1.00 0.00 C ATOM 395 C ASP A 27 9.955 2.010 -16.347 1.00 0.00 C ATOM 396 O ASP A 27 10.028 1.040 -17.111 1.00 0.00 O ATOM 397 CB ASP A 27 9.851 4.359 -17.431 1.00 0.00 C ATOM 398 CG ASP A 27 10.113 4.145 -18.932 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.114 3.482 -19.283 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.318 4.638 -19.762 1.00 0.00 O ATOM 0 H ASP A 27 8.587 4.711 -15.273 1.00 0.00 H new ATOM 0 HA ASP A 27 8.301 2.907 -17.416 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.304 5.294 -17.308 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.811 4.483 -16.929 1.00 0.00 H new ATOM 405 N MET A 28 10.647 2.092 -15.193 1.00 0.00 N ATOM 406 CA MET A 28 11.601 1.040 -14.747 1.00 0.00 C ATOM 407 C MET A 28 10.865 -0.326 -14.822 1.00 0.00 C ATOM 408 O MET A 28 11.423 -1.320 -15.301 1.00 0.00 O ATOM 409 CB MET A 28 12.160 1.327 -13.324 1.00 0.00 C ATOM 410 CG MET A 28 13.378 0.484 -12.899 1.00 0.00 C ATOM 411 SD MET A 28 13.588 0.559 -11.106 1.00 0.00 S ATOM 412 CE MET A 28 14.133 2.266 -10.886 1.00 0.00 C ATOM 0 H MET A 28 10.567 2.877 -14.546 1.00 0.00 H new ATOM 0 HA MET A 28 12.473 1.026 -15.401 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.434 2.381 -13.267 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.360 1.166 -12.601 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.242 -0.551 -13.214 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.276 0.853 -13.394 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.388 2.435 -9.840 1.00 0.00 H new ATOM 0 HE2 MET A 28 15.009 2.451 -11.507 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.331 2.944 -11.178 1.00 0.00 H new ATOM 422 N PHE A 29 9.608 -0.354 -14.338 1.00 0.00 N ATOM 423 CA PHE A 29 8.791 -1.595 -14.280 1.00 0.00 C ATOM 424 C PHE A 29 8.441 -2.022 -15.731 1.00 0.00 C ATOM 425 O PHE A 29 8.468 -3.214 -16.063 1.00 0.00 O ATOM 426 CB PHE A 29 7.517 -1.380 -13.410 1.00 0.00 C ATOM 427 CG PHE A 29 7.780 -0.968 -11.947 1.00 0.00 C ATOM 428 CD1 PHE A 29 9.029 -1.205 -11.361 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.770 -0.367 -11.187 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.258 -0.859 -10.031 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.002 -0.023 -9.857 1.00 0.00 C ATOM 432 CZ PHE A 29 8.241 -0.280 -9.277 1.00 0.00 C ATOM 0 H PHE A 29 9.129 0.471 -13.978 1.00 0.00 H new ATOM 0 HA PHE A 29 9.358 -2.395 -13.804 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.901 -0.614 -13.881 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.936 -2.302 -13.412 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.818 -1.658 -11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.807 -0.169 -11.633 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.225 -1.040 -9.585 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.220 0.443 -9.276 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.414 -0.030 -8.241 1.00 0.00 H new ATOM 442 N ASP A 30 8.114 -1.033 -16.583 1.00 0.00 N ATOM 443 CA ASP A 30 7.781 -1.269 -18.013 1.00 0.00 C ATOM 444 C ASP A 30 8.946 -2.057 -18.671 1.00 0.00 C ATOM 445 O ASP A 30 10.123 -1.761 -18.431 1.00 0.00 O ATOM 446 CB ASP A 30 7.461 0.060 -18.756 1.00 0.00 C ATOM 447 CG ASP A 30 6.511 -0.050 -19.961 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.353 -1.164 -20.508 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.917 0.976 -20.359 1.00 0.00 O ATOM 0 H ASP A 30 8.071 -0.051 -16.309 1.00 0.00 H new ATOM 0 HA ASP A 30 6.872 -1.867 -18.084 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.027 0.758 -18.040 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.399 0.497 -19.098 1.00 0.00 H new ATOM 454 N ALA A 31 8.599 -3.039 -19.524 1.00 0.00 N ATOM 455 CA ALA A 31 9.592 -3.887 -20.235 1.00 0.00 C ATOM 456 C ALA A 31 9.657 -3.486 -21.735 1.00 0.00 C ATOM 457 O ALA A 31 10.736 -3.463 -22.336 1.00 0.00 O ATOM 458 CB ALA A 31 9.214 -5.370 -20.052 1.00 0.00 C ATOM 0 H ALA A 31 7.630 -3.271 -19.743 1.00 0.00 H new ATOM 0 HA ALA A 31 10.586 -3.734 -19.815 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.939 -5.997 -20.571 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.215 -5.617 -18.990 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.221 -5.546 -20.465 1.00 0.00 H new ATOM 464 N ASP A 32 8.483 -3.174 -22.317 1.00 0.00 N ATOM 465 CA ASP A 32 8.354 -2.819 -23.755 1.00 0.00 C ATOM 466 C ASP A 32 8.631 -1.300 -23.919 1.00 0.00 C ATOM 467 O ASP A 32 9.650 -0.901 -24.496 1.00 0.00 O ATOM 468 CB ASP A 32 6.971 -3.241 -24.332 1.00 0.00 C ATOM 469 CG ASP A 32 5.833 -3.405 -23.310 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.653 -4.525 -22.781 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.114 -2.418 -23.039 1.00 0.00 O ATOM 0 H ASP A 32 7.597 -3.159 -21.811 1.00 0.00 H new ATOM 0 HA ASP A 32 9.091 -3.373 -24.336 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.666 -2.498 -25.069 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.094 -4.185 -24.863 1.00 0.00 H new ATOM 476 N GLY A 33 7.717 -0.462 -23.392 1.00 0.00 N ATOM 477 CA GLY A 33 7.867 1.017 -23.421 1.00 0.00 C ATOM 478 C GLY A 33 6.683 1.699 -24.155 1.00 0.00 C ATOM 479 O GLY A 33 6.855 2.720 -24.832 1.00 0.00 O ATOM 0 H GLY A 33 6.861 -0.780 -22.938 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.930 1.397 -22.401 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.802 1.278 -23.917 1.00 0.00 H new ATOM 483 N GLY A 34 5.480 1.100 -24.036 1.00 0.00 N ATOM 484 CA GLY A 34 4.268 1.587 -24.742 1.00 0.00 C ATOM 485 C GLY A 34 3.493 2.589 -23.849 1.00 0.00 C ATOM 486 O GLY A 34 3.139 3.693 -24.282 1.00 0.00 O ATOM 0 H GLY A 34 5.318 0.276 -23.457 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.552 2.068 -25.678 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.625 0.745 -24.999 1.00 0.00 H new ATOM 490 N GLY A 35 3.262 2.198 -22.579 1.00 0.00 N ATOM 491 CA GLY A 35 2.631 3.081 -21.567 1.00 0.00 C ATOM 492 C GLY A 35 2.195 2.255 -20.330 1.00 0.00 C ATOM 493 O GLY A 35 2.511 2.611 -19.187 1.00 0.00 O ATOM 0 H GLY A 35 3.503 1.272 -22.225 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.333 3.859 -21.265 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.766 3.583 -22.001 1.00 0.00 H new ATOM 497 N ASP A 36 1.470 1.148 -20.579 1.00 0.00 N ATOM 498 CA ASP A 36 0.879 0.299 -19.512 1.00 0.00 C ATOM 499 C ASP A 36 1.952 -0.719 -19.036 1.00 0.00 C ATOM 500 O ASP A 36 3.149 -0.534 -19.285 1.00 0.00 O ATOM 501 CB ASP A 36 -0.433 -0.392 -19.987 1.00 0.00 C ATOM 502 CG ASP A 36 -1.074 0.180 -21.263 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.744 1.233 -21.183 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.903 -0.419 -22.348 1.00 0.00 O ATOM 0 H ASP A 36 1.274 0.812 -21.522 1.00 0.00 H new ATOM 0 HA ASP A 36 0.589 0.922 -18.666 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.224 -1.449 -20.152 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.163 -0.334 -19.180 1.00 0.00 H new ATOM 509 N ILE A 37 1.499 -1.803 -18.378 1.00 0.00 N ATOM 510 CA ILE A 37 2.378 -2.909 -17.910 1.00 0.00 C ATOM 511 C ILE A 37 1.583 -4.243 -17.946 1.00 0.00 C ATOM 512 O ILE A 37 0.344 -4.242 -17.961 1.00 0.00 O ATOM 513 CB ILE A 37 3.054 -2.642 -16.513 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.832 -1.294 -16.394 1.00 0.00 C ATOM 515 CG2 ILE A 37 3.925 -3.846 -16.075 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.839 -0.645 -15.001 1.00 0.00 C ATOM 0 H ILE A 37 0.514 -1.943 -18.152 1.00 0.00 H new ATOM 0 HA ILE A 37 3.221 -2.976 -18.598 1.00 0.00 H new ATOM 0 HB ILE A 37 2.222 -2.532 -15.817 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.864 -1.464 -16.700 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.403 -0.585 -17.102 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.379 -3.633 -15.107 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.301 -4.736 -15.995 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.708 -4.016 -16.814 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.407 0.284 -15.035 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.815 -0.433 -14.693 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.299 -1.326 -14.285 1.00 0.00 H new ATOM 528 N SER A 38 2.302 -5.381 -17.941 1.00 0.00 N ATOM 529 CA SER A 38 1.695 -6.739 -17.977 1.00 0.00 C ATOM 530 C SER A 38 2.233 -7.583 -16.787 1.00 0.00 C ATOM 531 O SER A 38 3.152 -7.154 -16.080 1.00 0.00 O ATOM 532 CB SER A 38 1.987 -7.392 -19.348 1.00 0.00 C ATOM 533 OG SER A 38 1.478 -8.720 -19.418 1.00 0.00 O ATOM 0 H SER A 38 3.322 -5.392 -17.912 1.00 0.00 H new ATOM 0 HA SER A 38 0.612 -6.679 -17.866 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.542 -6.790 -20.140 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.063 -7.405 -19.523 1.00 0.00 H new ATOM 0 HG SER A 38 1.679 -9.101 -20.298 1.00 0.00 H new ATOM 539 N THR A 39 1.622 -8.764 -16.570 1.00 0.00 N ATOM 540 CA THR A 39 2.009 -9.690 -15.471 1.00 0.00 C ATOM 541 C THR A 39 3.524 -10.012 -15.598 1.00 0.00 C ATOM 542 O THR A 39 4.300 -9.780 -14.661 1.00 0.00 O ATOM 543 CB THR A 39 1.126 -10.979 -15.435 1.00 0.00 C ATOM 544 OG1 THR A 39 0.582 -11.252 -16.724 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.035 -10.953 -14.425 1.00 0.00 C ATOM 0 H THR A 39 0.851 -9.107 -17.143 1.00 0.00 H new ATOM 0 HA THR A 39 1.829 -9.198 -14.515 1.00 0.00 H new ATOM 0 HB THR A 39 1.812 -11.761 -15.109 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.034 -12.063 -16.683 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.585 -11.892 -14.479 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.361 -10.822 -13.418 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.705 -10.126 -14.662 1.00 0.00 H new ATOM 553 N LYS A 40 3.929 -10.560 -16.758 1.00 0.00 N ATOM 554 CA LYS A 40 5.343 -10.939 -17.030 1.00 0.00 C ATOM 555 C LYS A 40 6.274 -9.759 -16.637 1.00 0.00 C ATOM 556 O LYS A 40 7.232 -9.940 -15.875 1.00 0.00 O ATOM 557 CB LYS A 40 5.476 -11.370 -18.521 1.00 0.00 C ATOM 558 CG LYS A 40 6.805 -12.055 -18.929 1.00 0.00 C ATOM 559 CD LYS A 40 7.776 -11.302 -19.871 1.00 0.00 C ATOM 560 CE LYS A 40 8.680 -12.168 -20.773 1.00 0.00 C ATOM 561 NZ LYS A 40 8.879 -11.612 -22.124 1.00 0.00 N ATOM 0 H LYS A 40 3.296 -10.755 -17.534 1.00 0.00 H new ATOM 0 HA LYS A 40 5.650 -11.793 -16.426 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.657 -12.050 -18.753 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.343 -10.486 -19.144 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.349 -12.290 -18.014 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.555 -13.004 -19.404 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.187 -10.644 -20.511 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.416 -10.664 -19.261 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.651 -12.286 -20.292 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.244 -13.163 -20.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.495 -12.245 -22.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.960 -11.524 -22.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.323 -10.674 -22.052 1.00 0.00 H new ATOM 575 N GLU A 41 5.997 -8.565 -17.192 1.00 0.00 N ATOM 576 CA GLU A 41 6.855 -7.362 -17.019 1.00 0.00 C ATOM 577 C GLU A 41 7.195 -7.177 -15.515 1.00 0.00 C ATOM 578 O GLU A 41 8.371 -7.148 -15.132 1.00 0.00 O ATOM 579 CB GLU A 41 6.182 -6.102 -17.639 1.00 0.00 C ATOM 580 CG GLU A 41 5.751 -6.173 -19.125 1.00 0.00 C ATOM 581 CD GLU A 41 5.046 -4.913 -19.637 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.411 -3.797 -19.204 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.125 -5.033 -20.476 1.00 0.00 O ATOM 0 H GLU A 41 5.175 -8.399 -17.773 1.00 0.00 H new ATOM 0 HA GLU A 41 7.792 -7.504 -17.558 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.299 -5.867 -17.045 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.872 -5.265 -17.530 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.633 -6.357 -19.739 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.087 -7.027 -19.258 1.00 0.00 H new ATOM 590 N LEU A 42 6.151 -7.024 -14.680 1.00 0.00 N ATOM 591 CA LEU A 42 6.301 -6.723 -13.231 1.00 0.00 C ATOM 592 C LEU A 42 7.293 -7.749 -12.621 1.00 0.00 C ATOM 593 O LEU A 42 8.186 -7.384 -11.848 1.00 0.00 O ATOM 594 CB LEU A 42 4.919 -6.756 -12.512 1.00 0.00 C ATOM 595 CG LEU A 42 4.546 -5.537 -11.618 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.033 -5.249 -11.669 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.997 -5.717 -10.154 1.00 0.00 C ATOM 0 H LEU A 42 5.180 -7.104 -14.982 1.00 0.00 H new ATOM 0 HA LEU A 42 6.698 -5.717 -13.095 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.146 -6.864 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.883 -7.652 -11.892 1.00 0.00 H new ATOM 0 HG LEU A 42 5.085 -4.683 -12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.804 -4.393 -11.035 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.739 -5.029 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.484 -6.121 -11.313 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.712 -4.839 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.519 -6.601 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.080 -5.839 -10.119 1.00 0.00 H new ATOM 609 N GLY A 43 7.103 -9.039 -12.958 1.00 0.00 N ATOM 610 CA GLY A 43 7.890 -10.154 -12.374 1.00 0.00 C ATOM 611 C GLY A 43 9.407 -9.835 -12.415 1.00 0.00 C ATOM 612 O GLY A 43 10.126 -10.058 -11.431 1.00 0.00 O ATOM 0 H GLY A 43 6.405 -9.342 -13.638 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.577 -10.326 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.692 -11.073 -12.925 1.00 0.00 H new ATOM 616 N THR A 44 9.878 -9.318 -13.565 1.00 0.00 N ATOM 617 CA THR A 44 11.321 -9.062 -13.812 1.00 0.00 C ATOM 618 C THR A 44 11.846 -8.068 -12.740 1.00 0.00 C ATOM 619 O THR A 44 12.928 -8.264 -12.174 1.00 0.00 O ATOM 620 CB THR A 44 11.588 -8.572 -15.270 1.00 0.00 C ATOM 621 OG1 THR A 44 11.612 -9.673 -16.175 1.00 0.00 O ATOM 622 CG2 THR A 44 12.887 -7.768 -15.465 1.00 0.00 C ATOM 0 H THR A 44 9.277 -9.065 -14.350 1.00 0.00 H new ATOM 0 HA THR A 44 11.874 -9.997 -13.719 1.00 0.00 H new ATOM 0 HB THR A 44 10.760 -7.894 -15.477 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.779 -9.346 -17.084 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.980 -7.474 -16.511 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.860 -6.876 -14.839 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.742 -8.384 -15.184 1.00 0.00 H new ATOM 630 N VAL A 45 11.075 -6.991 -12.498 1.00 0.00 N ATOM 631 CA VAL A 45 11.473 -5.884 -11.588 1.00 0.00 C ATOM 632 C VAL A 45 11.604 -6.477 -10.159 1.00 0.00 C ATOM 633 O VAL A 45 12.467 -6.054 -9.378 1.00 0.00 O ATOM 634 CB VAL A 45 10.486 -4.665 -11.680 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.988 -4.145 -10.309 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.083 -3.468 -12.460 1.00 0.00 C ATOM 0 H VAL A 45 10.158 -6.858 -12.924 1.00 0.00 H new ATOM 0 HA VAL A 45 12.436 -5.468 -11.885 1.00 0.00 H new ATOM 0 HB VAL A 45 9.634 -5.075 -12.222 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.312 -3.304 -10.463 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.461 -4.943 -9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.840 -3.821 -9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.357 -2.656 -12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.990 -3.125 -11.962 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.323 -3.779 -13.477 1.00 0.00 H new ATOM 646 N MET A 46 10.722 -7.436 -9.820 1.00 0.00 N ATOM 647 CA MET A 46 10.691 -8.078 -8.479 1.00 0.00 C ATOM 648 C MET A 46 12.077 -8.731 -8.224 1.00 0.00 C ATOM 649 O MET A 46 12.549 -8.782 -7.081 1.00 0.00 O ATOM 650 CB MET A 46 9.528 -9.104 -8.367 1.00 0.00 C ATOM 651 CG MET A 46 8.111 -8.538 -8.575 1.00 0.00 C ATOM 652 SD MET A 46 7.038 -9.034 -7.209 1.00 0.00 S ATOM 653 CE MET A 46 6.966 -10.822 -7.448 1.00 0.00 C ATOM 0 H MET A 46 10.011 -7.791 -10.460 1.00 0.00 H new ATOM 0 HA MET A 46 10.500 -7.329 -7.710 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.694 -9.894 -9.099 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.572 -9.568 -7.382 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.151 -7.451 -8.640 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.702 -8.899 -9.519 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.268 -11.257 -6.733 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.630 -11.040 -8.462 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.957 -11.250 -7.294 1.00 0.00 H new ATOM 663 N ARG A 47 12.701 -9.253 -9.296 1.00 0.00 N ATOM 664 CA ARG A 47 13.979 -10.008 -9.211 1.00 0.00 C ATOM 665 C ARG A 47 15.024 -9.156 -8.438 1.00 0.00 C ATOM 666 O ARG A 47 15.799 -9.690 -7.635 1.00 0.00 O ATOM 667 CB ARG A 47 14.491 -10.374 -10.632 1.00 0.00 C ATOM 668 CG ARG A 47 15.535 -11.513 -10.674 1.00 0.00 C ATOM 669 CD ARG A 47 15.616 -12.214 -12.044 1.00 0.00 C ATOM 670 NE ARG A 47 17.019 -12.459 -12.466 1.00 0.00 N ATOM 671 CZ ARG A 47 17.762 -11.612 -13.210 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.327 -10.437 -13.662 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.997 -11.972 -13.510 1.00 0.00 N ATOM 0 H ARG A 47 12.340 -9.167 -10.246 1.00 0.00 H new ATOM 0 HA ARG A 47 13.817 -10.941 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.638 -10.660 -11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.927 -9.484 -11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.515 -11.108 -10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.289 -12.251 -9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.081 -13.163 -11.997 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.114 -11.602 -12.794 1.00 0.00 H new ATOM 0 HE ARG A 47 17.454 -13.333 -12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.378 -10.129 -13.450 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.943 -9.846 -14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 47 19.362 -12.866 -13.181 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.586 -11.356 -14.070 1.00 0.00 H new ATOM 687 N MET A 48 15.046 -7.839 -8.721 1.00 0.00 N ATOM 688 CA MET A 48 16.058 -6.907 -8.153 1.00 0.00 C ATOM 689 C MET A 48 16.076 -7.106 -6.613 1.00 0.00 C ATOM 690 O MET A 48 17.149 -7.182 -6.001 1.00 0.00 O ATOM 691 CB MET A 48 15.775 -5.431 -8.555 1.00 0.00 C ATOM 692 CG MET A 48 14.884 -4.614 -7.601 1.00 0.00 C ATOM 693 SD MET A 48 15.385 -2.877 -7.624 1.00 0.00 S ATOM 694 CE MET A 48 13.791 -2.054 -7.819 1.00 0.00 C ATOM 0 H MET A 48 14.374 -7.388 -9.342 1.00 0.00 H new ATOM 0 HA MET A 48 17.043 -7.132 -8.561 1.00 0.00 H new ATOM 0 HB2 MET A 48 16.730 -4.916 -8.653 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.309 -5.430 -9.541 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.839 -4.704 -7.899 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.962 -5.010 -6.589 1.00 0.00 H new ATOM 0 HE1 MET A 48 13.940 -0.975 -7.850 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.323 -2.382 -8.747 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.145 -2.307 -6.978 1.00 0.00 H new ATOM 704 N LEU A 49 14.879 -7.218 -6.008 1.00 0.00 N ATOM 705 CA LEU A 49 14.722 -7.377 -4.538 1.00 0.00 C ATOM 706 C LEU A 49 15.420 -8.700 -4.121 1.00 0.00 C ATOM 707 O LEU A 49 16.368 -8.699 -3.328 1.00 0.00 O ATOM 708 CB LEU A 49 13.217 -7.363 -4.133 1.00 0.00 C ATOM 709 CG LEU A 49 12.626 -6.016 -3.623 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.959 -5.229 -4.769 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.623 -6.210 -2.467 1.00 0.00 C ATOM 0 H LEU A 49 13.994 -7.202 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 49 15.188 -6.542 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.633 -7.682 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.070 -8.112 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 49 13.468 -5.441 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.556 -4.293 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.698 -5.014 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.151 -5.823 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.242 -5.240 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.795 -6.833 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.123 -6.695 -1.629 1.00 0.00 H new ATOM 723 N GLY A 50 14.913 -9.833 -4.647 1.00 0.00 N ATOM 724 CA GLY A 50 15.442 -11.180 -4.314 1.00 0.00 C ATOM 725 C GLY A 50 14.305 -12.233 -4.372 1.00 0.00 C ATOM 726 O GLY A 50 14.214 -13.112 -3.505 1.00 0.00 O ATOM 0 H GLY A 50 14.135 -9.846 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.234 -11.450 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.886 -11.168 -3.319 1.00 0.00 H new ATOM 730 N GLN A 51 13.464 -12.145 -5.420 1.00 0.00 N ATOM 731 CA GLN A 51 12.281 -13.027 -5.599 1.00 0.00 C ATOM 732 C GLN A 51 11.928 -13.068 -7.110 1.00 0.00 C ATOM 733 O GLN A 51 11.988 -12.043 -7.801 1.00 0.00 O ATOM 734 CB GLN A 51 11.097 -12.526 -4.723 1.00 0.00 C ATOM 735 CG GLN A 51 9.722 -13.186 -4.990 1.00 0.00 C ATOM 736 CD GLN A 51 9.479 -14.492 -4.213 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.826 -15.581 -4.671 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.885 -14.416 -3.032 1.00 0.00 N ATOM 0 H GLN A 51 13.580 -11.463 -6.169 1.00 0.00 H new ATOM 0 HA GLN A 51 12.501 -14.042 -5.268 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.355 -12.683 -3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.995 -11.451 -4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.936 -12.475 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.633 -13.391 -6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.601 -13.509 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.711 -15.264 -2.493 1.00 0.00 H new ATOM 747 N ASN A 52 11.532 -14.258 -7.601 1.00 0.00 N ATOM 748 CA ASN A 52 11.135 -14.459 -9.019 1.00 0.00 C ATOM 749 C ASN A 52 10.134 -15.664 -9.144 1.00 0.00 C ATOM 750 O ASN A 52 10.606 -16.801 -9.266 1.00 0.00 O ATOM 751 CB ASN A 52 12.417 -14.664 -9.873 1.00 0.00 C ATOM 752 CG ASN A 52 12.285 -14.245 -11.353 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.186 -14.001 -11.851 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.389 -14.153 -12.080 1.00 0.00 N ATOM 0 H ASN A 52 11.476 -15.105 -7.035 1.00 0.00 H new ATOM 0 HA ASN A 52 10.611 -13.580 -9.393 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.231 -14.098 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.699 -15.716 -9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.332 -13.878 -13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.295 -14.357 -11.659 1.00 0.00 H new ATOM 761 N PRO A 53 8.778 -15.478 -9.166 1.00 0.00 N ATOM 762 CA PRO A 53 7.801 -16.592 -9.270 1.00 0.00 C ATOM 763 C PRO A 53 7.636 -17.093 -10.731 1.00 0.00 C ATOM 764 O PRO A 53 8.342 -16.639 -11.640 1.00 0.00 O ATOM 765 CB PRO A 53 6.528 -15.955 -8.674 1.00 0.00 C ATOM 766 CG PRO A 53 6.630 -14.460 -8.986 1.00 0.00 C ATOM 767 CD PRO A 53 8.127 -14.160 -8.971 1.00 0.00 C ATOM 0 HA PRO A 53 8.097 -17.501 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.630 -16.387 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.470 -16.128 -7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.190 -14.227 -9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.100 -13.864 -8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.399 -13.463 -9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.430 -13.704 -8.028 1.00 0.00 H new ATOM 775 N THR A 54 6.710 -18.049 -10.933 1.00 0.00 N ATOM 776 CA THR A 54 6.425 -18.637 -12.270 1.00 0.00 C ATOM 777 C THR A 54 5.460 -17.691 -13.035 1.00 0.00 C ATOM 778 O THR A 54 5.244 -16.544 -12.626 1.00 0.00 O ATOM 779 CB THR A 54 5.882 -20.097 -12.166 1.00 0.00 C ATOM 780 OG1 THR A 54 6.266 -20.860 -13.308 1.00 0.00 O ATOM 781 CG2 THR A 54 4.356 -20.220 -12.003 1.00 0.00 C ATOM 0 H THR A 54 6.138 -18.438 -10.184 1.00 0.00 H new ATOM 0 HA THR A 54 7.354 -18.720 -12.834 1.00 0.00 H new ATOM 0 HB THR A 54 6.332 -20.482 -11.251 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.918 -21.772 -13.224 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.080 -21.273 -11.940 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.045 -19.708 -11.092 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.861 -19.766 -12.861 1.00 0.00 H new ATOM 789 N LYS A 55 4.911 -18.182 -14.162 1.00 0.00 N ATOM 790 CA LYS A 55 4.014 -17.388 -15.044 1.00 0.00 C ATOM 791 C LYS A 55 2.610 -17.342 -14.383 1.00 0.00 C ATOM 792 O LYS A 55 2.053 -16.261 -14.157 1.00 0.00 O ATOM 793 CB LYS A 55 3.984 -18.001 -16.477 1.00 0.00 C ATOM 794 CG LYS A 55 3.369 -17.133 -17.603 1.00 0.00 C ATOM 795 CD LYS A 55 1.827 -17.184 -17.705 1.00 0.00 C ATOM 796 CE LYS A 55 1.200 -18.536 -17.312 1.00 0.00 C ATOM 797 NZ LYS A 55 -0.073 -18.814 -18.007 1.00 0.00 N ATOM 0 H LYS A 55 5.071 -19.134 -14.491 1.00 0.00 H new ATOM 0 HA LYS A 55 4.379 -16.367 -15.157 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.007 -18.248 -16.761 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.430 -18.939 -16.432 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.673 -16.098 -17.449 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.791 -17.451 -18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.408 -16.406 -17.067 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.536 -16.948 -18.729 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.908 -19.335 -17.533 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.029 -18.550 -16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.442 -19.736 -17.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.763 -18.071 -17.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.089 -18.831 -19.034 1.00 0.00 H new ATOM 811 N GLU A 56 2.067 -18.529 -14.054 1.00 0.00 N ATOM 812 CA GLU A 56 0.700 -18.668 -13.485 1.00 0.00 C ATOM 813 C GLU A 56 0.676 -17.977 -12.094 1.00 0.00 C ATOM 814 O GLU A 56 -0.337 -17.389 -11.699 1.00 0.00 O ATOM 815 CB GLU A 56 0.282 -20.166 -13.445 1.00 0.00 C ATOM 816 CG GLU A 56 -0.958 -20.559 -14.283 1.00 0.00 C ATOM 817 CD GLU A 56 -1.948 -21.470 -13.550 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.561 -22.090 -12.535 1.00 0.00 O ATOM 819 OE2 GLU A 56 -3.115 -21.572 -13.987 1.00 0.00 O ATOM 0 H GLU A 56 2.554 -19.417 -14.171 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.041 -18.173 -14.113 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.127 -20.765 -13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.093 -20.440 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.477 -19.651 -14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.625 -21.060 -15.192 1.00 0.00 H new ATOM 826 N GLU A 57 1.802 -18.071 -11.361 1.00 0.00 N ATOM 827 CA GLU A 57 1.941 -17.463 -10.010 1.00 0.00 C ATOM 828 C GLU A 57 1.711 -15.931 -10.121 1.00 0.00 C ATOM 829 O GLU A 57 1.015 -15.334 -9.291 1.00 0.00 O ATOM 830 CB GLU A 57 3.311 -17.819 -9.364 1.00 0.00 C ATOM 831 CG GLU A 57 3.374 -19.066 -8.446 1.00 0.00 C ATOM 832 CD GLU A 57 3.002 -18.790 -6.986 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.246 -17.828 -6.725 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.467 -19.533 -6.093 1.00 0.00 O ATOM 0 H GLU A 57 2.637 -18.564 -11.678 1.00 0.00 H new ATOM 0 HA GLU A 57 1.185 -17.876 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.034 -17.958 -10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.641 -16.958 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.704 -19.829 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.382 -19.478 -8.481 1.00 0.00 H new ATOM 841 N LEU A 58 2.305 -15.312 -11.158 1.00 0.00 N ATOM 842 CA LEU A 58 2.148 -13.859 -11.432 1.00 0.00 C ATOM 843 C LEU A 58 0.649 -13.557 -11.701 1.00 0.00 C ATOM 844 O LEU A 58 0.141 -12.494 -11.324 1.00 0.00 O ATOM 845 CB LEU A 58 3.090 -13.470 -12.609 1.00 0.00 C ATOM 846 CG LEU A 58 4.581 -13.206 -12.254 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.402 -12.674 -13.447 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.690 -12.228 -11.067 1.00 0.00 C ATOM 0 H LEU A 58 2.904 -15.794 -11.828 1.00 0.00 H new ATOM 0 HA LEU A 58 2.440 -13.248 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.053 -14.267 -13.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.690 -12.574 -13.083 1.00 0.00 H new ATOM 0 HG LEU A 58 5.005 -14.171 -11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.433 -12.510 -13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.380 -13.402 -14.258 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.974 -11.733 -13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.741 -12.055 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.217 -11.282 -11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.190 -12.654 -10.197 1.00 0.00 H new ATOM 860 N ASP A 59 -0.047 -14.518 -12.336 1.00 0.00 N ATOM 861 CA ASP A 59 -1.468 -14.361 -12.746 1.00 0.00 C ATOM 862 C ASP A 59 -2.346 -14.247 -11.471 1.00 0.00 C ATOM 863 O ASP A 59 -3.389 -13.580 -11.481 1.00 0.00 O ATOM 864 CB ASP A 59 -1.924 -15.515 -13.687 1.00 0.00 C ATOM 865 CG ASP A 59 -3.321 -15.364 -14.313 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.839 -14.227 -14.370 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.901 -16.382 -14.752 1.00 0.00 O ATOM 0 H ASP A 59 0.352 -15.424 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.583 -13.447 -13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.195 -15.610 -14.492 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.899 -16.448 -13.123 1.00 0.00 H new ATOM 872 N ALA A 60 -1.926 -14.929 -10.390 1.00 0.00 N ATOM 873 CA ALA A 60 -2.667 -14.942 -9.100 1.00 0.00 C ATOM 874 C ALA A 60 -2.537 -13.562 -8.398 1.00 0.00 C ATOM 875 O ALA A 60 -3.498 -13.067 -7.797 1.00 0.00 O ATOM 876 CB ALA A 60 -2.129 -16.088 -8.221 1.00 0.00 C ATOM 0 H ALA A 60 -1.071 -15.485 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.728 -15.117 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.668 -16.104 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.272 -17.039 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.067 -15.934 -8.032 1.00 0.00 H new ATOM 882 N ILE A 61 -1.328 -12.974 -8.463 1.00 0.00 N ATOM 883 CA ILE A 61 -1.005 -11.691 -7.785 1.00 0.00 C ATOM 884 C ILE A 61 -1.953 -10.624 -8.399 1.00 0.00 C ATOM 885 O ILE A 61 -2.523 -9.797 -7.676 1.00 0.00 O ATOM 886 CB ILE A 61 0.529 -11.347 -7.878 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.325 -11.783 -6.606 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.786 -9.845 -8.176 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.049 -10.657 -5.850 1.00 0.00 C ATOM 0 H ILE A 61 -0.545 -13.369 -8.984 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.178 -11.741 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 61 0.900 -11.929 -8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.634 -12.271 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.062 -12.530 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.859 -9.663 -8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.325 -9.579 -9.127 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.354 -9.237 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.568 -11.073 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.772 -10.180 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.322 -9.918 -5.515 1.00 0.00 H new ATOM 901 N ILE A 62 -2.109 -10.658 -9.735 1.00 0.00 N ATOM 902 CA ILE A 62 -2.913 -9.665 -10.499 1.00 0.00 C ATOM 903 C ILE A 62 -4.404 -9.948 -10.166 1.00 0.00 C ATOM 904 O ILE A 62 -5.231 -9.025 -10.171 1.00 0.00 O ATOM 905 CB ILE A 62 -2.563 -9.686 -12.035 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.147 -9.101 -12.339 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.633 -8.966 -12.900 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.010 -8.333 -13.664 1.00 0.00 C ATOM 0 H ILE A 62 -1.683 -11.374 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.679 -8.642 -10.205 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.557 -10.740 -12.311 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.868 -8.434 -11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.429 -9.921 -12.340 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.342 -9.010 -13.950 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.597 -9.457 -12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.712 -7.924 -12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.013 -7.972 -13.771 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.250 -8.996 -14.495 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.696 -7.486 -13.666 1.00 0.00 H new ATOM 920 N GLU A 63 -4.741 -11.225 -9.910 1.00 0.00 N ATOM 921 CA GLU A 63 -6.125 -11.660 -9.576 1.00 0.00 C ATOM 922 C GLU A 63 -6.728 -10.667 -8.545 1.00 0.00 C ATOM 923 O GLU A 63 -7.898 -10.277 -8.655 1.00 0.00 O ATOM 924 CB GLU A 63 -6.129 -13.137 -9.085 1.00 0.00 C ATOM 925 CG GLU A 63 -7.453 -13.919 -9.252 1.00 0.00 C ATOM 926 CD GLU A 63 -7.375 -15.385 -8.815 1.00 0.00 C ATOM 927 OE1 GLU A 63 -6.251 -15.902 -8.627 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.437 -16.026 -8.654 1.00 0.00 O ATOM 0 H GLU A 63 -4.067 -11.991 -9.927 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.758 -11.640 -10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.346 -13.675 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.859 -13.146 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.232 -13.420 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.756 -13.879 -10.298 1.00 0.00 H new ATOM 935 N GLU A 64 -5.906 -10.247 -7.566 1.00 0.00 N ATOM 936 CA GLU A 64 -6.293 -9.216 -6.567 1.00 0.00 C ATOM 937 C GLU A 64 -6.318 -7.835 -7.277 1.00 0.00 C ATOM 938 O GLU A 64 -5.316 -7.410 -7.863 1.00 0.00 O ATOM 939 CB GLU A 64 -5.341 -9.267 -5.337 1.00 0.00 C ATOM 940 CG GLU A 64 -5.132 -7.940 -4.570 1.00 0.00 C ATOM 941 CD GLU A 64 -6.097 -7.734 -3.398 1.00 0.00 C ATOM 942 OE1 GLU A 64 -7.171 -8.375 -3.378 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.786 -6.927 -2.493 1.00 0.00 O ATOM 0 H GLU A 64 -4.960 -10.606 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.291 -9.406 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.727 -10.008 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.367 -9.623 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.109 -7.908 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.242 -7.109 -5.267 1.00 0.00 H new ATOM 950 N VAL A 65 -7.484 -7.163 -7.238 1.00 0.00 N ATOM 951 CA VAL A 65 -7.712 -5.878 -7.952 1.00 0.00 C ATOM 952 C VAL A 65 -8.003 -6.216 -9.440 1.00 0.00 C ATOM 953 O VAL A 65 -8.282 -7.374 -9.778 1.00 0.00 O ATOM 954 CB VAL A 65 -6.522 -4.874 -7.749 1.00 0.00 C ATOM 955 CG1 VAL A 65 -5.537 -4.846 -8.943 1.00 0.00 C ATOM 956 CG2 VAL A 65 -6.963 -3.417 -7.459 1.00 0.00 C ATOM 0 H VAL A 65 -8.296 -7.489 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.572 -5.353 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.019 -5.269 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.739 -4.133 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.109 -5.838 -9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.069 -4.547 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.082 -2.789 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.557 -3.044 -8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.561 -3.392 -6.548 1.00 0.00 H new ATOM 966 N ASP A 66 -7.937 -5.198 -10.316 1.00 0.00 N ATOM 967 CA ASP A 66 -8.189 -5.362 -11.773 1.00 0.00 C ATOM 968 C ASP A 66 -9.683 -5.727 -11.984 1.00 0.00 C ATOM 969 O ASP A 66 -10.019 -6.574 -12.821 1.00 0.00 O ATOM 970 CB ASP A 66 -7.221 -6.400 -12.413 1.00 0.00 C ATOM 971 CG ASP A 66 -5.761 -5.946 -12.584 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.505 -5.013 -13.376 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.867 -6.527 -11.929 1.00 0.00 O ATOM 0 H ASP A 66 -7.710 -4.242 -10.044 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.986 -4.422 -12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.231 -7.302 -11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.612 -6.676 -13.392 1.00 0.00 H new ATOM 978 N GLU A 67 -10.568 -5.090 -11.196 1.00 0.00 N ATOM 979 CA GLU A 67 -12.035 -5.325 -11.228 1.00 0.00 C ATOM 980 C GLU A 67 -12.686 -4.407 -12.298 1.00 0.00 C ATOM 981 O GLU A 67 -13.873 -4.056 -12.180 1.00 0.00 O ATOM 982 CB GLU A 67 -12.635 -5.117 -9.803 1.00 0.00 C ATOM 983 CG GLU A 67 -12.126 -3.887 -9.015 1.00 0.00 C ATOM 984 CD GLU A 67 -13.227 -3.104 -8.293 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.538 -3.432 -7.127 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.783 -2.154 -8.888 1.00 0.00 O ATOM 0 H GLU A 67 -10.288 -4.389 -10.510 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.249 -6.355 -11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.718 -5.038 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.430 -6.010 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.391 -4.218 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.611 -3.217 -9.703 1.00 0.00 H new ATOM 993 N ASP A 68 -11.927 -4.023 -13.340 1.00 0.00 N ATOM 994 CA ASP A 68 -12.402 -3.107 -14.411 1.00 0.00 C ATOM 995 C ASP A 68 -12.557 -3.912 -15.728 1.00 0.00 C ATOM 996 O ASP A 68 -13.406 -3.599 -16.572 1.00 0.00 O ATOM 997 CB ASP A 68 -11.462 -1.876 -14.569 1.00 0.00 C ATOM 998 CG ASP A 68 -10.136 -1.933 -13.792 1.00 0.00 C ATOM 999 OD1 ASP A 68 -10.140 -1.662 -12.570 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.088 -2.252 -14.397 1.00 0.00 O ATOM 0 H ASP A 68 -10.965 -4.335 -13.470 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.376 -2.700 -14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.234 -1.752 -15.628 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.006 -0.986 -14.254 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.698 -4.935 -15.913 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.691 -5.765 -17.145 1.00 0.00 C ATOM 1007 C GLY A 69 -10.372 -5.526 -17.926 1.00 0.00 C ATOM 1008 O GLY A 69 -10.371 -5.450 -19.160 1.00 0.00 O ATOM 0 H GLY A 69 -10.997 -5.210 -15.225 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.786 -6.819 -16.886 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.547 -5.512 -17.771 1.00 0.00 H new ATOM 1012 N SER A 70 -9.257 -5.401 -17.182 1.00 0.00 N ATOM 1013 CA SER A 70 -7.925 -5.064 -17.751 1.00 0.00 C ATOM 1014 C SER A 70 -6.807 -5.558 -16.795 1.00 0.00 C ATOM 1015 O SER A 70 -6.222 -4.773 -16.040 1.00 0.00 O ATOM 1016 CB SER A 70 -7.849 -3.541 -18.010 1.00 0.00 C ATOM 1017 OG SER A 70 -7.994 -2.801 -16.802 1.00 0.00 O ATOM 0 H SER A 70 -9.247 -5.529 -16.170 1.00 0.00 H new ATOM 0 HA SER A 70 -7.780 -5.569 -18.706 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.894 -3.297 -18.476 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.630 -3.250 -18.713 1.00 0.00 H new ATOM 0 HG SER A 70 -7.454 -3.216 -16.097 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.524 -6.875 -16.833 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.490 -7.504 -15.974 1.00 0.00 C ATOM 1025 C GLY A 71 -4.190 -6.659 -15.951 1.00 0.00 C ATOM 1026 O GLY A 71 -3.451 -6.670 -14.957 1.00 0.00 O ATOM 0 H GLY A 71 -6.999 -7.531 -17.453 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.874 -7.614 -14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.269 -8.506 -16.341 1.00 0.00 H new ATOM 1030 N THR A 72 -3.931 -5.930 -17.055 1.00 0.00 N ATOM 1031 CA THR A 72 -2.745 -5.041 -17.186 1.00 0.00 C ATOM 1032 C THR A 72 -2.948 -3.802 -16.271 1.00 0.00 C ATOM 1033 O THR A 72 -4.036 -3.213 -16.237 1.00 0.00 O ATOM 1034 CB THR A 72 -2.453 -4.651 -18.670 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.669 -4.477 -19.393 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.576 -5.649 -19.449 1.00 0.00 C ATOM 0 H THR A 72 -4.531 -5.936 -17.880 1.00 0.00 H new ATOM 0 HA THR A 72 -1.856 -5.581 -16.858 1.00 0.00 H new ATOM 0 HB THR A 72 -1.889 -3.721 -18.595 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.466 -4.231 -20.320 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.431 -5.289 -20.467 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.608 -5.744 -18.957 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.067 -6.622 -19.475 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.885 -3.410 -15.544 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.914 -2.243 -14.620 1.00 0.00 C ATOM 1046 C ILE A 73 -1.447 -1.019 -15.453 1.00 0.00 C ATOM 1047 O ILE A 73 -0.308 -0.991 -15.940 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.079 -2.509 -13.310 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.547 -3.788 -12.545 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -1.071 -1.289 -12.350 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.452 -4.547 -11.777 1.00 0.00 C ATOM 0 H ILE A 73 -0.983 -3.885 -15.575 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.916 -2.050 -14.236 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.058 -2.677 -13.653 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.327 -3.501 -11.840 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.001 -4.471 -13.262 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.482 -1.527 -11.464 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.633 -0.430 -12.857 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.093 -1.053 -12.053 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.889 -5.416 -11.284 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.320 -4.874 -12.473 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.010 -3.889 -11.028 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.329 -0.014 -15.612 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.024 1.221 -16.382 1.00 0.00 C ATOM 1065 C ASP A 74 -1.510 2.314 -15.405 1.00 0.00 C ATOM 1066 O ASP A 74 -1.224 2.045 -14.231 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.252 1.694 -17.215 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.172 0.585 -17.753 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.864 0.009 -18.819 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.208 0.294 -17.114 1.00 0.00 O ATOM 0 H ASP A 74 -3.269 -0.028 -15.216 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.238 1.011 -17.108 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.848 2.365 -16.596 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.889 2.279 -18.060 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.391 3.558 -15.911 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.934 4.722 -15.105 1.00 0.00 C ATOM 1077 C PHE A 75 -2.130 5.250 -14.266 1.00 0.00 C ATOM 1078 O PHE A 75 -1.947 5.757 -13.153 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.335 5.824 -16.028 1.00 0.00 C ATOM 1080 CG PHE A 75 0.325 7.011 -15.299 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -0.465 7.979 -14.667 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.719 7.141 -15.273 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.131 9.068 -14.034 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.311 8.231 -14.639 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.517 9.195 -14.024 1.00 0.00 C ATOM 0 H PHE A 75 -1.605 3.789 -16.881 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.140 4.418 -14.423 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.406 5.363 -16.681 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.129 6.209 -16.668 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.541 7.881 -14.670 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.338 6.393 -15.746 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.483 9.814 -13.551 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.387 8.328 -14.625 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.977 10.043 -13.538 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.347 5.150 -14.832 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.583 5.704 -14.216 1.00 0.00 C ATOM 1097 C GLU A 76 -4.980 4.844 -12.984 1.00 0.00 C ATOM 1098 O GLU A 76 -5.556 5.357 -12.018 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.729 5.810 -15.263 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.822 7.104 -16.109 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.603 6.944 -17.418 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.093 6.281 -18.348 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.729 7.479 -17.520 1.00 0.00 O ATOM 0 H GLU A 76 -3.509 4.686 -15.726 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.392 6.719 -13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.634 4.968 -15.949 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.675 5.686 -14.736 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.294 7.883 -15.510 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.813 7.447 -16.340 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.689 3.532 -13.052 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.051 2.553 -11.992 1.00 0.00 C ATOM 1112 C GLU A 77 -3.896 2.435 -10.960 1.00 0.00 C ATOM 1113 O GLU A 77 -4.133 2.097 -9.792 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.419 1.166 -12.599 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.819 -0.079 -11.904 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.444 -1.392 -12.384 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.657 -1.409 -12.690 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.725 -2.412 -12.465 1.00 0.00 O ATOM 0 H GLU A 77 -4.196 3.113 -13.841 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.938 2.917 -11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.505 1.069 -12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.105 1.157 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.745 -0.107 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.958 0.011 -10.827 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.654 2.705 -11.403 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.446 2.627 -10.538 1.00 0.00 C ATOM 1127 C PHE A 78 -1.574 3.665 -9.389 1.00 0.00 C ATOM 1128 O PHE A 78 -1.265 3.364 -8.230 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.154 2.836 -11.387 1.00 0.00 C ATOM 1130 CG PHE A 78 1.166 2.809 -10.589 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.638 1.606 -10.051 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.920 3.977 -10.419 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.856 1.566 -9.376 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.138 3.934 -9.744 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.606 2.729 -9.225 1.00 0.00 C ATOM 0 H PHE A 78 -2.453 2.982 -12.364 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.369 1.636 -10.090 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.113 2.062 -12.154 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.228 3.793 -11.904 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.055 0.704 -10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.556 4.914 -10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.218 0.633 -8.970 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.720 4.836 -9.623 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.552 2.697 -8.705 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.003 4.892 -9.736 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.070 6.033 -8.784 1.00 0.00 C ATOM 1147 C LEU A 79 -3.174 5.741 -7.731 1.00 0.00 C ATOM 1148 O LEU A 79 -3.082 6.196 -6.583 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.337 7.370 -9.541 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.210 7.907 -10.470 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.719 8.972 -11.464 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.034 8.475 -9.651 1.00 0.00 C ATOM 0 H LEU A 79 -2.313 5.127 -10.679 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.114 6.145 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.237 7.242 -10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.556 8.138 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.861 7.052 -11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.892 9.312 -12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.495 8.539 -12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.130 9.818 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.737 8.842 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.388 9.295 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.382 7.690 -9.019 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.225 5.008 -8.141 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.372 4.656 -7.260 1.00 0.00 C ATOM 1166 C VAL A 80 -4.862 3.664 -6.179 1.00 0.00 C ATOM 1167 O VAL A 80 -5.202 3.795 -4.996 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.596 4.114 -8.084 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.572 3.233 -7.264 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.415 5.243 -8.755 1.00 0.00 C ATOM 0 H VAL A 80 -4.311 4.640 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.754 5.546 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.128 3.492 -8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.388 2.900 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.039 2.366 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.976 3.813 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.247 4.809 -9.310 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.801 5.916 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.774 5.800 -9.439 1.00 0.00 H new ATOM 1180 N MET A 81 -4.072 2.661 -6.605 1.00 0.00 N ATOM 1181 CA MET A 81 -3.515 1.616 -5.704 1.00 0.00 C ATOM 1182 C MET A 81 -2.814 2.317 -4.508 1.00 0.00 C ATOM 1183 O MET A 81 -3.137 2.048 -3.344 1.00 0.00 O ATOM 1184 CB MET A 81 -2.552 0.663 -6.469 1.00 0.00 C ATOM 1185 CG MET A 81 -3.227 -0.399 -7.358 1.00 0.00 C ATOM 1186 SD MET A 81 -3.523 -1.906 -6.407 1.00 0.00 S ATOM 1187 CE MET A 81 -2.332 -3.037 -7.158 1.00 0.00 C ATOM 0 H MET A 81 -3.798 2.546 -7.581 1.00 0.00 H new ATOM 0 HA MET A 81 -4.322 0.989 -5.325 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.893 1.267 -7.093 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.922 0.153 -5.741 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.170 -0.014 -7.747 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.595 -0.620 -8.218 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.399 -4.011 -6.673 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.553 -3.145 -8.220 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.325 -2.639 -7.035 1.00 0.00 H new ATOM 1197 N MET A 82 -1.831 3.185 -4.812 1.00 0.00 N ATOM 1198 CA MET A 82 -0.984 3.843 -3.781 1.00 0.00 C ATOM 1199 C MET A 82 -1.845 4.819 -2.933 1.00 0.00 C ATOM 1200 O MET A 82 -1.587 5.010 -1.738 1.00 0.00 O ATOM 1201 CB MET A 82 0.216 4.560 -4.461 1.00 0.00 C ATOM 1202 CG MET A 82 1.451 3.679 -4.736 1.00 0.00 C ATOM 1203 SD MET A 82 2.786 4.055 -3.576 1.00 0.00 S ATOM 1204 CE MET A 82 2.651 2.687 -2.407 1.00 0.00 C ATOM 0 H MET A 82 -1.597 3.453 -5.768 1.00 0.00 H new ATOM 0 HA MET A 82 -0.576 3.093 -3.103 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.125 4.982 -5.407 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.521 5.395 -3.831 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.178 2.627 -4.653 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.796 3.839 -5.757 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.414 2.791 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.664 2.700 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.793 1.743 -2.933 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.851 5.444 -3.572 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.693 6.496 -2.942 1.00 0.00 C ATOM 1216 C VAL A 83 -4.406 5.861 -1.716 1.00 0.00 C ATOM 1217 O VAL A 83 -4.504 6.487 -0.652 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.678 7.156 -3.972 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.118 7.356 -3.437 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.168 8.519 -4.500 1.00 0.00 C ATOM 0 H VAL A 83 -3.108 5.240 -4.538 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.074 7.324 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.711 6.430 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.733 7.817 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.542 6.390 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.094 8.002 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.889 8.928 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.047 9.210 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.209 8.380 -4.999 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.906 4.624 -1.885 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.718 3.921 -0.857 1.00 0.00 C ATOM 1232 C ARG A 84 -4.868 3.797 0.437 1.00 0.00 C ATOM 1233 O ARG A 84 -5.388 3.958 1.550 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.171 2.526 -1.378 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.632 2.470 -1.888 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.795 1.594 -3.144 1.00 0.00 C ATOM 1237 NE ARG A 84 -9.181 1.082 -3.284 1.00 0.00 N ATOM 1238 CZ ARG A 84 -10.273 1.859 -3.438 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -10.204 3.017 -4.080 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -11.457 1.472 -2.983 1.00 0.00 N ATOM 0 H ARG A 84 -4.763 4.078 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.623 4.488 -0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.506 2.222 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.052 1.797 -0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.273 2.084 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.973 3.481 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.531 2.174 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.101 0.755 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.318 0.071 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.315 3.333 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.040 3.591 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.552 0.574 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.272 2.072 -3.108 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.570 3.482 0.278 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.631 3.310 1.420 1.00 0.00 C ATOM 1256 C GLN A 85 -2.404 4.697 2.083 1.00 0.00 C ATOM 1257 O GLN A 85 -2.238 4.792 3.305 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.308 2.654 0.934 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.215 3.609 0.395 1.00 0.00 C ATOM 1260 CD GLN A 85 1.178 3.398 1.016 1.00 0.00 C ATOM 1261 OE1 GLN A 85 1.909 4.351 1.281 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.571 2.157 1.262 1.00 0.00 N ATOM 0 H GLN A 85 -3.137 3.339 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.051 2.638 2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.885 2.086 1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.552 1.938 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.140 3.483 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.528 4.638 0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.957 1.374 1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.488 1.985 1.675 1.00 0.00 H new ATOM 1271 N MET A 86 -2.415 5.762 1.260 1.00 0.00 N ATOM 1272 CA MET A 86 -2.193 7.158 1.720 1.00 0.00 C ATOM 1273 C MET A 86 -3.352 7.565 2.673 1.00 0.00 C ATOM 1274 O MET A 86 -3.180 8.475 3.497 1.00 0.00 O ATOM 1275 CB MET A 86 -2.059 8.135 0.515 1.00 0.00 C ATOM 1276 CG MET A 86 -0.668 8.769 0.321 1.00 0.00 C ATOM 1277 SD MET A 86 -0.828 10.555 0.097 1.00 0.00 S ATOM 1278 CE MET A 86 -1.551 10.641 -1.554 1.00 0.00 C ATOM 0 H MET A 86 -2.578 5.686 0.256 1.00 0.00 H new ATOM 0 HA MET A 86 -1.252 7.216 2.267 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.324 7.598 -0.396 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.789 8.935 0.637 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.039 8.558 1.186 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.176 8.328 -0.546 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.218 11.501 -1.615 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.757 10.745 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.115 9.729 -1.752 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.525 6.922 2.534 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.761 7.267 3.288 1.00 0.00 C ATOM 1290 C LYS A 87 -5.401 7.526 4.777 1.00 0.00 C ATOM 1291 O LYS A 87 -4.578 6.815 5.364 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.824 6.133 3.198 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.600 6.050 1.863 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.094 6.425 1.952 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.825 6.502 0.596 1.00 0.00 C ATOM 1296 NZ LYS A 87 -11.211 6.014 0.702 1.00 0.00 N ATOM 0 H LYS A 87 -4.651 6.140 1.891 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.190 8.164 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.326 5.178 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.542 6.267 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.119 6.707 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.518 5.035 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.601 5.693 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.183 7.390 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.827 7.532 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.285 5.911 -0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.674 6.079 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.207 5.023 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.732 6.595 1.390 1.00 0.00 H new