USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 762 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 21 LYS NZ :NH3+ 167:sc= 1.78 (180deg=0.685) USER MOD Set 1.2: B 102 THR OG1 : rot 87:sc= 1.67 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.697 X(o=0.97,f=0.97) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0.274 USER MOD Set 3.1: A 20 HIS : no HD1:sc= -0.0869 X(o=0.57,f=0.16) USER MOD Set 3.2: A 24 GLN : amide:sc= 0 K(o=0.57,f=-1.2) USER MOD Set 3.3: A 29 THR OG1 : rot 42:sc= 0.655 USER MOD Set 4.1: A 7 HIS : no HD1:sc= 1.02 K(o=2.3,f=-5.3!) USER MOD Set 4.2: A 12 GLN : amide:sc= 1.3 K(o=2.3,f=-5.4!) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0.501 (180deg=0.496) USER MOD Single : A 9 HIS : no HD1:sc= 0.195 K(o=0.19,f=-1.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0465 X(o=-0.047,f=-0.038) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0.753 (180deg=0.692) USER MOD Single : A 40 MET CE :methyl -122:sc= 0 (180deg=-0.146) USER MOD Single : A 42 ASN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.069) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.045) USER MOD Single : A 54 MET CE :methyl 151:sc= -0.0328 (180deg=-0.708) USER MOD Single : A 55 TYR OH : rot 112:sc= 0.805 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 14:sc= 1.29 USER MOD Single : A 65 TYR OH : rot 1:sc= 0.0551 USER MOD Single : A 66 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 1.49 K(o=1.5,f=-4.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0314) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot 79:sc= 1.2 USER MOD Single : B 104 ASN : amide:sc= 0.358 X(o=0.36,f=-0.0061) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 10.599 1.602 0.713 1.00 10.00 N ATOM 51 CA LYS A 4 10.230 2.633 -0.242 1.00 10.00 C ATOM 52 C LYS A 4 9.518 1.923 -1.391 1.00 10.00 C ATOM 53 O LYS A 4 10.009 0.893 -1.847 1.00 10.00 O ATOM 54 CB LYS A 4 11.469 3.333 -0.795 1.00 10.00 C ATOM 55 CG LYS A 4 12.381 4.000 0.240 1.00 10.00 C ATOM 56 CD LYS A 4 11.752 5.258 0.847 1.00 10.00 C ATOM 57 CE LYS A 4 12.842 6.042 1.577 1.00 10.00 C ATOM 58 NZ LYS A 4 12.356 7.326 2.108 1.00 10.00 N ATOM 0 HA LYS A 4 9.602 3.384 0.238 1.00 10.00 H new ATOM 0 HB2 LYS A 4 12.057 2.603 -1.351 1.00 10.00 H new ATOM 0 HB3 LYS A 4 11.146 4.092 -1.508 1.00 10.00 H new ATOM 0 HG2 LYS A 4 12.605 3.289 1.035 1.00 10.00 H new ATOM 0 HG3 LYS A 4 13.329 4.261 -0.230 1.00 10.00 H new ATOM 0 HD2 LYS A 4 11.303 5.871 0.066 1.00 10.00 H new ATOM 0 HD3 LYS A 4 10.954 4.987 1.538 1.00 10.00 H new ATOM 0 HE2 LYS A 4 13.232 5.438 2.397 1.00 10.00 H new ATOM 0 HE3 LYS A 4 13.671 6.226 0.894 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 13.145 7.840 2.549 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 11.962 7.896 1.332 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 11.617 7.150 2.819 1.00 10.00 H new ATOM 72 N GLY A 5 8.409 2.471 -1.896 1.00 10.00 N ATOM 73 CA GLY A 5 7.677 1.879 -3.013 1.00 10.00 C ATOM 74 C GLY A 5 8.606 1.503 -4.170 1.00 10.00 C ATOM 75 O GLY A 5 8.560 0.392 -4.696 1.00 10.00 O ATOM 0 H GLY A 5 7.997 3.334 -1.542 1.00 10.00 H new ATOM 0 HA2 GLY A 5 7.147 0.990 -2.670 1.00 10.00 H new ATOM 0 HA3 GLY A 5 6.923 2.583 -3.367 1.00 10.00 H new ATOM 79 N TRP A 6 9.494 2.431 -4.531 1.00 10.00 N ATOM 80 CA TRP A 6 10.433 2.267 -5.633 1.00 10.00 C ATOM 81 C TRP A 6 11.404 1.082 -5.446 1.00 10.00 C ATOM 82 O TRP A 6 12.026 0.650 -6.418 1.00 10.00 O ATOM 83 CB TRP A 6 11.119 3.609 -5.932 1.00 10.00 C ATOM 84 CG TRP A 6 11.944 4.223 -4.841 1.00 10.00 C ATOM 85 CD1 TRP A 6 11.508 5.083 -3.892 1.00 10.00 C ATOM 86 CD2 TRP A 6 13.373 4.071 -4.605 1.00 10.00 C ATOM 87 NE1 TRP A 6 12.564 5.457 -3.084 1.00 10.00 N ATOM 88 CE2 TRP A 6 13.727 4.824 -3.449 1.00 10.00 C ATOM 89 CE3 TRP A 6 14.410 3.378 -5.257 1.00 10.00 C ATOM 90 CZ2 TRP A 6 15.023 4.832 -2.924 1.00 10.00 C ATOM 91 CZ3 TRP A 6 15.726 3.419 -4.767 1.00 10.00 C ATOM 92 CH2 TRP A 6 16.023 4.105 -3.578 1.00 10.00 C ATOM 0 H TRP A 6 9.579 3.330 -4.056 1.00 10.00 H new ATOM 0 HA TRP A 6 9.871 1.983 -6.523 1.00 10.00 H new ATOM 0 HB2 TRP A 6 11.761 3.472 -6.802 1.00 10.00 H new ATOM 0 HB3 TRP A 6 10.348 4.326 -6.214 1.00 10.00 H new ATOM 0 HD1 TRP A 6 10.489 5.425 -3.783 1.00 10.00 H new ATOM 0 HE1 TRP A 6 12.489 6.120 -2.313 1.00 10.00 H new ATOM 0 HE3 TRP A 6 14.191 2.806 -6.147 1.00 10.00 H new ATOM 0 HZ2 TRP A 6 15.248 5.391 -2.028 1.00 10.00 H new ATOM 0 HZ3 TRP A 6 16.515 2.919 -5.309 1.00 10.00 H new ATOM 0 HH2 TRP A 6 17.022 4.071 -3.169 1.00 10.00 H new ATOM 103 N HIS A 7 11.489 0.493 -4.245 1.00 10.00 N ATOM 104 CA HIS A 7 12.213 -0.761 -4.028 1.00 10.00 C ATOM 105 C HIS A 7 11.674 -1.879 -4.923 1.00 10.00 C ATOM 106 O HIS A 7 12.431 -2.745 -5.353 1.00 10.00 O ATOM 107 CB HIS A 7 12.137 -1.178 -2.554 1.00 10.00 C ATOM 108 CG HIS A 7 13.038 -2.344 -2.242 1.00 10.00 C ATOM 109 ND1 HIS A 7 12.638 -3.680 -2.198 1.00 10.00 N ATOM 110 CD2 HIS A 7 14.387 -2.268 -2.046 1.00 10.00 C ATOM 111 CE1 HIS A 7 13.762 -4.379 -1.992 1.00 10.00 C ATOM 112 NE2 HIS A 7 14.823 -3.561 -1.884 1.00 10.00 N ATOM 0 H HIS A 7 11.059 0.873 -3.402 1.00 10.00 H new ATOM 0 HA HIS A 7 13.256 -0.591 -4.293 1.00 10.00 H new ATOM 0 HB2 HIS A 7 12.411 -0.331 -1.925 1.00 10.00 H new ATOM 0 HB3 HIS A 7 11.109 -1.440 -2.305 1.00 10.00 H new ATOM 0 HD2 HIS A 7 14.990 -1.372 -2.023 1.00 10.00 H new ATOM 0 HE1 HIS A 7 13.809 -5.456 -1.922 1.00 10.00 H new ATOM 0 HE2 HIS A 7 15.786 -3.850 -1.712 1.00 10.00 H new ATOM 120 N GLU A 8 10.379 -1.830 -5.261 1.00 10.00 N ATOM 121 CA GLU A 8 9.763 -2.681 -6.249 1.00 10.00 C ATOM 122 C GLU A 8 10.602 -2.747 -7.533 1.00 10.00 C ATOM 123 O GLU A 8 10.660 -3.788 -8.183 1.00 10.00 O ATOM 124 CB GLU A 8 8.360 -2.105 -6.472 1.00 10.00 C ATOM 125 CG GLU A 8 7.577 -2.903 -7.498 1.00 10.00 C ATOM 126 CD GLU A 8 6.173 -2.341 -7.703 1.00 10.00 C ATOM 127 OE1 GLU A 8 6.070 -1.312 -8.408 1.00 10.00 O ATOM 128 OE2 GLU A 8 5.231 -2.943 -7.144 1.00 10.00 O ATOM 0 H GLU A 8 9.725 -1.174 -4.834 1.00 10.00 H new ATOM 0 HA GLU A 8 9.697 -3.717 -5.916 1.00 10.00 H new ATOM 0 HB2 GLU A 8 7.817 -2.097 -5.527 1.00 10.00 H new ATOM 0 HB3 GLU A 8 8.441 -1.069 -6.802 1.00 10.00 H new ATOM 0 HG2 GLU A 8 8.112 -2.898 -8.447 1.00 10.00 H new ATOM 0 HG3 GLU A 8 7.509 -3.942 -7.175 1.00 10.00 H new ATOM 135 N HIS A 9 11.234 -1.629 -7.899 1.00 10.00 N ATOM 136 CA HIS A 9 12.017 -1.478 -9.109 1.00 10.00 C ATOM 137 C HIS A 9 13.513 -1.600 -8.815 1.00 10.00 C ATOM 138 O HIS A 9 14.254 -2.167 -9.617 1.00 10.00 O ATOM 139 CB HIS A 9 11.652 -0.141 -9.759 1.00 10.00 C ATOM 140 CG HIS A 9 10.201 -0.088 -10.161 1.00 10.00 C ATOM 141 ND1 HIS A 9 9.687 -0.567 -11.366 1.00 10.00 N ATOM 142 CD2 HIS A 9 9.170 0.191 -9.311 1.00 10.00 C ATOM 143 CE1 HIS A 9 8.354 -0.565 -11.214 1.00 10.00 C ATOM 144 NE2 HIS A 9 8.016 -0.129 -9.987 1.00 10.00 N ATOM 0 H HIS A 9 11.208 -0.779 -7.335 1.00 10.00 H new ATOM 0 HA HIS A 9 11.785 -2.280 -9.810 1.00 10.00 H new ATOM 0 HB2 HIS A 9 11.866 0.671 -9.064 1.00 10.00 H new ATOM 0 HB3 HIS A 9 12.278 0.018 -10.637 1.00 10.00 H new ATOM 0 HD2 HIS A 9 9.245 0.584 -8.308 1.00 10.00 H new ATOM 0 HE1 HIS A 9 7.649 -0.871 -11.973 1.00 10.00 H new ATOM 0 HE2 HIS A 9 7.067 -0.049 -9.621 1.00 10.00 H new ATOM 152 N VAL A 10 13.978 -1.039 -7.695 1.00 10.00 N ATOM 153 CA VAL A 10 15.375 -1.146 -7.278 1.00 10.00 C ATOM 154 C VAL A 10 15.559 -2.364 -6.374 1.00 10.00 C ATOM 155 O VAL A 10 15.463 -2.278 -5.150 1.00 10.00 O ATOM 156 CB VAL A 10 15.877 0.165 -6.652 1.00 10.00 C ATOM 157 CG1 VAL A 10 17.335 0.026 -6.192 1.00 10.00 C ATOM 158 CG2 VAL A 10 15.811 1.275 -7.707 1.00 10.00 C ATOM 0 H VAL A 10 13.396 -0.499 -7.054 1.00 10.00 H new ATOM 0 HA VAL A 10 16.001 -1.305 -8.156 1.00 10.00 H new ATOM 0 HB VAL A 10 15.250 0.402 -5.792 1.00 10.00 H new ATOM 0 HG11 VAL A 10 17.669 0.966 -5.752 1.00 10.00 H new ATOM 0 HG12 VAL A 10 17.408 -0.768 -5.449 1.00 10.00 H new ATOM 0 HG13 VAL A 10 17.965 -0.218 -7.047 1.00 10.00 H new ATOM 0 HG21 VAL A 10 16.165 2.210 -7.274 1.00 10.00 H new ATOM 0 HG22 VAL A 10 16.440 1.008 -8.556 1.00 10.00 H new ATOM 0 HG23 VAL A 10 14.781 1.397 -8.042 1.00 10.00 H new ATOM 168 N THR A 11 15.862 -3.504 -6.995 1.00 10.00 N ATOM 169 CA THR A 11 16.104 -4.756 -6.308 1.00 10.00 C ATOM 170 C THR A 11 17.442 -4.737 -5.569 1.00 10.00 C ATOM 171 O THR A 11 18.355 -3.976 -5.895 1.00 10.00 O ATOM 172 CB THR A 11 16.078 -5.886 -7.343 1.00 10.00 C ATOM 173 OG1 THR A 11 16.911 -5.540 -8.435 1.00 10.00 O ATOM 174 CG2 THR A 11 14.648 -6.110 -7.837 1.00 10.00 C ATOM 0 H THR A 11 15.946 -3.576 -8.009 1.00 10.00 H new ATOM 0 HA THR A 11 15.327 -4.913 -5.559 1.00 10.00 H new ATOM 0 HB THR A 11 16.441 -6.805 -6.882 1.00 10.00 H new ATOM 0 HG1 THR A 11 16.898 -6.262 -9.098 1.00 10.00 H new ATOM 0 HG21 THR A 11 14.639 -6.915 -8.572 1.00 10.00 H new ATOM 0 HG22 THR A 11 14.010 -6.380 -6.995 1.00 10.00 H new ATOM 0 HG23 THR A 11 14.274 -5.195 -8.296 1.00 10.00 H new ATOM 182 N GLN A 12 17.574 -5.644 -4.596 1.00 10.00 N ATOM 183 CA GLN A 12 18.810 -5.869 -3.864 1.00 10.00 C ATOM 184 C GLN A 12 19.988 -6.090 -4.815 1.00 10.00 C ATOM 185 O GLN A 12 21.085 -5.600 -4.568 1.00 10.00 O ATOM 186 CB GLN A 12 18.630 -7.065 -2.925 1.00 10.00 C ATOM 187 CG GLN A 12 17.629 -6.795 -1.787 1.00 10.00 C ATOM 188 CD GLN A 12 17.986 -5.563 -0.956 1.00 10.00 C ATOM 189 OE1 GLN A 12 17.186 -4.639 -0.822 1.00 10.00 O ATOM 190 NE2 GLN A 12 19.199 -5.513 -0.416 1.00 10.00 N ATOM 0 H GLN A 12 16.809 -6.248 -4.295 1.00 10.00 H new ATOM 0 HA GLN A 12 19.038 -4.981 -3.274 1.00 10.00 H new ATOM 0 HB2 GLN A 12 18.291 -7.925 -3.503 1.00 10.00 H new ATOM 0 HB3 GLN A 12 19.596 -7.331 -2.496 1.00 10.00 H new ATOM 0 HG2 GLN A 12 16.633 -6.665 -2.210 1.00 10.00 H new ATOM 0 HG3 GLN A 12 17.586 -7.667 -1.134 1.00 10.00 H new ATOM 0 HE21 GLN A 12 19.845 -6.292 -0.541 1.00 10.00 H new ATOM 0 HE22 GLN A 12 19.484 -4.696 0.123 1.00 10.00 H new ATOM 199 N ASP A 13 19.750 -6.813 -5.909 1.00 10.00 N ATOM 200 CA ASP A 13 20.702 -6.996 -6.993 1.00 10.00 C ATOM 201 C ASP A 13 21.262 -5.644 -7.447 1.00 10.00 C ATOM 202 O ASP A 13 22.474 -5.429 -7.419 1.00 10.00 O ATOM 203 CB ASP A 13 20.019 -7.723 -8.161 1.00 10.00 C ATOM 204 CG ASP A 13 19.345 -9.021 -7.728 1.00 10.00 C ATOM 205 OD1 ASP A 13 18.277 -8.904 -7.087 1.00 10.00 O ATOM 206 OD2 ASP A 13 19.909 -10.094 -8.033 1.00 10.00 O ATOM 0 H ASP A 13 18.866 -7.298 -6.065 1.00 10.00 H new ATOM 0 HA ASP A 13 21.535 -7.603 -6.639 1.00 10.00 H new ATOM 0 HB2 ASP A 13 19.276 -7.064 -8.610 1.00 10.00 H new ATOM 0 HB3 ASP A 13 20.759 -7.941 -8.931 1.00 10.00 H new ATOM 211 N LEU A 14 20.377 -4.722 -7.843 1.00 10.00 N ATOM 212 CA LEU A 14 20.784 -3.396 -8.286 1.00 10.00 C ATOM 213 C LEU A 14 21.502 -2.664 -7.154 1.00 10.00 C ATOM 214 O LEU A 14 22.557 -2.085 -7.383 1.00 10.00 O ATOM 215 CB LEU A 14 19.583 -2.607 -8.833 1.00 10.00 C ATOM 216 CG LEU A 14 19.911 -1.159 -9.247 1.00 10.00 C ATOM 217 CD1 LEU A 14 21.124 -1.004 -10.176 1.00 10.00 C ATOM 218 CD2 LEU A 14 18.700 -0.551 -9.959 1.00 10.00 C ATOM 0 H LEU A 14 19.369 -4.878 -7.863 1.00 10.00 H new ATOM 0 HA LEU A 14 21.490 -3.494 -9.111 1.00 10.00 H new ATOM 0 HB2 LEU A 14 19.178 -3.136 -9.696 1.00 10.00 H new ATOM 0 HB3 LEU A 14 18.800 -2.587 -8.075 1.00 10.00 H new ATOM 0 HG LEU A 14 20.159 -0.647 -8.317 1.00 10.00 H new ATOM 0 HD11 LEU A 14 21.272 0.051 -10.409 1.00 10.00 H new ATOM 0 HD12 LEU A 14 22.013 -1.394 -9.681 1.00 10.00 H new ATOM 0 HD13 LEU A 14 20.949 -1.558 -11.098 1.00 10.00 H new ATOM 0 HD21 LEU A 14 18.928 0.473 -10.254 1.00 10.00 H new ATOM 0 HD22 LEU A 14 18.466 -1.140 -10.846 1.00 10.00 H new ATOM 0 HD23 LEU A 14 17.843 -0.553 -9.285 1.00 10.00 H new ATOM 230 N ARG A 15 20.967 -2.699 -5.931 1.00 10.00 N ATOM 231 CA ARG A 15 21.629 -2.059 -4.795 1.00 10.00 C ATOM 232 C ARG A 15 23.077 -2.551 -4.653 1.00 10.00 C ATOM 233 O ARG A 15 24.007 -1.753 -4.550 1.00 10.00 O ATOM 234 CB ARG A 15 20.848 -2.299 -3.499 1.00 10.00 C ATOM 235 CG ARG A 15 19.437 -1.697 -3.551 1.00 10.00 C ATOM 236 CD ARG A 15 18.695 -1.948 -2.238 1.00 10.00 C ATOM 237 NE ARG A 15 19.399 -1.312 -1.122 1.00 10.00 N ATOM 238 CZ ARG A 15 19.294 -1.642 0.169 1.00 10.00 C ATOM 239 NH1 ARG A 15 18.404 -2.554 0.579 1.00 10.00 N ATOM 240 NH2 ARG A 15 20.090 -1.029 1.050 1.00 10.00 N ATOM 0 H ARG A 15 20.086 -3.159 -5.704 1.00 10.00 H new ATOM 0 HA ARG A 15 21.652 -0.986 -4.985 1.00 10.00 H new ATOM 0 HB2 ARG A 15 20.777 -3.371 -3.313 1.00 10.00 H new ATOM 0 HB3 ARG A 15 21.395 -1.866 -2.662 1.00 10.00 H new ATOM 0 HG2 ARG A 15 19.500 -0.625 -3.740 1.00 10.00 H new ATOM 0 HG3 ARG A 15 18.880 -2.135 -4.379 1.00 10.00 H new ATOM 0 HD2 ARG A 15 17.680 -1.556 -2.306 1.00 10.00 H new ATOM 0 HD3 ARG A 15 18.612 -3.020 -2.060 1.00 10.00 H new ATOM 0 HE ARG A 15 20.030 -0.544 -1.352 1.00 10.00 H new ATOM 0 HH11 ARG A 15 17.792 -3.010 -0.098 1.00 10.00 H new ATOM 0 HH12 ARG A 15 18.338 -2.793 1.568 1.00 10.00 H new ATOM 0 HH21 ARG A 15 20.758 -0.327 0.732 1.00 10.00 H new ATOM 0 HH22 ARG A 15 20.029 -1.263 2.041 1.00 10.00 H new ATOM 254 N SER A 16 23.271 -3.871 -4.663 1.00 10.00 N ATOM 255 CA SER A 16 24.578 -4.503 -4.542 1.00 10.00 C ATOM 256 C SER A 16 25.482 -4.077 -5.702 1.00 10.00 C ATOM 257 O SER A 16 26.650 -3.740 -5.501 1.00 10.00 O ATOM 258 CB SER A 16 24.405 -6.027 -4.487 1.00 10.00 C ATOM 259 OG SER A 16 25.610 -6.660 -4.098 1.00 10.00 O ATOM 0 H SER A 16 22.507 -4.540 -4.757 1.00 10.00 H new ATOM 0 HA SER A 16 25.059 -4.181 -3.619 1.00 10.00 H new ATOM 0 HB2 SER A 16 23.613 -6.282 -3.783 1.00 10.00 H new ATOM 0 HB3 SER A 16 24.095 -6.397 -5.464 1.00 10.00 H new ATOM 0 HG SER A 16 25.475 -7.630 -4.068 1.00 10.00 H new ATOM 265 N HIS A 17 24.948 -4.094 -6.925 1.00 10.00 N ATOM 266 CA HIS A 17 25.698 -3.641 -8.084 1.00 10.00 C ATOM 267 C HIS A 17 26.144 -2.197 -7.865 1.00 10.00 C ATOM 268 O HIS A 17 27.323 -1.896 -8.001 1.00 10.00 O ATOM 269 CB HIS A 17 24.861 -3.807 -9.356 1.00 10.00 C ATOM 270 CG HIS A 17 25.597 -3.613 -10.661 1.00 10.00 C ATOM 271 ND1 HIS A 17 24.975 -3.668 -11.906 1.00 10.00 N ATOM 272 CD2 HIS A 17 26.948 -3.491 -10.843 1.00 10.00 C ATOM 273 CE1 HIS A 17 25.957 -3.583 -12.811 1.00 10.00 C ATOM 274 NE2 HIS A 17 27.149 -3.468 -12.205 1.00 10.00 N ATOM 0 H HIS A 17 24.003 -4.416 -7.132 1.00 10.00 H new ATOM 0 HA HIS A 17 26.592 -4.251 -8.212 1.00 10.00 H new ATOM 0 HB2 HIS A 17 24.424 -4.806 -9.353 1.00 10.00 H new ATOM 0 HB3 HIS A 17 24.034 -3.098 -9.319 1.00 10.00 H new ATOM 0 HD2 HIS A 17 27.704 -3.426 -10.074 1.00 10.00 H new ATOM 0 HE1 HIS A 17 25.811 -3.604 -13.881 1.00 10.00 H new ATOM 0 HE2 HIS A 17 28.051 -3.379 -12.674 1.00 10.00 H new ATOM 282 N LEU A 18 25.229 -1.306 -7.482 1.00 10.00 N ATOM 283 CA LEU A 18 25.545 0.086 -7.199 1.00 10.00 C ATOM 284 C LEU A 18 26.625 0.197 -6.119 1.00 10.00 C ATOM 285 O LEU A 18 27.570 0.954 -6.301 1.00 10.00 O ATOM 286 CB LEU A 18 24.277 0.871 -6.838 1.00 10.00 C ATOM 287 CG LEU A 18 23.343 1.080 -8.040 1.00 10.00 C ATOM 288 CD1 LEU A 18 21.982 1.549 -7.530 1.00 10.00 C ATOM 289 CD2 LEU A 18 23.862 2.121 -9.038 1.00 10.00 C ATOM 0 H LEU A 18 24.243 -1.536 -7.360 1.00 10.00 H new ATOM 0 HA LEU A 18 25.955 0.537 -8.103 1.00 10.00 H new ATOM 0 HB2 LEU A 18 23.738 0.341 -6.053 1.00 10.00 H new ATOM 0 HB3 LEU A 18 24.560 1.842 -6.431 1.00 10.00 H new ATOM 0 HG LEU A 18 23.281 0.125 -8.562 1.00 10.00 H new ATOM 0 HD11 LEU A 18 21.310 1.701 -8.374 1.00 10.00 H new ATOM 0 HD12 LEU A 18 21.563 0.795 -6.864 1.00 10.00 H new ATOM 0 HD13 LEU A 18 22.100 2.487 -6.987 1.00 10.00 H new ATOM 0 HD21 LEU A 18 23.155 2.219 -9.862 1.00 10.00 H new ATOM 0 HD22 LEU A 18 23.971 3.083 -8.537 1.00 10.00 H new ATOM 0 HD23 LEU A 18 24.829 1.802 -9.426 1.00 10.00 H new ATOM 301 N VAL A 19 26.538 -0.562 -5.023 1.00 10.00 N ATOM 302 CA VAL A 19 27.623 -0.658 -4.044 1.00 10.00 C ATOM 303 C VAL A 19 28.956 -0.972 -4.738 1.00 10.00 C ATOM 304 O VAL A 19 29.939 -0.263 -4.523 1.00 10.00 O ATOM 305 CB VAL A 19 27.274 -1.661 -2.927 1.00 10.00 C ATOM 306 CG1 VAL A 19 28.479 -2.070 -2.071 1.00 10.00 C ATOM 307 CG2 VAL A 19 26.214 -1.063 -1.996 1.00 10.00 C ATOM 0 H VAL A 19 25.719 -1.124 -4.791 1.00 10.00 H new ATOM 0 HA VAL A 19 27.744 0.310 -3.559 1.00 10.00 H new ATOM 0 HB VAL A 19 26.905 -2.552 -3.435 1.00 10.00 H new ATOM 0 HG11 VAL A 19 28.159 -2.777 -1.306 1.00 10.00 H new ATOM 0 HG12 VAL A 19 29.233 -2.538 -2.704 1.00 10.00 H new ATOM 0 HG13 VAL A 19 28.903 -1.186 -1.594 1.00 10.00 H new ATOM 0 HG21 VAL A 19 25.974 -1.779 -1.210 1.00 10.00 H new ATOM 0 HG22 VAL A 19 26.599 -0.147 -1.547 1.00 10.00 H new ATOM 0 HG23 VAL A 19 25.314 -0.836 -2.567 1.00 10.00 H new ATOM 317 N HIS A 20 29.012 -2.004 -5.586 1.00 10.00 N ATOM 318 CA HIS A 20 30.230 -2.266 -6.351 1.00 10.00 C ATOM 319 C HIS A 20 30.641 -1.020 -7.151 1.00 10.00 C ATOM 320 O HIS A 20 31.785 -0.577 -7.057 1.00 10.00 O ATOM 321 CB HIS A 20 30.070 -3.491 -7.257 1.00 10.00 C ATOM 322 CG HIS A 20 31.282 -3.780 -8.096 1.00 10.00 C ATOM 323 ND1 HIS A 20 32.593 -3.399 -7.817 1.00 10.00 N ATOM 324 CD2 HIS A 20 31.237 -4.420 -9.295 1.00 10.00 C ATOM 325 CE1 HIS A 20 33.310 -3.801 -8.876 1.00 10.00 C ATOM 326 NE2 HIS A 20 32.525 -4.415 -9.780 1.00 10.00 N ATOM 0 H HIS A 20 28.247 -2.656 -5.756 1.00 10.00 H new ATOM 0 HA HIS A 20 31.031 -2.494 -5.647 1.00 10.00 H new ATOM 0 HB2 HIS A 20 29.849 -4.362 -6.640 1.00 10.00 H new ATOM 0 HB3 HIS A 20 29.213 -3.338 -7.912 1.00 10.00 H new ATOM 0 HD2 HIS A 20 30.366 -4.846 -9.771 1.00 10.00 H new ATOM 0 HE1 HIS A 20 34.374 -3.652 -8.988 1.00 10.00 H new ATOM 0 HE2 HIS A 20 32.831 -4.808 -10.670 1.00 10.00 H new ATOM 334 N LYS A 21 29.705 -0.426 -7.905 1.00 10.00 N ATOM 335 CA LYS A 21 29.963 0.793 -8.667 1.00 10.00 C ATOM 336 C LYS A 21 30.579 1.876 -7.782 1.00 10.00 C ATOM 337 O LYS A 21 31.542 2.504 -8.206 1.00 10.00 O ATOM 338 CB LYS A 21 28.721 1.333 -9.390 1.00 10.00 C ATOM 339 CG LYS A 21 28.047 0.364 -10.373 1.00 10.00 C ATOM 340 CD LYS A 21 28.911 -0.103 -11.556 1.00 10.00 C ATOM 341 CE LYS A 21 29.103 0.998 -12.604 1.00 10.00 C ATOM 342 NZ LYS A 21 27.862 1.254 -13.357 1.00 10.00 N ATOM 0 H LYS A 21 28.753 -0.779 -8.000 1.00 10.00 H new ATOM 0 HA LYS A 21 30.679 0.516 -9.441 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.987 1.629 -8.640 1.00 10.00 H new ATOM 0 HB3 LYS A 21 29.003 2.235 -9.934 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.719 -0.515 -9.819 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.152 0.843 -10.769 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.885 -0.425 -11.187 1.00 10.00 H new ATOM 0 HD3 LYS A 21 28.445 -0.970 -12.024 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.427 1.916 -12.113 1.00 10.00 H new ATOM 0 HE3 LYS A 21 29.895 0.709 -13.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 27.959 2.139 -13.895 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 27.686 0.467 -14.014 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 27.065 1.337 -12.694 1.00 10.00 H new ATOM 356 N LEU A 22 30.066 2.088 -6.564 1.00 10.00 N ATOM 357 CA LEU A 22 30.680 3.005 -5.613 1.00 10.00 C ATOM 358 C LEU A 22 32.152 2.637 -5.441 1.00 10.00 C ATOM 359 O LEU A 22 33.019 3.477 -5.679 1.00 10.00 O ATOM 360 CB LEU A 22 29.964 3.012 -4.251 1.00 10.00 C ATOM 361 CG LEU A 22 28.517 3.521 -4.236 1.00 10.00 C ATOM 362 CD1 LEU A 22 27.966 3.402 -2.813 1.00 10.00 C ATOM 363 CD2 LEU A 22 28.452 4.987 -4.667 1.00 10.00 C ATOM 0 H LEU A 22 29.222 1.631 -6.218 1.00 10.00 H new ATOM 0 HA LEU A 22 30.590 4.014 -6.015 1.00 10.00 H new ATOM 0 HB2 LEU A 22 29.971 1.996 -3.858 1.00 10.00 H new ATOM 0 HB3 LEU A 22 30.547 3.624 -3.563 1.00 10.00 H new ATOM 0 HG LEU A 22 27.928 2.923 -4.931 1.00 10.00 H new ATOM 0 HD11 LEU A 22 26.937 3.761 -2.790 1.00 10.00 H new ATOM 0 HD12 LEU A 22 27.993 2.359 -2.498 1.00 10.00 H new ATOM 0 HD13 LEU A 22 28.575 4.001 -2.136 1.00 10.00 H new ATOM 0 HD21 LEU A 22 27.416 5.326 -4.649 1.00 10.00 H new ATOM 0 HD22 LEU A 22 29.045 5.594 -3.983 1.00 10.00 H new ATOM 0 HD23 LEU A 22 28.849 5.087 -5.677 1.00 10.00 H new ATOM 375 N VAL A 23 32.442 1.389 -5.053 1.00 10.00 N ATOM 376 CA VAL A 23 33.822 0.966 -4.836 1.00 10.00 C ATOM 377 C VAL A 23 34.673 1.262 -6.073 1.00 10.00 C ATOM 378 O VAL A 23 35.626 2.023 -5.959 1.00 10.00 O ATOM 379 CB VAL A 23 33.933 -0.502 -4.392 1.00 10.00 C ATOM 380 CG1 VAL A 23 35.400 -0.882 -4.117 1.00 10.00 C ATOM 381 CG2 VAL A 23 33.133 -0.749 -3.108 1.00 10.00 C ATOM 0 H VAL A 23 31.744 0.664 -4.885 1.00 10.00 H new ATOM 0 HA VAL A 23 34.216 1.552 -4.006 1.00 10.00 H new ATOM 0 HB VAL A 23 33.534 -1.111 -5.203 1.00 10.00 H new ATOM 0 HG11 VAL A 23 35.453 -1.925 -3.804 1.00 10.00 H new ATOM 0 HG12 VAL A 23 35.988 -0.745 -5.025 1.00 10.00 H new ATOM 0 HG13 VAL A 23 35.799 -0.246 -3.327 1.00 10.00 H new ATOM 0 HG21 VAL A 23 33.228 -1.795 -2.816 1.00 10.00 H new ATOM 0 HG22 VAL A 23 33.518 -0.113 -2.311 1.00 10.00 H new ATOM 0 HG23 VAL A 23 32.083 -0.515 -3.283 1.00 10.00 H new ATOM 391 N GLN A 24 34.350 0.703 -7.245 1.00 10.00 N ATOM 392 CA GLN A 24 35.192 0.903 -8.428 1.00 10.00 C ATOM 393 C GLN A 24 35.267 2.377 -8.854 1.00 10.00 C ATOM 394 O GLN A 24 36.321 2.835 -9.285 1.00 10.00 O ATOM 395 CB GLN A 24 34.812 -0.035 -9.586 1.00 10.00 C ATOM 396 CG GLN A 24 33.344 0.039 -10.016 1.00 10.00 C ATOM 397 CD GLN A 24 33.097 -0.698 -11.328 1.00 10.00 C ATOM 398 OE1 GLN A 24 33.223 -1.915 -11.401 1.00 10.00 O ATOM 399 NE2 GLN A 24 32.736 0.028 -12.383 1.00 10.00 N ATOM 0 H GLN A 24 33.528 0.119 -7.398 1.00 10.00 H new ATOM 0 HA GLN A 24 36.204 0.624 -8.136 1.00 10.00 H new ATOM 0 HB2 GLN A 24 35.440 0.199 -10.446 1.00 10.00 H new ATOM 0 HB3 GLN A 24 35.039 -1.060 -9.294 1.00 10.00 H new ATOM 0 HG2 GLN A 24 32.715 -0.389 -9.235 1.00 10.00 H new ATOM 0 HG3 GLN A 24 33.050 1.083 -10.125 1.00 10.00 H new ATOM 0 HE21 GLN A 24 32.638 1.040 -12.297 1.00 10.00 H new ATOM 0 HE22 GLN A 24 32.557 -0.427 -13.278 1.00 10.00 H new ATOM 408 N ALA A 25 34.174 3.135 -8.747 1.00 10.00 N ATOM 409 CA ALA A 25 34.167 4.539 -9.136 1.00 10.00 C ATOM 410 C ALA A 25 35.097 5.351 -8.235 1.00 10.00 C ATOM 411 O ALA A 25 35.863 6.181 -8.718 1.00 10.00 O ATOM 412 CB ALA A 25 32.744 5.100 -9.102 1.00 10.00 C ATOM 0 H ALA A 25 33.280 2.794 -8.392 1.00 10.00 H new ATOM 0 HA ALA A 25 34.536 4.616 -10.159 1.00 10.00 H new ATOM 0 HB1 ALA A 25 32.760 6.150 -9.396 1.00 10.00 H new ATOM 0 HB2 ALA A 25 32.115 4.539 -9.793 1.00 10.00 H new ATOM 0 HB3 ALA A 25 32.342 5.012 -8.093 1.00 10.00 H new ATOM 418 N ILE A 26 35.030 5.128 -6.922 1.00 10.00 N ATOM 419 CA ILE A 26 35.897 5.793 -5.961 1.00 10.00 C ATOM 420 C ILE A 26 37.342 5.306 -6.122 1.00 10.00 C ATOM 421 O ILE A 26 38.282 6.100 -6.115 1.00 10.00 O ATOM 422 CB ILE A 26 35.378 5.501 -4.538 1.00 10.00 C ATOM 423 CG1 ILE A 26 33.966 6.089 -4.347 1.00 10.00 C ATOM 424 CG2 ILE A 26 36.348 6.060 -3.484 1.00 10.00 C ATOM 425 CD1 ILE A 26 33.257 5.493 -3.124 1.00 10.00 C ATOM 0 H ILE A 26 34.369 4.478 -6.498 1.00 10.00 H new ATOM 0 HA ILE A 26 35.886 6.869 -6.136 1.00 10.00 H new ATOM 0 HB ILE A 26 35.319 4.421 -4.407 1.00 10.00 H new ATOM 0 HG12 ILE A 26 34.036 7.171 -4.234 1.00 10.00 H new ATOM 0 HG13 ILE A 26 33.370 5.899 -5.240 1.00 10.00 H new ATOM 0 HG21 ILE A 26 35.965 5.844 -2.486 1.00 10.00 H new ATOM 0 HG22 ILE A 26 37.326 5.594 -3.606 1.00 10.00 H new ATOM 0 HG23 ILE A 26 36.442 7.138 -3.611 1.00 10.00 H new ATOM 0 HD11 ILE A 26 32.265 5.935 -3.027 1.00 10.00 H new ATOM 0 HD12 ILE A 26 33.163 4.414 -3.248 1.00 10.00 H new ATOM 0 HD13 ILE A 26 33.838 5.706 -2.227 1.00 10.00 H new ATOM 437 N PHE A 27 37.505 3.986 -6.209 1.00 10.00 N ATOM 438 CA PHE A 27 38.757 3.249 -6.144 1.00 10.00 C ATOM 439 C PHE A 27 38.653 2.014 -7.056 1.00 10.00 C ATOM 440 O PHE A 27 38.186 0.967 -6.609 1.00 10.00 O ATOM 441 CB PHE A 27 38.931 2.843 -4.671 1.00 10.00 C ATOM 442 CG PHE A 27 40.284 2.305 -4.254 1.00 10.00 C ATOM 443 CD1 PHE A 27 40.606 0.958 -4.498 1.00 10.00 C ATOM 444 CD2 PHE A 27 41.104 3.071 -3.403 1.00 10.00 C ATOM 445 CE1 PHE A 27 41.741 0.384 -3.908 1.00 10.00 C ATOM 446 CE2 PHE A 27 42.238 2.493 -2.806 1.00 10.00 C ATOM 447 CZ PHE A 27 42.562 1.150 -3.063 1.00 10.00 C ATOM 0 H PHE A 27 36.706 3.364 -6.336 1.00 10.00 H new ATOM 0 HA PHE A 27 39.612 3.836 -6.480 1.00 10.00 H new ATOM 0 HB2 PHE A 27 38.709 3.713 -4.053 1.00 10.00 H new ATOM 0 HB3 PHE A 27 38.181 2.087 -4.439 1.00 10.00 H new ATOM 0 HD1 PHE A 27 39.976 0.363 -5.143 1.00 10.00 H new ATOM 0 HD2 PHE A 27 40.861 4.105 -3.208 1.00 10.00 H new ATOM 0 HE1 PHE A 27 41.985 -0.650 -4.103 1.00 10.00 H new ATOM 0 HE2 PHE A 27 42.861 3.082 -2.149 1.00 10.00 H new ATOM 0 HZ PHE A 27 43.439 0.708 -2.613 1.00 10.00 H new ATOM 457 N PRO A 28 39.059 2.111 -8.331 1.00 10.00 N ATOM 458 CA PRO A 28 38.964 1.022 -9.295 1.00 10.00 C ATOM 459 C PRO A 28 39.489 -0.310 -8.746 1.00 10.00 C ATOM 460 O PRO A 28 40.652 -0.415 -8.363 1.00 10.00 O ATOM 461 CB PRO A 28 39.746 1.503 -10.513 1.00 10.00 C ATOM 462 CG PRO A 28 39.539 3.017 -10.471 1.00 10.00 C ATOM 463 CD PRO A 28 39.555 3.318 -8.972 1.00 10.00 C ATOM 0 HA PRO A 28 37.926 0.803 -9.544 1.00 10.00 H new ATOM 0 HB2 PRO A 28 40.801 1.237 -10.447 1.00 10.00 H new ATOM 0 HB3 PRO A 28 39.364 1.068 -11.437 1.00 10.00 H new ATOM 0 HG2 PRO A 28 40.331 3.549 -10.999 1.00 10.00 H new ATOM 0 HG3 PRO A 28 38.596 3.310 -10.933 1.00 10.00 H new ATOM 0 HD2 PRO A 28 40.562 3.559 -8.630 1.00 10.00 H new ATOM 0 HD3 PRO A 28 38.925 4.175 -8.737 1.00 10.00 H new ATOM 471 N THR A 29 38.627 -1.328 -8.696 1.00 10.00 N ATOM 472 CA THR A 29 38.937 -2.635 -8.143 1.00 10.00 C ATOM 473 C THR A 29 39.872 -3.396 -9.087 1.00 10.00 C ATOM 474 O THR A 29 39.456 -3.659 -10.216 1.00 10.00 O ATOM 475 CB THR A 29 37.617 -3.405 -8.019 1.00 10.00 C ATOM 476 OG1 THR A 29 36.904 -3.262 -9.233 1.00 10.00 O ATOM 477 CG2 THR A 29 36.764 -2.861 -6.875 1.00 10.00 C ATOM 0 H THR A 29 37.673 -1.258 -9.049 1.00 10.00 H new ATOM 0 HA THR A 29 39.427 -2.530 -7.175 1.00 10.00 H new ATOM 0 HB THR A 29 37.837 -4.452 -7.812 1.00 10.00 H new ATOM 0 HG1 THR A 29 37.523 -3.346 -9.988 1.00 10.00 H new ATOM 0 HG21 THR A 29 35.835 -3.427 -6.813 1.00 10.00 H new ATOM 0 HG22 THR A 29 37.310 -2.956 -5.937 1.00 10.00 H new ATOM 0 HG23 THR A 29 36.537 -1.811 -7.058 1.00 10.00 H new ATOM 485 N PRO A 30 41.074 -3.811 -8.652 1.00 10.00 N ATOM 486 CA PRO A 30 41.951 -4.656 -9.450 1.00 10.00 C ATOM 487 C PRO A 30 41.263 -5.937 -9.932 1.00 10.00 C ATOM 488 O PRO A 30 41.420 -6.324 -11.087 1.00 10.00 O ATOM 489 CB PRO A 30 43.155 -4.969 -8.555 1.00 10.00 C ATOM 490 CG PRO A 30 43.198 -3.777 -7.601 1.00 10.00 C ATOM 491 CD PRO A 30 41.717 -3.461 -7.395 1.00 10.00 C ATOM 0 HA PRO A 30 42.248 -4.142 -10.364 1.00 10.00 H new ATOM 0 HB2 PRO A 30 43.025 -5.909 -8.019 1.00 10.00 H new ATOM 0 HB3 PRO A 30 44.075 -5.056 -9.133 1.00 10.00 H new ATOM 0 HG2 PRO A 30 43.694 -4.026 -6.663 1.00 10.00 H new ATOM 0 HG3 PRO A 30 43.737 -2.933 -8.031 1.00 10.00 H new ATOM 0 HD2 PRO A 30 41.303 -4.037 -6.567 1.00 10.00 H new ATOM 0 HD3 PRO A 30 41.569 -2.408 -7.157 1.00 10.00 H new ATOM 499 N ASP A 31 40.535 -6.619 -9.039 1.00 10.00 N ATOM 500 CA ASP A 31 39.926 -7.916 -9.308 1.00 10.00 C ATOM 501 C ASP A 31 38.903 -8.189 -8.203 1.00 10.00 C ATOM 502 O ASP A 31 39.155 -7.761 -7.079 1.00 10.00 O ATOM 503 CB ASP A 31 41.026 -8.989 -9.266 1.00 10.00 C ATOM 504 CG ASP A 31 40.518 -10.341 -9.749 1.00 10.00 C ATOM 505 OD1 ASP A 31 39.950 -11.068 -8.905 1.00 10.00 O ATOM 506 OD2 ASP A 31 40.681 -10.617 -10.956 1.00 10.00 O ATOM 0 H ASP A 31 40.353 -6.275 -8.096 1.00 10.00 H new ATOM 0 HA ASP A 31 39.440 -7.930 -10.284 1.00 10.00 H new ATOM 0 HB2 ASP A 31 41.865 -8.674 -9.886 1.00 10.00 H new ATOM 0 HB3 ASP A 31 41.401 -9.085 -8.247 1.00 10.00 H new ATOM 511 N PRO A 32 37.793 -8.905 -8.451 1.00 10.00 N ATOM 512 CA PRO A 32 36.900 -9.372 -7.396 1.00 10.00 C ATOM 513 C PRO A 32 37.644 -9.994 -6.206 1.00 10.00 C ATOM 514 O PRO A 32 37.345 -9.690 -5.054 1.00 10.00 O ATOM 515 CB PRO A 32 35.962 -10.372 -8.077 1.00 10.00 C ATOM 516 CG PRO A 32 35.861 -9.810 -9.495 1.00 10.00 C ATOM 517 CD PRO A 32 37.275 -9.286 -9.757 1.00 10.00 C ATOM 0 HA PRO A 32 36.354 -8.539 -6.953 1.00 10.00 H new ATOM 0 HB2 PRO A 32 36.370 -11.383 -8.068 1.00 10.00 H new ATOM 0 HB3 PRO A 32 34.989 -10.416 -7.587 1.00 10.00 H new ATOM 0 HG2 PRO A 32 35.575 -10.577 -10.214 1.00 10.00 H new ATOM 0 HG3 PRO A 32 35.117 -9.016 -9.563 1.00 10.00 H new ATOM 0 HD2 PRO A 32 37.898 -10.051 -10.219 1.00 10.00 H new ATOM 0 HD3 PRO A 32 37.259 -8.434 -10.437 1.00 10.00 H new ATOM 525 N ALA A 33 38.652 -10.832 -6.472 1.00 10.00 N ATOM 526 CA ALA A 33 39.465 -11.452 -5.431 1.00 10.00 C ATOM 527 C ALA A 33 40.113 -10.424 -4.496 1.00 10.00 C ATOM 528 O ALA A 33 40.439 -10.751 -3.358 1.00 10.00 O ATOM 529 CB ALA A 33 40.533 -12.343 -6.071 1.00 10.00 C ATOM 0 H ALA A 33 38.924 -11.097 -7.419 1.00 10.00 H new ATOM 0 HA ALA A 33 38.800 -12.058 -4.815 1.00 10.00 H new ATOM 0 HB1 ALA A 33 41.138 -12.804 -5.290 1.00 10.00 H new ATOM 0 HB2 ALA A 33 40.051 -13.121 -6.663 1.00 10.00 H new ATOM 0 HB3 ALA A 33 41.172 -11.739 -6.716 1.00 10.00 H new ATOM 535 N ALA A 34 40.306 -9.183 -4.955 1.00 10.00 N ATOM 536 CA ALA A 34 40.865 -8.120 -4.137 1.00 10.00 C ATOM 537 C ALA A 34 39.937 -7.749 -2.976 1.00 10.00 C ATOM 538 O ALA A 34 40.415 -7.238 -1.967 1.00 10.00 O ATOM 539 CB ALA A 34 41.168 -6.895 -5.007 1.00 10.00 C ATOM 0 H ALA A 34 40.076 -8.895 -5.906 1.00 10.00 H new ATOM 0 HA ALA A 34 41.795 -8.483 -3.700 1.00 10.00 H new ATOM 0 HB1 ALA A 34 41.587 -6.103 -4.387 1.00 10.00 H new ATOM 0 HB2 ALA A 34 41.885 -7.167 -5.781 1.00 10.00 H new ATOM 0 HB3 ALA A 34 40.248 -6.543 -5.473 1.00 10.00 H new ATOM 545 N LEU A 35 38.623 -7.990 -3.097 1.00 10.00 N ATOM 546 CA LEU A 35 37.635 -7.484 -2.145 1.00 10.00 C ATOM 547 C LEU A 35 37.941 -7.870 -0.691 1.00 10.00 C ATOM 548 O LEU A 35 37.621 -7.113 0.222 1.00 10.00 O ATOM 549 CB LEU A 35 36.212 -7.904 -2.548 1.00 10.00 C ATOM 550 CG LEU A 35 35.729 -7.301 -3.883 1.00 10.00 C ATOM 551 CD1 LEU A 35 34.505 -8.078 -4.382 1.00 10.00 C ATOM 552 CD2 LEU A 35 35.338 -5.825 -3.750 1.00 10.00 C ATOM 0 H LEU A 35 38.221 -8.540 -3.856 1.00 10.00 H new ATOM 0 HA LEU A 35 37.698 -6.397 -2.187 1.00 10.00 H new ATOM 0 HB2 LEU A 35 36.172 -8.991 -2.618 1.00 10.00 H new ATOM 0 HB3 LEU A 35 35.521 -7.610 -1.758 1.00 10.00 H new ATOM 0 HG LEU A 35 36.559 -7.374 -4.586 1.00 10.00 H new ATOM 0 HD11 LEU A 35 34.163 -7.652 -5.325 1.00 10.00 H new ATOM 0 HD12 LEU A 35 34.774 -9.124 -4.532 1.00 10.00 H new ATOM 0 HD13 LEU A 35 33.706 -8.012 -3.644 1.00 10.00 H new ATOM 0 HD21 LEU A 35 35.005 -5.448 -4.717 1.00 10.00 H new ATOM 0 HD22 LEU A 35 34.530 -5.727 -3.025 1.00 10.00 H new ATOM 0 HD23 LEU A 35 36.200 -5.249 -3.413 1.00 10.00 H new ATOM 564 N LYS A 36 38.563 -9.034 -0.465 1.00 10.00 N ATOM 565 CA LYS A 36 38.908 -9.492 0.878 1.00 10.00 C ATOM 566 C LYS A 36 39.986 -8.632 1.556 1.00 10.00 C ATOM 567 O LYS A 36 40.124 -8.687 2.777 1.00 10.00 O ATOM 568 CB LYS A 36 39.301 -10.978 0.853 1.00 10.00 C ATOM 569 CG LYS A 36 40.595 -11.254 0.080 1.00 10.00 C ATOM 570 CD LYS A 36 40.898 -12.758 0.071 1.00 10.00 C ATOM 571 CE LYS A 36 42.150 -13.070 -0.757 1.00 10.00 C ATOM 572 NZ LYS A 36 41.912 -12.896 -2.201 1.00 10.00 N ATOM 0 H LYS A 36 38.838 -9.678 -1.206 1.00 10.00 H new ATOM 0 HA LYS A 36 38.014 -9.376 1.491 1.00 10.00 H new ATOM 0 HB2 LYS A 36 39.416 -11.333 1.877 1.00 10.00 H new ATOM 0 HB3 LYS A 36 38.490 -11.553 0.406 1.00 10.00 H new ATOM 0 HG2 LYS A 36 40.501 -10.889 -0.943 1.00 10.00 H new ATOM 0 HG3 LYS A 36 41.423 -10.712 0.537 1.00 10.00 H new ATOM 0 HD2 LYS A 36 41.039 -13.109 1.093 1.00 10.00 H new ATOM 0 HD3 LYS A 36 40.045 -13.300 -0.337 1.00 10.00 H new ATOM 0 HE2 LYS A 36 42.965 -12.418 -0.442 1.00 10.00 H new ATOM 0 HE3 LYS A 36 42.468 -14.094 -0.562 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 42.815 -12.967 -2.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 41.264 -13.637 -2.538 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 41.489 -11.962 -2.373 1.00 10.00 H new ATOM 586 N ASP A 37 40.778 -7.871 0.789 1.00 10.00 N ATOM 587 CA ASP A 37 41.789 -6.974 1.340 1.00 10.00 C ATOM 588 C ASP A 37 41.147 -6.054 2.380 1.00 10.00 C ATOM 589 O ASP A 37 40.117 -5.459 2.095 1.00 10.00 O ATOM 590 CB ASP A 37 42.403 -6.137 0.211 1.00 10.00 C ATOM 591 CG ASP A 37 43.247 -4.995 0.760 1.00 10.00 C ATOM 592 OD1 ASP A 37 42.656 -3.913 0.976 1.00 10.00 O ATOM 593 OD2 ASP A 37 44.452 -5.230 0.988 1.00 10.00 O ATOM 0 H ASP A 37 40.732 -7.864 -0.230 1.00 10.00 H new ATOM 0 HA ASP A 37 42.573 -7.561 1.818 1.00 10.00 H new ATOM 0 HB2 ASP A 37 43.019 -6.775 -0.422 1.00 10.00 H new ATOM 0 HB3 ASP A 37 41.609 -5.735 -0.418 1.00 10.00 H new ATOM 598 N ARG A 38 41.747 -5.908 3.564 1.00 10.00 N ATOM 599 CA ARG A 38 41.131 -5.182 4.671 1.00 10.00 C ATOM 600 C ARG A 38 40.687 -3.765 4.276 1.00 10.00 C ATOM 601 O ARG A 38 39.564 -3.357 4.576 1.00 10.00 O ATOM 602 CB ARG A 38 42.087 -5.174 5.873 1.00 10.00 C ATOM 603 CG ARG A 38 41.529 -4.462 7.115 1.00 10.00 C ATOM 604 CD ARG A 38 40.205 -5.060 7.606 1.00 10.00 C ATOM 605 NE ARG A 38 39.795 -4.444 8.874 1.00 10.00 N ATOM 606 CZ ARG A 38 38.584 -4.576 9.434 1.00 10.00 C ATOM 607 NH1 ARG A 38 37.635 -5.315 8.849 1.00 10.00 N ATOM 608 NH2 ARG A 38 38.325 -3.949 10.586 1.00 10.00 N ATOM 0 H ARG A 38 42.669 -6.289 3.779 1.00 10.00 H new ATOM 0 HA ARG A 38 40.216 -5.703 4.953 1.00 10.00 H new ATOM 0 HB2 ARG A 38 42.331 -6.203 6.136 1.00 10.00 H new ATOM 0 HB3 ARG A 38 43.019 -4.691 5.579 1.00 10.00 H new ATOM 0 HG2 ARG A 38 42.264 -4.514 7.918 1.00 10.00 H new ATOM 0 HG3 ARG A 38 41.382 -3.407 6.886 1.00 10.00 H new ATOM 0 HD2 ARG A 38 39.430 -4.907 6.855 1.00 10.00 H new ATOM 0 HD3 ARG A 38 40.313 -6.137 7.737 1.00 10.00 H new ATOM 0 HE ARG A 38 40.483 -3.873 9.366 1.00 10.00 H new ATOM 0 HH11 ARG A 38 37.828 -5.787 7.966 1.00 10.00 H new ATOM 0 HH12 ARG A 38 36.718 -5.407 9.286 1.00 10.00 H new ATOM 0 HH21 ARG A 38 39.045 -3.378 11.029 1.00 10.00 H new ATOM 0 HH22 ARG A 38 37.408 -4.042 11.022 1.00 10.00 H new ATOM 622 N ARG A 39 41.555 -3.000 3.609 1.00 10.00 N ATOM 623 CA ARG A 39 41.208 -1.650 3.177 1.00 10.00 C ATOM 624 C ARG A 39 40.004 -1.706 2.234 1.00 10.00 C ATOM 625 O ARG A 39 39.024 -0.983 2.421 1.00 10.00 O ATOM 626 CB ARG A 39 42.419 -0.967 2.525 1.00 10.00 C ATOM 627 CG ARG A 39 42.127 0.501 2.191 1.00 10.00 C ATOM 628 CD ARG A 39 43.345 1.153 1.531 1.00 10.00 C ATOM 629 NE ARG A 39 43.074 2.561 1.215 1.00 10.00 N ATOM 630 CZ ARG A 39 43.934 3.384 0.599 1.00 10.00 C ATOM 631 NH1 ARG A 39 45.129 2.937 0.199 1.00 10.00 N ATOM 632 NH2 ARG A 39 43.589 4.657 0.385 1.00 10.00 N ATOM 0 H ARG A 39 42.499 -3.294 3.359 1.00 10.00 H new ATOM 0 HA ARG A 39 40.929 -1.049 4.043 1.00 10.00 H new ATOM 0 HB2 ARG A 39 43.275 -1.024 3.197 1.00 10.00 H new ATOM 0 HB3 ARG A 39 42.692 -1.501 1.615 1.00 10.00 H new ATOM 0 HG2 ARG A 39 41.267 0.564 1.524 1.00 10.00 H new ATOM 0 HG3 ARG A 39 41.866 1.042 3.100 1.00 10.00 H new ATOM 0 HD2 ARG A 39 44.206 1.084 2.196 1.00 10.00 H new ATOM 0 HD3 ARG A 39 43.603 0.614 0.619 1.00 10.00 H new ATOM 0 HE ARG A 39 42.166 2.940 1.484 1.00 10.00 H new ATOM 0 HH11 ARG A 39 45.391 1.965 0.362 1.00 10.00 H new ATOM 0 HH12 ARG A 39 45.779 3.568 -0.269 1.00 10.00 H new ATOM 0 HH21 ARG A 39 42.677 4.996 0.690 1.00 10.00 H new ATOM 0 HH22 ARG A 39 44.238 5.289 -0.083 1.00 10.00 H new ATOM 646 N MET A 40 40.068 -2.579 1.226 1.00 10.00 N ATOM 647 CA MET A 40 38.977 -2.719 0.277 1.00 10.00 C ATOM 648 C MET A 40 37.682 -3.102 0.997 1.00 10.00 C ATOM 649 O MET A 40 36.649 -2.498 0.752 1.00 10.00 O ATOM 650 CB MET A 40 39.334 -3.716 -0.823 1.00 10.00 C ATOM 651 CG MET A 40 38.273 -3.637 -1.930 1.00 10.00 C ATOM 652 SD MET A 40 38.879 -3.990 -3.597 1.00 10.00 S ATOM 653 CE MET A 40 39.781 -2.450 -3.860 1.00 10.00 C ATOM 0 H MET A 40 40.863 -3.194 1.052 1.00 10.00 H new ATOM 0 HA MET A 40 38.811 -1.755 -0.205 1.00 10.00 H new ATOM 0 HB2 MET A 40 40.320 -3.492 -1.229 1.00 10.00 H new ATOM 0 HB3 MET A 40 39.379 -4.726 -0.416 1.00 10.00 H new ATOM 0 HG2 MET A 40 37.472 -4.338 -1.695 1.00 10.00 H new ATOM 0 HG3 MET A 40 37.836 -2.639 -1.923 1.00 10.00 H new ATOM 0 HE1 MET A 40 39.393 -1.948 -4.746 1.00 10.00 H new ATOM 0 HE2 MET A 40 39.656 -1.803 -2.992 1.00 10.00 H new ATOM 0 HE3 MET A 40 40.840 -2.668 -4.001 1.00 10.00 H new ATOM 663 N GLU A 41 37.740 -4.077 1.903 1.00 10.00 N ATOM 664 CA GLU A 41 36.638 -4.517 2.743 1.00 10.00 C ATOM 665 C GLU A 41 36.021 -3.327 3.484 1.00 10.00 C ATOM 666 O GLU A 41 34.803 -3.159 3.508 1.00 10.00 O ATOM 667 CB GLU A 41 37.156 -5.600 3.700 1.00 10.00 C ATOM 668 CG GLU A 41 36.080 -6.161 4.637 1.00 10.00 C ATOM 669 CD GLU A 41 36.683 -7.177 5.602 1.00 10.00 C ATOM 670 OE1 GLU A 41 37.496 -6.740 6.447 1.00 10.00 O ATOM 671 OE2 GLU A 41 36.322 -8.367 5.480 1.00 10.00 O ATOM 0 H GLU A 41 38.597 -4.602 2.076 1.00 10.00 H new ATOM 0 HA GLU A 41 35.842 -4.947 2.135 1.00 10.00 H new ATOM 0 HB2 GLU A 41 37.578 -6.417 3.115 1.00 10.00 H new ATOM 0 HB3 GLU A 41 37.967 -5.185 4.299 1.00 10.00 H new ATOM 0 HG2 GLU A 41 35.619 -5.348 5.198 1.00 10.00 H new ATOM 0 HG3 GLU A 41 35.290 -6.632 4.052 1.00 10.00 H new ATOM 678 N ASN A 42 36.860 -2.483 4.083 1.00 10.00 N ATOM 679 CA ASN A 42 36.379 -1.270 4.737 1.00 10.00 C ATOM 680 C ASN A 42 35.684 -0.354 3.725 1.00 10.00 C ATOM 681 O ASN A 42 34.623 0.194 4.015 1.00 10.00 O ATOM 682 CB ASN A 42 37.506 -0.540 5.479 1.00 10.00 C ATOM 683 CG ASN A 42 37.759 -1.146 6.857 1.00 10.00 C ATOM 684 OD1 ASN A 42 37.285 -0.632 7.865 1.00 10.00 O ATOM 685 ND2 ASN A 42 38.503 -2.243 6.919 1.00 10.00 N ATOM 0 H ASN A 42 37.870 -2.617 4.128 1.00 10.00 H new ATOM 0 HA ASN A 42 35.645 -1.562 5.488 1.00 10.00 H new ATOM 0 HB2 ASN A 42 38.421 -0.586 4.888 1.00 10.00 H new ATOM 0 HB3 ASN A 42 37.248 0.514 5.586 1.00 10.00 H new ATOM 0 HD21 ASN A 42 38.693 -2.680 7.821 1.00 10.00 H new ATOM 0 HD22 ASN A 42 38.885 -2.649 6.065 1.00 10.00 H new ATOM 692 N LEU A 43 36.254 -0.191 2.529 1.00 10.00 N ATOM 693 CA LEU A 43 35.654 0.645 1.494 1.00 10.00 C ATOM 694 C LEU A 43 34.310 0.063 1.027 1.00 10.00 C ATOM 695 O LEU A 43 33.351 0.799 0.814 1.00 10.00 O ATOM 696 CB LEU A 43 36.652 0.850 0.346 1.00 10.00 C ATOM 697 CG LEU A 43 36.150 1.792 -0.761 1.00 10.00 C ATOM 698 CD1 LEU A 43 35.776 3.185 -0.237 1.00 10.00 C ATOM 699 CD2 LEU A 43 37.248 1.952 -1.816 1.00 10.00 C ATOM 0 H LEU A 43 37.133 -0.630 2.255 1.00 10.00 H new ATOM 0 HA LEU A 43 35.429 1.629 1.906 1.00 10.00 H new ATOM 0 HB2 LEU A 43 37.581 1.248 0.753 1.00 10.00 H new ATOM 0 HB3 LEU A 43 36.886 -0.119 -0.095 1.00 10.00 H new ATOM 0 HG LEU A 43 35.250 1.342 -1.180 1.00 10.00 H new ATOM 0 HD11 LEU A 43 35.429 3.804 -1.064 1.00 10.00 H new ATOM 0 HD12 LEU A 43 34.983 3.094 0.505 1.00 10.00 H new ATOM 0 HD13 LEU A 43 36.650 3.648 0.221 1.00 10.00 H new ATOM 0 HD21 LEU A 43 36.900 2.619 -2.605 1.00 10.00 H new ATOM 0 HD22 LEU A 43 38.140 2.373 -1.352 1.00 10.00 H new ATOM 0 HD23 LEU A 43 37.487 0.978 -2.243 1.00 10.00 H new ATOM 711 N VAL A 44 34.222 -1.262 0.901 1.00 10.00 N ATOM 712 CA VAL A 44 32.993 -1.989 0.622 1.00 10.00 C ATOM 713 C VAL A 44 31.972 -1.687 1.724 1.00 10.00 C ATOM 714 O VAL A 44 30.839 -1.315 1.429 1.00 10.00 O ATOM 715 CB VAL A 44 33.301 -3.494 0.492 1.00 10.00 C ATOM 716 CG1 VAL A 44 32.034 -4.358 0.531 1.00 10.00 C ATOM 717 CG2 VAL A 44 34.052 -3.811 -0.809 1.00 10.00 C ATOM 0 H VAL A 44 35.033 -1.874 0.994 1.00 10.00 H new ATOM 0 HA VAL A 44 32.560 -1.669 -0.325 1.00 10.00 H new ATOM 0 HB VAL A 44 33.926 -3.735 1.352 1.00 10.00 H new ATOM 0 HG11 VAL A 44 32.307 -5.409 0.436 1.00 10.00 H new ATOM 0 HG12 VAL A 44 31.516 -4.202 1.477 1.00 10.00 H new ATOM 0 HG13 VAL A 44 31.377 -4.078 -0.292 1.00 10.00 H new ATOM 0 HG21 VAL A 44 34.250 -4.881 -0.863 1.00 10.00 H new ATOM 0 HG22 VAL A 44 33.444 -3.511 -1.662 1.00 10.00 H new ATOM 0 HG23 VAL A 44 34.996 -3.266 -0.826 1.00 10.00 H new ATOM 727 N ALA A 45 32.362 -1.831 2.993 1.00 10.00 N ATOM 728 CA ALA A 45 31.490 -1.535 4.123 1.00 10.00 C ATOM 729 C ALA A 45 30.979 -0.092 4.050 1.00 10.00 C ATOM 730 O ALA A 45 29.778 0.149 4.164 1.00 10.00 O ATOM 731 CB ALA A 45 32.219 -1.812 5.441 1.00 10.00 C ATOM 0 H ALA A 45 33.291 -2.156 3.262 1.00 10.00 H new ATOM 0 HA ALA A 45 30.620 -2.190 4.079 1.00 10.00 H new ATOM 0 HB1 ALA A 45 31.557 -1.587 6.277 1.00 10.00 H new ATOM 0 HB2 ALA A 45 32.511 -2.861 5.482 1.00 10.00 H new ATOM 0 HB3 ALA A 45 33.108 -1.185 5.504 1.00 10.00 H new ATOM 737 N TYR A 46 31.885 0.865 3.828 1.00 10.00 N ATOM 738 CA TYR A 46 31.523 2.260 3.621 1.00 10.00 C ATOM 739 C TYR A 46 30.492 2.375 2.499 1.00 10.00 C ATOM 740 O TYR A 46 29.443 2.976 2.694 1.00 10.00 O ATOM 741 CB TYR A 46 32.771 3.100 3.319 1.00 10.00 C ATOM 742 CG TYR A 46 32.470 4.563 3.050 1.00 10.00 C ATOM 743 CD1 TYR A 46 32.097 4.985 1.758 1.00 10.00 C ATOM 744 CD2 TYR A 46 32.461 5.484 4.113 1.00 10.00 C ATOM 745 CE1 TYR A 46 31.681 6.309 1.540 1.00 10.00 C ATOM 746 CE2 TYR A 46 32.094 6.821 3.885 1.00 10.00 C ATOM 747 CZ TYR A 46 31.698 7.231 2.600 1.00 10.00 C ATOM 748 OH TYR A 46 31.323 8.523 2.383 1.00 10.00 O ATOM 0 H TYR A 46 32.889 0.689 3.788 1.00 10.00 H new ATOM 0 HA TYR A 46 31.074 2.649 4.535 1.00 10.00 H new ATOM 0 HB2 TYR A 46 33.459 3.028 4.161 1.00 10.00 H new ATOM 0 HB3 TYR A 46 33.282 2.678 2.453 1.00 10.00 H new ATOM 0 HD1 TYR A 46 32.131 4.289 0.933 1.00 10.00 H new ATOM 0 HD2 TYR A 46 32.737 5.163 5.107 1.00 10.00 H new ATOM 0 HE1 TYR A 46 31.349 6.617 0.560 1.00 10.00 H new ATOM 0 HE2 TYR A 46 32.116 7.533 4.697 1.00 10.00 H new ATOM 0 HH TYR A 46 31.391 9.028 3.220 1.00 10.00 H new ATOM 758 N ALA A 47 30.784 1.810 1.326 1.00 10.00 N ATOM 759 CA ALA A 47 29.896 1.853 0.175 1.00 10.00 C ATOM 760 C ALA A 47 28.514 1.291 0.519 1.00 10.00 C ATOM 761 O ALA A 47 27.508 1.904 0.172 1.00 10.00 O ATOM 762 CB ALA A 47 30.538 1.100 -0.993 1.00 10.00 C ATOM 0 H ALA A 47 31.654 1.306 1.152 1.00 10.00 H new ATOM 0 HA ALA A 47 29.747 2.891 -0.121 1.00 10.00 H new ATOM 0 HB1 ALA A 47 29.873 1.132 -1.856 1.00 10.00 H new ATOM 0 HB2 ALA A 47 31.488 1.568 -1.250 1.00 10.00 H new ATOM 0 HB3 ALA A 47 30.711 0.063 -0.706 1.00 10.00 H new ATOM 768 N LYS A 48 28.451 0.149 1.210 1.00 10.00 N ATOM 769 CA LYS A 48 27.193 -0.414 1.688 1.00 10.00 C ATOM 770 C LYS A 48 26.458 0.594 2.574 1.00 10.00 C ATOM 771 O LYS A 48 25.288 0.890 2.339 1.00 10.00 O ATOM 772 CB LYS A 48 27.438 -1.731 2.438 1.00 10.00 C ATOM 773 CG LYS A 48 27.825 -2.858 1.476 1.00 10.00 C ATOM 774 CD LYS A 48 28.143 -4.142 2.250 1.00 10.00 C ATOM 775 CE LYS A 48 28.471 -5.302 1.301 1.00 10.00 C ATOM 776 NZ LYS A 48 27.290 -5.743 0.537 1.00 10.00 N ATOM 0 H LYS A 48 29.271 -0.407 1.451 1.00 10.00 H new ATOM 0 HA LYS A 48 26.562 -0.632 0.826 1.00 10.00 H new ATOM 0 HB2 LYS A 48 28.230 -1.591 3.174 1.00 10.00 H new ATOM 0 HB3 LYS A 48 26.539 -2.012 2.987 1.00 10.00 H new ATOM 0 HG2 LYS A 48 27.010 -3.041 0.776 1.00 10.00 H new ATOM 0 HG3 LYS A 48 28.691 -2.559 0.886 1.00 10.00 H new ATOM 0 HD2 LYS A 48 28.987 -3.967 2.918 1.00 10.00 H new ATOM 0 HD3 LYS A 48 27.292 -4.411 2.876 1.00 10.00 H new ATOM 0 HE2 LYS A 48 29.255 -4.994 0.610 1.00 10.00 H new ATOM 0 HE3 LYS A 48 28.864 -6.140 1.876 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 27.520 -6.610 0.012 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 26.504 -5.933 1.191 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 27.011 -4.997 -0.132 1.00 10.00 H new ATOM 790 N LYS A 49 27.144 1.121 3.592 1.00 10.00 N ATOM 791 CA LYS A 49 26.578 2.082 4.527 1.00 10.00 C ATOM 792 C LYS A 49 25.993 3.280 3.775 1.00 10.00 C ATOM 793 O LYS A 49 24.830 3.640 3.958 1.00 10.00 O ATOM 794 CB LYS A 49 27.667 2.506 5.520 1.00 10.00 C ATOM 795 CG LYS A 49 27.086 3.240 6.730 1.00 10.00 C ATOM 796 CD LYS A 49 28.196 3.555 7.741 1.00 10.00 C ATOM 797 CE LYS A 49 27.667 4.344 8.945 1.00 10.00 C ATOM 798 NZ LYS A 49 26.698 3.564 9.736 1.00 10.00 N ATOM 0 H LYS A 49 28.117 0.886 3.787 1.00 10.00 H new ATOM 0 HA LYS A 49 25.759 1.626 5.083 1.00 10.00 H new ATOM 0 HB2 LYS A 49 28.212 1.625 5.858 1.00 10.00 H new ATOM 0 HB3 LYS A 49 28.386 3.151 5.016 1.00 10.00 H new ATOM 0 HG2 LYS A 49 26.605 4.163 6.408 1.00 10.00 H new ATOM 0 HG3 LYS A 49 26.317 2.628 7.202 1.00 10.00 H new ATOM 0 HD2 LYS A 49 28.647 2.625 8.087 1.00 10.00 H new ATOM 0 HD3 LYS A 49 28.983 4.127 7.249 1.00 10.00 H new ATOM 0 HE2 LYS A 49 28.502 4.637 9.582 1.00 10.00 H new ATOM 0 HE3 LYS A 49 27.194 5.262 8.597 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 26.456 4.087 10.602 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 25.837 3.408 9.174 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 27.116 2.647 9.991 1.00 10.00 H new ATOM 812 N VAL A 50 26.817 3.892 2.926 1.00 10.00 N ATOM 813 CA VAL A 50 26.440 5.033 2.108 1.00 10.00 C ATOM 814 C VAL A 50 25.239 4.677 1.227 1.00 10.00 C ATOM 815 O VAL A 50 24.245 5.398 1.258 1.00 10.00 O ATOM 816 CB VAL A 50 27.672 5.611 1.366 1.00 10.00 C ATOM 817 CG1 VAL A 50 27.472 5.904 -0.123 1.00 10.00 C ATOM 818 CG2 VAL A 50 28.119 6.912 2.043 1.00 10.00 C ATOM 0 H VAL A 50 27.784 3.599 2.788 1.00 10.00 H new ATOM 0 HA VAL A 50 26.096 5.855 2.735 1.00 10.00 H new ATOM 0 HB VAL A 50 28.422 4.822 1.428 1.00 10.00 H new ATOM 0 HG11 VAL A 50 28.395 6.304 -0.542 1.00 10.00 H new ATOM 0 HG12 VAL A 50 27.207 4.983 -0.643 1.00 10.00 H new ATOM 0 HG13 VAL A 50 26.671 6.633 -0.246 1.00 10.00 H new ATOM 0 HG21 VAL A 50 28.985 7.316 1.519 1.00 10.00 H new ATOM 0 HG22 VAL A 50 27.305 7.637 2.011 1.00 10.00 H new ATOM 0 HG23 VAL A 50 28.384 6.710 3.081 1.00 10.00 H new ATOM 828 N GLU A 51 25.282 3.569 0.478 1.00 10.00 N ATOM 829 CA GLU A 51 24.152 3.136 -0.329 1.00 10.00 C ATOM 830 C GLU A 51 22.890 3.033 0.529 1.00 10.00 C ATOM 831 O GLU A 51 21.840 3.533 0.133 1.00 10.00 O ATOM 832 CB GLU A 51 24.498 1.836 -1.069 1.00 10.00 C ATOM 833 CG GLU A 51 23.371 1.393 -2.019 1.00 10.00 C ATOM 834 CD GLU A 51 22.194 0.720 -1.312 1.00 10.00 C ATOM 835 OE1 GLU A 51 22.422 0.020 -0.302 1.00 10.00 O ATOM 836 OE2 GLU A 51 21.064 0.915 -1.805 1.00 10.00 O ATOM 0 H GLU A 51 26.096 2.957 0.419 1.00 10.00 H new ATOM 0 HA GLU A 51 23.938 3.881 -1.095 1.00 10.00 H new ATOM 0 HB2 GLU A 51 25.417 1.977 -1.638 1.00 10.00 H new ATOM 0 HB3 GLU A 51 24.691 1.046 -0.343 1.00 10.00 H new ATOM 0 HG2 GLU A 51 23.005 2.263 -2.564 1.00 10.00 H new ATOM 0 HG3 GLU A 51 23.781 0.704 -2.757 1.00 10.00 H new ATOM 843 N GLY A 52 22.991 2.402 1.701 1.00 10.00 N ATOM 844 CA GLY A 52 21.898 2.326 2.655 1.00 10.00 C ATOM 845 C GLY A 52 21.346 3.719 2.953 1.00 10.00 C ATOM 846 O GLY A 52 20.168 3.983 2.721 1.00 10.00 O ATOM 0 H GLY A 52 23.840 1.929 2.010 1.00 10.00 H new ATOM 0 HA2 GLY A 52 21.105 1.692 2.258 1.00 10.00 H new ATOM 0 HA3 GLY A 52 22.245 1.862 3.578 1.00 10.00 H new ATOM 850 N ASP A 53 22.204 4.617 3.447 1.00 10.00 N ATOM 851 CA ASP A 53 21.831 5.990 3.772 1.00 10.00 C ATOM 852 C ASP A 53 21.089 6.650 2.607 1.00 10.00 C ATOM 853 O ASP A 53 19.997 7.192 2.784 1.00 10.00 O ATOM 854 CB ASP A 53 23.075 6.798 4.155 1.00 10.00 C ATOM 855 CG ASP A 53 22.698 8.221 4.554 1.00 10.00 C ATOM 856 OD1 ASP A 53 22.410 8.414 5.754 1.00 10.00 O ATOM 857 OD2 ASP A 53 22.703 9.087 3.653 1.00 10.00 O ATOM 0 H ASP A 53 23.184 4.406 3.633 1.00 10.00 H new ATOM 0 HA ASP A 53 21.153 5.969 4.625 1.00 10.00 H new ATOM 0 HB2 ASP A 53 23.591 6.309 4.981 1.00 10.00 H new ATOM 0 HB3 ASP A 53 23.770 6.823 3.316 1.00 10.00 H new ATOM 862 N MET A 54 21.679 6.584 1.411 1.00 10.00 N ATOM 863 CA MET A 54 21.068 7.124 0.210 1.00 10.00 C ATOM 864 C MET A 54 19.703 6.495 -0.037 1.00 10.00 C ATOM 865 O MET A 54 18.762 7.207 -0.373 1.00 10.00 O ATOM 866 CB MET A 54 21.978 6.927 -1.005 1.00 10.00 C ATOM 867 CG MET A 54 23.286 7.717 -0.902 1.00 10.00 C ATOM 868 SD MET A 54 23.216 9.376 -0.183 1.00 10.00 S ATOM 869 CE MET A 54 24.944 9.789 -0.404 1.00 10.00 C ATOM 0 H MET A 54 22.591 6.155 1.256 1.00 10.00 H new ATOM 0 HA MET A 54 20.928 8.194 0.361 1.00 10.00 H new ATOM 0 HB2 MET A 54 22.207 5.867 -1.113 1.00 10.00 H new ATOM 0 HB3 MET A 54 21.445 7.232 -1.906 1.00 10.00 H new ATOM 0 HG2 MET A 54 23.988 7.126 -0.314 1.00 10.00 H new ATOM 0 HG3 MET A 54 23.704 7.804 -1.905 1.00 10.00 H new ATOM 0 HE1 MET A 54 25.048 10.867 -0.524 1.00 10.00 H new ATOM 0 HE2 MET A 54 25.510 9.465 0.469 1.00 10.00 H new ATOM 0 HE3 MET A 54 25.327 9.287 -1.292 1.00 10.00 H new ATOM 879 N TYR A 55 19.584 5.177 0.128 1.00 10.00 N ATOM 880 CA TYR A 55 18.322 4.485 -0.052 1.00 10.00 C ATOM 881 C TYR A 55 17.258 5.065 0.881 1.00 10.00 C ATOM 882 O TYR A 55 16.179 5.437 0.425 1.00 10.00 O ATOM 883 CB TYR A 55 18.494 2.971 0.128 1.00 10.00 C ATOM 884 CG TYR A 55 17.383 2.185 -0.532 1.00 10.00 C ATOM 885 CD1 TYR A 55 16.075 2.253 -0.017 1.00 10.00 C ATOM 886 CD2 TYR A 55 17.611 1.562 -1.773 1.00 10.00 C ATOM 887 CE1 TYR A 55 14.994 1.802 -0.788 1.00 10.00 C ATOM 888 CE2 TYR A 55 16.528 1.107 -2.537 1.00 10.00 C ATOM 889 CZ TYR A 55 15.220 1.336 -2.090 1.00 10.00 C ATOM 890 OH TYR A 55 14.183 1.176 -2.950 1.00 10.00 O ATOM 0 H TYR A 55 20.360 4.568 0.389 1.00 10.00 H new ATOM 0 HA TYR A 55 17.978 4.642 -1.074 1.00 10.00 H new ATOM 0 HB2 TYR A 55 19.452 2.664 -0.291 1.00 10.00 H new ATOM 0 HB3 TYR A 55 18.521 2.734 1.192 1.00 10.00 H new ATOM 0 HD1 TYR A 55 15.904 2.652 0.972 1.00 10.00 H new ATOM 0 HD2 TYR A 55 18.620 1.435 -2.136 1.00 10.00 H new ATOM 0 HE1 TYR A 55 13.994 1.814 -0.381 1.00 10.00 H new ATOM 0 HE2 TYR A 55 16.701 0.583 -3.465 1.00 10.00 H new ATOM 0 HH TYR A 55 14.251 1.837 -3.671 1.00 10.00 H new ATOM 900 N GLU A 56 17.546 5.149 2.185 1.00 10.00 N ATOM 901 CA GLU A 56 16.593 5.701 3.134 1.00 10.00 C ATOM 902 C GLU A 56 16.260 7.162 2.808 1.00 10.00 C ATOM 903 O GLU A 56 15.108 7.577 2.917 1.00 10.00 O ATOM 904 CB GLU A 56 17.128 5.561 4.561 1.00 10.00 C ATOM 905 CG GLU A 56 17.647 4.159 4.912 1.00 10.00 C ATOM 906 CD GLU A 56 16.777 3.023 4.382 1.00 10.00 C ATOM 907 OE1 GLU A 56 15.581 2.996 4.744 1.00 10.00 O ATOM 908 OE2 GLU A 56 17.324 2.192 3.625 1.00 10.00 O ATOM 0 H GLU A 56 18.427 4.842 2.598 1.00 10.00 H new ATOM 0 HA GLU A 56 15.665 5.134 3.055 1.00 10.00 H new ATOM 0 HB2 GLU A 56 17.935 6.280 4.705 1.00 10.00 H new ATOM 0 HB3 GLU A 56 16.335 5.827 5.260 1.00 10.00 H new ATOM 0 HG2 GLU A 56 18.655 4.046 4.514 1.00 10.00 H new ATOM 0 HG3 GLU A 56 17.720 4.071 5.996 1.00 10.00 H new ATOM 915 N SER A 57 17.271 7.946 2.429 1.00 10.00 N ATOM 916 CA SER A 57 17.106 9.356 2.102 1.00 10.00 C ATOM 917 C SER A 57 16.208 9.547 0.869 1.00 10.00 C ATOM 918 O SER A 57 15.288 10.363 0.870 1.00 10.00 O ATOM 919 CB SER A 57 18.496 9.973 1.890 1.00 10.00 C ATOM 920 OG SER A 57 18.407 11.373 1.711 1.00 10.00 O ATOM 0 H SER A 57 18.232 7.615 2.341 1.00 10.00 H new ATOM 0 HA SER A 57 16.606 9.865 2.926 1.00 10.00 H new ATOM 0 HB2 SER A 57 19.131 9.752 2.748 1.00 10.00 H new ATOM 0 HB3 SER A 57 18.970 9.521 1.019 1.00 10.00 H new ATOM 0 HG SER A 57 19.305 11.744 1.579 1.00 10.00 H new ATOM 926 N ALA A 58 16.495 8.809 -0.204 1.00 10.00 N ATOM 927 CA ALA A 58 15.897 9.012 -1.511 1.00 10.00 C ATOM 928 C ALA A 58 14.396 8.705 -1.536 1.00 10.00 C ATOM 929 O ALA A 58 13.964 7.553 -1.489 1.00 10.00 O ATOM 930 CB ALA A 58 16.648 8.175 -2.541 1.00 10.00 C ATOM 0 H ALA A 58 17.164 8.039 -0.182 1.00 10.00 H new ATOM 0 HA ALA A 58 15.986 10.070 -1.759 1.00 10.00 H new ATOM 0 HB1 ALA A 58 16.203 8.324 -3.525 1.00 10.00 H new ATOM 0 HB2 ALA A 58 17.694 8.481 -2.566 1.00 10.00 H new ATOM 0 HB3 ALA A 58 16.585 7.121 -2.270 1.00 10.00 H new ATOM 936 N ASN A 59 13.590 9.752 -1.713 1.00 10.00 N ATOM 937 CA ASN A 59 12.159 9.633 -1.964 1.00 10.00 C ATOM 938 C ASN A 59 11.848 8.753 -3.177 1.00 10.00 C ATOM 939 O ASN A 59 10.792 8.122 -3.218 1.00 10.00 O ATOM 940 CB ASN A 59 11.540 11.023 -2.161 1.00 10.00 C ATOM 941 CG ASN A 59 12.223 11.809 -3.278 1.00 10.00 C ATOM 942 OD1 ASN A 59 13.206 12.495 -3.026 1.00 10.00 O ATOM 943 ND2 ASN A 59 11.753 11.706 -4.518 1.00 10.00 N ATOM 0 H ASN A 59 13.919 10.717 -1.685 1.00 10.00 H new ATOM 0 HA ASN A 59 11.721 9.151 -1.090 1.00 10.00 H new ATOM 0 HB2 ASN A 59 10.480 10.917 -2.390 1.00 10.00 H new ATOM 0 HB3 ASN A 59 11.610 11.585 -1.229 1.00 10.00 H new ATOM 0 HD21 ASN A 59 12.213 12.204 -5.281 1.00 10.00 H new ATOM 0 HD22 ASN A 59 10.933 11.129 -4.706 1.00 10.00 H new ATOM 950 N SER A 60 12.706 8.747 -4.203 1.00 10.00 N ATOM 951 CA SER A 60 12.402 8.114 -5.478 1.00 10.00 C ATOM 952 C SER A 60 13.691 7.717 -6.202 1.00 10.00 C ATOM 953 O SER A 60 14.741 8.319 -5.979 1.00 10.00 O ATOM 954 CB SER A 60 11.525 9.054 -6.316 1.00 10.00 C ATOM 955 OG SER A 60 10.407 9.498 -5.562 1.00 10.00 O ATOM 0 H SER A 60 13.628 9.182 -4.167 1.00 10.00 H new ATOM 0 HA SER A 60 11.842 7.194 -5.311 1.00 10.00 H new ATOM 0 HB2 SER A 60 12.112 9.911 -6.645 1.00 10.00 H new ATOM 0 HB3 SER A 60 11.184 8.538 -7.213 1.00 10.00 H new ATOM 0 HG SER A 60 9.859 10.097 -6.111 1.00 10.00 H new ATOM 961 N ARG A 61 13.599 6.704 -7.070 1.00 10.00 N ATOM 962 CA ARG A 61 14.715 6.118 -7.810 1.00 10.00 C ATOM 963 C ARG A 61 15.590 7.177 -8.489 1.00 10.00 C ATOM 964 O ARG A 61 16.815 7.120 -8.423 1.00 10.00 O ATOM 965 CB ARG A 61 14.147 5.124 -8.829 1.00 10.00 C ATOM 966 CG ARG A 61 15.239 4.419 -9.643 1.00 10.00 C ATOM 967 CD ARG A 61 14.602 3.289 -10.448 1.00 10.00 C ATOM 968 NE ARG A 61 15.598 2.577 -11.265 1.00 10.00 N ATOM 969 CZ ARG A 61 15.696 1.247 -11.433 1.00 10.00 C ATOM 970 NH1 ARG A 61 14.932 0.396 -10.741 1.00 10.00 N ATOM 971 NH2 ARG A 61 16.576 0.775 -12.317 1.00 10.00 N ATOM 0 H ARG A 61 12.709 6.254 -7.283 1.00 10.00 H new ATOM 0 HA ARG A 61 15.371 5.601 -7.109 1.00 10.00 H new ATOM 0 HB2 ARG A 61 13.550 4.377 -8.307 1.00 10.00 H new ATOM 0 HB3 ARG A 61 13.476 5.650 -9.508 1.00 10.00 H new ATOM 0 HG2 ARG A 61 15.729 5.128 -10.310 1.00 10.00 H new ATOM 0 HG3 ARG A 61 16.008 4.023 -8.979 1.00 10.00 H new ATOM 0 HD2 ARG A 61 14.118 2.586 -9.770 1.00 10.00 H new ATOM 0 HD3 ARG A 61 13.824 3.696 -11.094 1.00 10.00 H new ATOM 0 HE ARG A 61 16.284 3.152 -11.754 1.00 10.00 H new ATOM 0 HH11 ARG A 61 14.255 0.752 -10.066 1.00 10.00 H new ATOM 0 HH12 ARG A 61 15.026 -0.609 -10.888 1.00 10.00 H new ATOM 0 HH21 ARG A 61 17.159 1.420 -12.850 1.00 10.00 H new ATOM 0 HH22 ARG A 61 16.666 -0.231 -12.460 1.00 10.00 H new ATOM 985 N ASP A 62 14.957 8.150 -9.144 1.00 10.00 N ATOM 986 CA ASP A 62 15.633 9.299 -9.730 1.00 10.00 C ATOM 987 C ASP A 62 16.532 10.000 -8.704 1.00 10.00 C ATOM 988 O ASP A 62 17.705 10.252 -8.978 1.00 10.00 O ATOM 989 CB ASP A 62 14.589 10.257 -10.322 1.00 10.00 C ATOM 990 CG ASP A 62 13.487 10.610 -9.327 1.00 10.00 C ATOM 991 OD1 ASP A 62 12.636 9.721 -9.105 1.00 10.00 O ATOM 992 OD2 ASP A 62 13.535 11.730 -8.776 1.00 10.00 O ATOM 0 H ASP A 62 13.946 8.159 -9.282 1.00 10.00 H new ATOM 0 HA ASP A 62 16.286 8.957 -10.533 1.00 10.00 H new ATOM 0 HB2 ASP A 62 15.084 11.171 -10.650 1.00 10.00 H new ATOM 0 HB3 ASP A 62 14.143 9.802 -11.206 1.00 10.00 H new ATOM 997 N GLU A 63 15.996 10.292 -7.514 1.00 10.00 N ATOM 998 CA GLU A 63 16.761 10.939 -6.462 1.00 10.00 C ATOM 999 C GLU A 63 17.899 10.011 -6.047 1.00 10.00 C ATOM 1000 O GLU A 63 19.044 10.436 -5.973 1.00 10.00 O ATOM 1001 CB GLU A 63 15.851 11.323 -5.281 1.00 10.00 C ATOM 1002 CG GLU A 63 16.587 12.124 -4.196 1.00 10.00 C ATOM 1003 CD GLU A 63 17.223 13.402 -4.737 1.00 10.00 C ATOM 1004 OE1 GLU A 63 16.448 14.304 -5.120 1.00 10.00 O ATOM 1005 OE2 GLU A 63 18.472 13.447 -4.772 1.00 10.00 O ATOM 0 H GLU A 63 15.029 10.086 -7.262 1.00 10.00 H new ATOM 0 HA GLU A 63 17.192 11.871 -6.827 1.00 10.00 H new ATOM 0 HB2 GLU A 63 15.011 11.910 -5.652 1.00 10.00 H new ATOM 0 HB3 GLU A 63 15.436 10.417 -4.839 1.00 10.00 H new ATOM 0 HG2 GLU A 63 15.887 12.380 -3.401 1.00 10.00 H new ATOM 0 HG3 GLU A 63 17.360 11.499 -3.750 1.00 10.00 H new ATOM 1012 N TYR A 64 17.591 8.737 -5.803 1.00 10.00 N ATOM 1013 CA TYR A 64 18.579 7.734 -5.428 1.00 10.00 C ATOM 1014 C TYR A 64 19.772 7.717 -6.392 1.00 10.00 C ATOM 1015 O TYR A 64 20.921 7.822 -5.966 1.00 10.00 O ATOM 1016 CB TYR A 64 17.884 6.378 -5.336 1.00 10.00 C ATOM 1017 CG TYR A 64 18.799 5.197 -5.132 1.00 10.00 C ATOM 1018 CD1 TYR A 64 19.380 4.960 -3.872 1.00 10.00 C ATOM 1019 CD2 TYR A 64 18.915 4.238 -6.153 1.00 10.00 C ATOM 1020 CE1 TYR A 64 19.998 3.727 -3.607 1.00 10.00 C ATOM 1021 CE2 TYR A 64 19.550 3.017 -5.893 1.00 10.00 C ATOM 1022 CZ TYR A 64 20.083 2.757 -4.622 1.00 10.00 C ATOM 1023 OH TYR A 64 20.674 1.555 -4.387 1.00 10.00 O ATOM 0 H TYR A 64 16.640 8.373 -5.861 1.00 10.00 H new ATOM 0 HA TYR A 64 18.999 7.983 -4.453 1.00 10.00 H new ATOM 0 HB2 TYR A 64 17.170 6.409 -4.513 1.00 10.00 H new ATOM 0 HB3 TYR A 64 17.311 6.219 -6.250 1.00 10.00 H new ATOM 0 HD1 TYR A 64 19.351 5.725 -3.110 1.00 10.00 H new ATOM 0 HD2 TYR A 64 18.516 4.442 -7.135 1.00 10.00 H new ATOM 0 HE1 TYR A 64 20.406 3.524 -2.628 1.00 10.00 H new ATOM 0 HE2 TYR A 64 19.629 2.274 -6.673 1.00 10.00 H new ATOM 0 HH TYR A 64 20.784 1.428 -3.422 1.00 10.00 H new ATOM 1033 N TYR A 65 19.513 7.608 -7.696 1.00 10.00 N ATOM 1034 CA TYR A 65 20.575 7.713 -8.686 1.00 10.00 C ATOM 1035 C TYR A 65 21.309 9.052 -8.540 1.00 10.00 C ATOM 1036 O TYR A 65 22.538 9.070 -8.442 1.00 10.00 O ATOM 1037 CB TYR A 65 20.020 7.498 -10.101 1.00 10.00 C ATOM 1038 CG TYR A 65 20.152 6.068 -10.595 1.00 10.00 C ATOM 1039 CD1 TYR A 65 19.137 5.120 -10.361 1.00 10.00 C ATOM 1040 CD2 TYR A 65 21.324 5.677 -11.266 1.00 10.00 C ATOM 1041 CE1 TYR A 65 19.281 3.800 -10.832 1.00 10.00 C ATOM 1042 CE2 TYR A 65 21.459 4.367 -11.755 1.00 10.00 C ATOM 1043 CZ TYR A 65 20.437 3.430 -11.544 1.00 10.00 C ATOM 1044 OH TYR A 65 20.597 2.154 -12.001 1.00 10.00 O ATOM 0 H TYR A 65 18.584 7.448 -8.085 1.00 10.00 H new ATOM 0 HA TYR A 65 21.306 6.924 -8.511 1.00 10.00 H new ATOM 0 HB2 TYR A 65 18.968 7.783 -10.117 1.00 10.00 H new ATOM 0 HB3 TYR A 65 20.541 8.162 -10.791 1.00 10.00 H new ATOM 0 HD1 TYR A 65 18.247 5.405 -9.820 1.00 10.00 H new ATOM 0 HD2 TYR A 65 22.125 6.388 -11.406 1.00 10.00 H new ATOM 0 HE1 TYR A 65 18.505 3.073 -10.647 1.00 10.00 H new ATOM 0 HE2 TYR A 65 22.350 4.081 -12.294 1.00 10.00 H new ATOM 0 HH TYR A 65 19.810 1.620 -11.764 1.00 10.00 H new ATOM 1054 N HIS A 66 20.567 10.165 -8.509 1.00 10.00 N ATOM 1055 CA HIS A 66 21.154 11.496 -8.406 1.00 10.00 C ATOM 1056 C HIS A 66 22.105 11.627 -7.211 1.00 10.00 C ATOM 1057 O HIS A 66 23.290 11.890 -7.405 1.00 10.00 O ATOM 1058 CB HIS A 66 20.069 12.577 -8.372 1.00 10.00 C ATOM 1059 CG HIS A 66 20.657 13.961 -8.274 1.00 10.00 C ATOM 1060 ND1 HIS A 66 21.232 14.659 -9.335 1.00 10.00 N ATOM 1061 CD2 HIS A 66 20.830 14.668 -7.118 1.00 10.00 C ATOM 1062 CE1 HIS A 66 21.725 15.784 -8.797 1.00 10.00 C ATOM 1063 NE2 HIS A 66 21.500 15.817 -7.471 1.00 10.00 N ATOM 0 H HIS A 66 19.548 10.164 -8.555 1.00 10.00 H new ATOM 0 HA HIS A 66 21.755 11.645 -9.303 1.00 10.00 H new ATOM 0 HB2 HIS A 66 19.457 12.505 -9.271 1.00 10.00 H new ATOM 0 HB3 HIS A 66 19.409 12.402 -7.522 1.00 10.00 H new ATOM 0 HD2 HIS A 66 20.507 14.383 -6.128 1.00 10.00 H new ATOM 0 HE1 HIS A 66 22.233 16.558 -9.352 1.00 10.00 H new ATOM 0 HE2 HIS A 66 21.778 16.565 -6.836 1.00 10.00 H new ATOM 1071 N LEU A 67 21.612 11.483 -5.975 1.00 10.00 N ATOM 1072 CA LEU A 67 22.455 11.707 -4.806 1.00 10.00 C ATOM 1073 C LEU A 67 23.597 10.688 -4.699 1.00 10.00 C ATOM 1074 O LEU A 67 24.672 11.045 -4.218 1.00 10.00 O ATOM 1075 CB LEU A 67 21.686 11.995 -3.496 1.00 10.00 C ATOM 1076 CG LEU A 67 20.497 11.101 -3.114 1.00 10.00 C ATOM 1077 CD1 LEU A 67 20.876 9.627 -3.114 1.00 10.00 C ATOM 1078 CD2 LEU A 67 19.956 11.469 -1.728 1.00 10.00 C ATOM 0 H LEU A 67 20.650 11.217 -5.765 1.00 10.00 H new ATOM 0 HA LEU A 67 22.955 12.660 -4.980 1.00 10.00 H new ATOM 0 HB2 LEU A 67 22.405 11.953 -2.678 1.00 10.00 H new ATOM 0 HB3 LEU A 67 21.322 13.021 -3.548 1.00 10.00 H new ATOM 0 HG LEU A 67 19.727 11.269 -3.867 1.00 10.00 H new ATOM 0 HD11 LEU A 67 20.008 9.028 -2.839 1.00 10.00 H new ATOM 0 HD12 LEU A 67 21.215 9.339 -4.109 1.00 10.00 H new ATOM 0 HD13 LEU A 67 21.677 9.457 -2.394 1.00 10.00 H new ATOM 0 HD21 LEU A 67 19.115 10.821 -1.482 1.00 10.00 H new ATOM 0 HD22 LEU A 67 20.743 11.340 -0.984 1.00 10.00 H new ATOM 0 HD23 LEU A 67 19.625 12.508 -1.730 1.00 10.00 H new ATOM 1090 N LEU A 68 23.433 9.456 -5.200 1.00 10.00 N ATOM 1091 CA LEU A 68 24.561 8.531 -5.287 1.00 10.00 C ATOM 1092 C LEU A 68 25.621 9.069 -6.247 1.00 10.00 C ATOM 1093 O LEU A 68 26.784 9.205 -5.866 1.00 10.00 O ATOM 1094 CB LEU A 68 24.119 7.121 -5.704 1.00 10.00 C ATOM 1095 CG LEU A 68 23.549 6.326 -4.521 1.00 10.00 C ATOM 1096 CD1 LEU A 68 22.821 5.080 -5.026 1.00 10.00 C ATOM 1097 CD2 LEU A 68 24.655 5.835 -3.577 1.00 10.00 C ATOM 0 H LEU A 68 22.547 9.086 -5.544 1.00 10.00 H new ATOM 0 HA LEU A 68 24.995 8.452 -4.290 1.00 10.00 H new ATOM 0 HB2 LEU A 68 23.366 7.194 -6.489 1.00 10.00 H new ATOM 0 HB3 LEU A 68 24.969 6.584 -6.126 1.00 10.00 H new ATOM 0 HG LEU A 68 22.876 7.000 -3.990 1.00 10.00 H new ATOM 0 HD11 LEU A 68 22.421 4.524 -4.178 1.00 10.00 H new ATOM 0 HD12 LEU A 68 22.004 5.377 -5.683 1.00 10.00 H new ATOM 0 HD13 LEU A 68 23.519 4.449 -5.577 1.00 10.00 H new ATOM 0 HD21 LEU A 68 24.209 5.277 -2.753 1.00 10.00 H new ATOM 0 HD22 LEU A 68 25.340 5.188 -4.125 1.00 10.00 H new ATOM 0 HD23 LEU A 68 25.202 6.691 -3.181 1.00 10.00 H new ATOM 1109 N ALA A 69 25.233 9.382 -7.486 1.00 10.00 N ATOM 1110 CA ALA A 69 26.158 9.939 -8.464 1.00 10.00 C ATOM 1111 C ALA A 69 26.848 11.180 -7.894 1.00 10.00 C ATOM 1112 O ALA A 69 28.067 11.296 -7.974 1.00 10.00 O ATOM 1113 CB ALA A 69 25.416 10.245 -9.767 1.00 10.00 C ATOM 0 H ALA A 69 24.282 9.257 -7.832 1.00 10.00 H new ATOM 0 HA ALA A 69 26.935 9.208 -8.688 1.00 10.00 H new ATOM 0 HB1 ALA A 69 26.114 10.661 -10.494 1.00 10.00 H new ATOM 0 HB2 ALA A 69 24.984 9.326 -10.164 1.00 10.00 H new ATOM 0 HB3 ALA A 69 24.622 10.966 -9.573 1.00 10.00 H new ATOM 1119 N GLU A 70 26.087 12.089 -7.279 1.00 10.00 N ATOM 1120 CA GLU A 70 26.629 13.268 -6.627 1.00 10.00 C ATOM 1121 C GLU A 70 27.649 12.877 -5.555 1.00 10.00 C ATOM 1122 O GLU A 70 28.730 13.455 -5.496 1.00 10.00 O ATOM 1123 CB GLU A 70 25.482 14.096 -6.036 1.00 10.00 C ATOM 1124 CG GLU A 70 25.949 15.426 -5.431 1.00 10.00 C ATOM 1125 CD GLU A 70 26.582 16.347 -6.469 1.00 10.00 C ATOM 1126 OE1 GLU A 70 25.804 16.952 -7.237 1.00 10.00 O ATOM 1127 OE2 GLU A 70 27.830 16.423 -6.479 1.00 10.00 O ATOM 0 H GLU A 70 25.071 12.020 -7.223 1.00 10.00 H new ATOM 0 HA GLU A 70 27.154 13.877 -7.363 1.00 10.00 H new ATOM 0 HB2 GLU A 70 24.747 14.297 -6.816 1.00 10.00 H new ATOM 0 HB3 GLU A 70 24.978 13.511 -5.267 1.00 10.00 H new ATOM 0 HG2 GLU A 70 25.099 15.931 -4.971 1.00 10.00 H new ATOM 0 HG3 GLU A 70 26.670 15.228 -4.638 1.00 10.00 H new ATOM 1134 N LYS A 71 27.323 11.915 -4.689 1.00 10.00 N ATOM 1135 CA LYS A 71 28.246 11.481 -3.655 1.00 10.00 C ATOM 1136 C LYS A 71 29.546 10.969 -4.277 1.00 10.00 C ATOM 1137 O LYS A 71 30.622 11.381 -3.852 1.00 10.00 O ATOM 1138 CB LYS A 71 27.562 10.455 -2.749 1.00 10.00 C ATOM 1139 CG LYS A 71 28.408 9.981 -1.561 1.00 10.00 C ATOM 1140 CD LYS A 71 28.828 11.136 -0.649 1.00 10.00 C ATOM 1141 CE LYS A 71 29.438 10.623 0.659 1.00 10.00 C ATOM 1142 NZ LYS A 71 29.831 11.737 1.539 1.00 10.00 N ATOM 0 H LYS A 71 26.427 11.427 -4.688 1.00 10.00 H new ATOM 0 HA LYS A 71 28.524 12.326 -3.025 1.00 10.00 H new ATOM 0 HB2 LYS A 71 26.636 10.887 -2.368 1.00 10.00 H new ATOM 0 HB3 LYS A 71 27.286 9.588 -3.349 1.00 10.00 H new ATOM 0 HG2 LYS A 71 27.841 9.252 -0.982 1.00 10.00 H new ATOM 0 HG3 LYS A 71 29.298 9.472 -1.932 1.00 10.00 H new ATOM 0 HD2 LYS A 71 29.551 11.766 -1.167 1.00 10.00 H new ATOM 0 HD3 LYS A 71 27.962 11.760 -0.428 1.00 10.00 H new ATOM 0 HE2 LYS A 71 28.718 9.987 1.174 1.00 10.00 H new ATOM 0 HE3 LYS A 71 30.309 10.006 0.439 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 30.241 11.358 2.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 30.536 12.329 1.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 28.994 12.311 1.767 1.00 10.00 H new ATOM 1156 N ILE A 72 29.463 10.107 -5.296 1.00 10.00 N ATOM 1157 CA ILE A 72 30.648 9.669 -6.032 1.00 10.00 C ATOM 1158 C ILE A 72 31.433 10.888 -6.520 1.00 10.00 C ATOM 1159 O ILE A 72 32.636 10.989 -6.288 1.00 10.00 O ATOM 1160 CB ILE A 72 30.261 8.778 -7.226 1.00 10.00 C ATOM 1161 CG1 ILE A 72 29.624 7.461 -6.774 1.00 10.00 C ATOM 1162 CG2 ILE A 72 31.484 8.504 -8.109 1.00 10.00 C ATOM 1163 CD1 ILE A 72 29.129 6.653 -7.975 1.00 10.00 C ATOM 0 H ILE A 72 28.588 9.701 -5.627 1.00 10.00 H new ATOM 0 HA ILE A 72 31.272 9.080 -5.360 1.00 10.00 H new ATOM 0 HB ILE A 72 29.516 9.319 -7.809 1.00 10.00 H new ATOM 0 HG12 ILE A 72 30.351 6.875 -6.211 1.00 10.00 H new ATOM 0 HG13 ILE A 72 28.791 7.667 -6.101 1.00 10.00 H new ATOM 0 HG21 ILE A 72 31.193 7.873 -8.948 1.00 10.00 H new ATOM 0 HG22 ILE A 72 31.880 9.447 -8.485 1.00 10.00 H new ATOM 0 HG23 ILE A 72 32.250 7.997 -7.522 1.00 10.00 H new ATOM 0 HD11 ILE A 72 28.681 5.722 -7.627 1.00 10.00 H new ATOM 0 HD12 ILE A 72 28.385 7.232 -8.521 1.00 10.00 H new ATOM 0 HD13 ILE A 72 29.968 6.428 -8.633 1.00 10.00 H new ATOM 1175 N TYR A 73 30.747 11.782 -7.234 1.00 10.00 N ATOM 1176 CA TYR A 73 31.304 12.989 -7.825 1.00 10.00 C ATOM 1177 C TYR A 73 32.107 13.748 -6.769 1.00 10.00 C ATOM 1178 O TYR A 73 33.280 14.052 -6.978 1.00 10.00 O ATOM 1179 CB TYR A 73 30.148 13.796 -8.431 1.00 10.00 C ATOM 1180 CG TYR A 73 30.446 14.832 -9.493 1.00 10.00 C ATOM 1181 CD1 TYR A 73 31.397 15.843 -9.269 1.00 10.00 C ATOM 1182 CD2 TYR A 73 29.561 14.947 -10.582 1.00 10.00 C ATOM 1183 CE1 TYR A 73 31.397 17.002 -10.061 1.00 10.00 C ATOM 1184 CE2 TYR A 73 29.553 16.107 -11.366 1.00 10.00 C ATOM 1185 CZ TYR A 73 30.424 17.166 -11.062 1.00 10.00 C ATOM 1186 OH TYR A 73 30.378 18.315 -11.792 1.00 10.00 O ATOM 0 H TYR A 73 29.750 11.676 -7.421 1.00 10.00 H new ATOM 0 HA TYR A 73 32.004 12.768 -8.630 1.00 10.00 H new ATOM 0 HB2 TYR A 73 29.440 13.085 -8.856 1.00 10.00 H new ATOM 0 HB3 TYR A 73 29.638 14.303 -7.612 1.00 10.00 H new ATOM 0 HD1 TYR A 73 32.130 15.727 -8.485 1.00 10.00 H new ATOM 0 HD2 TYR A 73 28.885 14.137 -10.814 1.00 10.00 H new ATOM 0 HE1 TYR A 73 32.143 17.766 -9.901 1.00 10.00 H new ATOM 0 HE2 TYR A 73 28.877 16.187 -12.204 1.00 10.00 H new ATOM 0 HH TYR A 73 29.646 18.261 -12.441 1.00 10.00 H new ATOM 1196 N LYS A 74 31.483 14.016 -5.621 1.00 10.00 N ATOM 1197 CA LYS A 74 32.148 14.619 -4.480 1.00 10.00 C ATOM 1198 C LYS A 74 33.361 13.808 -4.036 1.00 10.00 C ATOM 1199 O LYS A 74 34.450 14.367 -4.019 1.00 10.00 O ATOM 1200 CB LYS A 74 31.174 14.818 -3.316 1.00 10.00 C ATOM 1201 CG LYS A 74 30.222 15.978 -3.617 1.00 10.00 C ATOM 1202 CD LYS A 74 29.314 16.313 -2.427 1.00 10.00 C ATOM 1203 CE LYS A 74 30.120 16.770 -1.203 1.00 10.00 C ATOM 1204 NZ LYS A 74 29.244 17.349 -0.169 1.00 10.00 N ATOM 0 H LYS A 74 30.495 13.817 -5.462 1.00 10.00 H new ATOM 0 HA LYS A 74 32.506 15.598 -4.798 1.00 10.00 H new ATOM 0 HB2 LYS A 74 30.604 13.904 -3.149 1.00 10.00 H new ATOM 0 HB3 LYS A 74 31.728 15.021 -2.399 1.00 10.00 H new ATOM 0 HG2 LYS A 74 30.802 16.860 -3.887 1.00 10.00 H new ATOM 0 HG3 LYS A 74 29.607 15.725 -4.480 1.00 10.00 H new ATOM 0 HD2 LYS A 74 28.614 17.097 -2.714 1.00 10.00 H new ATOM 0 HD3 LYS A 74 28.721 15.437 -2.165 1.00 10.00 H new ATOM 0 HE2 LYS A 74 30.665 15.923 -0.787 1.00 10.00 H new ATOM 0 HE3 LYS A 74 30.862 17.508 -1.509 1.00 10.00 H new ATOM 0 HZ1 LYS A 74 29.818 17.648 0.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 74 28.742 18.172 -0.560 1.00 10.00 H new ATOM 0 HZ3 LYS A 74 28.552 16.636 0.139 1.00 10.00 H new ATOM 1218 N ILE A 75 33.205 12.530 -3.671 1.00 10.00 N ATOM 1219 CA ILE A 75 34.329 11.698 -3.234 1.00 10.00 C ATOM 1220 C ILE A 75 35.490 11.872 -4.208 1.00 10.00 C ATOM 1221 O ILE A 75 36.565 12.297 -3.797 1.00 10.00 O ATOM 1222 CB ILE A 75 33.917 10.225 -3.055 1.00 10.00 C ATOM 1223 CG1 ILE A 75 32.903 10.106 -1.899 1.00 10.00 C ATOM 1224 CG2 ILE A 75 35.166 9.398 -2.709 1.00 10.00 C ATOM 1225 CD1 ILE A 75 32.246 8.723 -1.832 1.00 10.00 C ATOM 0 H ILE A 75 32.306 12.049 -3.670 1.00 10.00 H new ATOM 0 HA ILE A 75 34.658 12.028 -2.248 1.00 10.00 H new ATOM 0 HB ILE A 75 33.464 9.859 -3.976 1.00 10.00 H new ATOM 0 HG12 ILE A 75 33.408 10.310 -0.955 1.00 10.00 H new ATOM 0 HG13 ILE A 75 32.131 10.866 -2.018 1.00 10.00 H new ATOM 0 HG21 ILE A 75 34.886 8.353 -2.580 1.00 10.00 H new ATOM 0 HG22 ILE A 75 35.893 9.482 -3.517 1.00 10.00 H new ATOM 0 HG23 ILE A 75 35.606 9.773 -1.785 1.00 10.00 H new ATOM 0 HD11 ILE A 75 31.542 8.695 -1.001 1.00 10.00 H new ATOM 0 HD12 ILE A 75 31.716 8.527 -2.764 1.00 10.00 H new ATOM 0 HD13 ILE A 75 33.013 7.963 -1.684 1.00 10.00 H new ATOM 1237 N GLN A 76 35.266 11.605 -5.495 1.00 10.00 N ATOM 1238 CA GLN A 76 36.284 11.815 -6.507 1.00 10.00 C ATOM 1239 C GLN A 76 36.860 13.228 -6.436 1.00 10.00 C ATOM 1240 O GLN A 76 38.064 13.358 -6.294 1.00 10.00 O ATOM 1241 CB GLN A 76 35.739 11.503 -7.903 1.00 10.00 C ATOM 1242 CG GLN A 76 35.887 10.013 -8.255 1.00 10.00 C ATOM 1243 CD GLN A 76 37.352 9.605 -8.446 1.00 10.00 C ATOM 1244 OE1 GLN A 76 38.241 10.446 -8.561 1.00 10.00 O ATOM 1245 NE2 GLN A 76 37.638 8.313 -8.534 1.00 10.00 N ATOM 0 H GLN A 76 34.383 11.242 -5.855 1.00 10.00 H new ATOM 0 HA GLN A 76 37.101 11.123 -6.305 1.00 10.00 H new ATOM 0 HB2 GLN A 76 34.688 11.786 -7.954 1.00 10.00 H new ATOM 0 HB3 GLN A 76 36.267 12.105 -8.642 1.00 10.00 H new ATOM 0 HG2 GLN A 76 35.444 9.409 -7.463 1.00 10.00 H new ATOM 0 HG3 GLN A 76 35.331 9.800 -9.168 1.00 10.00 H new ATOM 0 HE21 GLN A 76 36.897 7.619 -8.438 1.00 10.00 H new ATOM 0 HE22 GLN A 76 38.599 8.013 -8.698 1.00 10.00 H new ATOM 1254 N LYS A 77 36.054 14.286 -6.530 1.00 10.00 N ATOM 1255 CA LYS A 77 36.572 15.653 -6.538 1.00 10.00 C ATOM 1256 C LYS A 77 37.424 15.961 -5.301 1.00 10.00 C ATOM 1257 O LYS A 77 38.584 16.360 -5.409 1.00 10.00 O ATOM 1258 CB LYS A 77 35.409 16.650 -6.662 1.00 10.00 C ATOM 1259 CG LYS A 77 34.858 16.780 -8.086 1.00 10.00 C ATOM 1260 CD LYS A 77 35.580 17.821 -8.959 1.00 10.00 C ATOM 1261 CE LYS A 77 37.039 17.468 -9.270 1.00 10.00 C ATOM 1262 NZ LYS A 77 37.601 18.329 -10.325 1.00 10.00 N ATOM 0 H LYS A 77 35.039 14.222 -6.602 1.00 10.00 H new ATOM 0 HA LYS A 77 37.228 15.754 -7.402 1.00 10.00 H new ATOM 0 HB2 LYS A 77 34.603 16.339 -5.997 1.00 10.00 H new ATOM 0 HB3 LYS A 77 35.744 17.630 -6.321 1.00 10.00 H new ATOM 0 HG2 LYS A 77 34.920 15.808 -8.576 1.00 10.00 H new ATOM 0 HG3 LYS A 77 33.801 17.042 -8.030 1.00 10.00 H new ATOM 0 HD2 LYS A 77 35.036 17.934 -9.897 1.00 10.00 H new ATOM 0 HD3 LYS A 77 35.550 18.787 -8.455 1.00 10.00 H new ATOM 0 HE2 LYS A 77 37.637 17.567 -8.364 1.00 10.00 H new ATOM 0 HE3 LYS A 77 37.102 16.425 -9.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 77 38.589 18.058 -10.505 1.00 10.00 H new ATOM 0 HZ2 LYS A 77 37.046 18.216 -11.197 1.00 10.00 H new ATOM 0 HZ3 LYS A 77 37.565 19.322 -10.018 1.00 10.00 H new ATOM 1276 N GLU A 78 36.828 15.784 -4.126 1.00 10.00 N ATOM 1277 CA GLU A 78 37.437 16.036 -2.832 1.00 10.00 C ATOM 1278 C GLU A 78 38.760 15.262 -2.727 1.00 10.00 C ATOM 1279 O GLU A 78 39.795 15.815 -2.359 1.00 10.00 O ATOM 1280 CB GLU A 78 36.445 15.619 -1.731 1.00 10.00 C ATOM 1281 CG GLU A 78 35.100 16.383 -1.768 1.00 10.00 C ATOM 1282 CD GLU A 78 34.041 15.746 -0.870 1.00 10.00 C ATOM 1283 OE1 GLU A 78 33.954 14.498 -0.864 1.00 10.00 O ATOM 1284 OE2 GLU A 78 33.316 16.524 -0.212 1.00 10.00 O ATOM 0 H GLU A 78 35.868 15.447 -4.050 1.00 10.00 H new ATOM 0 HA GLU A 78 37.663 17.095 -2.712 1.00 10.00 H new ATOM 0 HB2 GLU A 78 36.246 14.551 -1.822 1.00 10.00 H new ATOM 0 HB3 GLU A 78 36.912 15.775 -0.759 1.00 10.00 H new ATOM 0 HG2 GLU A 78 35.263 17.415 -1.457 1.00 10.00 H new ATOM 0 HG3 GLU A 78 34.731 16.414 -2.793 1.00 10.00 H new ATOM 1490 N GLU B 89 35.873 18.069 -17.299 1.00 10.00 N ATOM 1491 CA GLU B 89 34.877 17.649 -18.284 1.00 10.00 C ATOM 1492 C GLU B 89 34.704 16.136 -18.447 1.00 10.00 C ATOM 1493 O GLU B 89 33.744 15.560 -17.943 1.00 10.00 O ATOM 1494 CB GLU B 89 35.214 18.331 -19.617 1.00 10.00 C ATOM 1495 CG GLU B 89 34.109 18.159 -20.667 1.00 10.00 C ATOM 1496 CD GLU B 89 34.497 18.842 -21.973 1.00 10.00 C ATOM 1497 OE1 GLU B 89 35.202 18.181 -22.766 1.00 10.00 O ATOM 1498 OE2 GLU B 89 34.105 20.017 -22.140 1.00 10.00 O ATOM 0 HA GLU B 89 33.903 17.966 -17.911 1.00 10.00 H new ATOM 0 HB2 GLU B 89 35.383 19.394 -19.444 1.00 10.00 H new ATOM 0 HB3 GLU B 89 36.146 17.920 -20.005 1.00 10.00 H new ATOM 0 HG2 GLU B 89 33.931 17.098 -20.844 1.00 10.00 H new ATOM 0 HG3 GLU B 89 33.176 18.581 -20.293 1.00 10.00 H new ATOM 1505 N LYS B 90 35.616 15.501 -19.182 1.00 10.00 N ATOM 1506 CA LYS B 90 35.523 14.088 -19.503 1.00 10.00 C ATOM 1507 C LYS B 90 35.427 13.246 -18.232 1.00 10.00 C ATOM 1508 O LYS B 90 34.559 12.386 -18.128 1.00 10.00 O ATOM 1509 CB LYS B 90 36.713 13.665 -20.372 1.00 10.00 C ATOM 1510 CG LYS B 90 36.690 14.374 -21.735 1.00 10.00 C ATOM 1511 CD LYS B 90 37.735 13.801 -22.705 1.00 10.00 C ATOM 1512 CE LYS B 90 39.180 13.904 -22.196 1.00 10.00 C ATOM 1513 NZ LYS B 90 39.560 15.293 -21.889 1.00 10.00 N ATOM 0 H LYS B 90 36.441 15.959 -19.570 1.00 10.00 H new ATOM 0 HA LYS B 90 34.610 13.917 -20.074 1.00 10.00 H new ATOM 0 HB2 LYS B 90 37.644 13.897 -19.855 1.00 10.00 H new ATOM 0 HB3 LYS B 90 36.692 12.585 -20.521 1.00 10.00 H new ATOM 0 HG2 LYS B 90 35.697 14.279 -22.175 1.00 10.00 H new ATOM 0 HG3 LYS B 90 36.875 15.439 -21.592 1.00 10.00 H new ATOM 0 HD2 LYS B 90 37.502 12.754 -22.897 1.00 10.00 H new ATOM 0 HD3 LYS B 90 37.658 14.325 -23.658 1.00 10.00 H new ATOM 0 HE2 LYS B 90 39.294 13.291 -21.302 1.00 10.00 H new ATOM 0 HE3 LYS B 90 39.859 13.500 -22.948 1.00 10.00 H new ATOM 0 HZ1 LYS B 90 40.562 15.326 -21.614 1.00 10.00 H new ATOM 0 HZ2 LYS B 90 39.412 15.887 -22.730 1.00 10.00 H new ATOM 0 HZ3 LYS B 90 38.974 15.648 -21.106 1.00 10.00 H new ATOM 1527 N ARG B 91 36.292 13.512 -17.252 1.00 10.00 N ATOM 1528 CA ARG B 91 36.301 12.743 -16.010 1.00 10.00 C ATOM 1529 C ARG B 91 34.967 12.914 -15.295 1.00 10.00 C ATOM 1530 O ARG B 91 34.386 11.939 -14.828 1.00 10.00 O ATOM 1531 CB ARG B 91 37.539 13.040 -15.135 1.00 10.00 C ATOM 1532 CG ARG B 91 37.433 14.064 -13.981 1.00 10.00 C ATOM 1533 CD ARG B 91 36.581 13.673 -12.755 1.00 10.00 C ATOM 1534 NE ARG B 91 36.464 12.217 -12.589 1.00 10.00 N ATOM 1535 CZ ARG B 91 37.136 11.446 -11.719 1.00 10.00 C ATOM 1536 NH1 ARG B 91 38.059 11.949 -10.888 1.00 10.00 N ATOM 1537 NH2 ARG B 91 36.866 10.137 -11.682 1.00 10.00 N ATOM 0 H ARG B 91 36.993 14.252 -17.295 1.00 10.00 H new ATOM 0 HA ARG B 91 36.404 11.684 -16.247 1.00 10.00 H new ATOM 0 HB2 ARG B 91 37.867 12.095 -14.703 1.00 10.00 H new ATOM 0 HB3 ARG B 91 38.334 13.379 -15.799 1.00 10.00 H new ATOM 0 HG2 ARG B 91 38.442 14.283 -13.633 1.00 10.00 H new ATOM 0 HG3 ARG B 91 37.029 14.990 -14.390 1.00 10.00 H new ATOM 0 HD2 ARG B 91 37.025 14.103 -11.857 1.00 10.00 H new ATOM 0 HD3 ARG B 91 35.585 14.105 -12.857 1.00 10.00 H new ATOM 0 HE ARG B 91 35.801 11.741 -13.201 1.00 10.00 H new ATOM 0 HH11 ARG B 91 38.270 12.947 -10.904 1.00 10.00 H new ATOM 0 HH12 ARG B 91 38.551 11.334 -10.240 1.00 10.00 H new ATOM 0 HH21 ARG B 91 36.162 9.744 -12.307 1.00 10.00 H new ATOM 0 HH22 ARG B 91 37.364 9.532 -11.029 1.00 10.00 H new ATOM 1551 N ILE B 92 34.469 14.152 -15.252 1.00 10.00 N ATOM 1552 CA ILE B 92 33.198 14.473 -14.619 1.00 10.00 C ATOM 1553 C ILE B 92 32.078 13.671 -15.283 1.00 10.00 C ATOM 1554 O ILE B 92 31.331 12.947 -14.624 1.00 10.00 O ATOM 1555 CB ILE B 92 32.931 15.989 -14.714 1.00 10.00 C ATOM 1556 CG1 ILE B 92 34.034 16.847 -14.068 1.00 10.00 C ATOM 1557 CG2 ILE B 92 31.557 16.317 -14.124 1.00 10.00 C ATOM 1558 CD1 ILE B 92 34.050 16.822 -12.539 1.00 10.00 C ATOM 0 H ILE B 92 34.942 14.959 -15.658 1.00 10.00 H new ATOM 0 HA ILE B 92 33.235 14.203 -13.564 1.00 10.00 H new ATOM 0 HB ILE B 92 32.941 16.247 -15.773 1.00 10.00 H new ATOM 0 HG12 ILE B 92 35.002 16.505 -14.434 1.00 10.00 H new ATOM 0 HG13 ILE B 92 33.914 17.878 -14.400 1.00 10.00 H new ATOM 0 HG21 ILE B 92 31.377 17.390 -14.195 1.00 10.00 H new ATOM 0 HG22 ILE B 92 30.786 15.782 -14.678 1.00 10.00 H new ATOM 0 HG23 ILE B 92 31.528 16.013 -13.078 1.00 10.00 H new ATOM 0 HD11 ILE B 92 34.859 17.454 -12.173 1.00 10.00 H new ATOM 0 HD12 ILE B 92 33.099 17.194 -12.159 1.00 10.00 H new ATOM 0 HD13 ILE B 92 34.204 15.800 -12.193 1.00 10.00 H new ATOM 1570 N LYS B 93 31.946 13.823 -16.600 1.00 10.00 N ATOM 1571 CA LYS B 93 30.822 13.270 -17.329 1.00 10.00 C ATOM 1572 C LYS B 93 30.886 11.747 -17.320 1.00 10.00 C ATOM 1573 O LYS B 93 29.878 11.100 -17.047 1.00 10.00 O ATOM 1574 CB LYS B 93 30.770 13.854 -18.746 1.00 10.00 C ATOM 1575 CG LYS B 93 30.611 15.384 -18.752 1.00 10.00 C ATOM 1576 CD LYS B 93 29.159 15.888 -18.771 1.00 10.00 C ATOM 1577 CE LYS B 93 28.384 15.581 -17.484 1.00 10.00 C ATOM 1578 NZ LYS B 93 27.130 16.349 -17.408 1.00 10.00 N ATOM 0 H LYS B 93 32.613 14.330 -17.181 1.00 10.00 H new ATOM 0 HA LYS B 93 29.891 13.551 -16.836 1.00 10.00 H new ATOM 0 HB2 LYS B 93 31.682 13.586 -19.279 1.00 10.00 H new ATOM 0 HB3 LYS B 93 29.939 13.404 -19.290 1.00 10.00 H new ATOM 0 HG2 LYS B 93 31.108 15.789 -17.871 1.00 10.00 H new ATOM 0 HG3 LYS B 93 31.130 15.784 -19.623 1.00 10.00 H new ATOM 0 HD2 LYS B 93 29.160 16.965 -18.936 1.00 10.00 H new ATOM 0 HD3 LYS B 93 28.638 15.436 -19.615 1.00 10.00 H new ATOM 0 HE2 LYS B 93 28.161 14.515 -17.439 1.00 10.00 H new ATOM 0 HE3 LYS B 93 29.006 15.814 -16.620 1.00 10.00 H new ATOM 0 HZ1 LYS B 93 26.633 16.116 -16.525 1.00 10.00 H new ATOM 0 HZ2 LYS B 93 27.344 17.366 -17.426 1.00 10.00 H new ATOM 0 HZ3 LYS B 93 26.526 16.108 -18.219 1.00 10.00 H new ATOM 1592 N GLU B 94 32.068 11.174 -17.567 1.00 10.00 N ATOM 1593 CA GLU B 94 32.275 9.740 -17.450 1.00 10.00 C ATOM 1594 C GLU B 94 31.891 9.266 -16.048 1.00 10.00 C ATOM 1595 O GLU B 94 31.169 8.284 -15.913 1.00 10.00 O ATOM 1596 CB GLU B 94 33.731 9.381 -17.774 1.00 10.00 C ATOM 1597 CG GLU B 94 34.052 9.592 -19.262 1.00 10.00 C ATOM 1598 CD GLU B 94 33.372 8.551 -20.147 1.00 10.00 C ATOM 1599 OE1 GLU B 94 33.719 7.360 -19.992 1.00 10.00 O ATOM 1600 OE2 GLU B 94 32.510 8.963 -20.953 1.00 10.00 O ATOM 0 H GLU B 94 32.899 11.693 -17.851 1.00 10.00 H new ATOM 0 HA GLU B 94 31.635 9.230 -18.170 1.00 10.00 H new ATOM 0 HB2 GLU B 94 34.400 9.992 -17.168 1.00 10.00 H new ATOM 0 HB3 GLU B 94 33.918 8.341 -17.506 1.00 10.00 H new ATOM 0 HG2 GLU B 94 33.732 10.589 -19.564 1.00 10.00 H new ATOM 0 HG3 GLU B 94 35.131 9.545 -19.410 1.00 10.00 H new ATOM 1607 N LEU B 95 32.358 9.957 -15.005 1.00 10.00 N ATOM 1608 CA LEU B 95 32.056 9.592 -13.628 1.00 10.00 C ATOM 1609 C LEU B 95 30.546 9.569 -13.380 1.00 10.00 C ATOM 1610 O LEU B 95 30.027 8.586 -12.850 1.00 10.00 O ATOM 1611 CB LEU B 95 32.783 10.552 -12.683 1.00 10.00 C ATOM 1612 CG LEU B 95 32.657 10.203 -11.199 1.00 10.00 C ATOM 1613 CD1 LEU B 95 33.294 8.837 -10.896 1.00 10.00 C ATOM 1614 CD2 LEU B 95 33.388 11.298 -10.428 1.00 10.00 C ATOM 0 H LEU B 95 32.953 10.781 -15.095 1.00 10.00 H new ATOM 0 HA LEU B 95 32.413 8.581 -13.433 1.00 10.00 H new ATOM 0 HB2 LEU B 95 33.840 10.572 -12.949 1.00 10.00 H new ATOM 0 HB3 LEU B 95 32.395 11.559 -12.840 1.00 10.00 H new ATOM 0 HG LEU B 95 31.608 10.141 -10.911 1.00 10.00 H new ATOM 0 HD11 LEU B 95 33.190 8.615 -9.834 1.00 10.00 H new ATOM 0 HD12 LEU B 95 32.793 8.064 -11.479 1.00 10.00 H new ATOM 0 HD13 LEU B 95 34.351 8.862 -11.159 1.00 10.00 H new ATOM 0 HD21 LEU B 95 33.326 11.093 -9.359 1.00 10.00 H new ATOM 0 HD22 LEU B 95 34.434 11.322 -10.733 1.00 10.00 H new ATOM 0 HD23 LEU B 95 32.926 12.262 -10.640 1.00 10.00 H new ATOM 1626 N GLU B 96 29.829 10.630 -13.772 1.00 10.00 N ATOM 1627 CA GLU B 96 28.376 10.641 -13.645 1.00 10.00 C ATOM 1628 C GLU B 96 27.767 9.463 -14.419 1.00 10.00 C ATOM 1629 O GLU B 96 27.045 8.631 -13.864 1.00 10.00 O ATOM 1630 CB GLU B 96 27.794 11.967 -14.149 1.00 10.00 C ATOM 1631 CG GLU B 96 28.117 13.121 -13.204 1.00 10.00 C ATOM 1632 CD GLU B 96 27.348 14.373 -13.605 1.00 10.00 C ATOM 1633 OE1 GLU B 96 27.875 15.115 -14.461 1.00 10.00 O ATOM 1634 OE2 GLU B 96 26.240 14.559 -13.058 1.00 10.00 O ATOM 0 H GLU B 96 30.229 11.478 -14.174 1.00 10.00 H new ATOM 0 HA GLU B 96 28.124 10.538 -12.590 1.00 10.00 H new ATOM 0 HB2 GLU B 96 28.192 12.186 -15.140 1.00 10.00 H new ATOM 0 HB3 GLU B 96 26.713 11.874 -14.253 1.00 10.00 H new ATOM 0 HG2 GLU B 96 27.862 12.843 -12.181 1.00 10.00 H new ATOM 0 HG3 GLU B 96 29.188 13.324 -13.222 1.00 10.00 H new ATOM 1641 N LEU B 97 28.058 9.423 -15.723 1.00 10.00 N ATOM 1642 CA LEU B 97 27.495 8.479 -16.676 1.00 10.00 C ATOM 1643 C LEU B 97 27.684 7.041 -16.197 1.00 10.00 C ATOM 1644 O LEU B 97 26.754 6.241 -16.267 1.00 10.00 O ATOM 1645 CB LEU B 97 28.143 8.704 -18.051 1.00 10.00 C ATOM 1646 CG LEU B 97 27.678 7.731 -19.148 1.00 10.00 C ATOM 1647 CD1 LEU B 97 26.170 7.832 -19.409 1.00 10.00 C ATOM 1648 CD2 LEU B 97 28.440 8.043 -20.441 1.00 10.00 C ATOM 0 H LEU B 97 28.716 10.073 -16.153 1.00 10.00 H new ATOM 0 HA LEU B 97 26.421 8.647 -16.761 1.00 10.00 H new ATOM 0 HB2 LEU B 97 27.931 9.723 -18.375 1.00 10.00 H new ATOM 0 HB3 LEU B 97 29.225 8.621 -17.946 1.00 10.00 H new ATOM 0 HG LEU B 97 27.885 6.716 -18.810 1.00 10.00 H new ATOM 0 HD11 LEU B 97 25.888 7.127 -20.191 1.00 10.00 H new ATOM 0 HD12 LEU B 97 25.626 7.596 -18.494 1.00 10.00 H new ATOM 0 HD13 LEU B 97 25.923 8.845 -19.728 1.00 10.00 H new ATOM 0 HD21 LEU B 97 28.119 7.359 -21.227 1.00 10.00 H new ATOM 0 HD22 LEU B 97 28.234 9.069 -20.746 1.00 10.00 H new ATOM 0 HD23 LEU B 97 29.510 7.923 -20.271 1.00 10.00 H new ATOM 1660 N LEU B 98 28.885 6.714 -15.716 1.00 10.00 N ATOM 1661 CA LEU B 98 29.237 5.401 -15.202 1.00 10.00 C ATOM 1662 C LEU B 98 28.165 4.912 -14.230 1.00 10.00 C ATOM 1663 O LEU B 98 27.608 3.832 -14.420 1.00 10.00 O ATOM 1664 CB LEU B 98 30.626 5.474 -14.547 1.00 10.00 C ATOM 1665 CG LEU B 98 31.083 4.181 -13.851 1.00 10.00 C ATOM 1666 CD1 LEU B 98 31.178 3.010 -14.835 1.00 10.00 C ATOM 1667 CD2 LEU B 98 32.453 4.421 -13.206 1.00 10.00 C ATOM 0 H LEU B 98 29.658 7.379 -15.675 1.00 10.00 H new ATOM 0 HA LEU B 98 29.284 4.677 -16.015 1.00 10.00 H new ATOM 0 HB2 LEU B 98 31.358 5.737 -15.311 1.00 10.00 H new ATOM 0 HB3 LEU B 98 30.625 6.282 -13.815 1.00 10.00 H new ATOM 0 HG LEU B 98 30.344 3.919 -13.094 1.00 10.00 H new ATOM 0 HD11 LEU B 98 31.504 2.115 -14.305 1.00 10.00 H new ATOM 0 HD12 LEU B 98 30.201 2.831 -15.283 1.00 10.00 H new ATOM 0 HD13 LEU B 98 31.897 3.250 -15.618 1.00 10.00 H new ATOM 0 HD21 LEU B 98 32.786 3.510 -12.710 1.00 10.00 H new ATOM 0 HD22 LEU B 98 33.173 4.699 -13.975 1.00 10.00 H new ATOM 0 HD23 LEU B 98 32.375 5.225 -12.474 1.00 10.00 H new ATOM 1679 N LEU B 99 27.860 5.707 -13.199 1.00 10.00 N ATOM 1680 CA LEU B 99 26.864 5.314 -12.213 1.00 10.00 C ATOM 1681 C LEU B 99 25.481 5.290 -12.865 1.00 10.00 C ATOM 1682 O LEU B 99 24.793 4.276 -12.802 1.00 10.00 O ATOM 1683 CB LEU B 99 26.946 6.222 -10.976 1.00 10.00 C ATOM 1684 CG LEU B 99 26.260 5.675 -9.707 1.00 10.00 C ATOM 1685 CD1 LEU B 99 24.741 5.541 -9.823 1.00 10.00 C ATOM 1686 CD2 LEU B 99 26.851 4.334 -9.252 1.00 10.00 C ATOM 0 H LEU B 99 28.288 6.618 -13.031 1.00 10.00 H new ATOM 0 HA LEU B 99 27.063 4.304 -11.856 1.00 10.00 H new ATOM 0 HB2 LEU B 99 27.996 6.406 -10.750 1.00 10.00 H new ATOM 0 HB3 LEU B 99 26.500 7.185 -11.223 1.00 10.00 H new ATOM 0 HG LEU B 99 26.465 6.435 -8.953 1.00 10.00 H new ATOM 0 HD11 LEU B 99 24.338 5.150 -8.889 1.00 10.00 H new ATOM 0 HD12 LEU B 99 24.304 6.519 -10.026 1.00 10.00 H new ATOM 0 HD13 LEU B 99 24.497 4.858 -10.637 1.00 10.00 H new ATOM 0 HD21 LEU B 99 26.333 3.993 -8.356 1.00 10.00 H new ATOM 0 HD22 LEU B 99 26.729 3.595 -10.044 1.00 10.00 H new ATOM 0 HD23 LEU B 99 27.911 4.459 -9.033 1.00 10.00 H new ATOM 1698 N MET B 100 25.080 6.375 -13.531 1.00 10.00 N ATOM 1699 CA MET B 100 23.793 6.454 -14.228 1.00 10.00 C ATOM 1700 C MET B 100 23.502 5.197 -15.062 1.00 10.00 C ATOM 1701 O MET B 100 22.378 4.699 -15.087 1.00 10.00 O ATOM 1702 CB MET B 100 23.739 7.708 -15.111 1.00 10.00 C ATOM 1703 CG MET B 100 23.745 9.011 -14.302 1.00 10.00 C ATOM 1704 SD MET B 100 22.268 9.318 -13.302 1.00 10.00 S ATOM 1705 CE MET B 100 22.705 10.936 -12.634 1.00 10.00 C ATOM 0 H MET B 100 25.639 7.225 -13.603 1.00 10.00 H new ATOM 0 HA MET B 100 23.017 6.519 -13.465 1.00 10.00 H new ATOM 0 HB2 MET B 100 24.592 7.704 -15.790 1.00 10.00 H new ATOM 0 HB3 MET B 100 22.841 7.673 -15.727 1.00 10.00 H new ATOM 0 HG2 MET B 100 24.613 9.004 -13.643 1.00 10.00 H new ATOM 0 HG3 MET B 100 23.875 9.845 -14.992 1.00 10.00 H new ATOM 0 HE1 MET B 100 21.904 11.290 -11.986 1.00 10.00 H new ATOM 0 HE2 MET B 100 23.628 10.855 -12.060 1.00 10.00 H new ATOM 0 HE3 MET B 100 22.848 11.641 -13.453 1.00 10.00 H new ATOM 1715 N SER B 101 24.524 4.667 -15.735 1.00 10.00 N ATOM 1716 CA SER B 101 24.392 3.515 -16.609 1.00 10.00 C ATOM 1717 C SER B 101 24.005 2.220 -15.884 1.00 10.00 C ATOM 1718 O SER B 101 23.447 1.340 -16.542 1.00 10.00 O ATOM 1719 CB SER B 101 25.695 3.299 -17.384 1.00 10.00 C ATOM 1720 OG SER B 101 25.980 4.430 -18.181 1.00 10.00 O ATOM 0 H SER B 101 25.474 5.034 -15.684 1.00 10.00 H new ATOM 0 HA SER B 101 23.570 3.744 -17.287 1.00 10.00 H new ATOM 0 HB2 SER B 101 26.515 3.119 -16.689 1.00 10.00 H new ATOM 0 HB3 SER B 101 25.610 2.413 -18.013 1.00 10.00 H new ATOM 0 HG SER B 101 26.364 5.137 -17.621 1.00 10.00 H new ATOM 1726 N THR B 102 24.296 2.080 -14.581 1.00 10.00 N ATOM 1727 CA THR B 102 24.190 0.817 -13.848 1.00 10.00 C ATOM 1728 C THR B 102 23.026 -0.084 -14.252 1.00 10.00 C ATOM 1729 O THR B 102 23.285 -1.207 -14.653 1.00 10.00 O ATOM 1730 CB THR B 102 24.251 0.999 -12.329 1.00 10.00 C ATOM 1731 OG1 THR B 102 25.373 1.783 -12.007 1.00 10.00 O ATOM 1732 CG2 THR B 102 24.437 -0.355 -11.632 1.00 10.00 C ATOM 0 H THR B 102 24.616 2.856 -14.002 1.00 10.00 H new ATOM 0 HA THR B 102 25.085 0.279 -14.160 1.00 10.00 H new ATOM 0 HB THR B 102 23.323 1.468 -12.003 1.00 10.00 H new ATOM 0 HG1 THR B 102 25.133 2.732 -12.054 1.00 10.00 H new ATOM 0 HG21 THR B 102 24.478 -0.206 -10.553 1.00 10.00 H new ATOM 0 HG22 THR B 102 23.599 -1.008 -11.876 1.00 10.00 H new ATOM 0 HG23 THR B 102 25.366 -0.814 -11.971 1.00 10.00 H new ATOM 1740 N GLU B 103 21.764 0.348 -14.158 1.00 10.00 N ATOM 1741 CA GLU B 103 20.629 -0.495 -14.546 1.00 10.00 C ATOM 1742 C GLU B 103 20.813 -1.189 -15.907 1.00 10.00 C ATOM 1743 O GLU B 103 20.475 -2.361 -16.072 1.00 10.00 O ATOM 1744 CB GLU B 103 19.334 0.322 -14.503 1.00 10.00 C ATOM 1745 CG GLU B 103 19.379 1.633 -15.307 1.00 10.00 C ATOM 1746 CD GLU B 103 18.121 2.464 -15.078 1.00 10.00 C ATOM 1747 OE1 GLU B 103 17.827 2.725 -13.890 1.00 10.00 O ATOM 1748 OE2 GLU B 103 17.468 2.805 -16.087 1.00 10.00 O ATOM 0 H GLU B 103 21.504 1.274 -13.818 1.00 10.00 H new ATOM 0 HA GLU B 103 20.570 -1.304 -13.818 1.00 10.00 H new ATOM 0 HB2 GLU B 103 18.518 -0.294 -14.882 1.00 10.00 H new ATOM 0 HB3 GLU B 103 19.101 0.556 -13.464 1.00 10.00 H new ATOM 0 HG2 GLU B 103 20.257 2.210 -15.017 1.00 10.00 H new ATOM 0 HG3 GLU B 103 19.481 1.408 -16.369 1.00 10.00 H new ATOM 1755 N ASN B 104 21.356 -0.459 -16.880 1.00 10.00 N ATOM 1756 CA ASN B 104 21.604 -0.965 -18.226 1.00 10.00 C ATOM 1757 C ASN B 104 22.675 -2.052 -18.167 1.00 10.00 C ATOM 1758 O ASN B 104 22.505 -3.135 -18.722 1.00 10.00 O ATOM 1759 CB ASN B 104 22.031 0.158 -19.182 1.00 10.00 C ATOM 1760 CG ASN B 104 21.082 1.350 -19.137 1.00 10.00 C ATOM 1761 OD1 ASN B 104 20.120 1.422 -19.893 1.00 10.00 O ATOM 1762 ND2 ASN B 104 21.347 2.291 -18.235 1.00 10.00 N ATOM 0 H ASN B 104 21.639 0.513 -16.752 1.00 10.00 H new ATOM 0 HA ASN B 104 20.676 -1.385 -18.614 1.00 10.00 H new ATOM 0 HB2 ASN B 104 23.037 0.488 -18.924 1.00 10.00 H new ATOM 0 HB3 ASN B 104 22.074 -0.231 -20.199 1.00 10.00 H new ATOM 0 HD21 ASN B 104 20.740 3.107 -18.156 1.00 10.00 H new ATOM 0 HD22 ASN B 104 22.157 2.197 -17.623 1.00 10.00 H new