USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 GLN : amide:sc= 0 X(o=-0.8,f=-0.93) USER MOD Set 1.2: A 7 GLN : amide:sc= -0.8 X(o=-0.8,f=-1.1) 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 164:sc= -3.32! (180deg=-4.14!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0719 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 -151:sc= -1.1 (180deg=-2.43) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0218 K(o=-0.022,f=-0.98) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.042) 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 -91:sc= 1 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00796 USER MOD Single : A 81 MET CE :methyl -127:sc= -2.76! (180deg=-7.61!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.06) USER MOD Single : A 86 MET CE :methyl 138:sc= -9.1! (180deg=-12.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.916 7.029 -12.122 1.00 0.00 N ATOM 56 CA ASP A 5 -14.818 7.813 -10.862 1.00 0.00 C ATOM 57 C ASP A 5 -13.480 7.459 -10.158 1.00 0.00 C ATOM 58 O ASP A 5 -12.825 8.327 -9.570 1.00 0.00 O ATOM 59 CB ASP A 5 -16.055 7.584 -9.946 1.00 0.00 C ATOM 60 CG ASP A 5 -16.810 6.259 -10.148 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.275 5.193 -9.771 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.937 6.281 -10.691 1.00 0.00 O ATOM 0 HA ASP A 5 -14.819 8.878 -11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.728 7.638 -8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.755 8.405 -10.103 1.00 0.00 H new ATOM 67 N GLN A 6 -13.107 6.166 -10.207 1.00 0.00 N ATOM 68 CA GLN A 6 -11.917 5.632 -9.495 1.00 0.00 C ATOM 69 C GLN A 6 -10.689 6.513 -9.854 1.00 0.00 C ATOM 70 O GLN A 6 -9.791 6.709 -9.026 1.00 0.00 O ATOM 71 CB GLN A 6 -11.699 4.134 -9.858 1.00 0.00 C ATOM 72 CG GLN A 6 -10.803 3.853 -11.089 1.00 0.00 C ATOM 73 CD GLN A 6 -10.352 2.388 -11.229 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.031 1.465 -10.780 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.209 2.142 -11.851 1.00 0.00 N ATOM 0 H GLN A 6 -13.616 5.459 -10.738 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.065 5.673 -8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.262 3.632 -8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.674 3.678 -10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.345 4.141 -11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.919 4.488 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.653 2.913 -12.220 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.885 1.181 -11.961 1.00 0.00 H new ATOM 84 N GLN A 7 -10.654 7.011 -11.104 1.00 0.00 N ATOM 85 CA GLN A 7 -9.499 7.778 -11.643 1.00 0.00 C ATOM 86 C GLN A 7 -9.705 9.284 -11.326 1.00 0.00 C ATOM 87 O GLN A 7 -8.744 10.000 -11.019 1.00 0.00 O ATOM 88 CB GLN A 7 -9.353 7.578 -13.179 1.00 0.00 C ATOM 89 CG GLN A 7 -8.783 6.216 -13.637 1.00 0.00 C ATOM 90 CD GLN A 7 -9.858 5.301 -14.245 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.929 4.110 -13.942 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.713 5.827 -15.110 1.00 0.00 N ATOM 0 H GLN A 7 -11.417 6.898 -11.771 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.586 7.413 -11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.333 7.711 -13.637 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.710 8.367 -13.568 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.996 6.384 -14.372 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.323 5.714 -12.786 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.647 6.815 -15.356 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.437 5.244 -15.530 1.00 0.00 H new ATOM 101 N ALA A 8 -10.964 9.751 -11.410 1.00 0.00 N ATOM 102 CA ALA A 8 -11.325 11.169 -11.144 1.00 0.00 C ATOM 103 C ALA A 8 -10.658 11.667 -9.833 1.00 0.00 C ATOM 104 O ALA A 8 -10.345 12.857 -9.698 1.00 0.00 O ATOM 105 CB ALA A 8 -12.861 11.292 -11.086 1.00 0.00 C ATOM 0 H ALA A 8 -11.760 9.166 -11.662 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.954 11.803 -11.950 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.136 12.329 -10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.288 10.976 -12.038 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.247 10.658 -10.288 1.00 0.00 H new ATOM 111 N GLU A 9 -10.444 10.743 -8.878 1.00 0.00 N ATOM 112 CA GLU A 9 -9.910 11.068 -7.528 1.00 0.00 C ATOM 113 C GLU A 9 -8.369 11.244 -7.601 1.00 0.00 C ATOM 114 O GLU A 9 -7.824 12.235 -7.095 1.00 0.00 O ATOM 115 CB GLU A 9 -10.313 9.992 -6.477 1.00 0.00 C ATOM 116 CG GLU A 9 -10.257 8.518 -6.943 1.00 0.00 C ATOM 117 CD GLU A 9 -10.426 7.518 -5.797 1.00 0.00 C ATOM 118 OE1 GLU A 9 -9.877 7.756 -4.699 1.00 0.00 O ATOM 119 OE2 GLU A 9 -11.105 6.485 -5.990 1.00 0.00 O ATOM 0 H GLU A 9 -10.634 9.750 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.352 12.008 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.661 10.101 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.328 10.206 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.038 8.348 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.303 8.336 -7.438 1.00 0.00 H new ATOM 126 N ALA A 10 -7.675 10.262 -8.206 1.00 0.00 N ATOM 127 CA ALA A 10 -6.189 10.225 -8.250 1.00 0.00 C ATOM 128 C ALA A 10 -5.630 11.521 -8.899 1.00 0.00 C ATOM 129 O ALA A 10 -4.707 12.150 -8.368 1.00 0.00 O ATOM 130 CB ALA A 10 -5.742 8.963 -9.016 1.00 0.00 C ATOM 0 H ALA A 10 -8.119 9.474 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.789 10.178 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.653 8.927 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.117 8.076 -8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.139 8.993 -10.031 1.00 0.00 H new ATOM 136 N ARG A 11 -6.186 11.886 -10.070 1.00 0.00 N ATOM 137 CA ARG A 11 -5.701 13.028 -10.889 1.00 0.00 C ATOM 138 C ARG A 11 -5.981 14.339 -10.105 1.00 0.00 C ATOM 139 O ARG A 11 -5.187 15.286 -10.160 1.00 0.00 O ATOM 140 CB ARG A 11 -6.398 13.039 -12.280 1.00 0.00 C ATOM 141 CG ARG A 11 -7.923 12.788 -12.250 1.00 0.00 C ATOM 142 CD ARG A 11 -8.363 11.679 -13.225 1.00 0.00 C ATOM 143 NE ARG A 11 -8.300 12.130 -14.638 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.898 13.241 -15.115 1.00 0.00 C ATOM 145 NH1 ARG A 11 -10.012 13.707 -14.566 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.403 13.889 -16.160 1.00 0.00 N ATOM 0 H ARG A 11 -6.984 11.401 -10.480 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.630 12.935 -11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.213 14.003 -12.754 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.933 12.280 -12.909 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.222 12.516 -11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.444 13.712 -12.499 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.725 10.805 -13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.381 11.369 -12.987 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.767 11.560 -15.294 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.429 13.224 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.451 14.549 -14.939 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.557 13.549 -16.617 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.868 14.728 -16.507 1.00 0.00 H new ATOM 160 N ALA A 12 -7.132 14.382 -9.407 1.00 0.00 N ATOM 161 CA ALA A 12 -7.539 15.558 -8.591 1.00 0.00 C ATOM 162 C ALA A 12 -6.537 15.769 -7.423 1.00 0.00 C ATOM 163 O ALA A 12 -6.339 16.900 -6.959 1.00 0.00 O ATOM 164 CB ALA A 12 -8.979 15.355 -8.082 1.00 0.00 C ATOM 0 H ALA A 12 -7.804 13.615 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.521 16.460 -9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.278 16.216 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.654 15.251 -8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.025 14.454 -7.470 1.00 0.00 H new ATOM 170 N PHE A 13 -5.937 14.667 -6.937 1.00 0.00 N ATOM 171 CA PHE A 13 -4.985 14.699 -5.794 1.00 0.00 C ATOM 172 C PHE A 13 -3.669 15.396 -6.234 1.00 0.00 C ATOM 173 O PHE A 13 -3.283 16.429 -5.674 1.00 0.00 O ATOM 174 CB PHE A 13 -4.768 13.248 -5.275 1.00 0.00 C ATOM 175 CG PHE A 13 -3.829 13.124 -4.057 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.308 13.372 -2.765 1.00 0.00 C ATOM 177 CD2 PHE A 13 -2.484 12.779 -4.235 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.453 13.276 -1.669 1.00 0.00 C ATOM 179 CE2 PHE A 13 -1.633 12.682 -3.137 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.118 12.929 -1.856 1.00 0.00 C ATOM 0 H PHE A 13 -6.092 13.733 -7.317 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.386 15.282 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.737 12.824 -5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.365 12.644 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.344 13.639 -2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.105 12.587 -5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.826 13.471 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.596 12.415 -3.279 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.457 12.851 -1.005 1.00 0.00 H new ATOM 190 N LEU A 14 -2.983 14.798 -7.226 1.00 0.00 N ATOM 191 CA LEU A 14 -1.651 15.264 -7.695 1.00 0.00 C ATOM 192 C LEU A 14 -1.828 15.875 -9.112 1.00 0.00 C ATOM 193 O LEU A 14 -2.495 15.291 -9.973 1.00 0.00 O ATOM 194 CB LEU A 14 -0.619 14.096 -7.692 1.00 0.00 C ATOM 195 CG LEU A 14 -1.180 12.645 -7.636 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.799 12.233 -8.987 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.112 11.615 -7.212 1.00 0.00 C ATOM 0 H LEU A 14 -3.329 13.980 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.257 16.024 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.006 14.186 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.044 14.234 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.959 12.648 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.182 11.215 -8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.615 12.911 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.038 12.281 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.555 10.620 -7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.711 11.629 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.264 11.868 -6.221 1.00 0.00 H new ATOM 209 N SER A 15 -1.195 17.041 -9.341 1.00 0.00 N ATOM 210 CA SER A 15 -1.265 17.764 -10.638 1.00 0.00 C ATOM 211 C SER A 15 -0.262 17.138 -11.645 1.00 0.00 C ATOM 212 O SER A 15 0.097 15.960 -11.529 1.00 0.00 O ATOM 213 CB SER A 15 -1.001 19.269 -10.404 1.00 0.00 C ATOM 214 OG SER A 15 -1.386 19.667 -9.092 1.00 0.00 O ATOM 0 H SER A 15 -0.622 17.511 -8.640 1.00 0.00 H new ATOM 0 HA SER A 15 -2.261 17.667 -11.071 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.057 19.482 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.552 19.855 -11.140 1.00 0.00 H new ATOM 0 HG SER A 15 -1.205 20.623 -8.974 1.00 0.00 H new ATOM 220 N GLU A 16 0.154 17.935 -12.647 1.00 0.00 N ATOM 221 CA GLU A 16 1.084 17.482 -13.716 1.00 0.00 C ATOM 222 C GLU A 16 2.520 17.404 -13.128 1.00 0.00 C ATOM 223 O GLU A 16 3.295 16.509 -13.487 1.00 0.00 O ATOM 224 CB GLU A 16 0.969 18.411 -14.958 1.00 0.00 C ATOM 225 CG GLU A 16 2.068 18.261 -16.037 1.00 0.00 C ATOM 226 CD GLU A 16 3.292 19.154 -15.814 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.266 20.333 -16.232 1.00 0.00 O ATOM 228 OE2 GLU A 16 4.285 18.681 -15.217 1.00 0.00 O ATOM 0 H GLU A 16 -0.139 18.907 -12.745 1.00 0.00 H new ATOM 0 HA GLU A 16 0.820 16.484 -14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.002 18.233 -15.429 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.969 19.445 -14.612 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.392 17.221 -16.068 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.638 18.490 -17.012 1.00 0.00 H new ATOM 235 N GLU A 17 2.848 18.355 -12.227 1.00 0.00 N ATOM 236 CA GLU A 17 4.219 18.479 -11.659 1.00 0.00 C ATOM 237 C GLU A 17 4.469 17.259 -10.730 1.00 0.00 C ATOM 238 O GLU A 17 5.575 16.707 -10.699 1.00 0.00 O ATOM 239 CB GLU A 17 4.414 19.849 -10.947 1.00 0.00 C ATOM 240 CG GLU A 17 5.841 20.164 -10.439 1.00 0.00 C ATOM 241 CD GLU A 17 5.916 21.351 -9.473 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.476 21.215 -8.310 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.412 22.427 -9.875 1.00 0.00 O ATOM 0 H GLU A 17 2.188 19.049 -11.875 1.00 0.00 H new ATOM 0 HA GLU A 17 4.966 18.465 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.115 20.638 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.732 19.893 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.241 19.280 -9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.483 20.366 -11.296 1.00 0.00 H new ATOM 250 N MET A 18 3.419 16.835 -10.003 1.00 0.00 N ATOM 251 CA MET A 18 3.490 15.679 -9.071 1.00 0.00 C ATOM 252 C MET A 18 3.568 14.384 -9.926 1.00 0.00 C ATOM 253 O MET A 18 4.276 13.435 -9.567 1.00 0.00 O ATOM 254 CB MET A 18 2.286 15.663 -8.088 1.00 0.00 C ATOM 255 CG MET A 18 2.233 16.822 -7.074 1.00 0.00 C ATOM 256 SD MET A 18 1.468 16.264 -5.535 1.00 0.00 S ATOM 257 CE MET A 18 1.200 17.833 -4.684 1.00 0.00 C ATOM 0 H MET A 18 2.500 17.276 -10.040 1.00 0.00 H new ATOM 0 HA MET A 18 4.378 15.755 -8.444 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.365 15.673 -8.671 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.304 14.723 -7.536 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.240 17.189 -6.877 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.666 17.655 -7.490 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.733 17.647 -3.717 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.156 18.334 -4.535 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.549 18.467 -5.286 1.00 0.00 H new ATOM 267 N ILE A 19 2.844 14.371 -11.060 1.00 0.00 N ATOM 268 CA ILE A 19 2.765 13.193 -11.965 1.00 0.00 C ATOM 269 C ILE A 19 4.219 12.894 -12.420 1.00 0.00 C ATOM 270 O ILE A 19 4.591 11.729 -12.607 1.00 0.00 O ATOM 271 CB ILE A 19 1.736 13.416 -13.136 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.253 13.247 -12.677 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.020 12.503 -14.360 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.784 14.100 -13.426 1.00 0.00 C ATOM 0 H ILE A 19 2.297 15.170 -11.380 1.00 0.00 H new ATOM 0 HA ILE A 19 2.366 12.315 -11.457 1.00 0.00 H new ATOM 0 HB ILE A 19 1.876 14.452 -13.445 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.023 12.198 -12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.192 13.486 -11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.282 12.697 -15.138 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.018 12.712 -14.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.960 11.458 -14.056 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.777 13.901 -13.024 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.546 15.156 -13.299 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.765 13.848 -14.486 1.00 0.00 H new ATOM 286 N ALA A 20 5.021 13.956 -12.626 1.00 0.00 N ATOM 287 CA ALA A 20 6.409 13.841 -13.149 1.00 0.00 C ATOM 288 C ALA A 20 7.187 12.741 -12.376 1.00 0.00 C ATOM 289 O ALA A 20 7.950 11.970 -12.972 1.00 0.00 O ATOM 290 CB ALA A 20 7.101 15.214 -13.043 1.00 0.00 C ATOM 0 H ALA A 20 4.733 14.916 -12.438 1.00 0.00 H new ATOM 0 HA ALA A 20 6.390 13.544 -14.198 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.119 15.139 -13.424 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.547 15.947 -13.630 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.127 15.529 -12.000 1.00 0.00 H new ATOM 296 N GLU A 21 7.003 12.703 -11.044 1.00 0.00 N ATOM 297 CA GLU A 21 7.755 11.787 -10.145 1.00 0.00 C ATOM 298 C GLU A 21 7.591 10.336 -10.674 1.00 0.00 C ATOM 299 O GLU A 21 8.566 9.581 -10.777 1.00 0.00 O ATOM 300 CB GLU A 21 7.284 11.971 -8.674 1.00 0.00 C ATOM 301 CG GLU A 21 8.296 11.591 -7.568 1.00 0.00 C ATOM 302 CD GLU A 21 8.101 12.352 -6.252 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.711 13.540 -6.292 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.335 11.764 -5.173 1.00 0.00 O ATOM 0 H GLU A 21 6.335 13.299 -10.556 1.00 0.00 H new ATOM 0 HA GLU A 21 8.820 12.020 -10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.004 13.015 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.382 11.377 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.218 10.522 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.306 11.775 -7.935 1.00 0.00 H new ATOM 311 N PHE A 22 6.337 9.951 -10.976 1.00 0.00 N ATOM 312 CA PHE A 22 5.977 8.569 -11.386 1.00 0.00 C ATOM 313 C PHE A 22 6.303 8.367 -12.892 1.00 0.00 C ATOM 314 O PHE A 22 6.437 7.219 -13.343 1.00 0.00 O ATOM 315 CB PHE A 22 4.475 8.285 -11.073 1.00 0.00 C ATOM 316 CG PHE A 22 4.015 8.685 -9.656 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.535 8.030 -8.533 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.092 9.722 -9.476 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.179 8.441 -7.251 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.740 10.135 -8.193 1.00 0.00 C ATOM 321 CZ PHE A 22 3.284 9.494 -7.082 1.00 0.00 C ATOM 0 H PHE A 22 5.539 10.586 -10.944 1.00 0.00 H new ATOM 0 HA PHE A 22 6.568 7.853 -10.815 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.862 8.816 -11.801 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.286 7.221 -11.213 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.216 7.202 -8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.651 10.204 -10.336 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.597 7.943 -6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.046 10.952 -8.060 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.011 9.815 -6.088 1.00 0.00 H new ATOM 331 N LYS A 23 6.396 9.465 -13.663 1.00 0.00 N ATOM 332 CA LYS A 23 6.585 9.423 -15.139 1.00 0.00 C ATOM 333 C LYS A 23 7.950 8.743 -15.431 1.00 0.00 C ATOM 334 O LYS A 23 8.101 8.036 -16.435 1.00 0.00 O ATOM 335 CB LYS A 23 6.526 10.850 -15.761 1.00 0.00 C ATOM 336 CG LYS A 23 5.271 11.202 -16.596 1.00 0.00 C ATOM 337 CD LYS A 23 4.937 12.706 -16.670 1.00 0.00 C ATOM 338 CE LYS A 23 5.446 13.367 -17.964 1.00 0.00 C ATOM 339 NZ LYS A 23 4.842 14.696 -18.165 1.00 0.00 N ATOM 0 H LYS A 23 6.343 10.412 -13.287 1.00 0.00 H new ATOM 0 HA LYS A 23 5.778 8.851 -15.596 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.609 11.576 -14.952 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.402 10.979 -16.396 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.410 10.826 -17.610 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.414 10.675 -16.176 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.857 12.838 -16.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.376 13.214 -15.811 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.531 13.462 -17.923 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.214 12.728 -18.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.206 15.113 -19.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.808 14.602 -18.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.085 15.312 -17.363 1.00 0.00 H new ATOM 353 N ALA A 24 8.945 8.993 -14.560 1.00 0.00 N ATOM 354 CA ALA A 24 10.338 8.508 -14.759 1.00 0.00 C ATOM 355 C ALA A 24 10.409 6.976 -14.511 1.00 0.00 C ATOM 356 O ALA A 24 10.886 6.214 -15.361 1.00 0.00 O ATOM 357 CB ALA A 24 11.282 9.286 -13.821 1.00 0.00 C ATOM 0 H ALA A 24 8.816 9.531 -13.703 1.00 0.00 H new ATOM 0 HA ALA A 24 10.655 8.685 -15.787 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.305 8.936 -13.962 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.228 10.350 -14.051 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.982 9.123 -12.786 1.00 0.00 H new ATOM 363 N ALA A 25 9.955 6.545 -13.319 1.00 0.00 N ATOM 364 CA ALA A 25 10.036 5.128 -12.878 1.00 0.00 C ATOM 365 C ALA A 25 9.021 4.238 -13.651 1.00 0.00 C ATOM 366 O ALA A 25 9.169 3.007 -13.662 1.00 0.00 O ATOM 367 CB ALA A 25 9.797 5.067 -11.355 1.00 0.00 C ATOM 0 H ALA A 25 9.522 7.162 -12.632 1.00 0.00 H new ATOM 0 HA ALA A 25 11.028 4.735 -13.101 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.854 4.032 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.558 5.657 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.810 5.469 -11.125 1.00 0.00 H new ATOM 373 N PHE A 26 8.005 4.859 -14.278 1.00 0.00 N ATOM 374 CA PHE A 26 6.902 4.121 -14.955 1.00 0.00 C ATOM 375 C PHE A 26 7.524 3.258 -16.087 1.00 0.00 C ATOM 376 O PHE A 26 7.197 2.074 -16.229 1.00 0.00 O ATOM 377 CB PHE A 26 5.807 5.091 -15.492 1.00 0.00 C ATOM 378 CG PHE A 26 4.806 4.454 -16.485 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.112 4.382 -17.849 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.576 3.966 -16.032 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.193 3.844 -18.748 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.658 3.431 -16.933 1.00 0.00 C ATOM 383 CZ PHE A 26 2.969 3.366 -18.288 1.00 0.00 C ATOM 0 H PHE A 26 7.918 5.874 -14.334 1.00 0.00 H new ATOM 0 HA PHE A 26 6.396 3.472 -14.240 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.251 5.493 -14.645 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.296 5.933 -15.981 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.064 4.745 -18.206 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.337 4.004 -14.979 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.430 3.798 -19.801 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.705 3.067 -16.580 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.259 2.944 -18.984 1.00 0.00 H new ATOM 393 N ASP A 27 8.397 3.879 -16.902 1.00 0.00 N ATOM 394 CA ASP A 27 9.029 3.212 -18.072 1.00 0.00 C ATOM 395 C ASP A 27 10.004 2.115 -17.562 1.00 0.00 C ATOM 396 O ASP A 27 10.223 1.106 -18.244 1.00 0.00 O ATOM 397 CB ASP A 27 9.723 4.240 -19.012 1.00 0.00 C ATOM 398 CG ASP A 27 10.632 5.277 -18.330 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.567 4.877 -17.604 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.415 6.494 -18.526 1.00 0.00 O ATOM 0 H ASP A 27 8.687 4.849 -16.776 1.00 0.00 H new ATOM 0 HA ASP A 27 8.259 2.734 -18.678 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.318 3.690 -19.742 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.951 4.773 -19.567 1.00 0.00 H new ATOM 405 N MET A 28 10.602 2.344 -16.375 1.00 0.00 N ATOM 406 CA MET A 28 11.577 1.397 -15.766 1.00 0.00 C ATOM 407 C MET A 28 10.823 0.076 -15.452 1.00 0.00 C ATOM 408 O MET A 28 11.378 -1.019 -15.602 1.00 0.00 O ATOM 409 CB MET A 28 12.261 1.996 -14.503 1.00 0.00 C ATOM 410 CG MET A 28 13.737 1.611 -14.294 1.00 0.00 C ATOM 411 SD MET A 28 14.527 2.778 -13.163 1.00 0.00 S ATOM 412 CE MET A 28 13.143 3.227 -12.095 1.00 0.00 C ATOM 0 H MET A 28 10.430 3.177 -15.813 1.00 0.00 H new ATOM 0 HA MET A 28 12.388 1.200 -16.467 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.193 3.083 -14.557 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.696 1.684 -13.625 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.804 0.600 -13.892 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.260 1.609 -15.251 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.521 3.706 -11.192 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.485 3.917 -12.623 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.586 2.330 -11.825 1.00 0.00 H new ATOM 422 N PHE A 29 9.556 0.199 -15.013 1.00 0.00 N ATOM 423 CA PHE A 29 8.725 -0.959 -14.590 1.00 0.00 C ATOM 424 C PHE A 29 8.251 -1.716 -15.860 1.00 0.00 C ATOM 425 O PHE A 29 8.094 -2.942 -15.844 1.00 0.00 O ATOM 426 CB PHE A 29 7.531 -0.485 -13.710 1.00 0.00 C ATOM 427 CG PHE A 29 6.818 -1.593 -12.909 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.508 -2.754 -12.540 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.478 -1.445 -12.530 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.864 -3.755 -11.815 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.837 -2.447 -11.806 1.00 0.00 C ATOM 432 CZ PHE A 29 5.527 -3.605 -11.459 1.00 0.00 C ATOM 0 H PHE A 29 9.076 1.096 -14.939 1.00 0.00 H new ATOM 0 HA PHE A 29 9.312 -1.641 -13.975 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.894 0.269 -13.011 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.799 0.003 -14.353 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.544 -2.874 -12.819 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.939 -0.549 -12.801 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.402 -4.647 -11.530 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.804 -2.326 -11.514 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.024 -4.389 -10.912 1.00 0.00 H new ATOM 442 N ASP A 30 7.999 -0.960 -16.946 1.00 0.00 N ATOM 443 CA ASP A 30 7.467 -1.518 -18.218 1.00 0.00 C ATOM 444 C ASP A 30 8.490 -2.542 -18.780 1.00 0.00 C ATOM 445 O ASP A 30 8.157 -3.714 -18.995 1.00 0.00 O ATOM 446 CB ASP A 30 7.123 -0.394 -19.239 1.00 0.00 C ATOM 447 CG ASP A 30 6.049 -0.735 -20.286 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.001 -1.896 -20.748 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.257 0.161 -20.653 1.00 0.00 O ATOM 0 H ASP A 30 8.155 0.048 -16.973 1.00 0.00 H new ATOM 0 HA ASP A 30 6.527 -2.035 -18.026 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.794 0.484 -18.684 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.037 -0.116 -19.764 1.00 0.00 H new ATOM 454 N ALA A 31 9.725 -2.074 -19.036 1.00 0.00 N ATOM 455 CA ALA A 31 10.821 -2.923 -19.578 1.00 0.00 C ATOM 456 C ALA A 31 10.597 -3.207 -21.091 1.00 0.00 C ATOM 457 O ALA A 31 11.047 -4.234 -21.611 1.00 0.00 O ATOM 458 CB ALA A 31 10.896 -4.226 -18.759 1.00 0.00 C ATOM 0 H ALA A 31 9.998 -1.104 -18.877 1.00 0.00 H new ATOM 0 HA ALA A 31 11.773 -2.399 -19.490 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.696 -4.855 -19.149 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.097 -3.988 -17.714 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.948 -4.758 -18.834 1.00 0.00 H new ATOM 464 N ASP A 32 9.873 -2.297 -21.768 1.00 0.00 N ATOM 465 CA ASP A 32 9.509 -2.442 -23.202 1.00 0.00 C ATOM 466 C ASP A 32 9.250 -1.031 -23.795 1.00 0.00 C ATOM 467 O ASP A 32 10.131 -0.438 -24.429 1.00 0.00 O ATOM 468 CB ASP A 32 8.301 -3.405 -23.394 1.00 0.00 C ATOM 469 CG ASP A 32 7.504 -3.236 -24.699 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.010 -3.632 -25.772 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.373 -2.703 -24.654 1.00 0.00 O ATOM 0 H ASP A 32 9.521 -1.439 -21.343 1.00 0.00 H new ATOM 0 HA ASP A 32 10.335 -2.901 -23.745 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.668 -4.430 -23.346 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.618 -3.271 -22.555 1.00 0.00 H new ATOM 476 N GLY A 33 8.031 -0.503 -23.575 1.00 0.00 N ATOM 477 CA GLY A 33 7.627 0.836 -24.083 1.00 0.00 C ATOM 478 C GLY A 33 6.095 0.920 -24.313 1.00 0.00 C ATOM 479 O GLY A 33 5.300 0.451 -23.490 1.00 0.00 O ATOM 0 H GLY A 33 7.301 -0.981 -23.047 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.931 1.603 -23.371 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.148 1.044 -25.018 1.00 0.00 H new ATOM 483 N GLY A 34 5.692 1.554 -25.433 1.00 0.00 N ATOM 484 CA GLY A 34 4.260 1.772 -25.761 1.00 0.00 C ATOM 485 C GLY A 34 3.646 2.829 -24.810 1.00 0.00 C ATOM 486 O GLY A 34 3.789 4.040 -25.021 1.00 0.00 O ATOM 0 H GLY A 34 6.337 1.927 -26.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.163 2.103 -26.795 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.713 0.833 -25.674 1.00 0.00 H new ATOM 490 N GLY A 35 2.931 2.352 -23.771 1.00 0.00 N ATOM 491 CA GLY A 35 2.189 3.232 -22.833 1.00 0.00 C ATOM 492 C GLY A 35 1.197 2.397 -21.983 1.00 0.00 C ATOM 493 O GLY A 35 0.008 2.728 -21.893 1.00 0.00 O ATOM 0 H GLY A 35 2.849 1.358 -23.556 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.890 3.752 -22.180 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.647 3.995 -23.391 1.00 0.00 H new ATOM 497 N ASP A 36 1.714 1.331 -21.342 1.00 0.00 N ATOM 498 CA ASP A 36 0.906 0.415 -20.495 1.00 0.00 C ATOM 499 C ASP A 36 1.758 -0.842 -20.167 1.00 0.00 C ATOM 500 O ASP A 36 2.550 -1.304 -20.997 1.00 0.00 O ATOM 501 CB ASP A 36 -0.452 0.060 -21.168 1.00 0.00 C ATOM 502 CG ASP A 36 -0.406 -0.214 -22.681 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.608 -0.763 -23.167 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.380 0.127 -23.387 1.00 0.00 O ATOM 0 H ASP A 36 2.700 1.076 -21.393 1.00 0.00 H new ATOM 0 HA ASP A 36 0.647 0.912 -19.560 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.861 -0.820 -20.672 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.148 0.879 -20.989 1.00 0.00 H new ATOM 509 N ILE A 37 1.605 -1.367 -18.936 1.00 0.00 N ATOM 510 CA ILE A 37 2.372 -2.535 -18.426 1.00 0.00 C ATOM 511 C ILE A 37 1.489 -3.808 -18.528 1.00 0.00 C ATOM 512 O ILE A 37 0.530 -3.971 -17.758 1.00 0.00 O ATOM 513 CB ILE A 37 2.968 -2.326 -16.983 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.309 -0.849 -16.608 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.170 -3.271 -16.733 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.228 -0.662 -15.390 1.00 0.00 C ATOM 0 H ILE A 37 0.942 -0.994 -18.257 1.00 0.00 H new ATOM 0 HA ILE A 37 3.251 -2.657 -19.058 1.00 0.00 H new ATOM 0 HB ILE A 37 2.157 -2.594 -16.305 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.779 -0.375 -17.470 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.376 -0.317 -16.420 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.561 -3.105 -15.729 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.844 -4.307 -16.828 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.951 -3.067 -17.465 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.397 0.402 -15.222 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.758 -1.098 -14.509 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.182 -1.157 -15.574 1.00 0.00 H new ATOM 528 N SER A 38 1.832 -4.720 -19.457 1.00 0.00 N ATOM 529 CA SER A 38 1.083 -5.989 -19.663 1.00 0.00 C ATOM 530 C SER A 38 1.482 -7.019 -18.570 1.00 0.00 C ATOM 531 O SER A 38 1.979 -6.644 -17.502 1.00 0.00 O ATOM 532 CB SER A 38 1.345 -6.514 -21.093 1.00 0.00 C ATOM 533 OG SER A 38 0.215 -7.214 -21.605 1.00 0.00 O ATOM 0 H SER A 38 2.628 -4.606 -20.085 1.00 0.00 H new ATOM 0 HA SER A 38 0.011 -5.817 -19.567 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.586 -5.679 -21.750 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.212 -7.175 -21.086 1.00 0.00 H new ATOM 0 HG SER A 38 0.410 -7.532 -22.511 1.00 0.00 H new ATOM 539 N THR A 39 1.279 -8.314 -18.873 1.00 0.00 N ATOM 540 CA THR A 39 1.599 -9.434 -17.948 1.00 0.00 C ATOM 541 C THR A 39 3.118 -9.742 -18.040 1.00 0.00 C ATOM 542 O THR A 39 3.864 -9.546 -17.071 1.00 0.00 O ATOM 543 CB THR A 39 0.712 -10.691 -18.218 1.00 0.00 C ATOM 544 OG1 THR A 39 0.167 -10.649 -19.535 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.451 -10.898 -17.230 1.00 0.00 C ATOM 0 H THR A 39 0.889 -8.621 -19.764 1.00 0.00 H new ATOM 0 HA THR A 39 1.365 -9.135 -16.926 1.00 0.00 H new ATOM 0 HB THR A 39 1.395 -11.530 -18.087 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.384 -11.445 -19.687 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.005 -11.796 -17.503 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.055 -11.009 -16.220 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.117 -10.036 -17.266 1.00 0.00 H new ATOM 553 N LYS A 40 3.564 -10.232 -19.212 1.00 0.00 N ATOM 554 CA LYS A 40 4.990 -10.581 -19.456 1.00 0.00 C ATOM 555 C LYS A 40 5.880 -9.393 -19.002 1.00 0.00 C ATOM 556 O LYS A 40 6.996 -9.593 -18.508 1.00 0.00 O ATOM 557 CB LYS A 40 5.173 -10.967 -20.953 1.00 0.00 C ATOM 558 CG LYS A 40 6.535 -11.592 -21.347 1.00 0.00 C ATOM 559 CD LYS A 40 7.452 -10.826 -22.332 1.00 0.00 C ATOM 560 CE LYS A 40 8.876 -11.386 -22.535 1.00 0.00 C ATOM 561 NZ LYS A 40 9.127 -11.894 -23.896 1.00 0.00 N ATOM 0 H LYS A 40 2.957 -10.399 -20.015 1.00 0.00 H new ATOM 0 HA LYS A 40 5.298 -11.449 -18.873 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.385 -11.670 -21.222 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.022 -10.072 -21.557 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.100 -11.756 -20.430 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.335 -12.573 -21.778 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.957 -10.795 -23.303 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.538 -9.796 -21.985 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.600 -10.603 -22.310 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.045 -12.191 -21.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.101 -12.253 -23.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.460 -12.663 -24.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.997 -11.124 -24.583 1.00 0.00 H new ATOM 575 N GLU A 41 5.373 -8.160 -19.185 1.00 0.00 N ATOM 576 CA GLU A 41 6.139 -6.916 -18.908 1.00 0.00 C ATOM 577 C GLU A 41 6.332 -6.769 -17.374 1.00 0.00 C ATOM 578 O GLU A 41 7.418 -6.406 -16.906 1.00 0.00 O ATOM 579 CB GLU A 41 5.450 -5.676 -19.548 1.00 0.00 C ATOM 580 CG GLU A 41 4.445 -5.926 -20.701 1.00 0.00 C ATOM 581 CD GLU A 41 4.526 -4.906 -21.841 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.582 -4.253 -21.996 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.534 -4.756 -22.589 1.00 0.00 O ATOM 0 H GLU A 41 4.427 -7.991 -19.527 1.00 0.00 H new ATOM 0 HA GLU A 41 7.124 -6.981 -19.369 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.927 -5.138 -18.758 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.231 -5.014 -19.921 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.618 -6.922 -21.108 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.434 -5.919 -20.294 1.00 0.00 H new ATOM 590 N LEU A 42 5.255 -7.026 -16.609 1.00 0.00 N ATOM 591 CA LEU A 42 5.238 -6.827 -15.135 1.00 0.00 C ATOM 592 C LEU A 42 6.374 -7.687 -14.519 1.00 0.00 C ATOM 593 O LEU A 42 7.189 -7.195 -13.729 1.00 0.00 O ATOM 594 CB LEU A 42 3.845 -7.196 -14.541 1.00 0.00 C ATOM 595 CG LEU A 42 3.571 -6.811 -13.058 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.383 -5.292 -12.867 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.346 -7.565 -12.503 1.00 0.00 C ATOM 0 H LEU A 42 4.374 -7.376 -16.985 1.00 0.00 H new ATOM 0 HA LEU A 42 5.409 -5.778 -14.893 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.081 -6.724 -15.158 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.712 -8.273 -14.639 1.00 0.00 H new ATOM 0 HG LEU A 42 4.457 -7.108 -12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.195 -5.078 -11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.285 -4.771 -13.188 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.536 -4.952 -13.463 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.180 -7.275 -11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.466 -7.315 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.525 -8.639 -12.556 1.00 0.00 H new ATOM 609 N GLY A 43 6.396 -8.987 -14.871 1.00 0.00 N ATOM 610 CA GLY A 43 7.342 -9.971 -14.289 1.00 0.00 C ATOM 611 C GLY A 43 8.799 -9.442 -14.335 1.00 0.00 C ATOM 612 O GLY A 43 9.631 -9.826 -13.500 1.00 0.00 O ATOM 0 H GLY A 43 5.763 -9.388 -15.563 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.062 -10.183 -13.257 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.276 -10.911 -14.837 1.00 0.00 H new ATOM 616 N THR A 44 9.098 -8.579 -15.322 1.00 0.00 N ATOM 617 CA THR A 44 10.473 -8.072 -15.574 1.00 0.00 C ATOM 618 C THR A 44 11.060 -7.517 -14.247 1.00 0.00 C ATOM 619 O THR A 44 12.003 -8.086 -13.685 1.00 0.00 O ATOM 620 CB THR A 44 10.507 -7.023 -16.730 1.00 0.00 C ATOM 621 OG1 THR A 44 10.272 -7.652 -17.988 1.00 0.00 O ATOM 622 CG2 THR A 44 11.811 -6.211 -16.841 1.00 0.00 C ATOM 0 H THR A 44 8.401 -8.210 -15.969 1.00 0.00 H new ATOM 0 HA THR A 44 11.101 -8.896 -15.913 1.00 0.00 H new ATOM 0 HB THR A 44 9.715 -6.320 -16.473 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.295 -6.979 -18.700 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.734 -5.511 -17.673 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.975 -5.658 -15.916 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.648 -6.888 -17.012 1.00 0.00 H new ATOM 630 N VAL A 45 10.505 -6.384 -13.779 1.00 0.00 N ATOM 631 CA VAL A 45 11.011 -5.646 -12.591 1.00 0.00 C ATOM 632 C VAL A 45 10.773 -6.534 -11.339 1.00 0.00 C ATOM 633 O VAL A 45 11.522 -6.440 -10.355 1.00 0.00 O ATOM 634 CB VAL A 45 10.375 -4.213 -12.481 1.00 0.00 C ATOM 635 CG1 VAL A 45 10.066 -3.764 -11.032 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.246 -3.120 -13.148 1.00 0.00 C ATOM 0 H VAL A 45 9.690 -5.948 -14.210 1.00 0.00 H new ATOM 0 HA VAL A 45 12.081 -5.460 -12.683 1.00 0.00 H new ATOM 0 HB VAL A 45 9.431 -4.316 -13.016 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.630 -2.765 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.362 -4.461 -10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.988 -3.749 -10.451 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.758 -2.151 -13.042 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.223 -3.089 -12.666 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.370 -3.349 -14.206 1.00 0.00 H new ATOM 646 N MET A 46 9.717 -7.366 -11.371 1.00 0.00 N ATOM 647 CA MET A 46 9.357 -8.271 -10.246 1.00 0.00 C ATOM 648 C MET A 46 10.588 -9.160 -9.917 1.00 0.00 C ATOM 649 O MET A 46 10.816 -9.512 -8.753 1.00 0.00 O ATOM 650 CB MET A 46 8.096 -9.118 -10.582 1.00 0.00 C ATOM 651 CG MET A 46 6.741 -8.469 -10.244 1.00 0.00 C ATOM 652 SD MET A 46 6.106 -9.134 -8.689 1.00 0.00 S ATOM 653 CE MET A 46 5.762 -10.844 -9.150 1.00 0.00 C ATOM 0 H MET A 46 9.087 -7.436 -12.170 1.00 0.00 H new ATOM 0 HA MET A 46 9.098 -7.682 -9.366 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.111 -9.349 -11.647 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.166 -10.066 -10.049 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.856 -7.388 -10.166 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.028 -8.657 -11.047 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.942 -11.227 -8.542 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.484 -10.888 -10.203 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.652 -11.452 -8.984 1.00 0.00 H new ATOM 663 N ARG A 47 11.352 -9.539 -10.958 1.00 0.00 N ATOM 664 CA ARG A 47 12.495 -10.483 -10.833 1.00 0.00 C ATOM 665 C ARG A 47 13.554 -9.881 -9.869 1.00 0.00 C ATOM 666 O ARG A 47 14.213 -10.614 -9.122 1.00 0.00 O ATOM 667 CB ARG A 47 13.110 -10.781 -12.229 1.00 0.00 C ATOM 668 CG ARG A 47 14.479 -10.111 -12.491 1.00 0.00 C ATOM 669 CD ARG A 47 15.143 -10.576 -13.802 1.00 0.00 C ATOM 670 NE ARG A 47 16.421 -9.867 -14.065 1.00 0.00 N ATOM 671 CZ ARG A 47 17.614 -10.198 -13.528 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.800 -11.220 -12.694 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.664 -9.465 -13.850 1.00 0.00 N ATOM 0 H ARG A 47 11.201 -9.205 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 47 12.143 -11.429 -10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.222 -11.860 -12.338 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.409 -10.454 -12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.347 -9.030 -12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.147 -10.326 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.328 -11.649 -13.753 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.458 -10.408 -14.634 1.00 0.00 H new ATOM 0 HE ARG A 47 16.395 -9.069 -14.700 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.012 -11.809 -12.425 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.731 -11.414 -12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.559 -8.675 -14.487 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.580 -9.688 -13.462 1.00 0.00 H new ATOM 687 N MET A 48 13.723 -8.545 -9.927 1.00 0.00 N ATOM 688 CA MET A 48 14.765 -7.821 -9.150 1.00 0.00 C ATOM 689 C MET A 48 14.706 -8.306 -7.674 1.00 0.00 C ATOM 690 O MET A 48 15.731 -8.319 -6.979 1.00 0.00 O ATOM 691 CB MET A 48 14.598 -6.277 -9.260 1.00 0.00 C ATOM 692 CG MET A 48 13.797 -5.610 -8.126 1.00 0.00 C ATOM 693 SD MET A 48 14.924 -4.879 -6.917 1.00 0.00 S ATOM 694 CE MET A 48 14.934 -3.152 -7.442 1.00 0.00 C ATOM 0 H MET A 48 13.148 -7.935 -10.508 1.00 0.00 H new ATOM 0 HA MET A 48 15.748 -8.046 -9.564 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.589 -5.824 -9.295 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.110 -6.049 -10.208 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.142 -4.841 -8.536 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.158 -6.347 -7.640 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.588 -2.576 -6.787 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.297 -3.086 -8.468 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.922 -2.750 -7.389 1.00 0.00 H new ATOM 704 N LEU A 49 13.500 -8.668 -7.201 1.00 0.00 N ATOM 705 CA LEU A 49 13.256 -9.056 -5.785 1.00 0.00 C ATOM 706 C LEU A 49 14.328 -10.100 -5.372 1.00 0.00 C ATOM 707 O LEU A 49 15.335 -9.762 -4.737 1.00 0.00 O ATOM 708 CB LEU A 49 11.810 -9.609 -5.604 1.00 0.00 C ATOM 709 CG LEU A 49 10.638 -8.588 -5.679 1.00 0.00 C ATOM 710 CD1 LEU A 49 9.262 -9.274 -5.808 1.00 0.00 C ATOM 711 CD2 LEU A 49 10.640 -7.644 -4.459 1.00 0.00 C ATOM 0 H LEU A 49 12.663 -8.702 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 49 13.339 -8.183 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.643 -10.370 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.759 -10.109 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 49 10.803 -8.003 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.480 -8.516 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.240 -9.877 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.093 -9.915 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.810 -6.943 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.532 -8.229 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.579 -7.092 -4.428 1.00 0.00 H new ATOM 723 N GLY A 50 14.083 -11.382 -5.713 1.00 0.00 N ATOM 724 CA GLY A 50 14.959 -12.504 -5.293 1.00 0.00 C ATOM 725 C GLY A 50 14.656 -13.773 -6.131 1.00 0.00 C ATOM 726 O GLY A 50 15.568 -14.378 -6.711 1.00 0.00 O ATOM 0 H GLY A 50 13.285 -11.670 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.005 -12.222 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.807 -12.715 -4.235 1.00 0.00 H new ATOM 730 N GLN A 51 13.363 -14.144 -6.207 1.00 0.00 N ATOM 731 CA GLN A 51 12.897 -15.343 -6.953 1.00 0.00 C ATOM 732 C GLN A 51 12.840 -14.983 -8.463 1.00 0.00 C ATOM 733 O GLN A 51 13.406 -13.971 -8.893 1.00 0.00 O ATOM 734 CB GLN A 51 11.523 -15.826 -6.403 1.00 0.00 C ATOM 735 CG GLN A 51 10.368 -14.796 -6.449 1.00 0.00 C ATOM 736 CD GLN A 51 8.961 -15.419 -6.495 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.798 -16.635 -6.399 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.923 -14.609 -6.637 1.00 0.00 N ATOM 0 H GLN A 51 12.609 -13.626 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 51 13.589 -16.174 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.219 -16.707 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.660 -16.141 -5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.438 -14.151 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.499 -14.160 -7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.069 -13.603 -6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.978 -14.992 -6.668 1.00 0.00 H new ATOM 747 N ASN A 52 12.141 -15.821 -9.252 1.00 0.00 N ATOM 748 CA ASN A 52 11.901 -15.561 -10.696 1.00 0.00 C ATOM 749 C ASN A 52 10.434 -15.969 -11.092 1.00 0.00 C ATOM 750 O ASN A 52 10.227 -17.132 -11.457 1.00 0.00 O ATOM 751 CB ASN A 52 12.973 -16.317 -11.528 1.00 0.00 C ATOM 752 CG ASN A 52 13.443 -15.581 -12.801 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.666 -14.899 -13.468 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.711 -15.707 -13.165 1.00 0.00 N ATOM 0 H ASN A 52 11.728 -16.691 -8.917 1.00 0.00 H new ATOM 0 HA ASN A 52 11.995 -14.496 -10.909 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.839 -16.505 -10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.571 -17.289 -11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.050 -15.237 -14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.348 -16.274 -12.606 1.00 0.00 H new ATOM 761 N PRO A 53 9.400 -15.070 -11.041 1.00 0.00 N ATOM 762 CA PRO A 53 8.025 -15.377 -11.508 1.00 0.00 C ATOM 763 C PRO A 53 8.021 -16.091 -12.888 1.00 0.00 C ATOM 764 O PRO A 53 9.020 -16.070 -13.616 1.00 0.00 O ATOM 765 CB PRO A 53 7.365 -13.983 -11.523 1.00 0.00 C ATOM 766 CG PRO A 53 8.130 -13.123 -10.515 1.00 0.00 C ATOM 767 CD PRO A 53 9.546 -13.690 -10.513 1.00 0.00 C ATOM 0 HA PRO A 53 7.487 -16.083 -10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.411 -13.544 -12.520 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.311 -14.051 -11.253 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.125 -12.073 -10.807 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.680 -13.180 -9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.212 -13.095 -11.138 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.970 -13.693 -9.509 1.00 0.00 H new ATOM 775 N THR A 54 6.871 -16.694 -13.248 1.00 0.00 N ATOM 776 CA THR A 54 6.689 -17.418 -14.534 1.00 0.00 C ATOM 777 C THR A 54 5.491 -16.786 -15.294 1.00 0.00 C ATOM 778 O THR A 54 4.688 -16.052 -14.706 1.00 0.00 O ATOM 779 CB THR A 54 6.526 -18.957 -14.324 1.00 0.00 C ATOM 780 OG1 THR A 54 7.111 -19.677 -15.406 1.00 0.00 O ATOM 781 CG2 THR A 54 5.076 -19.446 -14.156 1.00 0.00 C ATOM 0 H THR A 54 6.038 -16.696 -12.659 1.00 0.00 H new ATOM 0 HA THR A 54 7.587 -17.309 -15.142 1.00 0.00 H new ATOM 0 HB THR A 54 7.039 -19.152 -13.382 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.001 -20.639 -15.256 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.070 -20.527 -14.016 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.628 -18.965 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.501 -19.192 -15.047 1.00 0.00 H new ATOM 789 N LYS A 55 5.407 -17.059 -16.610 1.00 0.00 N ATOM 790 CA LYS A 55 4.387 -16.447 -17.504 1.00 0.00 C ATOM 791 C LYS A 55 3.000 -17.038 -17.130 1.00 0.00 C ATOM 792 O LYS A 55 1.983 -16.334 -17.173 1.00 0.00 O ATOM 793 CB LYS A 55 4.763 -16.690 -18.997 1.00 0.00 C ATOM 794 CG LYS A 55 3.932 -17.737 -19.779 1.00 0.00 C ATOM 795 CD LYS A 55 2.452 -17.359 -20.017 1.00 0.00 C ATOM 796 CE LYS A 55 1.440 -18.468 -19.667 1.00 0.00 C ATOM 797 NZ LYS A 55 1.109 -19.339 -20.811 1.00 0.00 N ATOM 0 H LYS A 55 6.036 -17.704 -17.087 1.00 0.00 H new ATOM 0 HA LYS A 55 4.348 -15.366 -17.371 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.687 -15.738 -19.523 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.809 -16.993 -19.036 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.407 -17.906 -20.745 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.966 -18.682 -19.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.218 -16.473 -19.427 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.325 -17.087 -21.065 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.845 -19.078 -18.860 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.525 -18.010 -19.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.425 -20.062 -20.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.695 -18.767 -21.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.974 -19.802 -21.156 1.00 0.00 H new ATOM 811 N GLU A 56 2.977 -18.333 -16.766 1.00 0.00 N ATOM 812 CA GLU A 56 1.719 -19.075 -16.484 1.00 0.00 C ATOM 813 C GLU A 56 1.060 -18.459 -15.219 1.00 0.00 C ATOM 814 O GLU A 56 -0.047 -17.910 -15.279 1.00 0.00 O ATOM 815 CB GLU A 56 2.007 -20.599 -16.356 1.00 0.00 C ATOM 816 CG GLU A 56 1.846 -21.443 -17.642 1.00 0.00 C ATOM 817 CD GLU A 56 1.455 -22.903 -17.389 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.249 -23.184 -17.211 1.00 0.00 O ATOM 819 OE2 GLU A 56 2.352 -23.774 -17.363 1.00 0.00 O ATOM 0 H GLU A 56 3.819 -18.898 -16.658 1.00 0.00 H new ATOM 0 HA GLU A 56 1.012 -18.977 -17.308 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.027 -20.724 -15.992 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.344 -21.009 -15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.089 -20.980 -18.275 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.783 -21.420 -18.198 1.00 0.00 H new ATOM 826 N GLU A 57 1.762 -18.561 -14.074 1.00 0.00 N ATOM 827 CA GLU A 57 1.231 -18.122 -12.755 1.00 0.00 C ATOM 828 C GLU A 57 0.976 -16.591 -12.791 1.00 0.00 C ATOM 829 O GLU A 57 0.074 -16.086 -12.108 1.00 0.00 O ATOM 830 CB GLU A 57 2.179 -18.543 -11.594 1.00 0.00 C ATOM 831 CG GLU A 57 2.865 -17.418 -10.780 1.00 0.00 C ATOM 832 CD GLU A 57 3.339 -17.848 -9.388 1.00 0.00 C ATOM 833 OE1 GLU A 57 3.778 -19.009 -9.231 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.278 -17.026 -8.447 1.00 0.00 O ATOM 0 H GLU A 57 2.706 -18.946 -14.029 1.00 0.00 H new ATOM 0 HA GLU A 57 0.281 -18.621 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.606 -19.158 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.960 -19.178 -12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.721 -17.047 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.169 -16.586 -10.673 1.00 0.00 H new ATOM 841 N LEU A 58 1.796 -15.860 -13.568 1.00 0.00 N ATOM 842 CA LEU A 58 1.751 -14.374 -13.625 1.00 0.00 C ATOM 843 C LEU A 58 0.312 -13.926 -14.001 1.00 0.00 C ATOM 844 O LEU A 58 -0.156 -12.872 -13.554 1.00 0.00 O ATOM 845 CB LEU A 58 2.843 -13.880 -14.618 1.00 0.00 C ATOM 846 CG LEU A 58 3.842 -12.814 -14.084 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.258 -13.411 -13.966 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.884 -11.537 -14.950 1.00 0.00 C ATOM 0 H LEU A 58 2.506 -16.272 -14.173 1.00 0.00 H new ATOM 0 HA LEU A 58 1.974 -13.923 -12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.415 -14.745 -14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.344 -13.469 -15.496 1.00 0.00 H new ATOM 0 HG LEU A 58 3.480 -12.522 -13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.943 -12.651 -13.591 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.241 -14.256 -13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.593 -13.749 -14.946 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.599 -10.833 -14.525 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.188 -11.795 -15.964 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.895 -11.080 -14.973 1.00 0.00 H new ATOM 860 N ASP A 59 -0.360 -14.728 -14.847 1.00 0.00 N ATOM 861 CA ASP A 59 -1.707 -14.400 -15.385 1.00 0.00 C ATOM 862 C ASP A 59 -2.678 -14.171 -14.195 1.00 0.00 C ATOM 863 O ASP A 59 -3.514 -13.259 -14.229 1.00 0.00 O ATOM 864 CB ASP A 59 -2.214 -15.491 -16.371 1.00 0.00 C ATOM 865 CG ASP A 59 -3.663 -15.335 -16.866 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.595 -15.777 -16.158 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.870 -14.764 -17.959 1.00 0.00 O ATOM 0 H ASP A 59 0.007 -15.619 -15.180 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.653 -13.482 -15.971 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.554 -15.503 -17.239 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.120 -16.463 -15.886 1.00 0.00 H new ATOM 872 N ALA A 60 -2.573 -15.027 -13.161 1.00 0.00 N ATOM 873 CA ALA A 60 -3.419 -14.935 -11.942 1.00 0.00 C ATOM 874 C ALA A 60 -2.990 -13.707 -11.090 1.00 0.00 C ATOM 875 O ALA A 60 -3.831 -13.040 -10.477 1.00 0.00 O ATOM 876 CB ALA A 60 -3.308 -16.252 -11.149 1.00 0.00 C ATOM 0 H ALA A 60 -1.906 -15.799 -13.140 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.464 -14.791 -12.218 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.926 -16.191 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.649 -17.080 -11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.270 -16.418 -10.862 1.00 0.00 H new ATOM 882 N ILE A 61 -1.671 -13.437 -11.063 1.00 0.00 N ATOM 883 CA ILE A 61 -1.090 -12.281 -10.330 1.00 0.00 C ATOM 884 C ILE A 61 -1.893 -11.030 -10.781 1.00 0.00 C ATOM 885 O ILE A 61 -2.206 -10.155 -9.963 1.00 0.00 O ATOM 886 CB ILE A 61 0.468 -12.177 -10.535 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.275 -12.675 -9.294 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.923 -10.745 -10.926 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.163 -11.624 -8.606 1.00 0.00 C ATOM 0 H ILE A 61 -0.976 -14.007 -11.544 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.187 -12.392 -9.250 1.00 0.00 H new ATOM 0 HB ILE A 61 0.690 -12.843 -11.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.571 -13.065 -8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.905 -13.508 -9.605 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.005 -10.730 -11.055 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.442 -10.453 -11.859 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.641 -10.046 -10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.676 -12.079 -7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.899 -11.248 -9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.544 -10.798 -8.255 1.00 0.00 H new ATOM 901 N ILE A 62 -2.215 -10.960 -12.086 1.00 0.00 N ATOM 902 CA ILE A 62 -2.882 -9.784 -12.709 1.00 0.00 C ATOM 903 C ILE A 62 -4.368 -9.838 -12.259 1.00 0.00 C ATOM 904 O ILE A 62 -4.966 -8.800 -11.945 1.00 0.00 O ATOM 905 CB ILE A 62 -2.662 -9.742 -14.268 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.196 -9.368 -14.660 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.661 -8.795 -14.986 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.044 -8.415 -15.856 1.00 0.00 C ATOM 0 H ILE A 62 -2.023 -11.714 -12.745 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.447 -8.842 -12.376 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.853 -10.759 -14.610 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.714 -8.914 -13.795 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.654 -10.287 -14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.465 -8.804 -16.058 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.680 -9.134 -14.801 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.540 -7.781 -14.604 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.014 -8.225 -16.038 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.489 -8.869 -16.742 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.549 -7.474 -15.638 1.00 0.00 H new ATOM 920 N GLU A 63 -4.954 -11.051 -12.257 1.00 0.00 N ATOM 921 CA GLU A 63 -6.370 -11.266 -11.853 1.00 0.00 C ATOM 922 C GLU A 63 -6.610 -10.535 -10.503 1.00 0.00 C ATOM 923 O GLU A 63 -7.701 -10.004 -10.259 1.00 0.00 O ATOM 924 CB GLU A 63 -6.700 -12.786 -11.803 1.00 0.00 C ATOM 925 CG GLU A 63 -8.200 -13.165 -11.763 1.00 0.00 C ATOM 926 CD GLU A 63 -8.979 -12.776 -13.023 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.669 -13.305 -14.114 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.908 -11.944 -12.927 1.00 0.00 O ATOM 0 H GLU A 63 -4.470 -11.906 -12.531 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.054 -10.843 -12.589 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.251 -13.262 -12.675 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.217 -13.211 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.288 -14.241 -11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.662 -12.684 -10.901 1.00 0.00 H new ATOM 935 N GLU A 64 -5.574 -10.508 -9.645 1.00 0.00 N ATOM 936 CA GLU A 64 -5.663 -9.916 -8.284 1.00 0.00 C ATOM 937 C GLU A 64 -5.872 -8.384 -8.428 1.00 0.00 C ATOM 938 O GLU A 64 -6.826 -7.822 -7.878 1.00 0.00 O ATOM 939 CB GLU A 64 -4.408 -10.299 -7.447 1.00 0.00 C ATOM 940 CG GLU A 64 -4.630 -10.528 -5.933 1.00 0.00 C ATOM 941 CD GLU A 64 -4.509 -9.259 -5.083 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.930 -8.177 -5.547 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.989 -9.339 -3.948 1.00 0.00 O ATOM 0 H GLU A 64 -4.655 -10.891 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.516 -10.315 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.980 -11.208 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.665 -9.511 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.620 -10.959 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.906 -11.261 -5.577 1.00 0.00 H new ATOM 950 N VAL A 65 -4.980 -7.730 -9.196 1.00 0.00 N ATOM 951 CA VAL A 65 -4.996 -6.254 -9.387 1.00 0.00 C ATOM 952 C VAL A 65 -5.589 -5.973 -10.795 1.00 0.00 C ATOM 953 O VAL A 65 -4.845 -5.821 -11.773 1.00 0.00 O ATOM 954 CB VAL A 65 -3.578 -5.618 -9.158 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.421 -6.376 -9.855 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.510 -4.134 -9.592 1.00 0.00 C ATOM 0 H VAL A 65 -4.229 -8.200 -9.702 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.626 -5.773 -8.638 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.440 -5.698 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.478 -5.871 -9.646 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.377 -7.398 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.593 -6.393 -10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.507 -3.747 -9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.743 -4.054 -10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.232 -3.553 -9.018 1.00 0.00 H new ATOM 966 N ASP A 66 -6.930 -5.908 -10.883 1.00 0.00 N ATOM 967 CA ASP A 66 -7.647 -5.646 -12.161 1.00 0.00 C ATOM 968 C ASP A 66 -9.175 -5.709 -11.894 1.00 0.00 C ATOM 969 O ASP A 66 -9.841 -6.686 -12.256 1.00 0.00 O ATOM 970 CB ASP A 66 -7.192 -6.622 -13.285 1.00 0.00 C ATOM 971 CG ASP A 66 -6.391 -5.997 -14.440 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.671 -4.836 -14.812 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.476 -6.664 -14.971 1.00 0.00 O ATOM 0 H ASP A 66 -7.550 -6.033 -10.082 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.399 -4.649 -12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.586 -7.407 -12.833 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.077 -7.102 -13.702 1.00 0.00 H new ATOM 978 N GLU A 67 -9.710 -4.644 -11.265 1.00 0.00 N ATOM 979 CA GLU A 67 -11.162 -4.519 -10.965 1.00 0.00 C ATOM 980 C GLU A 67 -11.919 -4.218 -12.287 1.00 0.00 C ATOM 981 O GLU A 67 -13.088 -4.596 -12.443 1.00 0.00 O ATOM 982 CB GLU A 67 -11.401 -3.452 -9.857 1.00 0.00 C ATOM 983 CG GLU A 67 -10.610 -3.638 -8.540 1.00 0.00 C ATOM 984 CD GLU A 67 -11.374 -3.209 -7.283 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.623 -3.287 -7.277 1.00 0.00 O ATOM 986 OE2 GLU A 67 -10.728 -2.796 -6.294 1.00 0.00 O ATOM 0 H GLU A 67 -9.157 -3.847 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.555 -5.453 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.156 -2.473 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.464 -3.440 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.331 -4.687 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.684 -3.066 -8.602 1.00 0.00 H new ATOM 993 N ASP A 68 -11.252 -3.511 -13.221 1.00 0.00 N ATOM 994 CA ASP A 68 -11.858 -3.105 -14.519 1.00 0.00 C ATOM 995 C ASP A 68 -11.790 -4.307 -15.499 1.00 0.00 C ATOM 996 O ASP A 68 -12.669 -4.486 -16.351 1.00 0.00 O ATOM 997 CB ASP A 68 -11.190 -1.823 -15.101 1.00 0.00 C ATOM 998 CG ASP A 68 -9.770 -1.513 -14.595 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.790 -2.000 -15.202 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.634 -0.788 -13.585 1.00 0.00 O ATOM 0 H ASP A 68 -10.286 -3.204 -13.105 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.903 -2.838 -14.361 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.155 -1.916 -16.186 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.829 -0.970 -14.875 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.749 -5.152 -15.346 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.573 -6.366 -16.182 1.00 0.00 C ATOM 1007 C GLY A 69 -9.996 -5.987 -17.570 1.00 0.00 C ATOM 1008 O GLY A 69 -10.458 -6.487 -18.604 1.00 0.00 O ATOM 0 H GLY A 69 -10.015 -5.018 -14.651 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.904 -7.066 -15.682 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.530 -6.873 -16.305 1.00 0.00 H new ATOM 1012 N SER A 70 -8.981 -5.102 -17.571 1.00 0.00 N ATOM 1013 CA SER A 70 -8.252 -4.697 -18.802 1.00 0.00 C ATOM 1014 C SER A 70 -7.113 -5.710 -19.096 1.00 0.00 C ATOM 1015 O SER A 70 -6.848 -6.057 -20.254 1.00 0.00 O ATOM 1016 CB SER A 70 -7.726 -3.252 -18.636 1.00 0.00 C ATOM 1017 OG SER A 70 -7.308 -3.001 -17.298 1.00 0.00 O ATOM 0 H SER A 70 -8.639 -4.646 -16.725 1.00 0.00 H new ATOM 0 HA SER A 70 -8.924 -4.708 -19.660 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.891 -3.087 -19.317 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.508 -2.545 -18.913 1.00 0.00 H new ATOM 0 HG SER A 70 -8.060 -2.643 -16.782 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.439 -6.180 -18.027 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.324 -7.153 -18.146 1.00 0.00 C ATOM 1025 C GLY A 71 -3.960 -6.417 -18.081 1.00 0.00 C ATOM 1026 O GLY A 71 -2.969 -6.967 -17.583 1.00 0.00 O ATOM 0 H GLY A 71 -6.645 -5.903 -17.067 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.387 -7.889 -17.344 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.407 -7.698 -19.086 1.00 0.00 H new ATOM 1030 N THR A 72 -3.932 -5.171 -18.591 1.00 0.00 N ATOM 1031 CA THR A 72 -2.720 -4.311 -18.589 1.00 0.00 C ATOM 1032 C THR A 72 -2.760 -3.394 -17.335 1.00 0.00 C ATOM 1033 O THR A 72 -3.650 -3.526 -16.485 1.00 0.00 O ATOM 1034 CB THR A 72 -2.568 -3.508 -19.919 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.846 -3.213 -20.478 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.720 -4.195 -21.007 1.00 0.00 C ATOM 0 H THR A 72 -4.745 -4.727 -19.017 1.00 0.00 H new ATOM 0 HA THR A 72 -1.831 -4.939 -18.534 1.00 0.00 H new ATOM 0 HB THR A 72 -2.036 -2.604 -19.624 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.731 -2.708 -21.310 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.675 -3.558 -21.890 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.711 -4.364 -20.630 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.173 -5.150 -21.272 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.801 -2.454 -17.246 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.699 -1.500 -16.108 1.00 0.00 C ATOM 1046 C ILE A 73 -1.293 -0.132 -16.724 1.00 0.00 C ATOM 1047 O ILE A 73 -0.126 0.273 -16.641 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.737 -2.029 -14.980 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.322 -3.259 -14.215 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.334 -0.919 -13.971 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.875 -3.414 -12.752 1.00 0.00 C ATOM 0 H ILE A 73 -1.076 -2.328 -17.952 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.648 -1.386 -15.584 1.00 0.00 H new ATOM 0 HB ILE A 73 0.162 -2.355 -15.503 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.410 -3.193 -14.237 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.047 -4.164 -14.757 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.330 -1.338 -13.215 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.180 -0.116 -14.500 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.228 -0.523 -13.490 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.342 -4.300 -12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.209 -3.519 -12.712 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.175 -2.533 -12.185 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.269 0.574 -17.324 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.038 1.902 -17.955 1.00 0.00 C ATOM 1065 C ASP A 74 -1.471 2.877 -16.886 1.00 0.00 C ATOM 1066 O ASP A 74 -1.517 2.599 -15.680 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.329 2.445 -18.635 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.269 1.391 -19.243 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.780 0.332 -19.697 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.498 1.623 -19.274 1.00 0.00 O ATOM 0 H ASP A 74 -3.234 0.250 -17.389 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.304 1.803 -18.755 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.889 3.019 -17.897 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.036 3.138 -19.423 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.963 4.037 -17.343 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.322 5.045 -16.456 1.00 0.00 C ATOM 1077 C PHE A 75 -1.379 5.548 -15.436 1.00 0.00 C ATOM 1078 O PHE A 75 -1.138 5.567 -14.223 1.00 0.00 O ATOM 1079 CB PHE A 75 0.281 6.209 -17.296 1.00 0.00 C ATOM 1080 CG PHE A 75 1.025 7.290 -16.486 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.389 7.944 -15.424 1.00 0.00 C ATOM 1082 CD2 PHE A 75 2.346 7.626 -16.805 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.064 8.921 -14.696 1.00 0.00 C ATOM 1084 CE2 PHE A 75 3.018 8.603 -16.075 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.374 9.255 -15.026 1.00 0.00 C ATOM 0 H PHE A 75 -0.981 4.307 -18.326 1.00 0.00 H new ATOM 0 HA PHE A 75 0.506 4.594 -15.909 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.971 5.788 -18.028 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.524 6.687 -17.855 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.629 7.690 -15.168 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.846 7.125 -17.621 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.570 9.420 -13.875 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.039 8.855 -16.322 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.892 10.021 -14.468 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.544 5.983 -15.954 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.629 6.581 -15.132 1.00 0.00 C ATOM 1097 C GLU A 76 -4.060 5.571 -14.033 1.00 0.00 C ATOM 1098 O GLU A 76 -4.484 5.969 -12.942 1.00 0.00 O ATOM 1099 CB GLU A 76 -4.821 7.040 -16.022 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.960 6.022 -16.280 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.135 6.583 -17.087 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.106 6.502 -18.335 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -8.095 7.104 -16.476 1.00 0.00 O ATOM 0 H GLU A 76 -2.765 5.933 -16.949 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.258 7.479 -14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.260 7.926 -15.564 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.420 7.347 -16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.550 5.161 -16.808 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.332 5.660 -15.322 1.00 0.00 H new ATOM 1110 N GLU A 77 -3.972 4.266 -14.353 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.394 3.166 -13.445 1.00 0.00 C ATOM 1112 C GLU A 77 -3.386 3.038 -12.269 1.00 0.00 C ATOM 1113 O GLU A 77 -3.787 2.825 -11.118 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.549 1.819 -14.211 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.273 0.531 -13.400 1.00 0.00 C ATOM 1116 CD GLU A 77 -4.953 -0.707 -13.989 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.274 -0.706 -15.198 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.176 -1.687 -13.244 1.00 0.00 O ATOM 0 H GLU A 77 -3.607 3.938 -15.247 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.375 3.411 -13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.564 1.764 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.876 1.834 -15.068 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.197 0.361 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.616 0.674 -12.375 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.082 3.158 -12.578 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.993 3.048 -11.571 1.00 0.00 C ATOM 1127 C PHE A 78 -1.195 4.142 -10.488 1.00 0.00 C ATOM 1128 O PHE A 78 -1.005 3.890 -9.292 1.00 0.00 O ATOM 1129 CB PHE A 78 0.402 3.145 -12.264 1.00 0.00 C ATOM 1130 CG PHE A 78 1.601 2.738 -11.384 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.398 2.085 -10.162 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.909 2.973 -11.825 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.486 1.703 -9.381 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.995 2.589 -11.042 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.783 1.957 -9.820 1.00 0.00 C ATOM 0 H PHE A 78 -1.747 3.333 -13.525 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.030 2.075 -11.081 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.393 2.514 -13.153 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.551 4.170 -12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.394 1.877 -9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.077 3.454 -12.777 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.324 1.209 -8.434 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.002 2.782 -11.383 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.626 1.663 -9.212 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.552 5.362 -10.931 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.678 6.546 -10.040 1.00 0.00 C ATOM 1147 C LEU A 79 -2.823 6.280 -9.024 1.00 0.00 C ATOM 1148 O LEU A 79 -2.787 6.779 -7.891 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.937 7.840 -10.871 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.698 8.652 -11.349 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.311 9.737 -10.323 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.520 7.754 -11.648 1.00 0.00 C ATOM 0 H LEU A 79 -1.761 5.561 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.747 6.703 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.517 7.563 -11.752 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.563 8.503 -10.273 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.991 9.132 -12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.558 10.287 -10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.146 10.425 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.071 9.267 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.355 8.372 -11.977 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.803 7.212 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.263 7.042 -12.433 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.843 5.513 -9.449 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.023 5.176 -8.608 1.00 0.00 C ATOM 1166 C VAL A 80 -4.597 4.089 -7.583 1.00 0.00 C ATOM 1167 O VAL A 80 -5.154 4.018 -6.479 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.262 4.764 -9.483 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.347 3.971 -8.714 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.942 5.975 -10.164 1.00 0.00 C ATOM 0 H VAL A 80 -3.880 5.106 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.356 6.055 -8.056 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.829 4.108 -10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.166 3.726 -9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.915 3.051 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.725 4.577 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.791 5.631 -10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.289 6.673 -9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.226 6.476 -10.815 1.00 0.00 H new ATOM 1180 N MET A 81 -3.635 3.231 -7.970 1.00 0.00 N ATOM 1181 CA MET A 81 -3.128 2.126 -7.112 1.00 0.00 C ATOM 1182 C MET A 81 -2.496 2.746 -5.835 1.00 0.00 C ATOM 1183 O MET A 81 -2.659 2.212 -4.730 1.00 0.00 O ATOM 1184 CB MET A 81 -2.123 1.223 -7.883 1.00 0.00 C ATOM 1185 CG MET A 81 -2.649 -0.166 -8.292 1.00 0.00 C ATOM 1186 SD MET A 81 -4.022 0.009 -9.453 1.00 0.00 S ATOM 1187 CE MET A 81 -5.101 -1.340 -8.930 1.00 0.00 C ATOM 0 H MET A 81 -3.183 3.278 -8.883 1.00 0.00 H new ATOM 0 HA MET A 81 -3.953 1.476 -6.822 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.806 1.750 -8.783 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.236 1.087 -7.264 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.848 -0.747 -8.749 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.977 -0.714 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.345 -1.964 -9.789 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.592 -1.942 -8.177 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.018 -0.929 -8.507 1.00 0.00 H new ATOM 1197 N MET A 82 -1.749 3.851 -6.008 1.00 0.00 N ATOM 1198 CA MET A 82 -0.980 4.494 -4.909 1.00 0.00 C ATOM 1199 C MET A 82 -1.896 5.468 -4.118 1.00 0.00 C ATOM 1200 O MET A 82 -1.708 5.672 -2.912 1.00 0.00 O ATOM 1201 CB MET A 82 0.267 5.210 -5.502 1.00 0.00 C ATOM 1202 CG MET A 82 1.495 4.313 -5.751 1.00 0.00 C ATOM 1203 SD MET A 82 2.861 4.759 -4.654 1.00 0.00 S ATOM 1204 CE MET A 82 4.028 3.418 -4.959 1.00 0.00 C ATOM 0 H MET A 82 -1.657 4.327 -6.905 1.00 0.00 H new ATOM 0 HA MET A 82 -0.629 3.739 -4.205 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.018 5.675 -6.446 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.558 6.014 -4.826 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.224 3.269 -5.594 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.813 4.407 -6.789 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.919 3.565 -4.348 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.564 2.466 -4.701 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.308 3.412 -6.012 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.868 6.081 -4.818 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.755 7.130 -4.245 1.00 0.00 C ATOM 1216 C VAL A 83 -4.717 6.449 -3.234 1.00 0.00 C ATOM 1217 O VAL A 83 -5.120 7.067 -2.239 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.493 7.946 -5.367 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.995 8.159 -5.064 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.861 9.328 -5.666 1.00 0.00 C ATOM 0 H VAL A 83 -3.067 5.869 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.166 7.875 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.378 7.317 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.452 8.728 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.489 7.191 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.103 8.707 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.430 9.826 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.878 9.939 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.830 9.193 -5.994 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.104 5.191 -3.516 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.111 4.443 -2.715 1.00 0.00 C ATOM 1232 C ARG A 84 -5.617 4.371 -1.245 1.00 0.00 C ATOM 1233 O ARG A 84 -6.418 4.472 -0.306 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.333 3.021 -3.306 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.789 2.708 -3.724 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.871 1.702 -4.888 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.946 0.301 -4.403 1.00 0.00 N ATOM 1238 CZ ARG A 84 -7.848 -0.789 -5.191 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.274 -0.766 -6.447 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.304 -1.911 -4.741 1.00 0.00 N ATOM 0 H ARG A 84 -4.732 4.659 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.071 4.959 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.687 2.900 -4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.016 2.284 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.331 2.310 -2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.286 3.634 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.747 1.923 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.998 1.818 -5.530 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.081 0.152 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.684 0.086 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.192 -1.600 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.952 -1.959 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.238 -2.726 -5.351 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.300 4.165 -1.059 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.689 3.960 0.282 1.00 0.00 C ATOM 1256 C GLN A 85 -3.877 5.253 1.121 1.00 0.00 C ATOM 1257 O GLN A 85 -4.000 5.194 2.351 1.00 0.00 O ATOM 1258 CB GLN A 85 -2.194 3.558 0.134 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.921 2.133 -0.408 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.847 1.349 0.367 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.882 0.121 0.443 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.127 2.032 0.951 1.00 0.00 N ATOM 0 H GLN A 85 -3.627 4.135 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.183 3.142 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.710 4.275 -0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.716 3.652 1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.852 1.566 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.616 2.207 -1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.148 3.050 0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.855 1.540 1.469 1.00 0.00 H new ATOM 1271 N MET A 86 -3.864 6.415 0.444 1.00 0.00 N ATOM 1272 CA MET A 86 -4.017 7.748 1.082 1.00 0.00 C ATOM 1273 C MET A 86 -5.218 7.688 2.063 1.00 0.00 C ATOM 1274 O MET A 86 -5.201 8.329 3.121 1.00 0.00 O ATOM 1275 CB MET A 86 -4.185 8.861 0.001 1.00 0.00 C ATOM 1276 CG MET A 86 -5.639 9.307 -0.243 1.00 0.00 C ATOM 1277 SD MET A 86 -5.691 10.850 -1.174 1.00 0.00 S ATOM 1278 CE MET A 86 -5.225 10.288 -2.825 1.00 0.00 C ATOM 0 H MET A 86 -3.747 6.463 -0.568 1.00 0.00 H new ATOM 0 HA MET A 86 -3.120 8.004 1.646 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.598 9.730 0.299 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.767 8.501 -0.939 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.175 8.530 -0.788 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.149 9.436 0.712 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.855 10.778 -3.567 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.181 10.538 -3.013 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.357 9.208 -2.892 1.00 0.00 H new ATOM 1288 N LYS A 87 -6.268 6.941 1.676 1.00 0.00 N ATOM 1289 CA LYS A 87 -7.537 6.830 2.445 1.00 0.00 C ATOM 1290 C LYS A 87 -7.202 6.625 3.948 1.00 0.00 C ATOM 1291 O LYS A 87 -7.669 7.383 4.808 1.00 0.00 O ATOM 1292 CB LYS A 87 -8.418 5.651 1.941 1.00 0.00 C ATOM 1293 CG LYS A 87 -9.472 6.015 0.869 1.00 0.00 C ATOM 1294 CD LYS A 87 -10.696 5.076 0.812 1.00 0.00 C ATOM 1295 CE LYS A 87 -11.212 4.598 2.184 1.00 0.00 C ATOM 1296 NZ LYS A 87 -12.499 3.892 2.060 1.00 0.00 N ATOM 0 H LYS A 87 -6.267 6.391 0.817 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.104 7.750 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.764 4.880 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.932 5.214 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.821 7.031 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.989 6.017 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.506 5.590 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.438 4.203 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.476 3.937 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.328 5.454 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.818 3.584 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.207 4.531 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.382 3.062 1.445 1.00 0.00 H new