USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=12 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 39 THR OG1 : rot 180:sc= 0.0378 USER MOD Set 1.2: A 40 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.151) USER MOD Single : A 6 GLN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.99) 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 -163:sc= -2.53! (180deg=-4.29!) USER MOD Single : A 38 SER OG : rot 180:sc= -4.13! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0479 K(o=-0.048,f=-0.63) USER MOD Single : A 52 ASN : amide:sc=-0.00522 X(o=-0.0052,f=-0.34) 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 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 167:sc= 0 (180deg=-0.102) USER MOD Single : A 82 MET CE :methyl 173:sc= -3.78! (180deg=-4.06!) USER MOD Single : A 85 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.011) USER MOD Single : A 86 MET CE :methyl 177:sc= -8.62! (180deg=-8.85!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.868 6.124 -11.275 1.00 0.00 N ATOM 56 CA ASP A 5 -14.155 7.289 -10.689 1.00 0.00 C ATOM 57 C ASP A 5 -12.828 6.811 -10.037 1.00 0.00 C ATOM 58 O ASP A 5 -12.506 7.197 -8.901 1.00 0.00 O ATOM 59 CB ASP A 5 -15.060 8.057 -9.679 1.00 0.00 C ATOM 60 CG ASP A 5 -15.574 7.242 -8.480 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.183 6.062 -8.339 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.375 7.777 -7.682 1.00 0.00 O ATOM 0 HA ASP A 5 -13.912 7.995 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.502 8.913 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.920 8.452 -10.220 1.00 0.00 H new ATOM 67 N GLN A 6 -12.048 5.997 -10.770 1.00 0.00 N ATOM 68 CA GLN A 6 -10.702 5.535 -10.336 1.00 0.00 C ATOM 69 C GLN A 6 -9.658 6.598 -10.773 1.00 0.00 C ATOM 70 O GLN A 6 -8.881 7.099 -9.952 1.00 0.00 O ATOM 71 CB GLN A 6 -10.400 4.127 -10.922 1.00 0.00 C ATOM 72 CG GLN A 6 -11.621 3.323 -11.434 1.00 0.00 C ATOM 73 CD GLN A 6 -11.534 1.807 -11.187 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.525 1.156 -10.854 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.360 1.213 -11.341 1.00 0.00 N ATOM 0 H GLN A 6 -12.326 5.636 -11.682 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.659 5.433 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.696 4.243 -11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.899 3.537 -10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.521 3.706 -10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.733 3.498 -12.504 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.544 1.760 -11.617 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.272 0.209 -11.184 1.00 0.00 H new ATOM 84 N GLN A 7 -9.654 6.925 -12.079 1.00 0.00 N ATOM 85 CA GLN A 7 -8.653 7.837 -12.693 1.00 0.00 C ATOM 86 C GLN A 7 -9.018 9.304 -12.338 1.00 0.00 C ATOM 87 O GLN A 7 -8.137 10.170 -12.262 1.00 0.00 O ATOM 88 CB GLN A 7 -8.604 7.666 -14.239 1.00 0.00 C ATOM 89 CG GLN A 7 -9.814 8.225 -15.022 1.00 0.00 C ATOM 90 CD GLN A 7 -10.865 7.147 -15.333 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.535 5.987 -15.583 1.00 0.00 O ATOM 92 NE2 GLN A 7 -12.143 7.496 -15.322 1.00 0.00 N ATOM 0 H GLN A 7 -10.341 6.568 -12.743 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.668 7.588 -12.298 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.701 8.151 -14.610 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.510 6.604 -14.464 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.278 9.024 -14.444 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.465 8.667 -15.955 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.407 8.459 -15.114 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.863 6.802 -15.522 1.00 0.00 H new ATOM 101 N ALA A 8 -10.321 9.572 -12.130 1.00 0.00 N ATOM 102 CA ALA A 8 -10.826 10.928 -11.786 1.00 0.00 C ATOM 103 C ALA A 8 -10.324 11.348 -10.377 1.00 0.00 C ATOM 104 O ALA A 8 -9.962 12.510 -10.157 1.00 0.00 O ATOM 105 CB ALA A 8 -12.365 10.928 -11.871 1.00 0.00 C ATOM 0 H ALA A 8 -11.054 8.865 -12.193 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.442 11.661 -12.495 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.743 11.919 -11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.673 10.667 -12.883 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.768 10.197 -11.170 1.00 0.00 H new ATOM 111 N GLU A 9 -10.316 10.387 -9.435 1.00 0.00 N ATOM 112 CA GLU A 9 -9.960 10.638 -8.013 1.00 0.00 C ATOM 113 C GLU A 9 -8.445 10.962 -7.911 1.00 0.00 C ATOM 114 O GLU A 9 -8.042 11.870 -7.172 1.00 0.00 O ATOM 115 CB GLU A 9 -10.353 9.440 -7.100 1.00 0.00 C ATOM 116 CG GLU A 9 -11.759 9.495 -6.457 1.00 0.00 C ATOM 117 CD GLU A 9 -11.747 10.063 -5.036 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.730 10.669 -4.634 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.755 9.902 -4.312 1.00 0.00 O ATOM 0 H GLU A 9 -10.554 9.415 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.529 11.496 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.282 8.525 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.615 9.363 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.413 10.105 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.182 8.491 -6.437 1.00 0.00 H new ATOM 126 N ALA A 10 -7.615 10.190 -8.636 1.00 0.00 N ATOM 127 CA ALA A 10 -6.133 10.295 -8.560 1.00 0.00 C ATOM 128 C ALA A 10 -5.631 11.541 -9.341 1.00 0.00 C ATOM 129 O ALA A 10 -4.595 12.123 -8.999 1.00 0.00 O ATOM 130 CB ALA A 10 -5.511 8.992 -9.101 1.00 0.00 C ATOM 0 H ALA A 10 -7.943 9.478 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.824 10.425 -7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.424 9.059 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.852 8.149 -8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.817 8.846 -10.137 1.00 0.00 H new ATOM 136 N ARG A 11 -6.365 11.915 -10.405 1.00 0.00 N ATOM 137 CA ARG A 11 -5.970 13.012 -11.329 1.00 0.00 C ATOM 138 C ARG A 11 -6.199 14.362 -10.597 1.00 0.00 C ATOM 139 O ARG A 11 -5.400 15.296 -10.728 1.00 0.00 O ATOM 140 CB ARG A 11 -6.786 12.937 -12.650 1.00 0.00 C ATOM 141 CG ARG A 11 -6.974 14.287 -13.381 1.00 0.00 C ATOM 142 CD ARG A 11 -6.690 14.191 -14.892 1.00 0.00 C ATOM 143 NE ARG A 11 -7.864 13.678 -15.642 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.798 13.044 -16.831 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.757 12.285 -17.144 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.786 13.134 -17.710 1.00 0.00 N ATOM 0 H ARG A 11 -7.249 11.471 -10.654 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.919 12.918 -11.601 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.290 12.241 -13.326 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.769 12.521 -12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.995 14.638 -13.229 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.312 15.031 -12.938 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.416 15.175 -15.274 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.836 13.535 -15.060 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.786 13.815 -15.229 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.990 12.173 -16.481 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.723 11.813 -18.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.613 13.689 -17.492 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.719 12.648 -18.604 1.00 0.00 H new ATOM 160 N ALA A 12 -7.303 14.443 -9.829 1.00 0.00 N ATOM 161 CA ALA A 12 -7.723 15.693 -9.143 1.00 0.00 C ATOM 162 C ALA A 12 -6.764 15.997 -7.960 1.00 0.00 C ATOM 163 O ALA A 12 -6.563 17.161 -7.594 1.00 0.00 O ATOM 164 CB ALA A 12 -9.185 15.552 -8.675 1.00 0.00 C ATOM 0 H ALA A 12 -7.928 13.654 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.668 16.535 -9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.496 16.467 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.828 15.376 -9.538 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.267 14.713 -7.985 1.00 0.00 H new ATOM 170 N PHE A 13 -6.205 14.933 -7.354 1.00 0.00 N ATOM 171 CA PHE A 13 -5.292 15.053 -6.186 1.00 0.00 C ATOM 172 C PHE A 13 -3.891 15.520 -6.667 1.00 0.00 C ATOM 173 O PHE A 13 -3.302 16.444 -6.096 1.00 0.00 O ATOM 174 CB PHE A 13 -5.259 13.694 -5.427 1.00 0.00 C ATOM 175 CG PHE A 13 -4.170 13.578 -4.341 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.415 14.044 -3.044 1.00 0.00 C ATOM 177 CD2 PHE A 13 -2.929 13.004 -4.640 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.433 13.936 -2.062 1.00 0.00 C ATOM 179 CE2 PHE A 13 -1.949 12.896 -3.656 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.202 13.362 -2.368 1.00 0.00 C ATOM 0 H PHE A 13 -6.367 13.971 -7.652 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.649 15.807 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.232 13.531 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.114 12.894 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.369 14.489 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.730 12.643 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.627 14.298 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.993 12.451 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.442 13.278 -1.605 1.00 0.00 H new ATOM 190 N LEU A 14 -3.379 14.865 -7.727 1.00 0.00 N ATOM 191 CA LEU A 14 -2.022 15.132 -8.274 1.00 0.00 C ATOM 192 C LEU A 14 -2.144 16.273 -9.320 1.00 0.00 C ATOM 193 O LEU A 14 -3.252 16.679 -9.686 1.00 0.00 O ATOM 194 CB LEU A 14 -1.407 13.841 -8.893 1.00 0.00 C ATOM 195 CG LEU A 14 -1.562 12.516 -8.090 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.705 11.305 -9.033 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.395 12.281 -7.108 1.00 0.00 C ATOM 0 H LEU A 14 -3.887 14.138 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.346 15.442 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.854 13.693 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.343 14.017 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.474 12.620 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.811 10.395 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.586 11.435 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.819 11.228 -9.663 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.552 11.344 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.542 12.230 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.350 13.103 -6.394 1.00 0.00 H new ATOM 209 N SER A 15 -0.987 16.757 -9.810 1.00 0.00 N ATOM 210 CA SER A 15 -0.924 17.817 -10.851 1.00 0.00 C ATOM 211 C SER A 15 -0.197 17.274 -12.112 1.00 0.00 C ATOM 212 O SER A 15 -0.107 16.058 -12.314 1.00 0.00 O ATOM 213 CB SER A 15 -0.232 19.070 -10.267 1.00 0.00 C ATOM 214 OG SER A 15 -0.554 19.249 -8.891 1.00 0.00 O ATOM 0 H SER A 15 -0.071 16.431 -9.502 1.00 0.00 H new ATOM 0 HA SER A 15 -1.929 18.107 -11.157 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.848 18.977 -10.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.537 19.952 -10.831 1.00 0.00 H new ATOM 0 HG SER A 15 -0.100 20.048 -8.550 1.00 0.00 H new ATOM 220 N GLU A 16 0.288 18.196 -12.964 1.00 0.00 N ATOM 221 CA GLU A 16 0.980 17.847 -14.233 1.00 0.00 C ATOM 222 C GLU A 16 2.479 17.581 -13.923 1.00 0.00 C ATOM 223 O GLU A 16 3.099 16.696 -14.524 1.00 0.00 O ATOM 224 CB GLU A 16 0.752 18.960 -15.296 1.00 0.00 C ATOM 225 CG GLU A 16 1.430 18.752 -16.671 1.00 0.00 C ATOM 226 CD GLU A 16 1.559 20.029 -17.507 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.728 20.949 -17.339 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.490 20.117 -18.338 1.00 0.00 O ATOM 0 H GLU A 16 0.215 19.200 -12.800 1.00 0.00 H new ATOM 0 HA GLU A 16 0.567 16.936 -14.666 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.321 19.063 -15.457 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.104 19.905 -14.882 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.424 18.332 -16.514 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.859 18.016 -17.238 1.00 0.00 H new ATOM 235 N GLU A 17 3.038 18.365 -12.979 1.00 0.00 N ATOM 236 CA GLU A 17 4.486 18.312 -12.639 1.00 0.00 C ATOM 237 C GLU A 17 4.725 17.081 -11.723 1.00 0.00 C ATOM 238 O GLU A 17 5.751 16.400 -11.834 1.00 0.00 O ATOM 239 CB GLU A 17 4.962 19.655 -12.009 1.00 0.00 C ATOM 240 CG GLU A 17 6.300 20.229 -12.531 1.00 0.00 C ATOM 241 CD GLU A 17 7.025 21.136 -11.532 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.871 20.932 -10.307 1.00 0.00 O ATOM 243 OE2 GLU A 17 7.749 22.059 -11.967 1.00 0.00 O ATOM 0 H GLU A 17 2.511 19.047 -12.433 1.00 0.00 H new ATOM 0 HA GLU A 17 5.089 18.189 -13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.185 20.402 -12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.049 19.514 -10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.958 19.402 -12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.109 20.792 -13.444 1.00 0.00 H new ATOM 250 N MET A 18 3.749 16.793 -10.841 1.00 0.00 N ATOM 251 CA MET A 18 3.829 15.664 -9.877 1.00 0.00 C ATOM 252 C MET A 18 3.789 14.338 -10.685 1.00 0.00 C ATOM 253 O MET A 18 4.412 13.343 -10.292 1.00 0.00 O ATOM 254 CB MET A 18 2.695 15.742 -8.816 1.00 0.00 C ATOM 255 CG MET A 18 3.090 16.343 -7.454 1.00 0.00 C ATOM 256 SD MET A 18 1.629 16.515 -6.405 1.00 0.00 S ATOM 257 CE MET A 18 2.183 17.765 -5.228 1.00 0.00 C ATOM 0 H MET A 18 2.884 17.330 -10.772 1.00 0.00 H new ATOM 0 HA MET A 18 4.762 15.715 -9.316 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.877 16.333 -9.229 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.309 14.736 -8.650 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.825 15.704 -6.965 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.560 17.316 -7.599 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.384 17.974 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.059 17.398 -4.693 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.441 18.679 -5.763 1.00 0.00 H new ATOM 267 N ILE A 19 3.027 14.333 -11.794 1.00 0.00 N ATOM 268 CA ILE A 19 2.805 13.120 -12.629 1.00 0.00 C ATOM 269 C ILE A 19 4.200 12.698 -13.164 1.00 0.00 C ATOM 270 O ILE A 19 4.489 11.501 -13.296 1.00 0.00 O ATOM 271 CB ILE A 19 1.714 13.360 -13.739 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.262 13.107 -13.223 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.975 12.525 -15.022 1.00 0.00 C ATOM 274 CD1 ILE A 19 0.045 13.293 -11.712 1.00 0.00 C ATOM 0 H ILE A 19 2.546 15.162 -12.142 1.00 0.00 H new ATOM 0 HA ILE A 19 2.385 12.297 -12.050 1.00 0.00 H new ATOM 0 HB ILE A 19 1.799 14.415 -13.998 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.414 13.779 -13.753 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.026 12.090 -13.489 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.193 12.729 -15.754 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.944 12.795 -15.441 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.971 11.464 -14.773 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.998 13.092 -11.467 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.686 12.602 -11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.292 14.317 -11.432 1.00 0.00 H new ATOM 286 N ALA A 20 5.045 13.691 -13.499 1.00 0.00 N ATOM 287 CA ALA A 20 6.372 13.452 -14.127 1.00 0.00 C ATOM 288 C ALA A 20 7.240 12.534 -13.224 1.00 0.00 C ATOM 289 O ALA A 20 8.122 11.818 -13.716 1.00 0.00 O ATOM 290 CB ALA A 20 7.054 14.809 -14.391 1.00 0.00 C ATOM 0 H ALA A 20 4.836 14.677 -13.346 1.00 0.00 H new ATOM 0 HA ALA A 20 6.247 12.937 -15.080 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.028 14.643 -14.852 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.433 15.404 -15.060 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.184 15.340 -13.448 1.00 0.00 H new ATOM 296 N GLU A 21 6.981 12.573 -11.904 1.00 0.00 N ATOM 297 CA GLU A 21 7.706 11.737 -10.911 1.00 0.00 C ATOM 298 C GLU A 21 7.404 10.244 -11.214 1.00 0.00 C ATOM 299 O GLU A 21 8.311 9.401 -11.196 1.00 0.00 O ATOM 300 CB GLU A 21 7.330 12.167 -9.464 1.00 0.00 C ATOM 301 CG GLU A 21 8.372 11.860 -8.361 1.00 0.00 C ATOM 302 CD GLU A 21 8.267 12.762 -7.127 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.633 13.955 -7.217 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.822 12.281 -6.062 1.00 0.00 O ATOM 0 H GLU A 21 6.270 13.177 -11.491 1.00 0.00 H new ATOM 0 HA GLU A 21 8.784 11.880 -10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.140 13.240 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.394 11.678 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.258 10.822 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.372 11.958 -8.784 1.00 0.00 H new ATOM 311 N PHE A 22 6.117 9.929 -11.464 1.00 0.00 N ATOM 312 CA PHE A 22 5.668 8.544 -11.765 1.00 0.00 C ATOM 313 C PHE A 22 5.665 8.318 -13.302 1.00 0.00 C ATOM 314 O PHE A 22 4.984 7.401 -13.787 1.00 0.00 O ATOM 315 CB PHE A 22 4.263 8.282 -11.138 1.00 0.00 C ATOM 316 CG PHE A 22 3.921 9.138 -9.902 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.565 8.905 -8.681 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.946 10.140 -9.980 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.204 9.627 -7.546 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.581 10.856 -8.842 1.00 0.00 C ATOM 321 CZ PHE A 22 3.191 10.579 -7.621 1.00 0.00 C ATOM 0 H PHE A 22 5.363 10.615 -11.464 1.00 0.00 H new ATOM 0 HA PHE A 22 6.361 7.830 -11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.505 8.457 -11.901 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.198 7.230 -10.860 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.346 8.161 -8.619 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.475 10.359 -10.927 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.710 9.448 -6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.826 11.625 -8.907 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.878 11.104 -6.731 1.00 0.00 H new ATOM 331 N LYS A 23 6.418 9.139 -14.056 1.00 0.00 N ATOM 332 CA LYS A 23 6.601 8.970 -15.523 1.00 0.00 C ATOM 333 C LYS A 23 7.813 8.022 -15.746 1.00 0.00 C ATOM 334 O LYS A 23 7.794 7.166 -16.637 1.00 0.00 O ATOM 335 CB LYS A 23 6.826 10.337 -16.233 1.00 0.00 C ATOM 336 CG LYS A 23 5.645 10.904 -17.058 1.00 0.00 C ATOM 337 CD LYS A 23 5.879 12.310 -17.649 1.00 0.00 C ATOM 338 CE LYS A 23 6.122 12.282 -19.169 1.00 0.00 C ATOM 339 NZ LYS A 23 7.542 12.052 -19.485 1.00 0.00 N ATOM 0 H LYS A 23 6.920 9.940 -13.673 1.00 0.00 H new ATOM 0 HA LYS A 23 5.699 8.540 -15.958 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.093 11.073 -15.474 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.685 10.237 -16.896 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.427 10.215 -17.874 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.760 10.936 -16.423 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.014 12.938 -17.435 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.736 12.769 -17.156 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.516 11.497 -19.621 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.799 13.226 -19.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.670 12.039 -20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.117 12.815 -19.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.843 11.139 -19.087 1.00 0.00 H new ATOM 353 N ALA A 24 8.863 8.197 -14.921 1.00 0.00 N ATOM 354 CA ALA A 24 10.141 7.450 -15.066 1.00 0.00 C ATOM 355 C ALA A 24 9.938 5.965 -14.659 1.00 0.00 C ATOM 356 O ALA A 24 10.095 5.053 -15.480 1.00 0.00 O ATOM 357 CB ALA A 24 11.226 8.136 -14.212 1.00 0.00 C ATOM 0 H ALA A 24 8.857 8.853 -14.140 1.00 0.00 H new ATOM 0 HA ALA A 24 10.467 7.460 -16.106 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.166 7.593 -14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.361 9.163 -14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.919 8.137 -13.166 1.00 0.00 H new ATOM 363 N ALA A 25 9.616 5.741 -13.371 1.00 0.00 N ATOM 364 CA ALA A 25 9.492 4.377 -12.791 1.00 0.00 C ATOM 365 C ALA A 25 8.576 3.500 -13.689 1.00 0.00 C ATOM 366 O ALA A 25 8.818 2.298 -13.850 1.00 0.00 O ATOM 367 CB ALA A 25 8.954 4.488 -11.352 1.00 0.00 C ATOM 0 H ALA A 25 9.434 6.489 -12.702 1.00 0.00 H new ATOM 0 HA ALA A 25 10.468 3.893 -12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.861 3.491 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.643 5.081 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.977 4.971 -11.365 1.00 0.00 H new ATOM 373 N PHE A 26 7.528 4.130 -14.263 1.00 0.00 N ATOM 374 CA PHE A 26 6.505 3.406 -15.068 1.00 0.00 C ATOM 375 C PHE A 26 7.231 2.727 -16.263 1.00 0.00 C ATOM 376 O PHE A 26 7.041 1.534 -16.524 1.00 0.00 O ATOM 377 CB PHE A 26 5.366 4.357 -15.540 1.00 0.00 C ATOM 378 CG PHE A 26 4.361 3.726 -16.534 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.801 3.210 -17.758 1.00 0.00 C ATOM 380 CD2 PHE A 26 2.997 3.688 -16.224 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.896 2.617 -18.635 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.089 3.121 -17.117 1.00 0.00 C ATOM 383 CZ PHE A 26 2.542 2.566 -18.310 1.00 0.00 C ATOM 0 H PHE A 26 7.364 5.134 -14.188 1.00 0.00 H new ATOM 0 HA PHE A 26 6.019 2.646 -14.456 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.818 4.707 -14.665 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.815 5.234 -16.007 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.846 3.272 -18.024 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.646 4.100 -15.289 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.244 2.197 -19.567 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.035 3.112 -16.883 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.843 2.095 -18.985 1.00 0.00 H new ATOM 393 N ASP A 27 8.083 3.503 -16.959 1.00 0.00 N ATOM 394 CA ASP A 27 8.884 3.002 -18.107 1.00 0.00 C ATOM 395 C ASP A 27 9.773 1.826 -17.618 1.00 0.00 C ATOM 396 O ASP A 27 10.013 0.868 -18.363 1.00 0.00 O ATOM 397 CB ASP A 27 9.709 4.142 -18.773 1.00 0.00 C ATOM 398 CG ASP A 27 10.179 3.884 -20.215 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.453 3.207 -20.975 1.00 0.00 O ATOM 400 OD2 ASP A 27 11.272 4.363 -20.591 1.00 0.00 O ATOM 0 H ASP A 27 8.240 4.489 -16.749 1.00 0.00 H new ATOM 0 HA ASP A 27 8.218 2.633 -18.887 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.107 5.050 -18.766 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.586 4.336 -18.156 1.00 0.00 H new ATOM 405 N MET A 28 10.278 1.932 -16.372 1.00 0.00 N ATOM 406 CA MET A 28 11.207 0.927 -15.787 1.00 0.00 C ATOM 407 C MET A 28 10.563 -0.474 -15.974 1.00 0.00 C ATOM 408 O MET A 28 11.234 -1.430 -16.380 1.00 0.00 O ATOM 409 CB MET A 28 11.528 1.229 -14.295 1.00 0.00 C ATOM 410 CG MET A 28 12.910 0.765 -13.799 1.00 0.00 C ATOM 411 SD MET A 28 13.011 0.930 -12.002 1.00 0.00 S ATOM 412 CE MET A 28 12.203 2.524 -11.748 1.00 0.00 C ATOM 0 H MET A 28 10.060 2.706 -15.744 1.00 0.00 H new ATOM 0 HA MET A 28 12.167 0.965 -16.301 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.448 2.304 -14.136 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.764 0.758 -13.676 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.079 -0.273 -14.087 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.693 1.358 -14.271 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.449 2.903 -10.756 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.548 3.231 -12.502 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.123 2.402 -11.832 1.00 0.00 H new ATOM 422 N PHE A 29 9.259 -0.578 -15.656 1.00 0.00 N ATOM 423 CA PHE A 29 8.497 -1.851 -15.762 1.00 0.00 C ATOM 424 C PHE A 29 8.328 -2.198 -17.267 1.00 0.00 C ATOM 425 O PHE A 29 8.367 -3.372 -17.652 1.00 0.00 O ATOM 426 CB PHE A 29 7.127 -1.739 -15.030 1.00 0.00 C ATOM 427 CG PHE A 29 7.211 -1.495 -13.510 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.454 -1.408 -12.872 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.041 -1.371 -12.750 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.525 -1.211 -11.494 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.115 -1.174 -11.373 1.00 0.00 C ATOM 432 CZ PHE A 29 7.356 -1.104 -10.746 1.00 0.00 C ATOM 0 H PHE A 29 8.701 0.207 -15.320 1.00 0.00 H new ATOM 0 HA PHE A 29 9.042 -2.658 -15.273 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.558 -0.926 -15.481 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.565 -2.656 -15.204 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.362 -1.494 -13.450 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.077 -1.428 -13.234 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.486 -1.141 -11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.210 -1.076 -10.792 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.412 -0.966 -9.676 1.00 0.00 H new ATOM 442 N ASP A 30 8.125 -1.160 -18.099 1.00 0.00 N ATOM 443 CA ASP A 30 7.926 -1.321 -19.564 1.00 0.00 C ATOM 444 C ASP A 30 9.193 -1.984 -20.169 1.00 0.00 C ATOM 445 O ASP A 30 10.264 -1.979 -19.551 1.00 0.00 O ATOM 446 CB ASP A 30 7.573 0.032 -20.248 1.00 0.00 C ATOM 447 CG ASP A 30 6.813 -0.062 -21.582 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.058 -1.039 -21.782 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.966 0.846 -22.430 1.00 0.00 O ATOM 0 H ASP A 30 8.093 -0.190 -17.785 1.00 0.00 H new ATOM 0 HA ASP A 30 7.071 -1.972 -19.748 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.975 0.622 -19.553 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.499 0.582 -20.418 1.00 0.00 H new ATOM 454 N ALA A 31 9.059 -2.524 -21.395 1.00 0.00 N ATOM 455 CA ALA A 31 10.174 -3.196 -22.115 1.00 0.00 C ATOM 456 C ALA A 31 10.344 -2.572 -23.527 1.00 0.00 C ATOM 457 O ALA A 31 11.469 -2.327 -23.978 1.00 0.00 O ATOM 458 CB ALA A 31 9.891 -4.709 -22.183 1.00 0.00 C ATOM 0 H ALA A 31 8.183 -2.511 -21.918 1.00 0.00 H new ATOM 0 HA ALA A 31 11.112 -3.050 -21.580 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.704 -5.208 -22.710 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.813 -5.110 -21.173 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.955 -4.881 -22.715 1.00 0.00 H new ATOM 464 N ASP A 32 9.211 -2.350 -24.219 1.00 0.00 N ATOM 465 CA ASP A 32 9.185 -1.726 -25.569 1.00 0.00 C ATOM 466 C ASP A 32 9.135 -0.184 -25.403 1.00 0.00 C ATOM 467 O ASP A 32 10.161 0.500 -25.515 1.00 0.00 O ATOM 468 CB ASP A 32 8.013 -2.275 -26.433 1.00 0.00 C ATOM 469 CG ASP A 32 6.879 -2.979 -25.666 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.945 -2.290 -25.200 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.922 -4.221 -25.531 1.00 0.00 O ATOM 0 H ASP A 32 8.286 -2.595 -23.865 1.00 0.00 H new ATOM 0 HA ASP A 32 10.093 -1.988 -26.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.584 -1.446 -26.996 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.422 -2.976 -27.161 1.00 0.00 H new ATOM 476 N GLY A 33 7.926 0.354 -25.156 1.00 0.00 N ATOM 477 CA GLY A 33 7.708 1.817 -25.000 1.00 0.00 C ATOM 478 C GLY A 33 6.648 2.347 -26.001 1.00 0.00 C ATOM 479 O GLY A 33 6.940 3.195 -26.852 1.00 0.00 O ATOM 0 H GLY A 33 7.076 -0.201 -25.058 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.386 2.031 -23.981 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.650 2.344 -25.154 1.00 0.00 H new ATOM 483 N GLY A 34 5.400 1.854 -25.865 1.00 0.00 N ATOM 484 CA GLY A 34 4.257 2.325 -26.687 1.00 0.00 C ATOM 485 C GLY A 34 3.379 3.309 -25.873 1.00 0.00 C ATOM 486 O GLY A 34 3.380 4.521 -26.119 1.00 0.00 O ATOM 0 H GLY A 34 5.154 1.128 -25.193 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.626 2.816 -27.588 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.658 1.474 -27.010 1.00 0.00 H new ATOM 490 N GLY A 35 2.649 2.769 -24.876 1.00 0.00 N ATOM 491 CA GLY A 35 1.842 3.587 -23.936 1.00 0.00 C ATOM 492 C GLY A 35 0.995 2.668 -23.019 1.00 0.00 C ATOM 493 O GLY A 35 -0.213 2.881 -22.851 1.00 0.00 O ATOM 0 H GLY A 35 2.599 1.766 -24.697 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.498 4.212 -23.331 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.189 4.258 -24.494 1.00 0.00 H new ATOM 497 N ASP A 36 1.643 1.629 -22.457 1.00 0.00 N ATOM 498 CA ASP A 36 1.003 0.688 -21.501 1.00 0.00 C ATOM 499 C ASP A 36 2.046 -0.386 -21.086 1.00 0.00 C ATOM 500 O ASP A 36 3.236 -0.269 -21.404 1.00 0.00 O ATOM 501 CB ASP A 36 -0.296 0.065 -22.091 1.00 0.00 C ATOM 502 CG ASP A 36 -0.321 -0.127 -23.617 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.764 -0.238 -24.230 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.424 -0.173 -24.204 1.00 0.00 O ATOM 0 H ASP A 36 2.622 1.414 -22.648 1.00 0.00 H new ATOM 0 HA ASP A 36 0.687 1.229 -20.609 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.456 -0.905 -21.620 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.138 0.698 -21.811 1.00 0.00 H new ATOM 509 N ILE A 37 1.581 -1.430 -20.374 1.00 0.00 N ATOM 510 CA ILE A 37 2.420 -2.579 -19.940 1.00 0.00 C ATOM 511 C ILE A 37 1.667 -3.904 -20.243 1.00 0.00 C ATOM 512 O ILE A 37 0.571 -3.893 -20.821 1.00 0.00 O ATOM 513 CB ILE A 37 2.906 -2.486 -18.445 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.759 -1.081 -17.780 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.344 -3.044 -18.290 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.905 -0.658 -16.847 1.00 0.00 C ATOM 0 H ILE A 37 0.608 -1.507 -20.079 1.00 0.00 H new ATOM 0 HA ILE A 37 3.344 -2.553 -20.518 1.00 0.00 H new ATOM 0 HB ILE A 37 2.215 -3.119 -17.888 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.664 -0.335 -18.569 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.829 -1.064 -17.212 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.654 -2.967 -17.248 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.364 -4.089 -18.598 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.027 -2.468 -18.915 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.698 0.333 -16.442 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.991 -1.374 -16.029 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.840 -0.633 -17.407 1.00 0.00 H new ATOM 528 N SER A 38 2.280 -5.045 -19.874 1.00 0.00 N ATOM 529 CA SER A 38 1.675 -6.389 -20.076 1.00 0.00 C ATOM 530 C SER A 38 2.167 -7.362 -18.969 1.00 0.00 C ATOM 531 O SER A 38 2.833 -6.951 -18.012 1.00 0.00 O ATOM 532 CB SER A 38 2.008 -6.896 -21.498 1.00 0.00 C ATOM 533 OG SER A 38 3.224 -7.638 -21.517 1.00 0.00 O ATOM 0 H SER A 38 3.199 -5.069 -19.432 1.00 0.00 H new ATOM 0 HA SER A 38 0.590 -6.330 -19.993 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.193 -7.522 -21.862 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.087 -6.048 -22.178 1.00 0.00 H new ATOM 0 HG SER A 38 3.405 -7.946 -22.430 1.00 0.00 H new ATOM 539 N THR A 39 1.807 -8.651 -19.112 1.00 0.00 N ATOM 540 CA THR A 39 2.175 -9.725 -18.151 1.00 0.00 C ATOM 541 C THR A 39 3.589 -10.274 -18.489 1.00 0.00 C ATOM 542 O THR A 39 4.271 -10.811 -17.601 1.00 0.00 O ATOM 543 CB THR A 39 1.095 -10.854 -18.102 1.00 0.00 C ATOM 544 OG1 THR A 39 0.493 -11.030 -19.382 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.030 -10.641 -17.072 1.00 0.00 C ATOM 0 H THR A 39 1.250 -8.985 -19.898 1.00 0.00 H new ATOM 0 HA THR A 39 2.209 -9.299 -17.148 1.00 0.00 H new ATOM 0 HB THR A 39 1.649 -11.739 -17.789 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.179 -11.742 -19.332 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.727 -11.478 -17.116 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.399 -10.579 -16.072 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.559 -9.715 -17.298 1.00 0.00 H new ATOM 553 N LYS A 40 4.022 -10.151 -19.762 1.00 0.00 N ATOM 554 CA LYS A 40 5.355 -10.652 -20.204 1.00 0.00 C ATOM 555 C LYS A 40 6.429 -9.605 -19.795 1.00 0.00 C ATOM 556 O LYS A 40 7.557 -9.971 -19.440 1.00 0.00 O ATOM 557 CB LYS A 40 5.352 -10.980 -21.726 1.00 0.00 C ATOM 558 CG LYS A 40 5.499 -12.482 -22.114 1.00 0.00 C ATOM 559 CD LYS A 40 4.376 -13.466 -21.707 1.00 0.00 C ATOM 560 CE LYS A 40 3.166 -13.576 -22.659 1.00 0.00 C ATOM 561 NZ LYS A 40 2.251 -12.422 -22.595 1.00 0.00 N ATOM 0 H LYS A 40 3.476 -9.712 -20.503 1.00 0.00 H new ATOM 0 HA LYS A 40 5.597 -11.594 -19.711 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.421 -10.607 -22.154 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.164 -10.425 -22.196 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.609 -12.535 -23.197 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.431 -12.846 -21.681 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.816 -14.458 -21.601 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.008 -13.174 -20.723 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.529 -13.684 -23.681 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.610 -14.483 -22.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.377 -12.643 -23.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.022 -12.215 -21.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.708 -11.593 -23.025 1.00 0.00 H new ATOM 575 N GLU A 41 6.063 -8.311 -19.851 1.00 0.00 N ATOM 576 CA GLU A 41 7.008 -7.190 -19.597 1.00 0.00 C ATOM 577 C GLU A 41 7.134 -6.971 -18.064 1.00 0.00 C ATOM 578 O GLU A 41 8.235 -6.752 -17.546 1.00 0.00 O ATOM 579 CB GLU A 41 6.577 -5.900 -20.353 1.00 0.00 C ATOM 580 CG GLU A 41 5.513 -6.037 -21.471 1.00 0.00 C ATOM 581 CD GLU A 41 5.036 -4.700 -22.049 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.884 -3.822 -22.322 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.811 -4.521 -22.229 1.00 0.00 O ATOM 0 H GLU A 41 5.114 -8.007 -20.071 1.00 0.00 H new ATOM 0 HA GLU A 41 7.992 -7.447 -19.988 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.199 -5.191 -19.616 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.470 -5.456 -20.793 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.925 -6.643 -22.278 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.653 -6.577 -21.075 1.00 0.00 H new ATOM 590 N LEU A 42 5.990 -7.030 -17.357 1.00 0.00 N ATOM 591 CA LEU A 42 5.918 -6.733 -15.901 1.00 0.00 C ATOM 592 C LEU A 42 6.804 -7.764 -15.152 1.00 0.00 C ATOM 593 O LEU A 42 7.483 -7.426 -14.175 1.00 0.00 O ATOM 594 CB LEU A 42 4.441 -6.767 -15.401 1.00 0.00 C ATOM 595 CG LEU A 42 4.195 -6.561 -13.878 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.391 -5.095 -13.441 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.791 -7.047 -13.469 1.00 0.00 C ATOM 0 H LEU A 42 5.092 -7.282 -17.769 1.00 0.00 H new ATOM 0 HA LEU A 42 6.290 -5.728 -15.702 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.886 -5.999 -15.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.012 -7.728 -15.685 1.00 0.00 H new ATOM 0 HG LEU A 42 4.944 -7.163 -13.364 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.207 -5.007 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.412 -4.783 -13.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.692 -4.457 -13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.649 -6.890 -12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.037 -6.487 -14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.693 -8.109 -13.696 1.00 0.00 H new ATOM 609 N GLY A 43 6.762 -9.031 -15.607 1.00 0.00 N ATOM 610 CA GLY A 43 7.461 -10.156 -14.937 1.00 0.00 C ATOM 611 C GLY A 43 8.956 -9.817 -14.706 1.00 0.00 C ATOM 612 O GLY A 43 9.566 -10.287 -13.735 1.00 0.00 O ATOM 0 H GLY A 43 6.248 -9.307 -16.443 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.981 -10.371 -13.982 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.378 -11.056 -15.546 1.00 0.00 H new ATOM 616 N THR A 44 9.531 -9.003 -15.610 1.00 0.00 N ATOM 617 CA THR A 44 10.980 -8.671 -15.600 1.00 0.00 C ATOM 618 C THR A 44 11.308 -7.894 -14.295 1.00 0.00 C ATOM 619 O THR A 44 12.195 -8.292 -13.530 1.00 0.00 O ATOM 620 CB THR A 44 11.414 -7.898 -16.886 1.00 0.00 C ATOM 621 OG1 THR A 44 11.443 -8.771 -18.012 1.00 0.00 O ATOM 622 CG2 THR A 44 12.779 -7.191 -16.797 1.00 0.00 C ATOM 0 H THR A 44 9.014 -8.556 -16.367 1.00 0.00 H new ATOM 0 HA THR A 44 11.561 -9.593 -15.612 1.00 0.00 H new ATOM 0 HB THR A 44 10.659 -7.120 -16.995 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.715 -8.269 -18.808 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.988 -6.684 -17.739 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.758 -6.460 -15.988 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.558 -7.928 -16.600 1.00 0.00 H new ATOM 630 N VAL A 45 10.598 -6.771 -14.076 1.00 0.00 N ATOM 631 CA VAL A 45 10.854 -5.848 -12.938 1.00 0.00 C ATOM 632 C VAL A 45 10.689 -6.665 -11.628 1.00 0.00 C ATOM 633 O VAL A 45 11.415 -6.440 -10.650 1.00 0.00 O ATOM 634 CB VAL A 45 9.947 -4.567 -13.004 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.287 -4.228 -11.646 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.676 -3.299 -13.514 1.00 0.00 C ATOM 0 H VAL A 45 9.831 -6.472 -14.678 1.00 0.00 H new ATOM 0 HA VAL A 45 11.870 -5.455 -12.981 1.00 0.00 H new ATOM 0 HB VAL A 45 9.182 -4.841 -13.731 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.673 -3.334 -11.753 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.662 -5.062 -11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.061 -4.049 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.980 -2.460 -13.529 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.509 -3.067 -12.851 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.053 -3.476 -14.521 1.00 0.00 H new ATOM 646 N MET A 46 9.723 -7.602 -11.618 1.00 0.00 N ATOM 647 CA MET A 46 9.369 -8.394 -10.409 1.00 0.00 C ATOM 648 C MET A 46 10.604 -9.255 -10.025 1.00 0.00 C ATOM 649 O MET A 46 10.872 -9.481 -8.840 1.00 0.00 O ATOM 650 CB MET A 46 8.099 -9.257 -10.646 1.00 0.00 C ATOM 651 CG MET A 46 6.753 -8.563 -10.365 1.00 0.00 C ATOM 652 SD MET A 46 5.999 -9.254 -8.875 1.00 0.00 S ATOM 653 CE MET A 46 5.557 -7.753 -7.975 1.00 0.00 C ATOM 0 H MET A 46 9.165 -7.836 -12.439 1.00 0.00 H new ATOM 0 HA MET A 46 9.121 -7.729 -9.582 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.102 -9.596 -11.682 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.165 -10.146 -10.019 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.906 -7.491 -10.241 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.083 -8.693 -11.215 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.081 -8.021 -7.032 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.456 -7.171 -7.775 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.866 -7.160 -8.574 1.00 0.00 H new ATOM 663 N ARG A 47 11.326 -9.750 -11.047 1.00 0.00 N ATOM 664 CA ARG A 47 12.471 -10.681 -10.862 1.00 0.00 C ATOM 665 C ARG A 47 13.552 -9.983 -9.991 1.00 0.00 C ATOM 666 O ARG A 47 14.215 -10.632 -9.173 1.00 0.00 O ATOM 667 CB ARG A 47 13.049 -11.116 -12.237 1.00 0.00 C ATOM 668 CG ARG A 47 14.535 -10.756 -12.462 1.00 0.00 C ATOM 669 CD ARG A 47 14.987 -10.920 -13.926 1.00 0.00 C ATOM 670 NE ARG A 47 16.464 -11.022 -14.049 1.00 0.00 N ATOM 671 CZ ARG A 47 17.238 -10.197 -14.783 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.770 -9.182 -15.508 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.542 -10.409 -14.787 1.00 0.00 N ATOM 0 H ARG A 47 11.139 -9.521 -12.023 1.00 0.00 H new ATOM 0 HA ARG A 47 12.133 -11.583 -10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.932 -12.195 -12.339 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.455 -10.655 -13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.703 -9.725 -12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.155 -11.387 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.526 -11.813 -14.349 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.633 -10.071 -14.511 1.00 0.00 H new ATOM 0 HE ARG A 47 16.928 -11.774 -13.539 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.768 -8.990 -15.530 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.413 -8.596 -16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.935 -11.179 -14.245 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.156 -9.803 -15.332 1.00 0.00 H new ATOM 687 N MET A 48 13.732 -8.665 -10.207 1.00 0.00 N ATOM 688 CA MET A 48 14.799 -7.874 -9.536 1.00 0.00 C ATOM 689 C MET A 48 14.704 -8.144 -8.009 1.00 0.00 C ATOM 690 O MET A 48 15.722 -8.146 -7.306 1.00 0.00 O ATOM 691 CB MET A 48 14.694 -6.359 -9.870 1.00 0.00 C ATOM 692 CG MET A 48 15.665 -5.841 -10.949 1.00 0.00 C ATOM 693 SD MET A 48 16.255 -4.190 -10.511 1.00 0.00 S ATOM 694 CE MET A 48 14.745 -3.217 -10.685 1.00 0.00 C ATOM 0 H MET A 48 13.152 -8.118 -10.843 1.00 0.00 H new ATOM 0 HA MET A 48 15.777 -8.185 -9.903 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.675 -6.147 -10.193 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.862 -5.792 -8.954 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.509 -6.523 -11.047 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.164 -5.812 -11.917 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.955 -2.174 -10.446 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.382 -3.289 -11.710 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.985 -3.600 -10.004 1.00 0.00 H new ATOM 704 N LEU A 49 13.470 -8.338 -7.509 1.00 0.00 N ATOM 705 CA LEU A 49 13.201 -8.562 -6.064 1.00 0.00 C ATOM 706 C LEU A 49 14.164 -9.671 -5.562 1.00 0.00 C ATOM 707 O LEU A 49 15.154 -9.395 -4.874 1.00 0.00 O ATOM 708 CB LEU A 49 11.708 -8.940 -5.828 1.00 0.00 C ATOM 709 CG LEU A 49 10.641 -7.833 -6.074 1.00 0.00 C ATOM 710 CD1 LEU A 49 9.324 -8.153 -5.339 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.140 -6.431 -5.669 1.00 0.00 C ATOM 0 H LEU A 49 12.630 -8.345 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 49 13.379 -7.647 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.469 -9.787 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.606 -9.283 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 49 10.456 -7.822 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.599 -7.362 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.928 -9.103 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.513 -8.221 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.358 -5.697 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.390 -6.426 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.026 -6.178 -6.251 1.00 0.00 H new ATOM 723 N GLY A 50 13.841 -10.938 -5.892 1.00 0.00 N ATOM 724 CA GLY A 50 14.606 -12.115 -5.410 1.00 0.00 C ATOM 725 C GLY A 50 14.211 -13.379 -6.215 1.00 0.00 C ATOM 726 O GLY A 50 15.069 -14.036 -6.821 1.00 0.00 O ATOM 0 H GLY A 50 13.052 -11.177 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.675 -11.929 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.411 -12.275 -4.350 1.00 0.00 H new ATOM 730 N GLN A 51 12.903 -13.697 -6.223 1.00 0.00 N ATOM 731 CA GLN A 51 12.360 -14.923 -6.864 1.00 0.00 C ATOM 732 C GLN A 51 12.115 -14.619 -8.367 1.00 0.00 C ATOM 733 O GLN A 51 12.389 -13.509 -8.841 1.00 0.00 O ATOM 734 CB GLN A 51 11.070 -15.390 -6.132 1.00 0.00 C ATOM 735 CG GLN A 51 9.906 -14.370 -6.082 1.00 0.00 C ATOM 736 CD GLN A 51 8.504 -15.003 -6.043 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.240 -16.011 -6.699 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.580 -14.432 -5.285 1.00 0.00 N ATOM 0 H GLN A 51 12.188 -13.115 -5.787 1.00 0.00 H new ATOM 0 HA GLN A 51 13.071 -15.746 -6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.710 -16.297 -6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.334 -15.659 -5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.030 -13.739 -5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.973 -13.719 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.808 -13.597 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.641 -14.827 -5.241 1.00 0.00 H new ATOM 747 N ASN A 52 11.626 -15.630 -9.109 1.00 0.00 N ATOM 748 CA ASN A 52 11.395 -15.525 -10.574 1.00 0.00 C ATOM 749 C ASN A 52 10.314 -16.568 -11.036 1.00 0.00 C ATOM 750 O ASN A 52 10.687 -17.725 -11.266 1.00 0.00 O ATOM 751 CB ASN A 52 12.752 -15.716 -11.307 1.00 0.00 C ATOM 752 CG ASN A 52 12.849 -15.026 -12.684 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.850 -14.842 -13.378 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.042 -14.627 -13.103 1.00 0.00 N ATOM 0 H ASN A 52 11.379 -16.540 -8.719 1.00 0.00 H new ATOM 0 HA ASN A 52 11.003 -14.540 -10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.550 -15.335 -10.669 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.931 -16.783 -11.438 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.136 -14.164 -14.007 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.865 -14.783 -12.522 1.00 0.00 H new ATOM 761 N PRO A 53 8.989 -16.239 -11.144 1.00 0.00 N ATOM 762 CA PRO A 53 7.934 -17.218 -11.512 1.00 0.00 C ATOM 763 C PRO A 53 7.914 -17.512 -13.037 1.00 0.00 C ATOM 764 O PRO A 53 8.782 -17.044 -13.783 1.00 0.00 O ATOM 765 CB PRO A 53 6.658 -16.530 -10.985 1.00 0.00 C ATOM 766 CG PRO A 53 6.941 -15.026 -11.030 1.00 0.00 C ATOM 767 CD PRO A 53 8.444 -14.906 -10.793 1.00 0.00 C ATOM 0 HA PRO A 53 8.075 -18.211 -11.086 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.795 -16.783 -11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.431 -16.854 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.657 -14.598 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.376 -14.494 -10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.881 -14.124 -11.413 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.662 -14.650 -9.756 1.00 0.00 H new ATOM 775 N THR A 54 6.928 -18.317 -13.477 1.00 0.00 N ATOM 776 CA THR A 54 6.765 -18.698 -14.905 1.00 0.00 C ATOM 777 C THR A 54 5.795 -17.693 -15.584 1.00 0.00 C ATOM 778 O THR A 54 5.469 -16.646 -15.013 1.00 0.00 O ATOM 779 CB THR A 54 6.308 -20.182 -15.068 1.00 0.00 C ATOM 780 OG1 THR A 54 6.827 -20.740 -16.274 1.00 0.00 O ATOM 781 CG2 THR A 54 4.784 -20.404 -15.060 1.00 0.00 C ATOM 0 H THR A 54 6.223 -18.723 -12.862 1.00 0.00 H new ATOM 0 HA THR A 54 7.731 -18.642 -15.406 1.00 0.00 H new ATOM 0 HB THR A 54 6.708 -20.680 -14.185 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.531 -21.671 -16.358 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.570 -21.466 -15.179 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.370 -20.055 -14.114 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.331 -19.848 -15.881 1.00 0.00 H new ATOM 789 N LYS A 55 5.367 -18.018 -16.818 1.00 0.00 N ATOM 790 CA LYS A 55 4.509 -17.126 -17.643 1.00 0.00 C ATOM 791 C LYS A 55 3.062 -17.201 -17.085 1.00 0.00 C ATOM 792 O LYS A 55 2.456 -16.174 -16.757 1.00 0.00 O ATOM 793 CB LYS A 55 4.595 -17.531 -19.146 1.00 0.00 C ATOM 794 CG LYS A 55 4.220 -16.452 -20.191 1.00 0.00 C ATOM 795 CD LYS A 55 2.848 -16.648 -20.877 1.00 0.00 C ATOM 796 CE LYS A 55 2.519 -18.106 -21.256 1.00 0.00 C ATOM 797 NZ LYS A 55 2.691 -18.388 -22.695 1.00 0.00 N ATOM 0 H LYS A 55 5.601 -18.899 -17.275 1.00 0.00 H new ATOM 0 HA LYS A 55 4.850 -16.092 -17.586 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.614 -17.859 -19.350 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.946 -18.392 -19.302 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.228 -15.478 -19.702 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.993 -16.429 -20.960 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.068 -16.275 -20.213 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.818 -16.037 -21.779 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.159 -18.777 -20.682 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.490 -18.325 -20.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.455 -19.383 -22.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.062 -17.771 -23.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.678 -18.209 -22.968 1.00 0.00 H new ATOM 811 N GLU A 56 2.525 -18.432 -16.986 1.00 0.00 N ATOM 812 CA GLU A 56 1.116 -18.673 -16.575 1.00 0.00 C ATOM 813 C GLU A 56 0.927 -18.128 -15.133 1.00 0.00 C ATOM 814 O GLU A 56 -0.122 -17.565 -14.802 1.00 0.00 O ATOM 815 CB GLU A 56 0.761 -20.180 -16.724 1.00 0.00 C ATOM 816 CG GLU A 56 -0.692 -20.510 -17.143 1.00 0.00 C ATOM 817 CD GLU A 56 -1.294 -21.718 -16.420 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.063 -21.870 -15.199 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.997 -22.524 -17.069 1.00 0.00 O ATOM 0 H GLU A 56 3.046 -19.286 -17.186 1.00 0.00 H new ATOM 0 HA GLU A 56 0.420 -18.141 -17.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.436 -20.618 -17.459 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.962 -20.673 -15.773 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.319 -19.639 -16.955 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.716 -20.694 -18.217 1.00 0.00 H new ATOM 826 N GLU A 57 1.960 -18.308 -14.288 1.00 0.00 N ATOM 827 CA GLU A 57 1.902 -17.944 -12.847 1.00 0.00 C ATOM 828 C GLU A 57 1.803 -16.400 -12.720 1.00 0.00 C ATOM 829 O GLU A 57 1.120 -15.881 -11.828 1.00 0.00 O ATOM 830 CB GLU A 57 3.112 -18.534 -12.066 1.00 0.00 C ATOM 831 CG GLU A 57 3.607 -17.767 -10.815 1.00 0.00 C ATOM 832 CD GLU A 57 2.814 -18.068 -9.539 1.00 0.00 C ATOM 833 OE1 GLU A 57 1.668 -17.582 -9.410 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.332 -18.793 -8.661 1.00 0.00 O ATOM 0 H GLU A 57 2.854 -18.706 -14.575 1.00 0.00 H new ATOM 0 HA GLU A 57 1.013 -18.382 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.850 -19.546 -11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.949 -18.619 -12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.655 -18.012 -10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.558 -16.697 -11.016 1.00 0.00 H new ATOM 841 N LEU A 58 2.469 -15.680 -13.642 1.00 0.00 N ATOM 842 CA LEU A 58 2.430 -14.195 -13.695 1.00 0.00 C ATOM 843 C LEU A 58 0.998 -13.744 -14.091 1.00 0.00 C ATOM 844 O LEU A 58 0.491 -12.736 -13.585 1.00 0.00 O ATOM 845 CB LEU A 58 3.538 -13.702 -14.670 1.00 0.00 C ATOM 846 CG LEU A 58 4.699 -12.875 -14.048 1.00 0.00 C ATOM 847 CD1 LEU A 58 6.025 -13.169 -14.778 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.428 -11.355 -14.050 1.00 0.00 C ATOM 0 H LEU A 58 3.047 -16.101 -14.369 1.00 0.00 H new ATOM 0 HA LEU A 58 2.641 -13.746 -12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.968 -14.573 -15.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.066 -13.097 -15.444 1.00 0.00 H new ATOM 0 HG LEU A 58 4.773 -13.187 -13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.826 -12.581 -14.329 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.261 -14.230 -14.691 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.927 -12.904 -15.831 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.275 -10.834 -13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.290 -11.011 -15.075 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.527 -11.145 -13.473 1.00 0.00 H new ATOM 860 N ASP A 59 0.353 -14.525 -14.978 1.00 0.00 N ATOM 861 CA ASP A 59 -1.010 -14.224 -15.491 1.00 0.00 C ATOM 862 C ASP A 59 -2.009 -14.257 -14.303 1.00 0.00 C ATOM 863 O ASP A 59 -3.016 -13.537 -14.305 1.00 0.00 O ATOM 864 CB ASP A 59 -1.416 -15.189 -16.642 1.00 0.00 C ATOM 865 CG ASP A 59 -0.636 -15.035 -17.960 1.00 0.00 C ATOM 866 OD1 ASP A 59 0.553 -14.652 -17.917 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.215 -15.291 -19.039 1.00 0.00 O ATOM 0 H ASP A 59 0.754 -15.380 -15.362 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.024 -13.226 -15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.296 -16.213 -16.290 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.476 -15.046 -16.852 1.00 0.00 H new ATOM 872 N ALA A 60 -1.716 -15.100 -13.296 1.00 0.00 N ATOM 873 CA ALA A 60 -2.514 -15.176 -12.043 1.00 0.00 C ATOM 874 C ALA A 60 -2.415 -13.833 -11.268 1.00 0.00 C ATOM 875 O ALA A 60 -3.421 -13.320 -10.765 1.00 0.00 O ATOM 876 CB ALA A 60 -2.016 -16.366 -11.199 1.00 0.00 C ATOM 0 H ALA A 60 -0.927 -15.746 -13.320 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.566 -15.340 -12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.597 -16.428 -10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.135 -17.289 -11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.963 -16.224 -10.955 1.00 0.00 H new ATOM 882 N ILE A 61 -1.186 -13.291 -11.174 1.00 0.00 N ATOM 883 CA ILE A 61 -0.892 -12.069 -10.378 1.00 0.00 C ATOM 884 C ILE A 61 -1.868 -10.973 -10.891 1.00 0.00 C ATOM 885 O ILE A 61 -2.548 -10.315 -10.093 1.00 0.00 O ATOM 886 CB ILE A 61 0.632 -11.679 -10.438 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.415 -12.104 -9.155 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.850 -10.168 -10.717 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.075 -10.962 -8.364 1.00 0.00 C ATOM 0 H ILE A 61 -0.368 -13.680 -11.643 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.060 -12.224 -9.312 1.00 0.00 H new ATOM 0 HB ILE A 61 1.036 -12.241 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.729 -12.631 -8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.189 -12.815 -9.444 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.918 -9.954 -10.748 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.400 -9.906 -11.674 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.385 -9.581 -9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.590 -11.372 -7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.793 -10.446 -9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.310 -10.258 -8.034 1.00 0.00 H new ATOM 901 N ILE A 62 -1.923 -10.794 -12.223 1.00 0.00 N ATOM 902 CA ILE A 62 -2.735 -9.733 -12.880 1.00 0.00 C ATOM 903 C ILE A 62 -4.222 -10.077 -12.590 1.00 0.00 C ATOM 904 O ILE A 62 -5.059 -9.176 -12.453 1.00 0.00 O ATOM 905 CB ILE A 62 -2.374 -9.578 -14.404 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.918 -9.060 -14.630 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.383 -8.677 -15.167 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.720 -8.115 -15.826 1.00 0.00 C ATOM 0 H ILE A 62 -1.408 -11.378 -12.882 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.519 -8.744 -12.477 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.440 -10.585 -14.816 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.592 -8.545 -13.727 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.263 -9.921 -14.760 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.087 -8.604 -16.213 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.380 -9.112 -15.102 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.391 -7.682 -14.722 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.327 -7.819 -15.886 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.006 -8.626 -16.745 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.341 -7.228 -15.696 1.00 0.00 H new ATOM 920 N GLU A 63 -4.541 -11.384 -12.531 1.00 0.00 N ATOM 921 CA GLU A 63 -5.920 -11.876 -12.264 1.00 0.00 C ATOM 922 C GLU A 63 -6.499 -11.092 -11.055 1.00 0.00 C ATOM 923 O GLU A 63 -7.636 -10.606 -11.105 1.00 0.00 O ATOM 924 CB GLU A 63 -5.920 -13.419 -12.059 1.00 0.00 C ATOM 925 CG GLU A 63 -7.217 -14.169 -12.445 1.00 0.00 C ATOM 926 CD GLU A 63 -7.812 -13.743 -13.791 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.170 -13.980 -14.838 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.925 -13.172 -13.807 1.00 0.00 O ATOM 0 H GLU A 63 -3.859 -12.131 -12.665 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.569 -11.693 -13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.098 -13.840 -12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.708 -13.623 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.010 -15.239 -12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.961 -14.010 -11.665 1.00 0.00 H new ATOM 935 N GLU A 64 -5.704 -10.990 -9.974 1.00 0.00 N ATOM 936 CA GLU A 64 -6.124 -10.309 -8.720 1.00 0.00 C ATOM 937 C GLU A 64 -6.692 -8.911 -9.088 1.00 0.00 C ATOM 938 O GLU A 64 -7.903 -8.677 -8.996 1.00 0.00 O ATOM 939 CB GLU A 64 -4.939 -10.256 -7.714 1.00 0.00 C ATOM 940 CG GLU A 64 -4.953 -11.303 -6.574 1.00 0.00 C ATOM 941 CD GLU A 64 -4.915 -12.756 -7.057 1.00 0.00 C ATOM 942 OE1 GLU A 64 -5.924 -13.232 -7.623 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.874 -13.427 -6.877 1.00 0.00 O ATOM 0 H GLU A 64 -4.759 -11.372 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.915 -10.864 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.011 -10.373 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.917 -9.263 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.097 -11.126 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.849 -11.155 -5.971 1.00 0.00 H new ATOM 950 N VAL A 65 -5.802 -8.004 -9.531 1.00 0.00 N ATOM 951 CA VAL A 65 -6.182 -6.634 -9.970 1.00 0.00 C ATOM 952 C VAL A 65 -7.039 -6.779 -11.257 1.00 0.00 C ATOM 953 O VAL A 65 -7.533 -7.871 -11.566 1.00 0.00 O ATOM 954 CB VAL A 65 -4.929 -5.704 -10.144 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.280 -5.767 -11.550 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.233 -4.221 -9.823 1.00 0.00 C ATOM 0 H VAL A 65 -4.802 -8.192 -9.597 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.777 -6.134 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.220 -6.104 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.422 -5.095 -11.585 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.952 -6.786 -11.754 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.009 -5.464 -12.301 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.330 -3.626 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.013 -3.857 -10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.571 -4.134 -8.790 1.00 0.00 H new ATOM 966 N ASP A 66 -7.209 -5.668 -11.999 1.00 0.00 N ATOM 967 CA ASP A 66 -8.003 -5.646 -13.257 1.00 0.00 C ATOM 968 C ASP A 66 -9.513 -5.631 -12.889 1.00 0.00 C ATOM 969 O ASP A 66 -10.240 -6.600 -13.138 1.00 0.00 O ATOM 970 CB ASP A 66 -7.623 -6.827 -14.197 1.00 0.00 C ATOM 971 CG ASP A 66 -7.601 -6.512 -15.702 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.302 -5.356 -16.075 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.891 -7.419 -16.514 1.00 0.00 O ATOM 0 H ASP A 66 -6.806 -4.764 -11.752 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.774 -4.743 -13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.637 -7.192 -13.908 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.327 -7.641 -14.027 1.00 0.00 H new ATOM 978 N GLU A 67 -9.957 -4.523 -12.266 1.00 0.00 N ATOM 979 CA GLU A 67 -11.382 -4.301 -11.904 1.00 0.00 C ATOM 980 C GLU A 67 -12.169 -3.885 -13.177 1.00 0.00 C ATOM 981 O GLU A 67 -13.376 -4.143 -13.281 1.00 0.00 O ATOM 982 CB GLU A 67 -11.489 -3.267 -10.745 1.00 0.00 C ATOM 983 CG GLU A 67 -11.901 -3.824 -9.361 1.00 0.00 C ATOM 984 CD GLU A 67 -12.572 -2.797 -8.444 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.284 -1.586 -8.579 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.387 -3.195 -7.583 1.00 0.00 O ATOM 0 H GLU A 67 -9.344 -3.754 -11.997 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.832 -5.221 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.524 -2.771 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.211 -2.503 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.582 -4.663 -9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.015 -4.216 -8.861 1.00 0.00 H new ATOM 993 N ASP A 68 -11.481 -3.232 -14.135 1.00 0.00 N ATOM 994 CA ASP A 68 -12.108 -2.729 -15.388 1.00 0.00 C ATOM 995 C ASP A 68 -12.238 -3.908 -16.391 1.00 0.00 C ATOM 996 O ASP A 68 -13.324 -4.474 -16.569 1.00 0.00 O ATOM 997 CB ASP A 68 -11.329 -1.520 -15.988 1.00 0.00 C ATOM 998 CG ASP A 68 -9.855 -1.392 -15.568 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.578 -0.776 -14.515 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.971 -1.911 -16.286 1.00 0.00 O ATOM 0 H ASP A 68 -10.482 -3.036 -14.069 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.104 -2.347 -15.163 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.372 -1.589 -17.075 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.847 -0.603 -15.706 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.110 -4.291 -17.022 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.075 -5.423 -17.982 1.00 0.00 C ATOM 1007 C GLY A 69 -10.280 -5.027 -19.254 1.00 0.00 C ATOM 1008 O GLY A 69 -10.732 -4.192 -20.046 1.00 0.00 O ATOM 0 H GLY A 69 -10.208 -3.835 -16.887 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.614 -6.292 -17.513 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.091 -5.709 -18.254 1.00 0.00 H new ATOM 1012 N SER A 70 -9.095 -5.642 -19.430 1.00 0.00 N ATOM 1013 CA SER A 70 -8.179 -5.344 -20.562 1.00 0.00 C ATOM 1014 C SER A 70 -7.022 -6.378 -20.589 1.00 0.00 C ATOM 1015 O SER A 70 -6.745 -7.003 -21.619 1.00 0.00 O ATOM 1016 CB SER A 70 -7.667 -3.890 -20.440 1.00 0.00 C ATOM 1017 OG SER A 70 -7.229 -3.603 -19.116 1.00 0.00 O ATOM 0 H SER A 70 -8.741 -6.359 -18.796 1.00 0.00 H new ATOM 0 HA SER A 70 -8.709 -5.429 -21.510 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.846 -3.732 -21.139 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.461 -3.198 -20.720 1.00 0.00 H new ATOM 0 HG SER A 70 -6.910 -2.678 -19.070 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.327 -6.527 -19.443 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.172 -7.452 -19.320 1.00 0.00 C ATOM 1025 C GLY A 71 -3.842 -6.677 -19.511 1.00 0.00 C ATOM 1026 O GLY A 71 -2.861 -7.223 -20.030 1.00 0.00 O ATOM 0 H GLY A 71 -6.543 -6.019 -18.585 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.184 -7.932 -18.342 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.250 -8.244 -20.065 1.00 0.00 H new ATOM 1030 N THR A 72 -3.832 -5.400 -19.082 1.00 0.00 N ATOM 1031 CA THR A 72 -2.642 -4.513 -19.173 1.00 0.00 C ATOM 1032 C THR A 72 -2.709 -3.468 -18.026 1.00 0.00 C ATOM 1033 O THR A 72 -3.678 -3.435 -17.255 1.00 0.00 O ATOM 1034 CB THR A 72 -2.507 -3.854 -20.582 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.660 -3.073 -20.885 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.277 -4.836 -21.746 1.00 0.00 C ATOM 0 H THR A 72 -4.645 -4.949 -18.662 1.00 0.00 H new ATOM 0 HA THR A 72 -1.737 -5.109 -19.050 1.00 0.00 H new ATOM 0 HB THR A 72 -1.610 -3.239 -20.503 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.556 -2.667 -21.771 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.197 -4.280 -22.680 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.356 -5.394 -21.575 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.115 -5.530 -21.808 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.684 -2.599 -17.942 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.594 -1.537 -16.904 1.00 0.00 C ATOM 1046 C ILE A 73 -1.077 -0.264 -17.630 1.00 0.00 C ATOM 1047 O ILE A 73 0.132 -0.106 -17.840 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.727 -1.992 -15.670 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.199 -3.355 -15.070 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.666 -0.914 -14.554 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.382 -3.284 -14.091 1.00 0.00 C ATOM 0 H ILE A 73 -0.894 -2.607 -18.587 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.563 -1.321 -16.454 1.00 0.00 H new ATOM 0 HB ILE A 73 0.280 -2.129 -16.065 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.472 -4.017 -15.892 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.355 -3.816 -14.557 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.056 -1.280 -13.728 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.225 -0.001 -14.954 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.674 -0.704 -14.196 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.623 -4.287 -13.738 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.114 -2.655 -13.242 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.249 -2.859 -14.598 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.007 0.631 -18.014 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.672 1.897 -18.719 1.00 0.00 C ATOM 1065 C ASP A 74 -1.107 2.916 -17.691 1.00 0.00 C ATOM 1066 O ASP A 74 -0.832 2.576 -16.532 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.895 2.456 -19.503 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.854 1.410 -20.095 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.381 0.350 -20.563 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.082 1.646 -20.095 1.00 0.00 O ATOM 0 H ASP A 74 -3.006 0.505 -17.849 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.904 1.703 -19.468 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.463 3.104 -18.836 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.525 3.081 -20.316 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.931 4.176 -18.136 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.420 5.277 -17.274 1.00 0.00 C ATOM 1077 C PHE A 75 -1.582 5.782 -16.377 1.00 0.00 C ATOM 1078 O PHE A 75 -1.370 6.155 -15.217 1.00 0.00 O ATOM 1079 CB PHE A 75 0.188 6.417 -18.142 1.00 0.00 C ATOM 1080 CG PHE A 75 0.993 7.479 -17.366 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.598 7.153 -16.146 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.126 8.778 -17.871 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.327 8.111 -15.445 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.856 9.734 -17.167 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.454 9.400 -15.955 1.00 0.00 C ATOM 0 H PHE A 75 -1.135 4.464 -19.093 1.00 0.00 H new ATOM 0 HA PHE A 75 0.383 4.912 -16.634 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.838 5.971 -18.895 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.621 6.916 -18.675 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.499 6.154 -15.747 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.661 9.040 -18.810 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.794 7.854 -14.506 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.958 10.734 -17.562 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.018 10.142 -15.409 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.807 5.784 -16.935 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.012 6.318 -16.247 1.00 0.00 C ATOM 1097 C GLU A 76 -4.381 5.379 -15.066 1.00 0.00 C ATOM 1098 O GLU A 76 -4.782 5.843 -13.992 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.189 6.515 -17.246 1.00 0.00 C ATOM 1100 CG GLU A 76 -6.228 5.373 -17.370 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.300 5.611 -18.439 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.825 6.743 -18.528 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.624 4.666 -19.192 1.00 0.00 O ATOM 0 H GLU A 76 -2.996 5.420 -17.869 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.796 7.306 -15.841 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.721 7.423 -16.962 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.764 6.690 -18.234 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.705 4.444 -17.597 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.717 5.236 -16.406 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.210 4.061 -15.280 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.552 3.016 -14.279 1.00 0.00 C ATOM 1112 C GLU A 77 -3.396 2.891 -13.250 1.00 0.00 C ATOM 1113 O GLU A 77 -3.625 2.560 -12.080 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.869 1.651 -14.957 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.807 0.399 -14.051 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.108 -0.901 -14.801 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.839 -0.973 -16.021 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.620 -1.856 -14.176 1.00 0.00 O ATOM 0 H GLU A 77 -3.832 3.684 -16.149 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.459 3.316 -13.754 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.867 1.709 -15.390 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.171 1.510 -15.782 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.816 0.331 -13.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.520 0.513 -13.234 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.158 3.156 -13.705 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.942 3.079 -12.851 1.00 0.00 C ATOM 1127 C PHE A 78 -1.072 4.120 -11.706 1.00 0.00 C ATOM 1128 O PHE A 78 -0.657 3.863 -10.569 1.00 0.00 O ATOM 1129 CB PHE A 78 0.343 3.290 -13.709 1.00 0.00 C ATOM 1130 CG PHE A 78 1.668 3.273 -12.919 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.113 2.090 -12.318 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.432 4.439 -12.784 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.312 2.069 -11.609 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.629 4.415 -12.073 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.067 3.231 -11.485 1.00 0.00 C ATOM 0 H PHE A 78 -1.965 3.429 -14.669 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.853 2.089 -12.404 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.383 2.513 -14.472 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.261 4.244 -14.230 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.524 1.189 -12.404 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.091 5.360 -13.233 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.655 1.151 -11.156 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.218 5.315 -11.977 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.994 3.215 -10.932 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.623 5.303 -12.034 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.787 6.419 -11.066 1.00 0.00 C ATOM 1147 C LEU A 79 -2.833 5.981 -10.003 1.00 0.00 C ATOM 1148 O LEU A 79 -2.623 6.166 -8.798 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.215 7.730 -11.793 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.085 8.655 -12.331 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.586 9.528 -13.498 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.478 9.549 -11.230 1.00 0.00 C ATOM 0 H LEU A 79 -1.967 5.518 -12.970 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.839 6.636 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.854 7.456 -12.633 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.827 8.312 -11.104 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.297 7.994 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.774 10.163 -13.852 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.927 8.887 -14.311 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.412 10.152 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.305 10.174 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.257 10.183 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.053 8.923 -10.446 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.969 5.430 -10.471 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.071 4.959 -9.590 1.00 0.00 C ATOM 1166 C VAL A 80 -4.468 3.979 -8.545 1.00 0.00 C ATOM 1167 O VAL A 80 -5.015 3.831 -7.444 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.258 4.344 -10.415 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.291 3.568 -9.560 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.022 5.403 -11.246 1.00 0.00 C ATOM 0 H VAL A 80 -4.155 5.296 -11.465 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.516 5.800 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.760 3.637 -11.079 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.077 3.176 -10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.795 2.742 -9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.729 4.239 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.831 4.921 -11.795 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.437 6.159 -10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.337 5.876 -11.950 1.00 0.00 H new ATOM 1180 N MET A 81 -3.366 3.297 -8.908 1.00 0.00 N ATOM 1181 CA MET A 81 -2.679 2.316 -8.024 1.00 0.00 C ATOM 1182 C MET A 81 -2.272 3.032 -6.706 1.00 0.00 C ATOM 1183 O MET A 81 -2.828 2.743 -5.638 1.00 0.00 O ATOM 1184 CB MET A 81 -1.457 1.668 -8.736 1.00 0.00 C ATOM 1185 CG MET A 81 -1.279 0.154 -8.517 1.00 0.00 C ATOM 1186 SD MET A 81 -2.668 -0.744 -9.244 1.00 0.00 S ATOM 1187 CE MET A 81 -1.845 -1.661 -10.563 1.00 0.00 C ATOM 0 H MET A 81 -2.921 3.405 -9.820 1.00 0.00 H new ATOM 0 HA MET A 81 -3.360 1.499 -7.787 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.544 1.853 -9.807 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.553 2.174 -8.397 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.344 -0.179 -8.968 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.214 -0.062 -7.451 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.518 -2.427 -10.948 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.575 -0.977 -11.368 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.944 -2.133 -10.171 1.00 0.00 H new ATOM 1197 N MET A 82 -1.275 3.932 -6.789 1.00 0.00 N ATOM 1198 CA MET A 82 -0.690 4.606 -5.600 1.00 0.00 C ATOM 1199 C MET A 82 -1.795 5.334 -4.790 1.00 0.00 C ATOM 1200 O MET A 82 -1.711 5.431 -3.559 1.00 0.00 O ATOM 1201 CB MET A 82 0.439 5.582 -6.051 1.00 0.00 C ATOM 1202 CG MET A 82 -0.046 6.853 -6.772 1.00 0.00 C ATOM 1203 SD MET A 82 0.877 8.326 -6.288 1.00 0.00 S ATOM 1204 CE MET A 82 2.476 7.655 -5.795 1.00 0.00 C ATOM 0 H MET A 82 -0.850 4.215 -7.672 1.00 0.00 H new ATOM 0 HA MET A 82 -0.246 3.860 -4.941 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.014 5.878 -5.174 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.119 5.045 -6.712 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.044 6.711 -7.849 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.104 7.006 -6.558 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.168 8.473 -5.596 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.356 7.054 -4.894 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.872 7.032 -6.597 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.809 5.871 -5.495 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.877 6.710 -4.886 1.00 0.00 C ATOM 1216 C VAL A 83 -4.740 5.798 -3.973 1.00 0.00 C ATOM 1217 O VAL A 83 -5.191 6.225 -2.902 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.704 7.482 -5.976 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.214 7.551 -5.647 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.206 8.924 -6.246 1.00 0.00 C ATOM 0 H VAL A 83 -2.917 5.740 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.441 7.498 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.546 6.887 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.734 8.096 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.618 6.541 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.356 8.065 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.830 9.387 -7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.265 9.507 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.172 8.893 -6.591 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.965 4.546 -4.413 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.862 3.582 -3.720 1.00 0.00 C ATOM 1232 C ARG A 84 -5.322 3.366 -2.280 1.00 0.00 C ATOM 1233 O ARG A 84 -6.088 3.393 -1.308 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.934 2.241 -4.505 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.365 1.734 -4.803 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.412 0.747 -5.985 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.991 -0.561 -5.588 1.00 0.00 N ATOM 1238 CZ ARG A 84 -7.312 -1.541 -4.958 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -6.013 -1.713 -5.163 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.917 -2.350 -4.099 1.00 0.00 N ATOM 0 H ARG A 84 -4.534 4.168 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.876 3.978 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.403 2.361 -5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.405 1.476 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.767 1.249 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.010 2.586 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.004 1.176 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.405 0.596 -6.373 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.973 -0.731 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.512 -1.099 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.515 -2.459 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.912 -2.236 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.387 -3.086 -3.632 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.003 3.123 -2.164 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.348 2.785 -0.872 1.00 0.00 C ATOM 1256 C GLN A 85 -3.256 4.075 -0.011 1.00 0.00 C ATOM 1257 O GLN A 85 -3.344 4.018 1.221 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.956 2.140 -1.130 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.932 0.598 -1.264 1.00 0.00 C ATOM 1260 CD GLN A 85 -1.189 -0.129 -0.129 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -1.690 -1.094 0.447 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.010 0.316 0.218 1.00 0.00 N ATOM 0 H GLN A 85 -3.359 3.153 -2.954 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.936 2.049 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.543 2.570 -2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.290 2.424 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.958 0.233 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.465 0.336 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.416 1.117 -0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.526 -0.142 0.969 1.00 0.00 H new ATOM 1271 N MET A 86 -3.063 5.226 -0.680 1.00 0.00 N ATOM 1272 CA MET A 86 -2.853 6.537 -0.008 1.00 0.00 C ATOM 1273 C MET A 86 -4.001 6.743 1.017 1.00 0.00 C ATOM 1274 O MET A 86 -3.805 7.373 2.064 1.00 0.00 O ATOM 1275 CB MET A 86 -2.771 7.696 -1.041 1.00 0.00 C ATOM 1276 CG MET A 86 -1.482 8.538 -1.006 1.00 0.00 C ATOM 1277 SD MET A 86 -1.874 10.255 -0.603 1.00 0.00 S ATOM 1278 CE MET A 86 -3.206 10.596 -1.771 1.00 0.00 C ATOM 0 H MET A 86 -3.047 5.282 -1.698 1.00 0.00 H new ATOM 0 HA MET A 86 -1.898 6.540 0.518 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.880 7.275 -2.040 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.620 8.360 -0.881 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.792 8.131 -0.267 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.979 8.488 -1.972 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.587 11.604 -1.605 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.826 10.515 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.011 9.875 -1.626 1.00 0.00 H new ATOM 1288 N LYS A 87 -5.201 6.232 0.684 1.00 0.00 N ATOM 1289 CA LYS A 87 -6.415 6.370 1.533 1.00 0.00 C ATOM 1290 C LYS A 87 -6.042 6.000 2.994 1.00 0.00 C ATOM 1291 O LYS A 87 -5.323 5.022 3.234 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.575 5.460 1.038 1.00 0.00 C ATOM 1293 CG LYS A 87 -8.475 6.069 -0.062 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.932 6.346 0.365 1.00 0.00 C ATOM 1295 CE LYS A 87 -10.101 6.822 1.822 1.00 0.00 C ATOM 1296 NZ LYS A 87 -11.310 7.649 1.982 1.00 0.00 N ATOM 0 H LYS A 87 -5.364 5.712 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.764 7.401 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.149 4.530 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.200 5.201 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.028 7.004 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.485 5.393 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.353 7.100 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.516 5.436 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.159 5.958 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.224 7.395 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.394 7.953 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.242 8.486 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.148 7.093 1.718 1.00 0.00 H new