USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 506 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 15 TYR OH : rot 158:sc= -0.763 USER MOD Set 1.2: A 37 MET CE :methyl -171:sc= -1.4 (180deg=-1.69) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.0423 K(o=-5.1,f=-6) USER MOD Set 2.2: A 26 HIS : no HD1:sc= -5.66! C(o=-5.1!,f=-5.3!) USER MOD Set 2.3: A 27 ASN : amide:sc= 0.493 K(o=-5.1,f=-5.6) USER MOD Single : A 10 THR OG1 : rot -27:sc= 0.193 USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.04) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= -0.295 (180deg=-1.38) USER MOD Single : A 20 SER OG : rot -15:sc= -0.492! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 29 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.7!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 58:sc= 1.2 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.05 F(o=-2.9!,f=-1) USER MOD Single : A 40 SER OG : rot 85:sc= 0.352 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 44 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.9!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.468 F(o=-3.7!,f=-0.47) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 1.26 (180deg=1.16) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.582 K(o=-0.58,f=-4.8!) USER MOD Single : A 62 HIS :FLIP no HE2:sc= -4.46 F(o=-5!,f=-4.5) USER MOD Single : A 64 HIS : no HD1:sc= -2.97! C(o=-3!,f=-6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 10 -10.987 4.844 2.442 1.00 0.00 N ATOM 76 CA THR A 10 -10.441 4.347 3.697 1.00 0.00 C ATOM 77 C THR A 10 -9.674 3.041 3.539 1.00 0.00 C ATOM 78 O THR A 10 -8.694 2.819 4.248 1.00 0.00 O ATOM 79 CB THR A 10 -11.543 4.173 4.746 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.642 3.431 4.193 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.023 5.532 5.225 1.00 0.00 C ATOM 0 HA THR A 10 -9.732 5.103 4.034 1.00 0.00 H new ATOM 0 HB THR A 10 -11.137 3.620 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.670 3.563 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.807 5.399 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.189 6.077 5.668 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.418 6.097 4.381 1.00 0.00 H new ATOM 89 N ALA A 11 -10.106 2.177 2.623 1.00 0.00 N ATOM 90 CA ALA A 11 -9.378 0.938 2.372 1.00 0.00 C ATOM 91 C ALA A 11 -7.999 1.263 1.841 1.00 0.00 C ATOM 92 O ALA A 11 -6.997 0.709 2.291 1.00 0.00 O ATOM 93 CB ALA A 11 -10.115 0.048 1.388 1.00 0.00 C ATOM 0 H ALA A 11 -10.941 2.309 2.052 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.295 0.394 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.543 -0.866 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.096 -0.205 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.236 0.574 0.441 1.00 0.00 H new ATOM 99 N LYS A 12 -7.962 2.184 0.890 1.00 0.00 N ATOM 100 CA LYS A 12 -6.710 2.646 0.335 1.00 0.00 C ATOM 101 C LYS A 12 -5.899 3.360 1.396 1.00 0.00 C ATOM 102 O LYS A 12 -4.768 3.003 1.651 1.00 0.00 O ATOM 103 CB LYS A 12 -6.948 3.578 -0.850 1.00 0.00 C ATOM 104 CG LYS A 12 -5.674 4.222 -1.352 1.00 0.00 C ATOM 105 CD LYS A 12 -5.881 4.935 -2.668 1.00 0.00 C ATOM 106 CE LYS A 12 -4.667 5.775 -3.022 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.630 7.035 -2.233 1.00 0.00 N ATOM 0 H LYS A 12 -8.790 2.624 0.489 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.155 1.776 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.410 3.016 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.653 4.356 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.309 4.931 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.904 3.459 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.067 4.206 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.764 5.571 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.759 5.201 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.683 6.011 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.763 7.562 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.460 7.616 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.641 6.809 -1.218 1.00 0.00 H new ATOM 121 N ASP A 13 -6.504 4.362 2.010 1.00 0.00 N ATOM 122 CA ASP A 13 -5.870 5.156 3.069 1.00 0.00 C ATOM 123 C ASP A 13 -5.260 4.271 4.159 1.00 0.00 C ATOM 124 O ASP A 13 -4.145 4.523 4.624 1.00 0.00 O ATOM 125 CB ASP A 13 -6.924 6.094 3.681 1.00 0.00 C ATOM 126 CG ASP A 13 -6.373 6.961 4.793 1.00 0.00 C ATOM 127 OD1 ASP A 13 -5.628 7.919 4.489 1.00 0.00 O ATOM 128 OD2 ASP A 13 -6.693 6.702 5.969 1.00 0.00 O ATOM 0 H ASP A 13 -7.456 4.656 1.792 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.056 5.733 2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.331 6.733 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.751 5.498 4.068 1.00 0.00 H new ATOM 133 N LYS A 14 -5.977 3.229 4.558 1.00 0.00 N ATOM 134 CA LYS A 14 -5.478 2.324 5.553 1.00 0.00 C ATOM 135 C LYS A 14 -4.366 1.475 4.957 1.00 0.00 C ATOM 136 O LYS A 14 -3.349 1.256 5.601 1.00 0.00 O ATOM 137 CB LYS A 14 -6.617 1.467 6.091 1.00 0.00 C ATOM 138 CG LYS A 14 -6.232 0.669 7.312 1.00 0.00 C ATOM 139 CD LYS A 14 -7.449 0.031 7.968 1.00 0.00 C ATOM 140 CE LYS A 14 -7.178 -0.357 9.418 1.00 0.00 C ATOM 141 NZ LYS A 14 -6.484 -1.667 9.546 1.00 0.00 N ATOM 0 H LYS A 14 -6.904 3.000 4.201 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.062 2.884 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.463 2.110 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.951 0.785 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.520 -0.107 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.729 1.318 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.288 0.726 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.742 -0.855 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.572 0.417 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.122 -0.397 9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.932 -1.683 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.188 -2.432 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.847 -1.803 8.736 1.00 0.00 H new ATOM 155 N TYR A 15 -4.549 1.030 3.708 1.00 0.00 N ATOM 156 CA TYR A 15 -3.476 0.362 2.962 1.00 0.00 C ATOM 157 C TYR A 15 -2.244 1.242 2.927 1.00 0.00 C ATOM 158 O TYR A 15 -1.115 0.771 3.057 1.00 0.00 O ATOM 159 CB TYR A 15 -3.887 0.068 1.515 1.00 0.00 C ATOM 160 CG TYR A 15 -2.744 -0.476 0.677 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.468 -1.836 0.668 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.922 0.368 -0.087 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.421 -2.348 -0.073 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.872 -0.144 -0.823 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.627 -1.498 -0.813 1.00 0.00 C ATOM 166 OH TYR A 15 0.420 -2.005 -1.541 1.00 0.00 O ATOM 0 H TYR A 15 -5.426 1.120 3.195 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.269 -0.578 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.706 -0.651 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.264 0.982 1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.083 -2.506 1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.113 1.431 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.225 -3.410 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.245 0.516 -1.404 1.00 0.00 H new ATOM 0 HH TYR A 15 0.657 -1.376 -2.254 1.00 0.00 H new ATOM 176 N GLU A 16 -2.478 2.519 2.719 1.00 0.00 N ATOM 177 CA GLU A 16 -1.426 3.490 2.671 1.00 0.00 C ATOM 178 C GLU A 16 -0.668 3.506 3.994 1.00 0.00 C ATOM 179 O GLU A 16 0.546 3.726 4.018 1.00 0.00 O ATOM 180 CB GLU A 16 -2.012 4.858 2.323 1.00 0.00 C ATOM 181 CG GLU A 16 -2.685 4.899 0.966 1.00 0.00 C ATOM 182 CD GLU A 16 -2.834 6.303 0.418 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.810 6.927 0.063 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.980 6.787 0.327 1.00 0.00 O ATOM 0 H GLU A 16 -3.411 2.907 2.579 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.709 3.227 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.736 5.140 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.216 5.602 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.107 4.300 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.670 4.439 1.042 1.00 0.00 H new ATOM 191 N TRP A 17 -1.360 3.229 5.099 1.00 0.00 N ATOM 192 CA TRP A 17 -0.661 3.016 6.343 1.00 0.00 C ATOM 193 C TRP A 17 0.010 1.660 6.327 1.00 0.00 C ATOM 194 O TRP A 17 1.140 1.548 6.741 1.00 0.00 O ATOM 195 CB TRP A 17 -1.567 3.099 7.560 1.00 0.00 C ATOM 196 CG TRP A 17 -0.988 2.394 8.739 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.127 2.715 9.409 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.491 1.227 9.343 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.349 1.817 10.418 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.653 0.898 10.409 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.578 0.449 9.081 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -0.886 -0.198 11.222 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -2.824 -0.652 9.884 1.00 0.00 C ATOM 204 CH2 TRP A 17 -1.978 -0.953 10.952 1.00 0.00 C ATOM 0 H TRP A 17 -2.376 3.151 5.149 1.00 0.00 H new ATOM 0 HA TRP A 17 0.074 3.817 6.426 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.739 4.145 7.812 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.537 2.665 7.319 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.760 3.561 9.185 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.135 1.834 11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.238 0.687 8.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.223 -0.442 12.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.677 -1.283 9.682 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.198 -1.806 11.577 1.00 0.00 H new ATOM 215 N LEU A 18 -0.691 0.635 5.862 1.00 0.00 N ATOM 216 CA LEU A 18 -0.124 -0.711 5.810 1.00 0.00 C ATOM 217 C LEU A 18 1.264 -0.670 5.177 1.00 0.00 C ATOM 218 O LEU A 18 2.248 -1.160 5.739 1.00 0.00 O ATOM 219 CB LEU A 18 -1.015 -1.663 4.982 1.00 0.00 C ATOM 220 CG LEU A 18 -2.140 -2.394 5.721 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.570 -3.479 6.604 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.953 -1.439 6.563 1.00 0.00 C ATOM 0 H LEU A 18 -1.648 0.706 5.517 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.062 -1.082 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.462 -1.087 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.371 -2.413 4.522 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.793 -2.839 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.381 -3.990 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.022 -4.196 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.894 -3.035 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.743 -1.988 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.306 -0.963 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.397 -0.677 5.923 1.00 0.00 H new ATOM 234 N VAL A 19 1.324 -0.041 4.017 1.00 0.00 N ATOM 235 CA VAL A 19 2.562 0.089 3.274 1.00 0.00 C ATOM 236 C VAL A 19 3.565 0.943 4.041 1.00 0.00 C ATOM 237 O VAL A 19 4.766 0.690 4.004 1.00 0.00 O ATOM 238 CB VAL A 19 2.299 0.684 1.866 1.00 0.00 C ATOM 239 CG1 VAL A 19 2.151 2.196 1.884 1.00 0.00 C ATOM 240 CG2 VAL A 19 3.376 0.254 0.887 1.00 0.00 C ATOM 0 H VAL A 19 0.518 0.392 3.566 1.00 0.00 H new ATOM 0 HA VAL A 19 2.988 -0.906 3.148 1.00 0.00 H new ATOM 0 HB VAL A 19 1.343 0.283 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.969 2.556 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.313 2.472 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.065 2.647 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.169 0.684 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.347 0.602 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.386 -0.833 0.811 1.00 0.00 H new ATOM 250 N SER A 20 3.064 1.946 4.746 1.00 0.00 N ATOM 251 CA SER A 20 3.914 2.803 5.557 1.00 0.00 C ATOM 252 C SER A 20 4.317 2.129 6.866 1.00 0.00 C ATOM 253 O SER A 20 5.309 2.504 7.492 1.00 0.00 O ATOM 254 CB SER A 20 3.203 4.121 5.845 1.00 0.00 C ATOM 255 OG SER A 20 2.174 3.977 6.808 1.00 0.00 O ATOM 0 H SER A 20 2.073 2.186 4.773 1.00 0.00 H new ATOM 0 HA SER A 20 4.825 2.996 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.929 4.853 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.780 4.513 4.920 1.00 0.00 H new ATOM 0 HG SER A 20 1.962 3.027 6.920 1.00 0.00 H new ATOM 261 N ARG A 21 3.545 1.137 7.276 1.00 0.00 N ATOM 262 CA ARG A 21 3.753 0.470 8.519 1.00 0.00 C ATOM 263 C ARG A 21 4.825 -0.593 8.337 1.00 0.00 C ATOM 264 O ARG A 21 5.450 -1.050 9.296 1.00 0.00 O ATOM 265 CB ARG A 21 2.417 -0.112 9.009 1.00 0.00 C ATOM 266 CG ARG A 21 2.311 -1.571 8.768 1.00 0.00 C ATOM 267 CD ARG A 21 1.004 -2.158 9.274 1.00 0.00 C ATOM 268 NE ARG A 21 1.134 -3.549 9.722 1.00 0.00 N ATOM 269 CZ ARG A 21 1.131 -4.616 8.923 1.00 0.00 C ATOM 270 NH1 ARG A 21 1.143 -4.473 7.604 1.00 0.00 N ATOM 271 NH2 ARG A 21 1.141 -5.835 9.449 1.00 0.00 N ATOM 0 H ARG A 21 2.754 0.780 6.740 1.00 0.00 H new ATOM 0 HA ARG A 21 4.105 1.163 9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.308 0.086 10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.596 0.397 8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.402 -1.766 7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.144 -2.077 9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.635 -1.550 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.258 -2.106 8.481 1.00 0.00 H new ATOM 0 HE ARG A 21 1.235 -3.712 10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.155 -3.540 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.141 -5.296 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.151 -5.953 10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.139 -6.653 8.840 1.00 0.00 H new ATOM 285 N ILE A 22 5.034 -0.962 7.080 1.00 0.00 N ATOM 286 CA ILE A 22 6.068 -1.917 6.713 1.00 0.00 C ATOM 287 C ILE A 22 7.298 -1.200 6.152 1.00 0.00 C ATOM 288 O ILE A 22 8.375 -1.223 6.749 1.00 0.00 O ATOM 289 CB ILE A 22 5.522 -2.890 5.667 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.254 -3.538 6.208 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.559 -3.939 5.323 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.487 -4.787 7.039 1.00 0.00 C ATOM 0 H ILE A 22 4.494 -0.609 6.290 1.00 0.00 H new ATOM 0 HA ILE A 22 6.364 -2.465 7.608 1.00 0.00 H new ATOM 0 HB ILE A 22 5.286 -2.347 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.719 -2.808 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.605 -3.791 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.152 -4.622 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.449 -3.453 4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.823 -4.498 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.530 -5.180 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.991 -5.539 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.107 -4.540 7.901 1.00 0.00 H new ATOM 304 N VAL A 23 7.115 -0.578 4.992 1.00 0.00 N ATOM 305 CA VAL A 23 8.152 0.216 4.346 1.00 0.00 C ATOM 306 C VAL A 23 8.463 1.460 5.159 1.00 0.00 C ATOM 307 O VAL A 23 7.577 2.264 5.458 1.00 0.00 O ATOM 308 CB VAL A 23 7.693 0.624 2.944 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.812 1.313 2.188 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.203 -0.584 2.173 1.00 0.00 C ATOM 0 H VAL A 23 6.238 -0.611 4.472 1.00 0.00 H new ATOM 0 HA VAL A 23 9.055 -0.390 4.276 1.00 0.00 H new ATOM 0 HB VAL A 23 6.868 1.328 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.461 1.593 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.120 2.207 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.660 0.635 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.881 -0.275 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.011 -1.310 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.364 -1.037 2.702 1.00 0.00 H new ATOM 320 N LYS A 24 9.729 1.615 5.496 1.00 0.00 N ATOM 321 CA LYS A 24 10.159 2.675 6.390 1.00 0.00 C ATOM 322 C LYS A 24 11.312 3.469 5.793 1.00 0.00 C ATOM 323 O LYS A 24 11.337 4.699 5.858 1.00 0.00 O ATOM 324 CB LYS A 24 10.584 2.074 7.723 1.00 0.00 C ATOM 325 CG LYS A 24 10.786 3.114 8.792 1.00 0.00 C ATOM 326 CD LYS A 24 9.508 3.428 9.546 1.00 0.00 C ATOM 327 CE LYS A 24 8.259 3.218 8.706 1.00 0.00 C ATOM 328 NZ LYS A 24 7.014 3.320 9.509 1.00 0.00 N ATOM 0 H LYS A 24 10.484 1.016 5.162 1.00 0.00 H new ATOM 0 HA LYS A 24 9.322 3.357 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.828 1.362 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.510 1.515 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.542 2.765 9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.170 4.027 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.452 2.799 10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.539 4.462 9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.234 3.958 7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.303 2.237 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.190 3.170 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.023 2.598 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.956 4.264 9.941 1.00 0.00 H new ATOM 342 N ASN A 25 12.257 2.762 5.201 1.00 0.00 N ATOM 343 CA ASN A 25 13.473 3.385 4.699 1.00 0.00 C ATOM 344 C ASN A 25 13.378 3.656 3.199 1.00 0.00 C ATOM 345 O ASN A 25 14.301 4.209 2.609 1.00 0.00 O ATOM 346 CB ASN A 25 14.665 2.488 4.990 1.00 0.00 C ATOM 347 CG ASN A 25 15.983 3.232 5.024 1.00 0.00 C ATOM 348 OD1 ASN A 25 16.622 3.444 3.993 1.00 0.00 O ATOM 349 ND2 ASN A 25 16.419 3.599 6.214 1.00 0.00 N ATOM 0 H ASN A 25 12.208 1.754 5.055 1.00 0.00 H new ATOM 0 HA ASN A 25 13.602 4.341 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.512 1.992 5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.716 1.707 4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 25 17.316 4.077 6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.859 3.405 7.044 1.00 0.00 H new ATOM 356 N HIS A 26 12.252 3.242 2.594 1.00 0.00 N ATOM 357 CA HIS A 26 12.001 3.325 1.135 1.00 0.00 C ATOM 358 C HIS A 26 13.010 2.501 0.335 1.00 0.00 C ATOM 359 O HIS A 26 12.929 2.409 -0.888 1.00 0.00 O ATOM 360 CB HIS A 26 11.927 4.783 0.609 1.00 0.00 C ATOM 361 CG HIS A 26 13.235 5.483 0.364 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.533 6.701 0.921 1.00 0.00 N ATOM 363 CD2 HIS A 26 14.321 5.131 -0.365 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.755 7.055 0.562 1.00 0.00 C ATOM 365 NE2 HIS A 26 15.252 6.125 -0.223 1.00 0.00 N ATOM 0 H HIS A 26 11.473 2.832 3.110 1.00 0.00 H new ATOM 0 HA HIS A 26 11.014 2.890 0.981 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.364 4.779 -0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.355 5.373 1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.432 4.231 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.262 7.960 0.864 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.176 6.141 -0.654 1.00 0.00 H new ATOM 374 N ASN A 27 13.942 1.891 1.035 1.00 0.00 N ATOM 375 CA ASN A 27 14.975 1.092 0.413 1.00 0.00 C ATOM 376 C ASN A 27 14.542 -0.371 0.410 1.00 0.00 C ATOM 377 O ASN A 27 15.352 -1.294 0.295 1.00 0.00 O ATOM 378 CB ASN A 27 16.301 1.313 1.150 1.00 0.00 C ATOM 379 CG ASN A 27 17.088 2.483 0.603 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.939 2.307 -0.266 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.824 3.690 1.072 1.00 0.00 N ATOM 0 H ASN A 27 14.005 1.935 2.052 1.00 0.00 H new ATOM 0 HA ASN A 27 15.127 1.391 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.100 1.479 2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.906 0.409 1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.331 4.499 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.113 3.813 1.793 1.00 0.00 H new ATOM 388 N GLU A 28 13.235 -0.551 0.555 1.00 0.00 N ATOM 389 CA GLU A 28 12.589 -1.846 0.460 1.00 0.00 C ATOM 390 C GLU A 28 12.262 -2.165 -1.000 1.00 0.00 C ATOM 391 O GLU A 28 12.423 -1.316 -1.881 1.00 0.00 O ATOM 392 CB GLU A 28 11.287 -1.838 1.273 1.00 0.00 C ATOM 393 CG GLU A 28 11.455 -1.875 2.790 1.00 0.00 C ATOM 394 CD GLU A 28 12.190 -0.680 3.375 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.607 0.424 3.429 1.00 0.00 O ATOM 396 OE2 GLU A 28 13.348 -0.850 3.808 1.00 0.00 O ATOM 0 H GLU A 28 12.587 0.214 0.745 1.00 0.00 H new ATOM 0 HA GLU A 28 13.266 -2.603 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.721 -0.944 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.686 -2.696 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.469 -1.939 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.993 -2.784 3.061 1.00 0.00 H new ATOM 403 N ASN A 29 11.794 -3.382 -1.246 1.00 0.00 N ATOM 404 CA ASN A 29 11.364 -3.794 -2.586 1.00 0.00 C ATOM 405 C ASN A 29 9.943 -4.340 -2.547 1.00 0.00 C ATOM 406 O ASN A 29 9.636 -5.198 -1.720 1.00 0.00 O ATOM 407 CB ASN A 29 12.300 -4.850 -3.178 1.00 0.00 C ATOM 408 CG ASN A 29 13.475 -4.253 -3.928 1.00 0.00 C ATOM 409 OD1 ASN A 29 13.403 -3.137 -4.444 1.00 0.00 O ATOM 410 ND2 ASN A 29 14.562 -5.005 -4.009 1.00 0.00 N ATOM 0 H ASN A 29 11.700 -4.107 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 29 11.397 -2.910 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.674 -5.485 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.733 -5.491 -3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.381 -4.665 -4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.580 -5.924 -3.567 1.00 0.00 H new ATOM 417 N TRP A 30 9.098 -3.848 -3.461 1.00 0.00 N ATOM 418 CA TRP A 30 7.650 -4.109 -3.454 1.00 0.00 C ATOM 419 C TRP A 30 7.283 -5.569 -3.212 1.00 0.00 C ATOM 420 O TRP A 30 6.476 -5.870 -2.338 1.00 0.00 O ATOM 421 CB TRP A 30 7.037 -3.644 -4.762 1.00 0.00 C ATOM 422 CG TRP A 30 5.695 -4.218 -5.004 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.360 -4.992 -6.044 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.531 -4.091 -4.188 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.036 -5.345 -5.972 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.501 -4.803 -4.833 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.255 -3.439 -2.985 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.215 -4.878 -4.313 1.00 0.00 C ATOM 429 CZ3 TRP A 30 2.982 -3.517 -2.470 1.00 0.00 C ATOM 430 CH2 TRP A 30 1.972 -4.230 -3.133 1.00 0.00 C ATOM 0 H TRP A 30 9.400 -3.253 -4.233 1.00 0.00 H new ATOM 0 HA TRP A 30 7.246 -3.546 -2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.966 -2.556 -4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.698 -3.918 -5.585 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.037 -5.296 -6.829 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.534 -5.915 -6.653 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.025 -2.885 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.436 -5.427 -4.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.756 -3.020 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.982 -4.268 -2.703 1.00 0.00 H new ATOM 441 N LEU A 31 7.860 -6.462 -3.977 1.00 0.00 N ATOM 442 CA LEU A 31 7.499 -7.858 -3.925 1.00 0.00 C ATOM 443 C LEU A 31 7.783 -8.430 -2.546 1.00 0.00 C ATOM 444 O LEU A 31 6.971 -9.151 -1.969 1.00 0.00 O ATOM 445 CB LEU A 31 8.282 -8.592 -4.986 1.00 0.00 C ATOM 446 CG LEU A 31 7.938 -8.205 -6.423 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.443 -8.306 -6.672 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.462 -6.823 -6.808 1.00 0.00 C ATOM 0 H LEU A 31 8.592 -6.243 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 31 6.432 -7.975 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.345 -8.413 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.116 -9.662 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 31 8.448 -8.922 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.226 -8.025 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.114 -9.330 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.915 -7.635 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.187 -6.604 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.026 -6.072 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.547 -6.805 -6.711 1.00 0.00 H new ATOM 460 N SER A 32 8.944 -8.088 -2.033 1.00 0.00 N ATOM 461 CA SER A 32 9.327 -8.426 -0.686 1.00 0.00 C ATOM 462 C SER A 32 8.462 -7.737 0.367 1.00 0.00 C ATOM 463 O SER A 32 8.157 -8.335 1.388 1.00 0.00 O ATOM 464 CB SER A 32 10.782 -8.054 -0.477 1.00 0.00 C ATOM 465 OG SER A 32 11.648 -9.029 -1.020 1.00 0.00 O ATOM 0 H SER A 32 9.653 -7.563 -2.546 1.00 0.00 H new ATOM 0 HA SER A 32 9.180 -9.499 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.982 -7.089 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.981 -7.942 0.589 1.00 0.00 H new ATOM 0 HG SER A 32 12.578 -8.760 -0.871 1.00 0.00 H new ATOM 471 N VAL A 33 8.069 -6.484 0.161 1.00 0.00 N ATOM 472 CA VAL A 33 7.186 -5.852 1.120 1.00 0.00 C ATOM 473 C VAL A 33 5.776 -6.413 0.986 1.00 0.00 C ATOM 474 O VAL A 33 4.978 -6.308 1.908 1.00 0.00 O ATOM 475 CB VAL A 33 7.169 -4.309 1.038 1.00 0.00 C ATOM 476 CG1 VAL A 33 8.213 -3.720 1.965 1.00 0.00 C ATOM 477 CG2 VAL A 33 7.409 -3.822 -0.353 1.00 0.00 C ATOM 0 H VAL A 33 8.340 -5.907 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 33 7.587 -6.090 2.105 1.00 0.00 H new ATOM 0 HB VAL A 33 6.176 -3.982 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.189 -2.632 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.002 -4.023 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.201 -4.080 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.389 -2.732 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.382 -4.171 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.631 -4.207 -1.013 1.00 0.00 H new ATOM 487 N SER A 34 5.488 -7.021 -0.159 1.00 0.00 N ATOM 488 CA SER A 34 4.248 -7.765 -0.344 1.00 0.00 C ATOM 489 C SER A 34 4.314 -9.065 0.441 1.00 0.00 C ATOM 490 O SER A 34 3.321 -9.498 1.013 1.00 0.00 O ATOM 491 CB SER A 34 4.010 -8.069 -1.824 1.00 0.00 C ATOM 492 OG SER A 34 3.964 -6.885 -2.592 1.00 0.00 O ATOM 0 H SER A 34 6.099 -7.013 -0.976 1.00 0.00 H new ATOM 0 HA SER A 34 3.420 -7.156 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.805 -8.716 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.074 -8.616 -1.939 1.00 0.00 H new ATOM 0 HG SER A 34 4.802 -6.390 -2.480 1.00 0.00 H new ATOM 498 N ARG A 35 5.499 -9.679 0.455 1.00 0.00 N ATOM 499 CA ARG A 35 5.782 -10.806 1.308 1.00 0.00 C ATOM 500 C ARG A 35 5.325 -10.508 2.715 1.00 0.00 C ATOM 501 O ARG A 35 4.516 -11.211 3.314 1.00 0.00 O ATOM 502 CB ARG A 35 7.275 -11.012 1.337 1.00 0.00 C ATOM 503 CG ARG A 35 7.856 -11.486 0.065 1.00 0.00 C ATOM 504 CD ARG A 35 7.267 -12.816 -0.299 1.00 0.00 C ATOM 505 NE ARG A 35 8.009 -13.510 -1.345 1.00 0.00 N ATOM 506 CZ ARG A 35 8.140 -14.836 -1.382 1.00 0.00 C ATOM 507 NH1 ARG A 35 7.616 -15.578 -0.414 1.00 0.00 N ATOM 508 NH2 ARG A 35 8.810 -15.420 -2.368 1.00 0.00 N ATOM 0 H ARG A 35 6.284 -9.398 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 35 5.267 -11.689 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.753 -10.071 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.514 -11.731 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.660 -10.763 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.939 -11.571 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.232 -13.445 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.238 -12.672 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 35 8.447 -12.956 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.115 -15.133 0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.714 -16.593 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.229 -14.853 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.905 -16.435 -2.388 1.00 0.00 H new ATOM 522 N LYS A 36 5.900 -9.440 3.210 1.00 0.00 N ATOM 523 CA LYS A 36 5.587 -8.881 4.508 1.00 0.00 C ATOM 524 C LYS A 36 4.100 -8.586 4.647 1.00 0.00 C ATOM 525 O LYS A 36 3.393 -9.166 5.473 1.00 0.00 O ATOM 526 CB LYS A 36 6.378 -7.587 4.651 1.00 0.00 C ATOM 527 CG LYS A 36 7.830 -7.767 4.301 1.00 0.00 C ATOM 528 CD LYS A 36 8.674 -6.569 4.639 1.00 0.00 C ATOM 529 CE LYS A 36 10.130 -6.794 4.260 1.00 0.00 C ATOM 530 NZ LYS A 36 10.978 -5.613 4.572 1.00 0.00 N ATOM 0 H LYS A 36 6.620 -8.919 2.709 1.00 0.00 H new ATOM 0 HA LYS A 36 5.851 -9.599 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.942 -6.824 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.295 -7.224 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.219 -8.638 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.917 -7.975 3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.291 -5.693 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.602 -6.360 5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.512 -7.665 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.197 -7.017 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.962 -5.810 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.630 -4.787 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.936 -5.415 5.592 1.00 0.00 H new ATOM 544 N MET A 37 3.654 -7.675 3.814 1.00 0.00 N ATOM 545 CA MET A 37 2.285 -7.149 3.853 1.00 0.00 C ATOM 546 C MET A 37 1.188 -8.189 3.604 1.00 0.00 C ATOM 547 O MET A 37 0.024 -7.917 3.888 1.00 0.00 O ATOM 548 CB MET A 37 2.134 -6.012 2.845 1.00 0.00 C ATOM 549 CG MET A 37 2.223 -4.637 3.480 1.00 0.00 C ATOM 550 SD MET A 37 1.729 -3.316 2.360 1.00 0.00 S ATOM 551 CE MET A 37 2.884 -3.577 1.018 1.00 0.00 C ATOM 0 H MET A 37 4.228 -7.265 3.077 1.00 0.00 H new ATOM 0 HA MET A 37 2.143 -6.797 4.875 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.908 -6.105 2.083 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.174 -6.110 2.337 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.590 -4.610 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.246 -4.461 3.813 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.819 -2.746 0.315 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.897 -3.637 1.416 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.640 -4.507 0.504 1.00 0.00 H new ATOM 561 N GLN A 38 1.523 -9.364 3.086 1.00 0.00 N ATOM 562 CA GLN A 38 0.497 -10.366 2.787 1.00 0.00 C ATOM 563 C GLN A 38 -0.158 -10.863 4.069 1.00 0.00 C ATOM 564 O GLN A 38 -1.297 -11.322 4.066 1.00 0.00 O ATOM 565 CB GLN A 38 1.077 -11.526 1.971 1.00 0.00 C ATOM 566 CG GLN A 38 1.871 -12.551 2.767 1.00 0.00 C ATOM 567 CD GLN A 38 1.011 -13.631 3.384 1.00 0.00 C ATOM 568 OE1 GLN A 38 -0.096 -13.941 2.742 1.00 0.00 O flip ATOM 569 NE2 GLN A 38 1.339 -14.175 4.438 1.00 0.00 N flip ATOM 0 H GLN A 38 2.478 -9.647 2.866 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.273 -9.892 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.258 -12.038 1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.722 -11.115 1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.610 -13.015 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.421 -12.040 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.206 -13.905 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.744 -14.896 4.846 1.00 0.00 H new ATOM 578 N ALA A 39 0.564 -10.739 5.171 1.00 0.00 N ATOM 579 CA ALA A 39 0.030 -11.094 6.478 1.00 0.00 C ATOM 580 C ALA A 39 -0.850 -9.970 7.024 1.00 0.00 C ATOM 581 O ALA A 39 -1.024 -9.830 8.234 1.00 0.00 O ATOM 582 CB ALA A 39 1.163 -11.403 7.447 1.00 0.00 C ATOM 0 H ALA A 39 1.524 -10.394 5.187 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.585 -11.987 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.748 -11.667 8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.751 -12.238 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.802 -10.526 7.551 1.00 0.00 H new ATOM 588 N SER A 40 -1.389 -9.160 6.123 1.00 0.00 N ATOM 589 CA SER A 40 -2.220 -8.041 6.492 1.00 0.00 C ATOM 590 C SER A 40 -3.435 -7.951 5.572 1.00 0.00 C ATOM 591 O SER A 40 -3.308 -7.863 4.343 1.00 0.00 O ATOM 592 CB SER A 40 -1.407 -6.762 6.402 1.00 0.00 C ATOM 593 OG SER A 40 -0.098 -6.959 6.914 1.00 0.00 O ATOM 0 H SER A 40 -1.257 -9.267 5.117 1.00 0.00 H new ATOM 0 HA SER A 40 -2.572 -8.181 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.351 -6.434 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.905 -5.969 6.960 1.00 0.00 H new ATOM 0 HG SER A 40 0.476 -7.330 6.211 1.00 0.00 H new ATOM 599 N PRO A 41 -4.628 -7.970 6.180 1.00 0.00 N ATOM 600 CA PRO A 41 -5.912 -7.935 5.475 1.00 0.00 C ATOM 601 C PRO A 41 -6.027 -6.762 4.536 1.00 0.00 C ATOM 602 O PRO A 41 -6.566 -6.887 3.442 1.00 0.00 O ATOM 603 CB PRO A 41 -6.954 -7.810 6.588 1.00 0.00 C ATOM 604 CG PRO A 41 -6.204 -7.518 7.826 1.00 0.00 C ATOM 605 CD PRO A 41 -4.810 -8.033 7.631 1.00 0.00 C ATOM 0 HA PRO A 41 -6.038 -8.822 4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.665 -7.014 6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.528 -8.731 6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.194 -6.447 8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.675 -7.998 8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.077 -7.419 8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.701 -9.050 8.006 1.00 0.00 H new ATOM 613 N GLU A 42 -5.507 -5.631 4.962 1.00 0.00 N ATOM 614 CA GLU A 42 -5.627 -4.414 4.184 1.00 0.00 C ATOM 615 C GLU A 42 -4.904 -4.514 2.851 1.00 0.00 C ATOM 616 O GLU A 42 -5.430 -4.098 1.818 1.00 0.00 O ATOM 617 CB GLU A 42 -5.122 -3.220 4.965 1.00 0.00 C ATOM 618 CG GLU A 42 -6.116 -2.673 5.961 1.00 0.00 C ATOM 619 CD GLU A 42 -6.342 -3.601 7.131 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.477 -3.636 8.027 1.00 0.00 O ATOM 621 OE2 GLU A 42 -7.388 -4.277 7.174 1.00 0.00 O ATOM 0 H GLU A 42 -4.998 -5.527 5.840 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.688 -4.275 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.212 -3.503 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.851 -2.429 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.762 -1.710 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.066 -2.492 5.458 1.00 0.00 H new ATOM 628 N TYR A 43 -3.702 -5.064 2.879 1.00 0.00 N ATOM 629 CA TYR A 43 -2.949 -5.292 1.659 1.00 0.00 C ATOM 630 C TYR A 43 -3.723 -6.233 0.742 1.00 0.00 C ATOM 631 O TYR A 43 -3.841 -5.986 -0.456 1.00 0.00 O ATOM 632 CB TYR A 43 -1.566 -5.859 1.995 1.00 0.00 C ATOM 633 CG TYR A 43 -0.953 -6.703 0.890 1.00 0.00 C ATOM 634 CD1 TYR A 43 -0.244 -6.115 -0.151 1.00 0.00 C ATOM 635 CD2 TYR A 43 -1.092 -8.090 0.884 1.00 0.00 C ATOM 636 CE1 TYR A 43 0.303 -6.881 -1.165 1.00 0.00 C ATOM 637 CE2 TYR A 43 -0.543 -8.860 -0.125 1.00 0.00 C ATOM 638 CZ TYR A 43 0.151 -8.252 -1.147 1.00 0.00 C ATOM 639 OH TYR A 43 0.685 -9.018 -2.158 1.00 0.00 O ATOM 0 H TYR A 43 -3.228 -5.360 3.732 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.808 -4.346 1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.892 -5.033 2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.644 -6.464 2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.118 -5.043 -0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.638 -8.572 1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.847 -6.407 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.658 -9.934 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 43 0.488 -9.963 -1.991 1.00 0.00 H new ATOM 649 N GLN A 44 -4.266 -7.297 1.326 1.00 0.00 N ATOM 650 CA GLN A 44 -5.084 -8.251 0.579 1.00 0.00 C ATOM 651 C GLN A 44 -6.254 -7.544 -0.077 1.00 0.00 C ATOM 652 O GLN A 44 -6.378 -7.508 -1.301 1.00 0.00 O ATOM 653 CB GLN A 44 -5.643 -9.309 1.516 1.00 0.00 C ATOM 654 CG GLN A 44 -4.592 -10.000 2.345 1.00 0.00 C ATOM 655 CD GLN A 44 -3.859 -11.092 1.587 1.00 0.00 C ATOM 656 OE1 GLN A 44 -3.712 -11.034 0.366 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.380 -12.092 2.307 1.00 0.00 N ATOM 0 H GLN A 44 -4.155 -7.522 2.315 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.451 -8.712 -0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.371 -8.844 2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.179 -10.055 0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.870 -9.262 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.061 -10.432 3.229 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.521 -12.107 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.869 -12.849 1.852 1.00 0.00 H new ATOM 666 N ASP A 45 -7.105 -6.993 0.774 1.00 0.00 N ATOM 667 CA ASP A 45 -8.318 -6.301 0.351 1.00 0.00 C ATOM 668 C ASP A 45 -8.058 -5.261 -0.735 1.00 0.00 C ATOM 669 O ASP A 45 -8.747 -5.240 -1.753 1.00 0.00 O ATOM 670 CB ASP A 45 -9.003 -5.643 1.552 1.00 0.00 C ATOM 671 CG ASP A 45 -9.796 -6.633 2.386 1.00 0.00 C ATOM 672 OD1 ASP A 45 -10.805 -7.165 1.883 1.00 0.00 O ATOM 673 OD2 ASP A 45 -9.422 -6.881 3.551 1.00 0.00 O ATOM 0 H ASP A 45 -6.975 -7.012 1.785 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.975 -7.057 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.250 -5.167 2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.669 -4.855 1.199 1.00 0.00 H new ATOM 678 N TYR A 46 -7.063 -4.416 -0.536 1.00 0.00 N ATOM 679 CA TYR A 46 -6.788 -3.340 -1.488 1.00 0.00 C ATOM 680 C TYR A 46 -6.288 -3.877 -2.813 1.00 0.00 C ATOM 681 O TYR A 46 -6.641 -3.354 -3.875 1.00 0.00 O ATOM 682 CB TYR A 46 -5.802 -2.321 -0.917 1.00 0.00 C ATOM 683 CG TYR A 46 -5.529 -1.170 -1.861 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.443 -0.135 -2.002 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.368 -1.129 -2.624 1.00 0.00 C ATOM 686 CE1 TYR A 46 -6.208 0.909 -2.873 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.127 -0.088 -3.500 1.00 0.00 C ATOM 688 CZ TYR A 46 -5.049 0.928 -3.620 1.00 0.00 C ATOM 689 OH TYR A 46 -4.814 1.967 -4.491 1.00 0.00 O ATOM 0 H TYR A 46 -6.434 -4.447 0.266 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.735 -2.831 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.195 -1.929 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.863 -2.823 -0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.353 -0.147 -1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.643 -1.924 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.929 1.708 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.221 -0.071 -4.087 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.953 1.830 -4.939 1.00 0.00 H new ATOM 699 N VAL A 47 -5.489 -4.923 -2.771 1.00 0.00 N ATOM 700 CA VAL A 47 -5.001 -5.509 -3.998 1.00 0.00 C ATOM 701 C VAL A 47 -6.112 -6.301 -4.684 1.00 0.00 C ATOM 702 O VAL A 47 -6.084 -6.538 -5.889 1.00 0.00 O ATOM 703 CB VAL A 47 -3.760 -6.404 -3.762 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.365 -7.156 -5.023 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.592 -5.571 -3.263 1.00 0.00 C ATOM 0 H VAL A 47 -5.169 -5.377 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.690 -4.693 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.024 -7.139 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.490 -7.774 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.191 -7.791 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.130 -6.443 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.728 -6.216 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.345 -4.811 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.864 -5.088 -2.324 1.00 0.00 H new ATOM 715 N TYR A 48 -7.107 -6.678 -3.907 1.00 0.00 N ATOM 716 CA TYR A 48 -8.263 -7.366 -4.419 1.00 0.00 C ATOM 717 C TYR A 48 -9.139 -6.390 -5.192 1.00 0.00 C ATOM 718 O TYR A 48 -9.555 -6.657 -6.324 1.00 0.00 O ATOM 719 CB TYR A 48 -9.007 -7.958 -3.234 1.00 0.00 C ATOM 720 CG TYR A 48 -10.459 -8.231 -3.479 1.00 0.00 C ATOM 721 CD1 TYR A 48 -10.874 -9.397 -4.090 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.406 -7.313 -3.077 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.216 -9.648 -4.298 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.752 -7.549 -3.281 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.150 -8.720 -3.889 1.00 0.00 C ATOM 726 OH TYR A 48 -14.488 -8.960 -4.094 1.00 0.00 O ATOM 0 H TYR A 48 -7.132 -6.513 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.977 -8.163 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.520 -8.889 -2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.917 -7.276 -2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.140 -10.122 -4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.092 -6.398 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.531 -10.563 -4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.486 -6.822 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.012 -8.208 -3.747 1.00 0.00 H new ATOM 736 N LEU A 49 -9.414 -5.261 -4.554 1.00 0.00 N ATOM 737 CA LEU A 49 -10.196 -4.183 -5.161 1.00 0.00 C ATOM 738 C LEU A 49 -9.496 -3.634 -6.394 1.00 0.00 C ATOM 739 O LEU A 49 -9.947 -3.818 -7.525 1.00 0.00 O ATOM 740 CB LEU A 49 -10.381 -3.022 -4.179 1.00 0.00 C ATOM 741 CG LEU A 49 -10.823 -3.390 -2.775 1.00 0.00 C ATOM 742 CD1 LEU A 49 -10.701 -2.184 -1.857 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.252 -3.912 -2.767 1.00 0.00 C ATOM 0 H LEU A 49 -9.104 -5.063 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.163 -4.606 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.438 -2.480 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.114 -2.333 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.171 -4.185 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.021 -2.458 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.663 -1.851 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.331 -1.377 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.540 -4.167 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.922 -3.143 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.319 -4.800 -3.396 1.00 0.00 H new ATOM 755 N GLU A 50 -8.383 -2.957 -6.150 1.00 0.00 N ATOM 756 CA GLU A 50 -7.678 -2.221 -7.198 1.00 0.00 C ATOM 757 C GLU A 50 -6.718 -3.104 -7.974 1.00 0.00 C ATOM 758 O GLU A 50 -6.771 -3.173 -9.203 1.00 0.00 O ATOM 759 CB GLU A 50 -6.914 -1.041 -6.599 1.00 0.00 C ATOM 760 CG GLU A 50 -7.818 0.063 -6.094 1.00 0.00 C ATOM 761 CD GLU A 50 -8.631 0.693 -7.207 1.00 0.00 C ATOM 762 OE1 GLU A 50 -8.033 1.312 -8.113 1.00 0.00 O ATOM 763 OE2 GLU A 50 -9.872 0.570 -7.188 1.00 0.00 O ATOM 0 H GLU A 50 -7.944 -2.900 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.434 -1.857 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.294 -1.398 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.240 -0.633 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.492 -0.339 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.215 0.830 -5.608 1.00 0.00 H new ATOM 770 N GLY A 51 -5.819 -3.751 -7.261 1.00 0.00 N ATOM 771 CA GLY A 51 -4.863 -4.622 -7.908 1.00 0.00 C ATOM 772 C GLY A 51 -3.468 -4.460 -7.356 1.00 0.00 C ATOM 773 O GLY A 51 -3.188 -3.510 -6.625 1.00 0.00 O ATOM 0 H GLY A 51 -5.731 -3.691 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.180 -5.658 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.853 -4.414 -8.978 1.00 0.00 H new ATOM 777 N THR A 52 -2.591 -5.387 -7.714 1.00 0.00 N ATOM 778 CA THR A 52 -1.223 -5.386 -7.230 1.00 0.00 C ATOM 779 C THR A 52 -0.432 -4.233 -7.832 1.00 0.00 C ATOM 780 O THR A 52 0.542 -3.770 -7.255 1.00 0.00 O ATOM 781 CB THR A 52 -0.530 -6.708 -7.590 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.515 -7.740 -7.754 1.00 0.00 O ATOM 783 CG2 THR A 52 0.450 -7.111 -6.503 1.00 0.00 C ATOM 0 H THR A 52 -2.809 -6.157 -8.346 1.00 0.00 H new ATOM 0 HA THR A 52 -1.255 -5.269 -6.147 1.00 0.00 H new ATOM 0 HB THR A 52 0.018 -6.571 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.071 -8.582 -7.985 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.931 -8.050 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.207 -6.335 -6.390 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.083 -7.237 -5.561 1.00 0.00 H new ATOM 791 N GLN A 53 -0.872 -3.769 -8.991 1.00 0.00 N ATOM 792 CA GLN A 53 -0.170 -2.724 -9.718 1.00 0.00 C ATOM 793 C GLN A 53 -0.305 -1.382 -9.029 1.00 0.00 C ATOM 794 O GLN A 53 0.683 -0.760 -8.683 1.00 0.00 O ATOM 795 CB GLN A 53 -0.702 -2.604 -11.136 1.00 0.00 C ATOM 796 CG GLN A 53 -0.402 -3.799 -12.011 1.00 0.00 C ATOM 797 CD GLN A 53 -1.196 -5.043 -11.652 1.00 0.00 C ATOM 798 OE1 GLN A 53 -2.420 -4.865 -11.173 1.00 0.00 O flip ATOM 799 NE2 GLN A 53 -0.713 -6.160 -11.821 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.719 -4.103 -9.451 1.00 0.00 H new ATOM 0 HA GLN A 53 0.883 -3.005 -9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.781 -2.458 -11.096 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.277 -1.713 -11.598 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.607 -3.537 -13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.662 -4.028 -11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.232 -6.256 -12.192 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.257 -6.991 -11.591 1.00 0.00 H new ATOM 808 N LYS A 54 -1.538 -0.932 -8.857 1.00 0.00 N ATOM 809 CA LYS A 54 -1.806 0.334 -8.172 1.00 0.00 C ATOM 810 C LYS A 54 -1.338 0.308 -6.731 1.00 0.00 C ATOM 811 O LYS A 54 -1.008 1.337 -6.168 1.00 0.00 O ATOM 812 CB LYS A 54 -3.264 0.644 -8.221 1.00 0.00 C ATOM 813 CG LYS A 54 -3.771 0.759 -9.615 1.00 0.00 C ATOM 814 CD LYS A 54 -5.092 1.462 -9.620 1.00 0.00 C ATOM 815 CE LYS A 54 -5.920 1.098 -10.836 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.303 1.628 -10.732 1.00 0.00 N ATOM 0 H LYS A 54 -2.373 -1.421 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.246 1.111 -8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.817 -0.137 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.453 1.577 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.055 1.307 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.875 -0.232 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.643 1.206 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.930 2.540 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.444 1.494 -11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.952 0.014 -10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.973 0.927 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.527 1.821 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.379 2.508 -11.280 1.00 0.00 H new ATOM 830 N ALA A 55 -1.340 -0.871 -6.137 1.00 0.00 N ATOM 831 CA ALA A 55 -0.790 -1.061 -4.794 1.00 0.00 C ATOM 832 C ALA A 55 0.733 -0.992 -4.835 1.00 0.00 C ATOM 833 O ALA A 55 1.367 -0.487 -3.909 1.00 0.00 O ATOM 834 CB ALA A 55 -1.254 -2.391 -4.226 1.00 0.00 C ATOM 0 H ALA A 55 -1.717 -1.719 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.151 -0.264 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.840 -2.524 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.343 -2.404 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.913 -3.201 -4.871 1.00 0.00 H new ATOM 840 N LYS A 56 1.316 -1.489 -5.923 1.00 0.00 N ATOM 841 CA LYS A 56 2.730 -1.376 -6.149 1.00 0.00 C ATOM 842 C LYS A 56 3.066 0.084 -6.389 1.00 0.00 C ATOM 843 O LYS A 56 3.934 0.653 -5.751 1.00 0.00 O ATOM 844 CB LYS A 56 3.106 -2.211 -7.367 1.00 0.00 C ATOM 845 CG LYS A 56 4.580 -2.188 -7.652 1.00 0.00 C ATOM 846 CD LYS A 56 4.987 -3.200 -8.708 1.00 0.00 C ATOM 847 CE LYS A 56 6.492 -3.197 -8.909 1.00 0.00 C ATOM 848 NZ LYS A 56 6.928 -4.249 -9.857 1.00 0.00 N ATOM 0 H LYS A 56 0.812 -1.978 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 56 3.287 -1.738 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.787 -3.241 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.566 -1.840 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.867 -1.189 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.127 -2.389 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.658 -4.195 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.490 -2.969 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.806 -2.222 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.986 -3.347 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.962 -4.212 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.652 -5.182 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.477 -4.092 -10.781 1.00 0.00 H new ATOM 862 N LYS A 57 2.353 0.670 -7.326 1.00 0.00 N ATOM 863 CA LYS A 57 2.397 2.080 -7.601 1.00 0.00 C ATOM 864 C LYS A 57 2.157 2.923 -6.343 1.00 0.00 C ATOM 865 O LYS A 57 2.793 3.959 -6.154 1.00 0.00 O ATOM 866 CB LYS A 57 1.355 2.337 -8.679 1.00 0.00 C ATOM 867 CG LYS A 57 1.977 2.715 -9.984 1.00 0.00 C ATOM 868 CD LYS A 57 2.472 1.469 -10.647 1.00 0.00 C ATOM 869 CE LYS A 57 3.252 1.770 -11.892 1.00 0.00 C ATOM 870 NZ LYS A 57 3.883 0.557 -12.475 1.00 0.00 N ATOM 0 H LYS A 57 1.710 0.160 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 57 3.387 2.378 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.746 1.443 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.686 3.133 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.249 3.220 -10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.799 3.413 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.100 0.912 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.625 0.829 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.591 2.222 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.025 2.504 -11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.410 0.818 -13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.535 0.138 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.146 -0.135 -12.719 1.00 0.00 H new ATOM 884 N LEU A 58 1.260 2.464 -5.481 1.00 0.00 N ATOM 885 CA LEU A 58 1.007 3.120 -4.202 1.00 0.00 C ATOM 886 C LEU A 58 2.257 3.014 -3.323 1.00 0.00 C ATOM 887 O LEU A 58 2.658 3.975 -2.663 1.00 0.00 O ATOM 888 CB LEU A 58 -0.209 2.469 -3.519 1.00 0.00 C ATOM 889 CG LEU A 58 -0.762 3.167 -2.281 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.504 4.670 -2.318 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.257 2.915 -2.173 1.00 0.00 C ATOM 0 H LEU A 58 0.691 1.634 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 58 0.784 4.175 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.011 2.395 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.063 1.451 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.249 2.756 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.913 5.132 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.569 4.854 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.984 5.100 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.647 3.416 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.757 3.305 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.441 1.843 -2.095 1.00 0.00 H new ATOM 903 N PHE A 59 2.856 1.825 -3.323 1.00 0.00 N ATOM 904 CA PHE A 59 4.166 1.599 -2.710 1.00 0.00 C ATOM 905 C PHE A 59 5.179 2.631 -3.211 1.00 0.00 C ATOM 906 O PHE A 59 5.840 3.290 -2.412 1.00 0.00 O ATOM 907 CB PHE A 59 4.649 0.171 -3.023 1.00 0.00 C ATOM 908 CG PHE A 59 6.097 -0.099 -2.710 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.550 -0.085 -1.404 1.00 0.00 C ATOM 910 CD2 PHE A 59 7.006 -0.374 -3.727 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.876 -0.339 -1.113 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.331 -0.629 -3.438 1.00 0.00 C ATOM 913 CZ PHE A 59 8.766 -0.611 -2.130 1.00 0.00 C ATOM 0 H PHE A 59 2.449 0.991 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 59 4.074 1.711 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.035 -0.534 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.479 -0.029 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.859 0.127 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.671 -0.388 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.216 -0.325 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.027 -0.843 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.803 -0.810 -1.902 1.00 0.00 H new ATOM 923 N LEU A 60 5.266 2.777 -4.530 1.00 0.00 N ATOM 924 CA LEU A 60 6.184 3.729 -5.166 1.00 0.00 C ATOM 925 C LEU A 60 5.981 5.143 -4.650 1.00 0.00 C ATOM 926 O LEU A 60 6.930 5.801 -4.218 1.00 0.00 O ATOM 927 CB LEU A 60 5.992 3.728 -6.683 1.00 0.00 C ATOM 928 CG LEU A 60 6.780 2.700 -7.466 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.270 2.960 -7.354 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.470 1.288 -7.014 1.00 0.00 C ATOM 0 H LEU A 60 4.704 2.241 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 60 7.195 3.407 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.933 3.577 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.253 4.717 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 60 6.479 2.796 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.814 2.208 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.497 3.950 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.571 2.909 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.056 0.581 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.722 1.180 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.409 1.085 -7.156 1.00 0.00 H new ATOM 942 N GLN A 61 4.751 5.620 -4.728 1.00 0.00 N ATOM 943 CA GLN A 61 4.406 6.931 -4.199 1.00 0.00 C ATOM 944 C GLN A 61 4.857 7.061 -2.763 1.00 0.00 C ATOM 945 O GLN A 61 5.497 8.042 -2.392 1.00 0.00 O ATOM 946 CB GLN A 61 2.897 7.160 -4.266 1.00 0.00 C ATOM 947 CG GLN A 61 2.303 6.996 -5.638 1.00 0.00 C ATOM 948 CD GLN A 61 2.651 8.118 -6.576 1.00 0.00 C ATOM 949 OE1 GLN A 61 3.697 8.754 -6.457 1.00 0.00 O ATOM 950 NE2 GLN A 61 1.775 8.369 -7.523 1.00 0.00 N ATOM 0 H GLN A 61 3.971 5.119 -5.154 1.00 0.00 H new ATOM 0 HA GLN A 61 4.914 7.678 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.406 6.464 -3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.678 8.166 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.648 6.055 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.219 6.928 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.920 7.817 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.951 9.116 -8.195 1.00 0.00 H new ATOM 959 N HIS A 62 4.537 6.064 -1.954 1.00 0.00 N ATOM 960 CA HIS A 62 4.910 6.105 -0.550 1.00 0.00 C ATOM 961 C HIS A 62 6.418 6.093 -0.394 1.00 0.00 C ATOM 962 O HIS A 62 6.941 6.696 0.534 1.00 0.00 O ATOM 963 CB HIS A 62 4.288 4.964 0.252 1.00 0.00 C ATOM 964 CG HIS A 62 4.574 5.096 1.713 1.00 0.00 C ATOM 965 ND1 HIS A 62 4.119 5.986 2.625 1.00 0.00 N flip ATOM 966 CD2 HIS A 62 5.477 4.300 2.379 1.00 0.00 C flip ATOM 967 CE1 HIS A 62 4.757 5.722 3.806 1.00 0.00 C flip ATOM 968 NE2 HIS A 62 5.567 4.698 3.631 1.00 0.00 N flip ATOM 0 H HIS A 62 4.027 5.228 -2.240 1.00 0.00 H new ATOM 0 HA HIS A 62 4.516 7.038 -0.147 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.210 4.952 0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.675 4.011 -0.110 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.428 6.718 2.462 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.026 3.478 1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.619 6.264 4.730 1.00 0.00 H new ATOM 977 N ILE A 63 7.106 5.415 -1.296 1.00 0.00 N ATOM 978 CA ILE A 63 8.554 5.468 -1.331 1.00 0.00 C ATOM 979 C ILE A 63 9.004 6.908 -1.402 1.00 0.00 C ATOM 980 O ILE A 63 9.758 7.361 -0.560 1.00 0.00 O ATOM 981 CB ILE A 63 9.121 4.670 -2.512 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.898 3.189 -2.257 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.600 4.966 -2.730 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.383 2.724 -0.904 1.00 0.00 C ATOM 0 H ILE A 63 6.685 4.823 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 63 8.936 5.011 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 63 8.601 4.968 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.834 2.971 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.407 2.616 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.967 4.383 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.732 6.028 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.160 4.699 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.190 1.657 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.454 2.909 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.856 3.270 -0.121 1.00 0.00 H new ATOM 996 N HIS A 64 8.444 7.635 -2.355 1.00 0.00 N ATOM 997 CA HIS A 64 8.735 9.054 -2.543 1.00 0.00 C ATOM 998 C HIS A 64 8.397 9.803 -1.281 1.00 0.00 C ATOM 999 O HIS A 64 9.127 10.685 -0.862 1.00 0.00 O ATOM 1000 CB HIS A 64 7.877 9.565 -3.719 1.00 0.00 C ATOM 1001 CG HIS A 64 7.689 11.039 -3.803 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.319 11.756 -2.723 1.00 0.00 N ATOM 1003 CD2 HIS A 64 7.835 11.922 -4.818 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.250 13.031 -3.031 1.00 0.00 C ATOM 1005 NE2 HIS A 64 7.555 13.164 -4.308 1.00 0.00 N ATOM 0 H HIS A 64 7.772 7.260 -3.024 1.00 0.00 H new ATOM 0 HA HIS A 64 9.791 9.208 -2.763 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.332 9.224 -4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.895 9.097 -3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.118 11.693 -5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.989 13.832 -2.356 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.579 14.041 -4.828 1.00 0.00 H new ATOM 1014 N ARG A 65 7.244 9.503 -0.741 1.00 0.00 N ATOM 1015 CA ARG A 65 6.766 10.136 0.464 1.00 0.00 C ATOM 1016 C ARG A 65 7.754 9.975 1.613 1.00 0.00 C ATOM 1017 O ARG A 65 8.121 10.935 2.285 1.00 0.00 O ATOM 1018 CB ARG A 65 5.443 9.558 0.774 1.00 0.00 C ATOM 1019 CG ARG A 65 4.498 9.915 -0.288 1.00 0.00 C ATOM 1020 CD ARG A 65 3.270 9.082 -0.254 1.00 0.00 C ATOM 1021 NE ARG A 65 2.250 9.549 0.685 1.00 0.00 N ATOM 1022 CZ ARG A 65 0.991 9.089 0.700 1.00 0.00 C ATOM 1023 NH1 ARG A 65 0.627 8.113 -0.129 1.00 0.00 N ATOM 1024 NH2 ARG A 65 0.097 9.605 1.534 1.00 0.00 N ATOM 0 H ARG A 65 6.605 8.808 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 65 6.670 11.212 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.518 8.474 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.086 9.931 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.224 10.965 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.984 9.802 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.839 9.051 -1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.546 8.060 0.006 1.00 0.00 H new ATOM 0 HE ARG A 65 2.511 10.263 1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.306 7.714 -0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.331 7.764 -0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.366 10.357 2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.859 9.250 1.540 1.00 0.00 H new ATOM 1038 N LEU A 66 8.176 8.741 1.796 1.00 0.00 N ATOM 1039 CA LEU A 66 9.306 8.389 2.663 1.00 0.00 C ATOM 1040 C LEU A 66 10.508 9.252 2.365 1.00 0.00 C ATOM 1041 O LEU A 66 11.138 9.821 3.251 1.00 0.00 O ATOM 1042 CB LEU A 66 9.670 6.937 2.401 1.00 0.00 C ATOM 1043 CG LEU A 66 8.628 5.956 2.833 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.923 4.587 2.262 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.573 5.914 4.339 1.00 0.00 C ATOM 0 H LEU A 66 7.744 7.935 1.344 1.00 0.00 H new ATOM 0 HA LEU A 66 9.019 8.545 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.855 6.807 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.603 6.709 2.916 1.00 0.00 H new ATOM 0 HG LEU A 66 7.655 6.271 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.155 3.884 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.930 4.641 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.897 4.248 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.814 5.199 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.544 5.609 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.322 6.903 4.722 1.00 0.00 H new ATOM 1057 N LYS A 67 10.815 9.302 1.095 1.00 0.00 N ATOM 1058 CA LYS A 67 11.928 10.058 0.582 1.00 0.00 C ATOM 1059 C LYS A 67 11.810 11.543 0.919 1.00 0.00 C ATOM 1060 O LYS A 67 12.730 12.147 1.467 1.00 0.00 O ATOM 1061 CB LYS A 67 11.961 9.879 -0.927 1.00 0.00 C ATOM 1062 CG LYS A 67 12.121 8.453 -1.355 1.00 0.00 C ATOM 1063 CD LYS A 67 12.620 8.307 -2.775 1.00 0.00 C ATOM 1064 CE LYS A 67 12.041 9.347 -3.707 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.257 8.997 -5.137 1.00 0.00 N ATOM 0 H LYS A 67 10.288 8.809 0.374 1.00 0.00 H new ATOM 0 HA LYS A 67 12.846 9.693 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.040 10.277 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.782 10.468 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.816 7.954 -0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.163 7.943 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.707 8.383 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.367 7.313 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.973 9.450 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.497 10.315 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.845 9.736 -5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.277 8.924 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.800 8.086 -5.344 1.00 0.00 H new