USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 813 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 115 CYS SG : rot -135:sc= 0.664 USER MOD Set 1.2: A 117 CYS SG : rot -145:sc= 0.366 USER MOD Set 1.3: A 136 CYS SG : rot 138:sc= 2.17 USER MOD Set 1.4: A 138 THR OG1 : rot 61:sc= 0.143 USER MOD Set 1.5: A 139 CYS SG : rot -52:sc= 1.18 USER MOD Set 2.1: A 102 MET CE :methyl -118:sc= -3.51! (180deg=-6.91!) USER MOD Set 2.2: A 121 TYR OH : rot 179:sc= 1.36 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 66:sc= -0.0516 USER MOD Single : A 21 SER OG : rot -32:sc= 0.613 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc=-0.00205 (180deg=-0.1) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 93:sc= 0.67 USER MOD Single : A 39 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-1.9) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.419 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.22 K(o=-2.2,f=-3.7) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= 0.00798 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.25) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 CYS SG : rot 77:sc= 0.858 USER MOD Single : A 96 GLN : amide:sc= -1 X(o=-1,f=-1.3) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.983! C(o=-0.98!,f=-3!) USER MOD Single : A 109 HIS : no HD1:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= -0.173 USER MOD Single : A 112 TYR OH : rot 150:sc= 0 USER MOD Single : A 114 SER OG : rot 46:sc= 0.0908 USER MOD Single : A 120 LYS NZ :NH3+ 151:sc= -0.058 (180deg=-0.497) USER MOD Single : A 122 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= -0.635 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 129 N LYS A 10 13.119 23.671 -20.268 1.00 61.30 N ATOM 130 CA LYS A 10 12.277 24.582 -21.035 1.00 30.54 C ATOM 131 C LYS A 10 11.425 25.444 -20.110 1.00 54.41 C ATOM 132 O LYS A 10 11.635 25.465 -18.897 1.00 15.22 O ATOM 133 CB LYS A 10 11.378 23.794 -21.991 1.00 75.23 C ATOM 134 CG LYS A 10 11.389 24.327 -23.414 1.00 51.23 C ATOM 135 CD LYS A 10 11.009 23.249 -24.415 1.00 65.32 C ATOM 136 CE LYS A 10 11.728 23.442 -25.741 1.00 12.42 C ATOM 137 NZ LYS A 10 10.783 23.797 -26.837 1.00 40.12 N ATOM 0 HA LYS A 10 12.927 25.237 -21.615 1.00 30.54 H new ATOM 0 HB2 LYS A 10 11.696 22.752 -22.000 1.00 75.23 H new ATOM 0 HB3 LYS A 10 10.356 23.812 -21.613 1.00 75.23 H new ATOM 0 HG2 LYS A 10 10.694 25.163 -23.496 1.00 51.23 H new ATOM 0 HG3 LYS A 10 12.380 24.713 -23.652 1.00 51.23 H new ATOM 0 HD2 LYS A 10 11.254 22.269 -24.006 1.00 65.32 H new ATOM 0 HD3 LYS A 10 9.931 23.266 -24.578 1.00 65.32 H new ATOM 0 HE2 LYS A 10 12.476 24.228 -25.638 1.00 12.42 H new ATOM 0 HE3 LYS A 10 12.260 22.527 -26.002 1.00 12.42 H new ATOM 0 HZ1 LYS A 10 11.311 23.920 -27.724 1.00 40.12 H new ATOM 0 HZ2 LYS A 10 10.084 23.036 -26.953 1.00 40.12 H new ATOM 0 HZ3 LYS A 10 10.293 24.683 -26.600 1.00 40.12 H new ATOM 147 N ASP A 11 10.461 26.150 -20.690 1.00 72.53 N ATOM 148 CA ASP A 11 9.574 27.012 -19.916 1.00 35.01 C ATOM 149 C ASP A 11 8.794 26.203 -18.885 1.00 73.51 C ATOM 150 O ASP A 11 8.262 26.756 -17.922 1.00 44.04 O ATOM 151 CB ASP A 11 8.606 27.748 -20.844 1.00 33.04 C ATOM 152 CG ASP A 11 9.065 29.157 -21.161 1.00 54.11 C ATOM 153 OD1 ASP A 11 10.235 29.324 -21.563 1.00 23.53 O ATOM 154 OD2 ASP A 11 8.254 30.095 -21.006 1.00 64.34 O ATOM 0 H ASP A 11 10.273 26.143 -21.693 1.00 72.53 H new ATOM 0 HA ASP A 11 10.187 27.743 -19.389 1.00 35.01 H new ATOM 0 HB2 ASP A 11 8.500 27.186 -21.772 1.00 33.04 H new ATOM 0 HB3 ASP A 11 7.621 27.786 -20.380 1.00 33.04 H new ATOM 158 N TRP A 12 8.729 24.893 -19.094 1.00 33.31 N ATOM 159 CA TRP A 12 8.012 24.009 -18.183 1.00 2.11 C ATOM 160 C TRP A 12 8.420 24.270 -16.737 1.00 12.12 C ATOM 161 O TRP A 12 7.633 24.789 -15.945 1.00 50.32 O ATOM 162 CB TRP A 12 8.279 22.547 -18.544 1.00 53.52 C ATOM 163 CG TRP A 12 8.101 22.253 -20.003 1.00 31.53 C ATOM 164 CD1 TRP A 12 7.178 22.806 -20.844 1.00 11.33 C ATOM 165 CD2 TRP A 12 8.867 21.336 -20.792 1.00 23.21 C ATOM 166 NE1 TRP A 12 7.324 22.287 -22.108 1.00 54.12 N ATOM 167 CE2 TRP A 12 8.353 21.385 -22.103 1.00 24.14 C ATOM 168 CE3 TRP A 12 9.938 20.480 -20.520 1.00 72.14 C ATOM 169 CZ2 TRP A 12 8.874 20.609 -23.135 1.00 2.11 C ATOM 170 CZ3 TRP A 12 10.453 19.711 -21.545 1.00 51.11 C ATOM 171 CH2 TRP A 12 9.921 19.779 -22.840 1.00 63.20 C ATOM 0 H TRP A 12 9.164 24.420 -19.886 1.00 33.31 H new ATOM 0 HA TRP A 12 6.946 24.213 -18.283 1.00 2.11 H new ATOM 0 HB2 TRP A 12 9.296 22.288 -18.250 1.00 53.52 H new ATOM 0 HB3 TRP A 12 7.608 21.910 -17.968 1.00 53.52 H new ATOM 0 HD1 TRP A 12 6.442 23.543 -20.558 1.00 11.33 H new ATOM 0 HE1 TRP A 12 6.757 22.534 -22.919 1.00 54.12 H new ATOM 0 HE3 TRP A 12 10.355 20.421 -19.526 1.00 72.14 H new ATOM 0 HZ2 TRP A 12 8.466 20.660 -24.134 1.00 2.11 H new ATOM 0 HZ3 TRP A 12 11.280 19.046 -21.345 1.00 51.11 H new ATOM 0 HH2 TRP A 12 10.346 19.164 -23.620 1.00 63.20 H new ATOM 181 N TYR A 13 9.653 23.910 -16.401 1.00 64.22 N ATOM 182 CA TYR A 13 10.164 24.104 -15.049 1.00 43.12 C ATOM 183 C TYR A 13 10.252 25.588 -14.708 1.00 62.22 C ATOM 184 O TYR A 13 10.291 25.966 -13.537 1.00 34.34 O ATOM 185 CB TYR A 13 11.541 23.453 -14.903 1.00 53.43 C ATOM 186 CG TYR A 13 12.670 24.294 -15.452 1.00 33.25 C ATOM 187 CD1 TYR A 13 13.317 25.229 -14.654 1.00 34.41 C ATOM 188 CD2 TYR A 13 13.089 24.155 -16.770 1.00 60.13 C ATOM 189 CE1 TYR A 13 14.349 26.002 -15.151 1.00 10.02 C ATOM 190 CE2 TYR A 13 14.121 24.922 -17.275 1.00 63.14 C ATOM 191 CZ TYR A 13 14.748 25.844 -16.462 1.00 1.23 C ATOM 192 OH TYR A 13 15.775 26.610 -16.963 1.00 43.15 O ATOM 0 H TYR A 13 10.318 23.482 -17.046 1.00 64.22 H new ATOM 0 HA TYR A 13 9.470 23.630 -14.354 1.00 43.12 H new ATOM 0 HB2 TYR A 13 11.729 23.252 -13.848 1.00 53.43 H new ATOM 0 HB3 TYR A 13 11.534 22.490 -15.414 1.00 53.43 H new ATOM 0 HD1 TYR A 13 13.008 25.354 -13.627 1.00 34.41 H new ATOM 0 HD2 TYR A 13 12.600 23.436 -17.410 1.00 60.13 H new ATOM 0 HE1 TYR A 13 14.840 26.725 -14.517 1.00 10.02 H new ATOM 0 HE2 TYR A 13 14.436 24.801 -18.301 1.00 63.14 H new ATOM 0 HH TYR A 13 15.932 26.374 -17.901 1.00 43.15 H new ATOM 201 N SER A 14 10.284 26.425 -15.740 1.00 43.30 N ATOM 202 CA SER A 14 10.370 27.868 -15.552 1.00 23.32 C ATOM 203 C SER A 14 9.030 28.439 -15.100 1.00 62.42 C ATOM 204 O SER A 14 8.967 29.534 -14.538 1.00 4.22 O ATOM 205 CB SER A 14 10.815 28.547 -16.849 1.00 40.30 C ATOM 206 OG SER A 14 11.692 27.714 -17.586 1.00 12.05 O ATOM 0 H SER A 14 10.252 26.128 -16.715 1.00 43.30 H new ATOM 0 HA SER A 14 11.109 28.064 -14.775 1.00 23.32 H new ATOM 0 HB2 SER A 14 9.942 28.788 -17.455 1.00 40.30 H new ATOM 0 HB3 SER A 14 11.312 29.489 -16.618 1.00 40.30 H new ATOM 0 HG SER A 14 11.206 26.921 -17.897 1.00 12.05 H new ATOM 211 N ILE A 15 7.962 27.691 -15.348 1.00 45.24 N ATOM 212 CA ILE A 15 6.622 28.120 -14.965 1.00 31.32 C ATOM 213 C ILE A 15 6.348 27.821 -13.495 1.00 12.21 C ATOM 214 O ILE A 15 5.996 28.714 -12.723 1.00 11.22 O ATOM 215 CB ILE A 15 5.544 27.437 -15.827 1.00 65.04 C ATOM 216 CG1 ILE A 15 5.449 28.114 -17.195 1.00 31.24 C ATOM 217 CG2 ILE A 15 4.198 27.472 -15.117 1.00 14.01 C ATOM 218 CD1 ILE A 15 4.426 27.481 -18.113 1.00 31.30 C ATOM 0 H ILE A 15 7.997 26.784 -15.813 1.00 45.24 H new ATOM 0 HA ILE A 15 6.577 29.197 -15.128 1.00 31.32 H new ATOM 0 HB ILE A 15 5.826 26.395 -15.978 1.00 65.04 H new ATOM 0 HG12 ILE A 15 5.198 29.165 -17.054 1.00 31.24 H new ATOM 0 HG13 ILE A 15 6.426 28.081 -17.676 1.00 31.24 H new ATOM 0 HG21 ILE A 15 3.446 26.986 -15.738 1.00 14.01 H new ATOM 0 HG22 ILE A 15 4.275 26.948 -14.164 1.00 14.01 H new ATOM 0 HG23 ILE A 15 3.907 28.507 -14.939 1.00 14.01 H new ATOM 0 HD11 ILE A 15 4.413 28.012 -19.065 1.00 31.30 H new ATOM 0 HD12 ILE A 15 4.687 26.437 -18.284 1.00 31.30 H new ATOM 0 HD13 ILE A 15 3.440 27.537 -17.653 1.00 31.30 H new ATOM 229 N LEU A 16 6.513 26.559 -13.114 1.00 53.45 N ATOM 230 CA LEU A 16 6.284 26.141 -11.735 1.00 21.32 C ATOM 231 C LEU A 16 7.575 26.208 -10.925 1.00 2.33 C ATOM 232 O LEU A 16 7.622 25.772 -9.775 1.00 32.51 O ATOM 233 CB LEU A 16 5.720 24.719 -11.699 1.00 75.53 C ATOM 234 CG LEU A 16 4.528 24.447 -12.617 1.00 53.21 C ATOM 235 CD1 LEU A 16 4.097 22.993 -12.516 1.00 41.14 C ATOM 236 CD2 LEU A 16 3.370 25.374 -12.277 1.00 73.22 C ATOM 0 H LEU A 16 6.804 25.808 -13.740 1.00 53.45 H new ATOM 0 HA LEU A 16 5.560 26.824 -11.290 1.00 21.32 H new ATOM 0 HB2 LEU A 16 6.520 24.026 -11.960 1.00 75.53 H new ATOM 0 HB3 LEU A 16 5.423 24.493 -10.675 1.00 75.53 H new ATOM 0 HG LEU A 16 4.834 24.643 -13.645 1.00 53.21 H new ATOM 0 HD11 LEU A 16 3.248 22.819 -13.176 1.00 41.14 H new ATOM 0 HD12 LEU A 16 4.924 22.347 -12.810 1.00 41.14 H new ATOM 0 HD13 LEU A 16 3.810 22.769 -11.489 1.00 41.14 H new ATOM 0 HD21 LEU A 16 2.531 25.166 -12.940 1.00 73.22 H new ATOM 0 HD22 LEU A 16 3.065 25.211 -11.243 1.00 73.22 H new ATOM 0 HD23 LEU A 16 3.684 26.410 -12.403 1.00 73.22 H new ATOM 247 N GLY A 17 8.621 26.759 -11.533 1.00 5.22 N ATOM 248 CA GLY A 17 9.898 26.875 -10.852 1.00 13.14 C ATOM 249 C GLY A 17 10.302 25.591 -10.155 1.00 52.01 C ATOM 250 O GLY A 17 10.639 25.600 -8.972 1.00 63.23 O ATOM 0 H GLY A 17 8.607 27.127 -12.484 1.00 5.22 H new ATOM 0 HA2 GLY A 17 10.667 27.151 -11.573 1.00 13.14 H new ATOM 0 HA3 GLY A 17 9.844 27.681 -10.120 1.00 13.14 H new ATOM 254 N ALA A 18 10.266 24.484 -10.889 1.00 20.42 N ATOM 255 CA ALA A 18 10.632 23.187 -10.333 1.00 0.11 C ATOM 256 C ALA A 18 12.099 22.869 -10.600 1.00 72.31 C ATOM 257 O ALA A 18 12.554 22.908 -11.744 1.00 70.33 O ATOM 258 CB ALA A 18 9.741 22.096 -10.907 1.00 12.41 C ATOM 0 H ALA A 18 9.987 24.459 -11.870 1.00 20.42 H new ATOM 0 HA ALA A 18 10.487 23.229 -9.253 1.00 0.11 H new ATOM 0 HB1 ALA A 18 10.026 21.133 -10.483 1.00 12.41 H new ATOM 0 HB2 ALA A 18 8.701 22.308 -10.660 1.00 12.41 H new ATOM 0 HB3 ALA A 18 9.857 22.064 -11.990 1.00 12.41 H new ATOM 264 N ASP A 19 12.834 22.556 -9.539 1.00 40.21 N ATOM 265 CA ASP A 19 14.251 22.231 -9.660 1.00 64.15 C ATOM 266 C ASP A 19 14.446 20.936 -10.443 1.00 31.24 C ATOM 267 O ASP A 19 13.523 20.140 -10.614 1.00 24.22 O ATOM 268 CB ASP A 19 14.886 22.103 -8.273 1.00 13.34 C ATOM 269 CG ASP A 19 15.753 23.297 -7.922 1.00 3.21 C ATOM 270 OD1 ASP A 19 15.458 24.407 -8.411 1.00 13.01 O ATOM 271 OD2 ASP A 19 16.726 23.120 -7.161 1.00 64.15 O ATOM 0 H ASP A 19 12.473 22.520 -8.586 1.00 40.21 H new ATOM 0 HA ASP A 19 14.740 23.040 -10.203 1.00 64.15 H new ATOM 0 HB2 ASP A 19 14.100 21.995 -7.525 1.00 13.34 H new ATOM 0 HB3 ASP A 19 15.489 21.196 -8.235 1.00 13.34 H new ATOM 275 N PRO A 20 15.677 20.721 -10.933 1.00 52.21 N ATOM 276 CA PRO A 20 16.023 19.526 -11.708 1.00 61.14 C ATOM 277 C PRO A 20 16.036 18.264 -10.851 1.00 23.41 C ATOM 278 O PRO A 20 16.142 17.152 -11.368 1.00 11.11 O ATOM 279 CB PRO A 20 17.428 19.834 -12.228 1.00 33.20 C ATOM 280 CG PRO A 20 17.989 20.808 -11.250 1.00 45.13 C ATOM 281 CD PRO A 20 16.825 21.629 -10.768 1.00 61.23 C ATOM 0 HA PRO A 20 15.297 19.327 -12.496 1.00 61.14 H new ATOM 0 HB2 PRO A 20 18.037 18.932 -12.282 1.00 33.20 H new ATOM 0 HB3 PRO A 20 17.395 20.256 -13.232 1.00 33.20 H new ATOM 0 HG2 PRO A 20 18.473 20.293 -10.420 1.00 45.13 H new ATOM 0 HG3 PRO A 20 18.745 21.439 -11.718 1.00 45.13 H new ATOM 0 HD2 PRO A 20 16.951 21.934 -9.729 1.00 61.23 H new ATOM 0 HD3 PRO A 20 16.705 22.540 -11.355 1.00 61.23 H new ATOM 286 N SER A 21 15.930 18.444 -9.538 1.00 55.02 N ATOM 287 CA SER A 21 15.934 17.321 -8.609 1.00 43.20 C ATOM 288 C SER A 21 14.606 17.227 -7.864 1.00 11.02 C ATOM 289 O SER A 21 14.438 16.393 -6.974 1.00 42.20 O ATOM 290 CB SER A 21 17.084 17.461 -7.609 1.00 13.23 C ATOM 291 OG SER A 21 17.201 16.304 -6.801 1.00 42.42 O ATOM 0 H SER A 21 15.840 19.358 -9.094 1.00 55.02 H new ATOM 0 HA SER A 21 16.073 16.406 -9.185 1.00 43.20 H new ATOM 0 HB2 SER A 21 18.018 17.630 -8.145 1.00 13.23 H new ATOM 0 HB3 SER A 21 16.917 18.334 -6.978 1.00 13.23 H new ATOM 0 HG SER A 21 16.314 15.912 -6.661 1.00 42.42 H new ATOM 296 N ALA A 22 13.665 18.089 -8.235 1.00 54.43 N ATOM 297 CA ALA A 22 12.350 18.103 -7.603 1.00 34.15 C ATOM 298 C ALA A 22 11.702 16.723 -7.655 1.00 13.24 C ATOM 299 O ALA A 22 12.235 15.799 -8.268 1.00 64.44 O ATOM 300 CB ALA A 22 11.454 19.134 -8.273 1.00 21.54 C ATOM 0 H ALA A 22 13.788 18.786 -8.969 1.00 54.43 H new ATOM 0 HA ALA A 22 12.480 18.376 -6.556 1.00 34.15 H new ATOM 0 HB1 ALA A 22 10.476 19.134 -7.792 1.00 21.54 H new ATOM 0 HB2 ALA A 22 11.904 20.122 -8.180 1.00 21.54 H new ATOM 0 HB3 ALA A 22 11.339 18.885 -9.328 1.00 21.54 H new ATOM 306 N ASN A 23 10.549 16.592 -7.007 1.00 10.03 N ATOM 307 CA ASN A 23 9.829 15.324 -6.978 1.00 71.32 C ATOM 308 C ASN A 23 8.361 15.524 -7.342 1.00 35.00 C ATOM 309 O ASN A 23 7.773 16.564 -7.042 1.00 12.13 O ATOM 310 CB ASN A 23 9.939 14.683 -5.594 1.00 65.10 C ATOM 311 CG ASN A 23 11.314 14.099 -5.335 1.00 25.34 C ATOM 312 OD1 ASN A 23 11.689 13.082 -5.920 1.00 53.42 O ATOM 313 ND2 ASN A 23 12.073 14.740 -4.455 1.00 25.41 N ATOM 0 H ASN A 23 10.094 17.348 -6.495 1.00 10.03 H new ATOM 0 HA ASN A 23 10.281 14.661 -7.715 1.00 71.32 H new ATOM 0 HB2 ASN A 23 9.715 15.430 -4.832 1.00 65.10 H new ATOM 0 HB3 ASN A 23 9.190 13.897 -5.500 1.00 65.10 H new ATOM 0 HD21 ASN A 23 13.008 14.393 -4.240 1.00 25.41 H new ATOM 0 HD22 ASN A 23 11.721 15.579 -3.994 1.00 25.41 H new ATOM 319 N ILE A 24 7.775 14.523 -7.990 1.00 24.14 N ATOM 320 CA ILE A 24 6.377 14.588 -8.394 1.00 42.14 C ATOM 321 C ILE A 24 5.480 14.945 -7.213 1.00 64.14 C ATOM 322 O ILE A 24 4.419 15.544 -7.384 1.00 72.20 O ATOM 323 CB ILE A 24 5.902 13.254 -8.999 1.00 24.45 C ATOM 324 CG1 ILE A 24 4.413 13.325 -9.342 1.00 43.02 C ATOM 325 CG2 ILE A 24 6.176 12.108 -8.036 1.00 35.14 C ATOM 326 CD1 ILE A 24 4.066 14.440 -10.303 1.00 62.32 C ATOM 0 H ILE A 24 8.248 13.656 -8.247 1.00 24.14 H new ATOM 0 HA ILE A 24 6.304 15.367 -9.152 1.00 42.14 H new ATOM 0 HB ILE A 24 6.458 13.071 -9.918 1.00 24.45 H new ATOM 0 HG12 ILE A 24 4.103 12.374 -9.775 1.00 43.02 H new ATOM 0 HG13 ILE A 24 3.843 13.458 -8.423 1.00 43.02 H new ATOM 0 HG21 ILE A 24 5.835 11.172 -8.478 1.00 35.14 H new ATOM 0 HG22 ILE A 24 7.246 12.047 -7.838 1.00 35.14 H new ATOM 0 HG23 ILE A 24 5.644 12.283 -7.101 1.00 35.14 H new ATOM 0 HD11 ILE A 24 2.994 14.430 -10.501 1.00 62.32 H new ATOM 0 HD12 ILE A 24 4.345 15.398 -9.865 1.00 62.32 H new ATOM 0 HD13 ILE A 24 4.609 14.297 -11.237 1.00 62.32 H new ATOM 337 N SER A 25 5.915 14.572 -6.013 1.00 34.22 N ATOM 338 CA SER A 25 5.151 14.850 -4.803 1.00 41.23 C ATOM 339 C SER A 25 5.268 16.321 -4.413 1.00 52.34 C ATOM 340 O SER A 25 4.291 17.069 -4.470 1.00 62.22 O ATOM 341 CB SER A 25 5.636 13.966 -3.652 1.00 1.13 C ATOM 342 OG SER A 25 4.761 12.871 -3.446 1.00 54.13 O ATOM 0 H SER A 25 6.792 14.077 -5.853 1.00 34.22 H new ATOM 0 HA SER A 25 4.104 14.627 -5.006 1.00 41.23 H new ATOM 0 HB2 SER A 25 6.639 13.598 -3.869 1.00 1.13 H new ATOM 0 HB3 SER A 25 5.704 14.558 -2.739 1.00 1.13 H new ATOM 0 HG SER A 25 5.094 12.321 -2.707 1.00 54.13 H new ATOM 347 N ASP A 26 6.468 16.728 -4.017 1.00 44.31 N ATOM 348 CA ASP A 26 6.715 18.108 -3.618 1.00 54.14 C ATOM 349 C ASP A 26 6.300 19.076 -4.722 1.00 42.22 C ATOM 350 O ASP A 26 5.972 20.233 -4.457 1.00 34.51 O ATOM 351 CB ASP A 26 8.192 18.308 -3.277 1.00 5.51 C ATOM 352 CG ASP A 26 8.396 18.856 -1.879 1.00 73.24 C ATOM 353 OD1 ASP A 26 8.205 20.076 -1.686 1.00 45.02 O ATOM 354 OD2 ASP A 26 8.744 18.067 -0.977 1.00 25.13 O ATOM 0 H ASP A 26 7.286 16.121 -3.964 1.00 44.31 H new ATOM 0 HA ASP A 26 6.115 18.316 -2.732 1.00 54.14 H new ATOM 0 HB2 ASP A 26 8.715 17.356 -3.371 1.00 5.51 H new ATOM 0 HB3 ASP A 26 8.639 18.990 -4.000 1.00 5.51 H new ATOM 358 N LEU A 27 6.317 18.594 -5.960 1.00 54.30 N ATOM 359 CA LEU A 27 5.943 19.416 -7.106 1.00 53.52 C ATOM 360 C LEU A 27 4.427 19.467 -7.268 1.00 54.43 C ATOM 361 O LEU A 27 3.882 20.423 -7.820 1.00 61.23 O ATOM 362 CB LEU A 27 6.585 18.869 -8.382 1.00 63.33 C ATOM 363 CG LEU A 27 8.089 19.101 -8.529 1.00 61.54 C ATOM 364 CD1 LEU A 27 8.591 18.531 -9.846 1.00 13.20 C ATOM 365 CD2 LEU A 27 8.412 20.585 -8.430 1.00 24.20 C ATOM 0 H LEU A 27 6.586 17.639 -6.196 1.00 54.30 H new ATOM 0 HA LEU A 27 6.305 20.429 -6.929 1.00 53.52 H new ATOM 0 HB2 LEU A 27 6.397 17.796 -8.428 1.00 63.33 H new ATOM 0 HB3 LEU A 27 6.083 19.318 -9.239 1.00 63.33 H new ATOM 0 HG LEU A 27 8.598 18.584 -7.716 1.00 61.54 H new ATOM 0 HD11 LEU A 27 9.663 18.706 -9.933 1.00 13.20 H new ATOM 0 HD12 LEU A 27 8.394 17.459 -9.877 1.00 13.20 H new ATOM 0 HD13 LEU A 27 8.076 19.019 -10.674 1.00 13.20 H new ATOM 0 HD21 LEU A 27 9.487 20.731 -8.537 1.00 24.20 H new ATOM 0 HD22 LEU A 27 7.892 21.124 -9.222 1.00 24.20 H new ATOM 0 HD23 LEU A 27 8.089 20.964 -7.460 1.00 24.20 H new ATOM 376 N LYS A 28 3.749 18.432 -6.780 1.00 35.13 N ATOM 377 CA LYS A 28 2.295 18.360 -6.868 1.00 20.42 C ATOM 378 C LYS A 28 1.647 19.503 -6.095 1.00 62.05 C ATOM 379 O LYS A 28 0.768 20.193 -6.611 1.00 53.05 O ATOM 380 CB LYS A 28 1.798 17.018 -6.327 1.00 1.04 C ATOM 381 CG LYS A 28 0.285 16.890 -6.314 1.00 50.13 C ATOM 382 CD LYS A 28 -0.164 15.520 -6.793 1.00 31.01 C ATOM 383 CE LYS A 28 0.294 14.420 -5.848 1.00 30.22 C ATOM 384 NZ LYS A 28 -0.692 13.308 -5.770 1.00 13.31 N ATOM 0 H LYS A 28 4.184 17.632 -6.320 1.00 35.13 H new ATOM 0 HA LYS A 28 2.014 18.449 -7.917 1.00 20.42 H new ATOM 0 HB2 LYS A 28 2.217 16.214 -6.932 1.00 1.04 H new ATOM 0 HB3 LYS A 28 2.174 16.883 -5.313 1.00 1.04 H new ATOM 0 HG2 LYS A 28 -0.087 17.063 -5.304 1.00 50.13 H new ATOM 0 HG3 LYS A 28 -0.151 17.660 -6.950 1.00 50.13 H new ATOM 0 HD2 LYS A 28 -1.251 15.501 -6.876 1.00 31.01 H new ATOM 0 HD3 LYS A 28 0.235 15.334 -7.790 1.00 31.01 H new ATOM 0 HE2 LYS A 28 1.255 14.030 -6.184 1.00 30.22 H new ATOM 0 HE3 LYS A 28 0.449 14.838 -4.853 1.00 30.22 H new ATOM 0 HZ1 LYS A 28 -0.342 12.579 -5.116 1.00 13.31 H new ATOM 0 HZ2 LYS A 28 -1.602 13.675 -5.425 1.00 13.31 H new ATOM 0 HZ3 LYS A 28 -0.822 12.892 -6.714 1.00 13.31 H new ATOM 394 N GLN A 29 2.087 19.698 -4.855 1.00 50.54 N ATOM 395 CA GLN A 29 1.548 20.759 -4.012 1.00 53.12 C ATOM 396 C GLN A 29 1.970 22.130 -4.526 1.00 33.52 C ATOM 397 O GLN A 29 1.148 23.039 -4.654 1.00 3.30 O ATOM 398 CB GLN A 29 2.015 20.577 -2.566 1.00 10.42 C ATOM 399 CG GLN A 29 1.962 19.135 -2.087 1.00 60.52 C ATOM 400 CD GLN A 29 1.320 18.998 -0.721 1.00 50.31 C ATOM 401 OE1 GLN A 29 1.740 19.640 0.243 1.00 1.42 O ATOM 402 NE2 GLN A 29 0.296 18.159 -0.630 1.00 54.54 N ATOM 0 H GLN A 29 2.814 19.136 -4.413 1.00 50.54 H new ATOM 0 HA GLN A 29 0.460 20.698 -4.046 1.00 53.12 H new ATOM 0 HB2 GLN A 29 3.037 20.944 -2.474 1.00 10.42 H new ATOM 0 HB3 GLN A 29 1.395 21.191 -1.913 1.00 10.42 H new ATOM 0 HG2 GLN A 29 1.405 18.537 -2.808 1.00 60.52 H new ATOM 0 HG3 GLN A 29 2.974 18.730 -2.051 1.00 60.52 H new ATOM 0 HE21 GLN A 29 -0.019 17.647 -1.454 1.00 54.54 H new ATOM 0 HE22 GLN A 29 -0.176 18.026 0.264 1.00 54.54 H new ATOM 409 N LYS A 30 3.258 22.276 -4.820 1.00 30.24 N ATOM 410 CA LYS A 30 3.792 23.537 -5.323 1.00 42.34 C ATOM 411 C LYS A 30 3.186 23.882 -6.679 1.00 13.04 C ATOM 412 O LYS A 30 3.136 25.049 -7.069 1.00 31.30 O ATOM 413 CB LYS A 30 5.315 23.461 -5.436 1.00 22.21 C ATOM 414 CG LYS A 30 6.046 24.208 -4.334 1.00 42.31 C ATOM 415 CD LYS A 30 7.495 23.763 -4.225 1.00 53.44 C ATOM 416 CE LYS A 30 8.308 24.720 -3.366 1.00 24.22 C ATOM 417 NZ LYS A 30 9.767 24.606 -3.640 1.00 22.52 N ATOM 0 H LYS A 30 3.952 21.536 -4.718 1.00 30.24 H new ATOM 0 HA LYS A 30 3.526 24.323 -4.616 1.00 42.34 H new ATOM 0 HB2 LYS A 30 5.620 22.415 -5.418 1.00 22.21 H new ATOM 0 HB3 LYS A 30 5.620 23.866 -6.401 1.00 22.21 H new ATOM 0 HG2 LYS A 30 6.007 25.279 -4.532 1.00 42.31 H new ATOM 0 HG3 LYS A 30 5.541 24.041 -3.383 1.00 42.31 H new ATOM 0 HD2 LYS A 30 7.538 22.762 -3.797 1.00 53.44 H new ATOM 0 HD3 LYS A 30 7.934 23.703 -5.221 1.00 53.44 H new ATOM 0 HE2 LYS A 30 7.982 25.743 -3.553 1.00 24.22 H new ATOM 0 HE3 LYS A 30 8.119 24.513 -2.313 1.00 24.22 H new ATOM 0 HZ1 LYS A 30 10.287 25.274 -3.035 1.00 22.52 H new ATOM 0 HZ2 LYS A 30 10.084 23.636 -3.437 1.00 22.52 H new ATOM 0 HZ3 LYS A 30 9.951 24.828 -4.639 1.00 22.52 H new ATOM 427 N TYR A 31 2.726 22.861 -7.393 1.00 10.32 N ATOM 428 CA TYR A 31 2.125 23.056 -8.707 1.00 14.14 C ATOM 429 C TYR A 31 0.843 23.877 -8.603 1.00 44.41 C ATOM 430 O TYR A 31 0.733 24.954 -9.189 1.00 4.32 O ATOM 431 CB TYR A 31 1.829 21.706 -9.362 1.00 41.15 C ATOM 432 CG TYR A 31 0.871 21.797 -10.529 1.00 24.12 C ATOM 433 CD1 TYR A 31 1.008 22.790 -11.489 1.00 74.10 C ATOM 434 CD2 TYR A 31 -0.171 20.888 -10.670 1.00 23.25 C ATOM 435 CE1 TYR A 31 0.135 22.878 -12.557 1.00 2.01 C ATOM 436 CE2 TYR A 31 -1.047 20.966 -11.735 1.00 53.21 C ATOM 437 CZ TYR A 31 -0.891 21.963 -12.676 1.00 24.43 C ATOM 438 OH TYR A 31 -1.761 22.044 -13.737 1.00 15.33 O ATOM 0 H TYR A 31 2.758 21.889 -7.084 1.00 10.32 H new ATOM 0 HA TYR A 31 2.836 23.603 -9.326 1.00 14.14 H new ATOM 0 HB2 TYR A 31 2.765 21.265 -9.704 1.00 41.15 H new ATOM 0 HB3 TYR A 31 1.414 21.031 -8.613 1.00 41.15 H new ATOM 0 HD1 TYR A 31 1.811 23.507 -11.400 1.00 74.10 H new ATOM 0 HD2 TYR A 31 -0.298 20.108 -9.934 1.00 23.25 H new ATOM 0 HE1 TYR A 31 0.255 23.658 -13.294 1.00 2.01 H new ATOM 0 HE2 TYR A 31 -1.850 20.250 -11.831 1.00 53.21 H new ATOM 0 HH TYR A 31 -2.424 21.325 -13.672 1.00 15.33 H new ATOM 447 N GLN A 32 -0.124 23.359 -7.852 1.00 3.44 N ATOM 448 CA GLN A 32 -1.399 24.042 -7.671 1.00 71.30 C ATOM 449 C GLN A 32 -1.183 25.495 -7.261 1.00 52.23 C ATOM 450 O GLN A 32 -1.887 26.393 -7.725 1.00 35.44 O ATOM 451 CB GLN A 32 -2.242 23.322 -6.617 1.00 71.44 C ATOM 452 CG GLN A 32 -3.668 23.046 -7.064 1.00 12.04 C ATOM 453 CD GLN A 32 -4.476 22.307 -6.015 1.00 73.12 C ATOM 454 OE1 GLN A 32 -4.716 22.822 -4.923 1.00 34.52 O ATOM 455 NE2 GLN A 32 -4.900 21.092 -6.342 1.00 50.21 N ATOM 0 H GLN A 32 -0.048 22.469 -7.359 1.00 3.44 H new ATOM 0 HA GLN A 32 -1.930 24.027 -8.623 1.00 71.30 H new ATOM 0 HB2 GLN A 32 -1.761 22.378 -6.362 1.00 71.44 H new ATOM 0 HB3 GLN A 32 -2.265 23.924 -5.709 1.00 71.44 H new ATOM 0 HG2 GLN A 32 -4.160 23.990 -7.298 1.00 12.04 H new ATOM 0 HG3 GLN A 32 -3.650 22.460 -7.983 1.00 12.04 H new ATOM 0 HE21 GLN A 32 -4.678 20.704 -7.259 1.00 50.21 H new ATOM 0 HE22 GLN A 32 -5.448 20.547 -5.676 1.00 50.21 H new ATOM 462 N LYS A 33 -0.208 25.720 -6.387 1.00 40.33 N ATOM 463 CA LYS A 33 0.102 27.065 -5.914 1.00 50.32 C ATOM 464 C LYS A 33 0.740 27.897 -7.021 1.00 23.21 C ATOM 465 O LYS A 33 0.351 29.042 -7.254 1.00 61.32 O ATOM 466 CB LYS A 33 1.036 26.999 -4.705 1.00 25.24 C ATOM 467 CG LYS A 33 0.675 27.979 -3.602 1.00 63.30 C ATOM 468 CD LYS A 33 1.831 28.182 -2.636 1.00 52.22 C ATOM 469 CE LYS A 33 2.128 26.916 -1.850 1.00 65.21 C ATOM 470 NZ LYS A 33 1.047 26.600 -0.876 1.00 2.51 N ATOM 0 H LYS A 33 0.382 24.988 -5.991 1.00 40.33 H new ATOM 0 HA LYS A 33 -0.831 27.544 -5.617 1.00 50.32 H new ATOM 0 HB2 LYS A 33 1.021 25.987 -4.300 1.00 25.24 H new ATOM 0 HB3 LYS A 33 2.056 27.195 -5.034 1.00 25.24 H new ATOM 0 HG2 LYS A 33 0.395 28.936 -4.042 1.00 63.30 H new ATOM 0 HG3 LYS A 33 -0.195 27.611 -3.058 1.00 63.30 H new ATOM 0 HD2 LYS A 33 2.720 28.485 -3.189 1.00 52.22 H new ATOM 0 HD3 LYS A 33 1.593 28.992 -1.947 1.00 52.22 H new ATOM 0 HE2 LYS A 33 2.250 26.081 -2.540 1.00 65.21 H new ATOM 0 HE3 LYS A 33 3.073 27.032 -1.319 1.00 65.21 H new ATOM 0 HZ1 LYS A 33 1.360 25.834 -0.246 1.00 2.51 H new ATOM 0 HZ2 LYS A 33 0.830 27.446 -0.311 1.00 2.51 H new ATOM 0 HZ3 LYS A 33 0.194 26.299 -1.389 1.00 2.51 H new ATOM 480 N LEU A 34 1.723 27.315 -7.700 1.00 44.34 N ATOM 481 CA LEU A 34 2.415 28.003 -8.784 1.00 20.15 C ATOM 482 C LEU A 34 1.443 28.385 -9.896 1.00 63.15 C ATOM 483 O LEU A 34 1.308 29.559 -10.239 1.00 61.35 O ATOM 484 CB LEU A 34 3.529 27.118 -9.346 1.00 1.32 C ATOM 485 CG LEU A 34 4.943 27.419 -8.848 1.00 73.23 C ATOM 486 CD1 LEU A 34 5.479 28.686 -9.497 1.00 5.21 C ATOM 487 CD2 LEU A 34 4.957 27.548 -7.332 1.00 24.44 C ATOM 0 H LEU A 34 2.058 26.369 -7.519 1.00 44.34 H new ATOM 0 HA LEU A 34 2.853 28.916 -8.381 1.00 20.15 H new ATOM 0 HB2 LEU A 34 3.295 26.080 -9.109 1.00 1.32 H new ATOM 0 HB3 LEU A 34 3.522 27.206 -10.432 1.00 1.32 H new ATOM 0 HG LEU A 34 5.591 26.589 -9.129 1.00 73.23 H new ATOM 0 HD11 LEU A 34 6.486 28.884 -9.131 1.00 5.21 H new ATOM 0 HD12 LEU A 34 5.505 28.557 -10.579 1.00 5.21 H new ATOM 0 HD13 LEU A 34 4.830 29.525 -9.247 1.00 5.21 H new ATOM 0 HD21 LEU A 34 5.971 27.762 -6.994 1.00 24.44 H new ATOM 0 HD22 LEU A 34 4.295 28.359 -7.030 1.00 24.44 H new ATOM 0 HD23 LEU A 34 4.615 26.615 -6.884 1.00 24.44 H new ATOM 498 N ILE A 35 0.768 27.386 -10.453 1.00 3.54 N ATOM 499 CA ILE A 35 -0.194 27.618 -11.524 1.00 23.23 C ATOM 500 C ILE A 35 -1.187 28.709 -11.142 1.00 11.40 C ATOM 501 O ILE A 35 -1.700 29.426 -12.003 1.00 72.30 O ATOM 502 CB ILE A 35 -0.968 26.333 -11.873 1.00 0.00 C ATOM 503 CG1 ILE A 35 -1.756 26.523 -13.171 1.00 73.32 C ATOM 504 CG2 ILE A 35 -1.900 25.950 -10.733 1.00 23.22 C ATOM 505 CD1 ILE A 35 -3.175 27.000 -12.951 1.00 35.03 C ATOM 0 H ILE A 35 0.869 26.408 -10.181 1.00 3.54 H new ATOM 0 HA ILE A 35 0.375 27.937 -12.397 1.00 23.23 H new ATOM 0 HB ILE A 35 -0.252 25.524 -12.019 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.233 27.242 -13.802 1.00 73.32 H new ATOM 0 HG13 ILE A 35 -1.779 25.578 -13.715 1.00 73.32 H new ATOM 0 HG21 ILE A 35 -2.440 25.040 -10.995 1.00 23.22 H new ATOM 0 HG22 ILE A 35 -1.317 25.778 -9.828 1.00 23.22 H new ATOM 0 HG23 ILE A 35 -2.612 26.757 -10.558 1.00 23.22 H new ATOM 0 HD11 ILE A 35 -3.674 27.113 -13.913 1.00 35.03 H new ATOM 0 HD12 ILE A 35 -3.714 26.271 -12.346 1.00 35.03 H new ATOM 0 HD13 ILE A 35 -3.160 27.960 -12.435 1.00 35.03 H new ATOM 516 N LEU A 36 -1.455 28.831 -9.847 1.00 31.31 N ATOM 517 CA LEU A 36 -2.387 29.838 -9.349 1.00 2.45 C ATOM 518 C LEU A 36 -1.741 31.220 -9.341 1.00 75.14 C ATOM 519 O LEU A 36 -2.265 32.164 -9.934 1.00 41.11 O ATOM 520 CB LEU A 36 -2.857 29.473 -7.941 1.00 75.42 C ATOM 521 CG LEU A 36 -3.767 30.492 -7.252 1.00 11.12 C ATOM 522 CD1 LEU A 36 -5.135 30.520 -7.916 1.00 52.40 C ATOM 523 CD2 LEU A 36 -3.898 30.174 -5.770 1.00 70.12 C ATOM 0 H LEU A 36 -1.040 28.245 -9.122 1.00 31.31 H new ATOM 0 HA LEU A 36 -3.248 29.864 -10.017 1.00 2.45 H new ATOM 0 HB2 LEU A 36 -3.384 28.520 -7.991 1.00 75.42 H new ATOM 0 HB3 LEU A 36 -1.978 29.319 -7.315 1.00 75.42 H new ATOM 0 HG LEU A 36 -3.316 31.479 -7.353 1.00 11.12 H new ATOM 0 HD11 LEU A 36 -5.769 31.250 -7.413 1.00 52.40 H new ATOM 0 HD12 LEU A 36 -5.025 30.796 -8.965 1.00 52.40 H new ATOM 0 HD13 LEU A 36 -5.593 29.533 -7.847 1.00 52.40 H new ATOM 0 HD21 LEU A 36 -4.549 30.909 -5.296 1.00 70.12 H new ATOM 0 HD22 LEU A 36 -4.325 29.179 -5.648 1.00 70.12 H new ATOM 0 HD23 LEU A 36 -2.914 30.206 -5.303 1.00 70.12 H new ATOM 534 N MET A 37 -0.602 31.332 -8.667 1.00 2.21 N ATOM 535 CA MET A 37 0.116 32.598 -8.584 1.00 33.43 C ATOM 536 C MET A 37 0.483 33.107 -9.975 1.00 51.33 C ATOM 537 O MET A 37 0.522 34.314 -10.215 1.00 22.40 O ATOM 538 CB MET A 37 1.381 32.438 -7.738 1.00 35.13 C ATOM 539 CG MET A 37 1.897 33.747 -7.165 1.00 23.54 C ATOM 540 SD MET A 37 3.678 33.726 -6.883 1.00 62.42 S ATOM 541 CE MET A 37 3.780 34.555 -5.297 1.00 14.32 C ATOM 0 H MET A 37 -0.156 30.561 -8.170 1.00 2.21 H new ATOM 0 HA MET A 37 -0.540 33.328 -8.110 1.00 33.43 H new ATOM 0 HB2 MET A 37 1.176 31.748 -6.919 1.00 35.13 H new ATOM 0 HB3 MET A 37 2.162 31.985 -8.349 1.00 35.13 H new ATOM 0 HG2 MET A 37 1.650 34.560 -7.847 1.00 23.54 H new ATOM 0 HG3 MET A 37 1.386 33.954 -6.225 1.00 23.54 H new ATOM 0 HE1 MET A 37 4.823 34.620 -4.987 1.00 14.32 H new ATOM 0 HE2 MET A 37 3.364 35.559 -5.384 1.00 14.32 H new ATOM 0 HE3 MET A 37 3.215 33.991 -4.555 1.00 14.32 H new ATOM 549 N TYR A 38 0.750 32.179 -10.888 1.00 25.34 N ATOM 550 CA TYR A 38 1.116 32.534 -12.254 1.00 60.42 C ATOM 551 C TYR A 38 -0.092 33.057 -13.023 1.00 54.30 C ATOM 552 O TYR A 38 0.036 33.919 -13.894 1.00 63.14 O ATOM 553 CB TYR A 38 1.710 31.324 -12.976 1.00 41.14 C ATOM 554 CG TYR A 38 3.189 31.454 -13.261 1.00 31.42 C ATOM 555 CD1 TYR A 38 4.116 31.493 -12.227 1.00 61.04 C ATOM 556 CD2 TYR A 38 3.660 31.539 -14.566 1.00 65.53 C ATOM 557 CE1 TYR A 38 5.468 31.614 -12.482 1.00 5.23 C ATOM 558 CE2 TYR A 38 5.011 31.658 -14.831 1.00 21.40 C ATOM 559 CZ TYR A 38 5.911 31.695 -13.786 1.00 40.13 C ATOM 560 OH TYR A 38 7.257 31.814 -14.046 1.00 12.42 O ATOM 0 H TYR A 38 0.720 31.176 -10.707 1.00 25.34 H new ATOM 0 HA TYR A 38 1.865 33.325 -12.209 1.00 60.42 H new ATOM 0 HB2 TYR A 38 1.542 30.433 -12.372 1.00 41.14 H new ATOM 0 HB3 TYR A 38 1.179 31.176 -13.916 1.00 41.14 H new ATOM 0 HD1 TYR A 38 3.773 31.427 -11.205 1.00 61.04 H new ATOM 0 HD2 TYR A 38 2.958 31.512 -15.387 1.00 65.53 H new ATOM 0 HE1 TYR A 38 6.174 31.645 -11.665 1.00 5.23 H new ATOM 0 HE2 TYR A 38 5.361 31.722 -15.851 1.00 21.40 H new ATOM 0 HH TYR A 38 7.644 30.924 -14.181 1.00 12.42 H new ATOM 569 N HIS A 39 -1.268 32.529 -12.695 1.00 35.32 N ATOM 570 CA HIS A 39 -2.502 32.943 -13.354 1.00 41.41 C ATOM 571 C HIS A 39 -3.611 33.177 -12.333 1.00 73.25 C ATOM 572 O HIS A 39 -4.556 32.398 -12.217 1.00 62.05 O ATOM 573 CB HIS A 39 -2.942 31.886 -14.368 1.00 35.25 C ATOM 574 CG HIS A 39 -1.833 31.408 -15.254 1.00 43.41 C ATOM 575 ND1 HIS A 39 -1.120 32.244 -16.085 1.00 21.24 N ATOM 576 CD2 HIS A 39 -1.315 30.170 -15.432 1.00 33.32 C ATOM 577 CE1 HIS A 39 -0.211 31.542 -16.739 1.00 42.12 C ATOM 578 NE2 HIS A 39 -0.309 30.280 -16.360 1.00 10.11 N ATOM 0 H HIS A 39 -1.392 31.815 -11.978 1.00 35.32 H new ATOM 0 HA HIS A 39 -2.309 33.880 -13.876 1.00 41.41 H new ATOM 0 HB2 HIS A 39 -3.362 31.034 -13.833 1.00 35.25 H new ATOM 0 HB3 HIS A 39 -3.739 32.298 -14.987 1.00 35.25 H new ATOM 0 HD2 HIS A 39 -1.634 29.265 -14.937 1.00 33.32 H new ATOM 0 HE1 HIS A 39 0.492 31.933 -17.460 1.00 42.12 H new ATOM 0 HE2 HIS A 39 0.269 29.512 -16.701 1.00 10.11 H new ATOM 585 N PRO A 40 -3.494 34.276 -11.572 1.00 31.45 N ATOM 586 CA PRO A 40 -4.476 34.638 -10.548 1.00 74.43 C ATOM 587 C PRO A 40 -5.807 35.077 -11.150 1.00 71.43 C ATOM 588 O PRO A 40 -6.025 34.953 -12.355 1.00 43.33 O ATOM 589 CB PRO A 40 -3.811 35.805 -9.814 1.00 22.45 C ATOM 590 CG PRO A 40 -2.877 36.397 -10.812 1.00 4.14 C ATOM 591 CD PRO A 40 -2.392 35.250 -11.656 1.00 71.10 C ATOM 0 HA PRO A 40 -4.720 33.794 -9.902 1.00 74.43 H new ATOM 0 HB2 PRO A 40 -4.549 36.535 -9.481 1.00 22.45 H new ATOM 0 HB3 PRO A 40 -3.278 35.463 -8.927 1.00 22.45 H new ATOM 0 HG2 PRO A 40 -3.382 37.145 -11.423 1.00 4.14 H new ATOM 0 HG3 PRO A 40 -2.044 36.898 -10.318 1.00 4.14 H new ATOM 0 HD2 PRO A 40 -2.206 35.558 -12.685 1.00 71.10 H new ATOM 0 HD3 PRO A 40 -1.459 34.836 -11.274 1.00 71.10 H new ATOM 596 N ASP A 41 -6.692 35.592 -10.303 1.00 34.11 N ATOM 597 CA ASP A 41 -8.001 36.051 -10.753 1.00 73.45 C ATOM 598 C ASP A 41 -7.907 37.444 -11.368 1.00 60.40 C ATOM 599 O ASP A 41 -7.412 38.380 -10.741 1.00 64.33 O ATOM 600 CB ASP A 41 -8.990 36.062 -9.585 1.00 1.05 C ATOM 601 CG ASP A 41 -10.228 36.884 -9.884 1.00 73.02 C ATOM 602 OD1 ASP A 41 -11.194 36.322 -10.441 1.00 75.32 O ATOM 603 OD2 ASP A 41 -10.232 38.091 -9.559 1.00 10.03 O ATOM 0 H ASP A 41 -6.527 35.702 -9.302 1.00 34.11 H new ATOM 0 HA ASP A 41 -8.358 35.360 -11.516 1.00 73.45 H new ATOM 0 HB2 ASP A 41 -9.284 35.039 -9.352 1.00 1.05 H new ATOM 0 HB3 ASP A 41 -8.497 36.462 -8.699 1.00 1.05 H new ATOM 607 N LYS A 42 -8.384 37.575 -12.601 1.00 42.30 N ATOM 608 CA LYS A 42 -8.355 38.852 -13.303 1.00 31.42 C ATOM 609 C LYS A 42 -9.361 38.868 -14.448 1.00 13.32 C ATOM 610 O LYS A 42 -9.524 37.874 -15.155 1.00 10.33 O ATOM 611 CB LYS A 42 -6.950 39.130 -13.841 1.00 64.31 C ATOM 612 CG LYS A 42 -6.348 40.429 -13.333 1.00 11.21 C ATOM 613 CD LYS A 42 -6.969 41.636 -14.015 1.00 11.45 C ATOM 614 CE LYS A 42 -5.912 42.642 -14.438 1.00 32.32 C ATOM 615 NZ LYS A 42 -6.327 44.042 -14.142 1.00 13.45 N ATOM 0 H LYS A 42 -8.796 36.810 -13.136 1.00 42.30 H new ATOM 0 HA LYS A 42 -8.627 39.633 -12.593 1.00 31.42 H new ATOM 0 HB2 LYS A 42 -6.295 38.304 -13.565 1.00 64.31 H new ATOM 0 HB3 LYS A 42 -6.986 39.158 -14.930 1.00 64.31 H new ATOM 0 HG2 LYS A 42 -6.496 40.503 -12.256 1.00 11.21 H new ATOM 0 HG3 LYS A 42 -5.272 40.425 -13.507 1.00 11.21 H new ATOM 0 HD2 LYS A 42 -7.534 41.311 -14.889 1.00 11.45 H new ATOM 0 HD3 LYS A 42 -7.677 42.114 -13.338 1.00 11.45 H new ATOM 0 HE2 LYS A 42 -4.977 42.424 -13.923 1.00 32.32 H new ATOM 0 HE3 LYS A 42 -5.719 42.539 -15.506 1.00 32.32 H new ATOM 0 HZ1 LYS A 42 -5.579 44.697 -14.446 1.00 13.45 H new ATOM 0 HZ2 LYS A 42 -7.206 44.259 -14.654 1.00 13.45 H new ATOM 0 HZ3 LYS A 42 -6.486 44.148 -13.120 1.00 13.45 H new ATOM 625 N GLN A 43 -10.033 40.001 -14.626 1.00 32.55 N ATOM 626 CA GLN A 43 -11.022 40.144 -15.687 1.00 12.14 C ATOM 627 C GLN A 43 -11.619 41.548 -15.689 1.00 62.30 C ATOM 628 O GLN A 43 -11.610 42.239 -14.669 1.00 1.42 O ATOM 629 CB GLN A 43 -12.132 39.105 -15.521 1.00 72.12 C ATOM 630 CG GLN A 43 -12.293 38.191 -16.724 1.00 11.31 C ATOM 631 CD GLN A 43 -12.729 36.791 -16.339 1.00 45.34 C ATOM 632 OE1 GLN A 43 -11.938 35.848 -16.378 1.00 34.13 O ATOM 633 NE2 GLN A 43 -13.995 36.647 -15.962 1.00 41.21 N ATOM 0 H GLN A 43 -9.910 40.833 -14.049 1.00 32.55 H new ATOM 0 HA GLN A 43 -10.521 39.981 -16.641 1.00 12.14 H new ATOM 0 HB2 GLN A 43 -11.922 38.499 -14.640 1.00 72.12 H new ATOM 0 HB3 GLN A 43 -13.075 39.619 -15.337 1.00 72.12 H new ATOM 0 HG2 GLN A 43 -13.026 38.621 -17.407 1.00 11.31 H new ATOM 0 HG3 GLN A 43 -11.348 38.137 -17.264 1.00 11.31 H new ATOM 0 HE21 GLN A 43 -14.617 37.455 -15.944 1.00 41.21 H new ATOM 0 HE22 GLN A 43 -14.345 35.728 -15.691 1.00 41.21 H new ATOM 640 N SER A 44 -12.137 41.965 -16.840 1.00 2.43 N ATOM 641 CA SER A 44 -12.734 43.287 -16.975 1.00 12.33 C ATOM 642 C SER A 44 -14.237 43.183 -17.216 1.00 4.32 C ATOM 643 O SER A 44 -15.042 43.466 -16.328 1.00 23.31 O ATOM 644 CB SER A 44 -12.075 44.053 -18.124 1.00 31.13 C ATOM 645 OG SER A 44 -10.775 44.489 -17.767 1.00 41.14 O ATOM 0 H SER A 44 -12.155 41.405 -17.693 1.00 2.43 H new ATOM 0 HA SER A 44 -12.569 43.829 -16.044 1.00 12.33 H new ATOM 0 HB2 SER A 44 -12.018 43.415 -19.006 1.00 31.13 H new ATOM 0 HB3 SER A 44 -12.689 44.913 -18.392 1.00 31.13 H new ATOM 0 HG SER A 44 -10.375 44.974 -18.519 1.00 41.14 H new ATOM 650 N THR A 45 -14.610 42.773 -18.425 1.00 51.32 N ATOM 651 CA THR A 45 -16.016 42.631 -18.784 1.00 61.40 C ATOM 652 C THR A 45 -16.485 41.191 -18.609 1.00 32.31 C ATOM 653 O THR A 45 -17.347 40.906 -17.778 1.00 21.01 O ATOM 654 CB THR A 45 -16.270 43.069 -20.239 1.00 51.12 C ATOM 655 OG1 THR A 45 -15.183 42.654 -21.073 1.00 51.13 O ATOM 656 CG2 THR A 45 -16.436 44.579 -20.328 1.00 70.24 C ATOM 0 H THR A 45 -13.958 42.534 -19.172 1.00 51.32 H new ATOM 0 HA THR A 45 -16.581 43.278 -18.113 1.00 61.40 H new ATOM 0 HB THR A 45 -17.191 42.597 -20.582 1.00 51.12 H new ATOM 0 HG1 THR A 45 -15.353 42.935 -21.996 1.00 51.13 H new ATOM 0 HG21 THR A 45 -16.614 44.865 -21.365 1.00 70.24 H new ATOM 0 HG22 THR A 45 -17.283 44.889 -19.715 1.00 70.24 H new ATOM 0 HG23 THR A 45 -15.530 45.066 -19.968 1.00 70.24 H new ATOM 664 N ASP A 46 -15.913 40.288 -19.398 1.00 65.35 N ATOM 665 CA ASP A 46 -16.272 38.876 -19.328 1.00 61.52 C ATOM 666 C ASP A 46 -15.173 38.006 -19.931 1.00 53.31 C ATOM 667 O ASP A 46 -14.426 37.345 -19.211 1.00 5.52 O ATOM 668 CB ASP A 46 -17.593 38.628 -20.056 1.00 14.41 C ATOM 669 CG ASP A 46 -18.786 38.671 -19.122 1.00 0.20 C ATOM 670 OD1 ASP A 46 -18.987 37.692 -18.371 1.00 50.42 O ATOM 671 OD2 ASP A 46 -19.518 39.682 -19.140 1.00 51.13 O ATOM 0 H ASP A 46 -15.199 40.508 -20.093 1.00 65.35 H new ATOM 0 HA ASP A 46 -16.389 38.607 -18.278 1.00 61.52 H new ATOM 0 HB2 ASP A 46 -17.720 39.377 -20.837 1.00 14.41 H new ATOM 0 HB3 ASP A 46 -17.556 37.656 -20.549 1.00 14.41 H new ATOM 675 N VAL A 47 -15.083 38.011 -21.257 1.00 44.21 N ATOM 676 CA VAL A 47 -14.077 37.221 -21.958 1.00 23.51 C ATOM 677 C VAL A 47 -13.717 37.854 -23.297 1.00 1.24 C ATOM 678 O VAL A 47 -14.130 37.390 -24.361 1.00 70.33 O ATOM 679 CB VAL A 47 -14.560 35.779 -22.196 1.00 13.13 C ATOM 680 CG1 VAL A 47 -14.523 34.982 -20.901 1.00 55.01 C ATOM 681 CG2 VAL A 47 -15.959 35.778 -22.792 1.00 35.04 C ATOM 0 H VAL A 47 -15.694 38.553 -21.868 1.00 44.21 H new ATOM 0 HA VAL A 47 -13.193 37.198 -21.321 1.00 23.51 H new ATOM 0 HB VAL A 47 -13.886 35.302 -22.907 1.00 13.13 H new ATOM 0 HG11 VAL A 47 -14.868 33.965 -21.089 1.00 55.01 H new ATOM 0 HG12 VAL A 47 -13.502 34.954 -20.520 1.00 55.01 H new ATOM 0 HG13 VAL A 47 -15.172 35.455 -20.164 1.00 55.01 H new ATOM 0 HG21 VAL A 47 -16.285 34.750 -22.954 1.00 35.04 H new ATOM 0 HG22 VAL A 47 -16.647 36.273 -22.107 1.00 35.04 H new ATOM 0 HG23 VAL A 47 -15.950 36.310 -23.743 1.00 35.04 H new ATOM 691 N PRO A 48 -12.928 38.938 -23.247 1.00 14.42 N ATOM 692 CA PRO A 48 -12.495 39.656 -24.450 1.00 73.42 C ATOM 693 C PRO A 48 -11.502 38.851 -25.280 1.00 21.54 C ATOM 694 O PRO A 48 -10.977 37.836 -24.825 1.00 25.23 O ATOM 695 CB PRO A 48 -11.827 40.914 -23.888 1.00 14.05 C ATOM 696 CG PRO A 48 -11.381 40.528 -22.521 1.00 61.23 C ATOM 697 CD PRO A 48 -12.400 39.544 -22.015 1.00 71.50 C ATOM 0 HA PRO A 48 -13.326 39.862 -25.124 1.00 73.42 H new ATOM 0 HB2 PRO A 48 -10.985 41.225 -24.506 1.00 14.05 H new ATOM 0 HB3 PRO A 48 -12.524 41.751 -23.855 1.00 14.05 H new ATOM 0 HG2 PRO A 48 -10.387 40.082 -22.546 1.00 61.23 H new ATOM 0 HG3 PRO A 48 -11.323 41.399 -21.869 1.00 61.23 H new ATOM 0 HD2 PRO A 48 -11.948 38.798 -21.361 1.00 71.50 H new ATOM 0 HD3 PRO A 48 -13.185 40.037 -21.441 1.00 71.50 H new ATOM 702 N ALA A 49 -11.248 39.312 -26.501 1.00 42.31 N ATOM 703 CA ALA A 49 -10.316 38.636 -27.393 1.00 23.23 C ATOM 704 C ALA A 49 -8.981 38.377 -26.702 1.00 61.43 C ATOM 705 O ALA A 49 -8.294 37.402 -27.000 1.00 53.11 O ATOM 706 CB ALA A 49 -10.106 39.456 -28.658 1.00 10.43 C ATOM 0 H ALA A 49 -11.675 40.151 -26.894 1.00 42.31 H new ATOM 0 HA ALA A 49 -10.748 37.673 -27.664 1.00 23.23 H new ATOM 0 HB1 ALA A 49 -9.407 38.939 -29.315 1.00 10.43 H new ATOM 0 HB2 ALA A 49 -11.059 39.584 -29.171 1.00 10.43 H new ATOM 0 HB3 ALA A 49 -9.701 40.433 -28.395 1.00 10.43 H new ATOM 712 N GLY A 50 -8.621 39.260 -25.774 1.00 23.25 N ATOM 713 CA GLY A 50 -7.369 39.110 -25.055 1.00 33.10 C ATOM 714 C GLY A 50 -7.397 37.952 -24.077 1.00 15.23 C ATOM 715 O GLY A 50 -6.386 37.281 -23.869 1.00 43.32 O ATOM 0 H GLY A 50 -9.173 40.075 -25.508 1.00 23.25 H new ATOM 0 HA2 GLY A 50 -6.559 38.959 -25.769 1.00 33.10 H new ATOM 0 HA3 GLY A 50 -7.151 40.032 -24.516 1.00 33.10 H new ATOM 719 N THR A 51 -8.558 37.717 -23.474 1.00 52.33 N ATOM 720 CA THR A 51 -8.714 36.635 -22.511 1.00 0.45 C ATOM 721 C THR A 51 -8.880 35.293 -23.215 1.00 65.23 C ATOM 722 O THR A 51 -8.413 34.263 -22.728 1.00 11.43 O ATOM 723 CB THR A 51 -9.925 36.871 -21.589 1.00 14.11 C ATOM 724 OG1 THR A 51 -9.756 38.093 -20.862 1.00 72.50 O ATOM 725 CG2 THR A 51 -10.099 35.715 -20.617 1.00 72.53 C ATOM 0 H THR A 51 -9.405 38.262 -23.636 1.00 52.33 H new ATOM 0 HA THR A 51 -7.807 36.617 -21.907 1.00 0.45 H new ATOM 0 HB THR A 51 -10.819 36.939 -22.209 1.00 14.11 H new ATOM 0 HG1 THR A 51 -10.337 38.087 -20.073 1.00 72.50 H new ATOM 0 HG21 THR A 51 -10.960 35.905 -19.977 1.00 72.53 H new ATOM 0 HG22 THR A 51 -10.257 34.792 -21.174 1.00 72.53 H new ATOM 0 HG23 THR A 51 -9.204 35.619 -20.002 1.00 72.53 H new ATOM 733 N VAL A 52 -9.548 35.311 -24.364 1.00 4.23 N ATOM 734 CA VAL A 52 -9.774 34.095 -25.136 1.00 35.04 C ATOM 735 C VAL A 52 -8.456 33.407 -25.477 1.00 11.41 C ATOM 736 O VAL A 52 -8.192 32.294 -25.024 1.00 30.34 O ATOM 737 CB VAL A 52 -10.537 34.392 -26.441 1.00 72.23 C ATOM 738 CG1 VAL A 52 -10.739 33.117 -27.243 1.00 12.43 C ATOM 739 CG2 VAL A 52 -11.870 35.058 -26.137 1.00 52.13 C ATOM 0 H VAL A 52 -9.942 36.154 -24.781 1.00 4.23 H new ATOM 0 HA VAL A 52 -10.376 33.433 -24.514 1.00 35.04 H new ATOM 0 HB VAL A 52 -9.942 35.079 -27.042 1.00 72.23 H new ATOM 0 HG11 VAL A 52 -11.280 33.347 -28.161 1.00 12.43 H new ATOM 0 HG12 VAL A 52 -9.769 32.686 -27.491 1.00 12.43 H new ATOM 0 HG13 VAL A 52 -11.313 32.403 -26.653 1.00 12.43 H new ATOM 0 HG21 VAL A 52 -12.396 35.261 -27.070 1.00 52.13 H new ATOM 0 HG22 VAL A 52 -12.474 34.396 -25.516 1.00 52.13 H new ATOM 0 HG23 VAL A 52 -11.696 35.995 -25.607 1.00 52.13 H new ATOM 749 N GLU A 53 -7.634 34.078 -26.277 1.00 61.22 N ATOM 750 CA GLU A 53 -6.344 33.530 -26.678 1.00 21.42 C ATOM 751 C GLU A 53 -5.466 33.258 -25.461 1.00 43.33 C ATOM 752 O GLU A 53 -4.714 32.284 -25.430 1.00 43.11 O ATOM 753 CB GLU A 53 -5.629 34.493 -27.629 1.00 13.13 C ATOM 754 CG GLU A 53 -6.387 34.744 -28.923 1.00 1.41 C ATOM 755 CD GLU A 53 -5.486 35.231 -30.042 1.00 43.00 C ATOM 756 OE1 GLU A 53 -5.176 36.440 -30.068 1.00 21.32 O ATOM 757 OE2 GLU A 53 -5.092 34.404 -30.890 1.00 72.04 O ATOM 0 H GLU A 53 -7.838 35.001 -26.660 1.00 61.22 H new ATOM 0 HA GLU A 53 -6.524 32.587 -27.194 1.00 21.42 H new ATOM 0 HB2 GLU A 53 -5.471 35.444 -27.120 1.00 13.13 H new ATOM 0 HB3 GLU A 53 -4.644 34.092 -27.867 1.00 13.13 H new ATOM 0 HG2 GLU A 53 -6.882 33.824 -29.234 1.00 1.41 H new ATOM 0 HG3 GLU A 53 -7.169 35.482 -28.744 1.00 1.41 H new ATOM 762 N GLU A 54 -5.568 34.126 -24.458 1.00 21.14 N ATOM 763 CA GLU A 54 -4.782 33.978 -23.239 1.00 73.30 C ATOM 764 C GLU A 54 -5.154 32.695 -22.503 1.00 41.44 C ATOM 765 O GLU A 54 -4.296 32.024 -21.928 1.00 35.33 O ATOM 766 CB GLU A 54 -4.993 35.185 -22.321 1.00 52.21 C ATOM 767 CG GLU A 54 -4.197 35.114 -21.029 1.00 55.30 C ATOM 768 CD GLU A 54 -2.744 35.505 -21.218 1.00 41.25 C ATOM 769 OE1 GLU A 54 -2.398 35.989 -22.316 1.00 44.21 O ATOM 770 OE2 GLU A 54 -1.953 35.328 -20.267 1.00 0.54 O ATOM 0 H GLU A 54 -6.186 34.937 -24.466 1.00 21.14 H new ATOM 0 HA GLU A 54 -3.730 33.922 -23.520 1.00 73.30 H new ATOM 0 HB2 GLU A 54 -4.717 36.092 -22.858 1.00 52.21 H new ATOM 0 HB3 GLU A 54 -6.053 35.267 -22.081 1.00 52.21 H new ATOM 0 HG2 GLU A 54 -4.653 35.771 -20.289 1.00 55.30 H new ATOM 0 HG3 GLU A 54 -4.248 34.101 -20.630 1.00 55.30 H new ATOM 775 N CYS A 55 -6.439 32.359 -22.525 1.00 3.24 N ATOM 776 CA CYS A 55 -6.927 31.156 -21.859 1.00 32.03 C ATOM 777 C CYS A 55 -6.399 29.901 -22.549 1.00 60.20 C ATOM 778 O CYS A 55 -5.710 29.087 -21.935 1.00 43.33 O ATOM 779 CB CYS A 55 -8.456 31.140 -21.845 1.00 60.13 C ATOM 780 SG CYS A 55 -9.178 31.070 -20.189 1.00 21.02 S ATOM 0 H CYS A 55 -7.162 32.902 -22.997 1.00 3.24 H new ATOM 0 HA CYS A 55 -6.562 31.165 -20.832 1.00 32.03 H new ATOM 0 HB2 CYS A 55 -8.823 32.032 -22.352 1.00 60.13 H new ATOM 0 HB3 CYS A 55 -8.805 30.281 -22.419 1.00 60.13 H new ATOM 0 HG CYS A 55 -10.475 31.063 -20.281 1.00 21.02 H new ATOM 785 N VAL A 56 -6.730 29.751 -23.827 1.00 74.41 N ATOM 786 CA VAL A 56 -6.290 28.597 -24.600 1.00 2.42 C ATOM 787 C VAL A 56 -4.780 28.412 -24.502 1.00 21.42 C ATOM 788 O VAL A 56 -4.300 27.359 -24.083 1.00 12.20 O ATOM 789 CB VAL A 56 -6.685 28.730 -26.083 1.00 23.14 C ATOM 790 CG1 VAL A 56 -6.226 27.511 -26.869 1.00 11.15 C ATOM 791 CG2 VAL A 56 -8.187 28.928 -26.218 1.00 12.03 C ATOM 0 H VAL A 56 -7.302 30.415 -24.349 1.00 74.41 H new ATOM 0 HA VAL A 56 -6.788 27.725 -24.176 1.00 2.42 H new ATOM 0 HB VAL A 56 -6.188 29.607 -26.497 1.00 23.14 H new ATOM 0 HG11 VAL A 56 -6.514 27.623 -27.914 1.00 11.15 H new ATOM 0 HG12 VAL A 56 -5.142 27.420 -26.799 1.00 11.15 H new ATOM 0 HG13 VAL A 56 -6.693 26.616 -26.458 1.00 11.15 H new ATOM 0 HG21 VAL A 56 -8.449 29.020 -27.272 1.00 12.03 H new ATOM 0 HG22 VAL A 56 -8.707 28.072 -25.789 1.00 12.03 H new ATOM 0 HG23 VAL A 56 -8.483 29.834 -25.690 1.00 12.03 H new ATOM 801 N GLN A 57 -4.036 29.443 -24.891 1.00 53.31 N ATOM 802 CA GLN A 57 -2.580 29.394 -24.847 1.00 43.23 C ATOM 803 C GLN A 57 -2.091 28.964 -23.467 1.00 51.20 C ATOM 804 O GLN A 57 -1.411 27.948 -23.326 1.00 12.24 O ATOM 805 CB GLN A 57 -1.992 30.760 -25.206 1.00 2.33 C ATOM 806 CG GLN A 57 -0.559 30.691 -25.711 1.00 1.41 C ATOM 807 CD GLN A 57 -0.460 30.884 -27.212 1.00 41.00 C ATOM 808 OE1 GLN A 57 -0.888 31.907 -27.748 1.00 63.42 O ATOM 809 NE2 GLN A 57 0.106 29.899 -27.900 1.00 33.41 N ATOM 0 H GLN A 57 -4.418 30.322 -25.240 1.00 53.31 H new ATOM 0 HA GLN A 57 -2.244 28.658 -25.577 1.00 43.23 H new ATOM 0 HB2 GLN A 57 -2.616 31.226 -25.969 1.00 2.33 H new ATOM 0 HB3 GLN A 57 -2.028 31.404 -24.328 1.00 2.33 H new ATOM 0 HG2 GLN A 57 0.036 31.455 -25.210 1.00 1.41 H new ATOM 0 HG3 GLN A 57 -0.129 29.726 -25.443 1.00 1.41 H new ATOM 0 HE21 GLN A 57 0.447 29.069 -27.415 1.00 33.41 H new ATOM 0 HE22 GLN A 57 0.200 29.973 -28.913 1.00 33.41 H new ATOM 816 N LYS A 58 -2.443 29.745 -22.451 1.00 20.35 N ATOM 817 CA LYS A 58 -2.042 29.446 -21.081 1.00 24.43 C ATOM 818 C LYS A 58 -2.410 28.014 -20.708 1.00 65.34 C ATOM 819 O LYS A 58 -1.678 27.344 -19.978 1.00 23.22 O ATOM 820 CB LYS A 58 -2.703 30.425 -20.108 1.00 11.34 C ATOM 821 CG LYS A 58 -2.497 30.063 -18.648 1.00 74.33 C ATOM 822 CD LYS A 58 -3.681 29.289 -18.093 1.00 73.10 C ATOM 823 CE LYS A 58 -4.909 30.176 -17.952 1.00 72.15 C ATOM 824 NZ LYS A 58 -5.980 29.518 -17.153 1.00 1.44 N ATOM 0 H LYS A 58 -3.005 30.590 -22.551 1.00 20.35 H new ATOM 0 HA LYS A 58 -0.959 29.554 -21.014 1.00 24.43 H new ATOM 0 HB2 LYS A 58 -2.306 31.424 -20.285 1.00 11.34 H new ATOM 0 HB3 LYS A 58 -3.772 30.465 -20.316 1.00 11.34 H new ATOM 0 HG2 LYS A 58 -1.591 29.467 -18.544 1.00 74.33 H new ATOM 0 HG3 LYS A 58 -2.349 30.972 -18.064 1.00 74.33 H new ATOM 0 HD2 LYS A 58 -3.910 28.451 -18.751 1.00 73.10 H new ATOM 0 HD3 LYS A 58 -3.420 28.870 -17.121 1.00 73.10 H new ATOM 0 HE2 LYS A 58 -4.626 31.115 -17.476 1.00 72.15 H new ATOM 0 HE3 LYS A 58 -5.294 30.423 -18.941 1.00 72.15 H new ATOM 0 HZ1 LYS A 58 -6.799 30.154 -17.080 1.00 1.44 H new ATOM 0 HZ2 LYS A 58 -6.268 28.635 -17.620 1.00 1.44 H new ATOM 0 HZ3 LYS A 58 -5.621 29.305 -16.200 1.00 1.44 H new ATOM 834 N PHE A 59 -3.549 27.549 -21.212 1.00 65.52 N ATOM 835 CA PHE A 59 -4.013 26.196 -20.930 1.00 41.13 C ATOM 836 C PHE A 59 -2.920 25.173 -21.226 1.00 54.30 C ATOM 837 O PHE A 59 -2.678 24.261 -20.435 1.00 15.40 O ATOM 838 CB PHE A 59 -5.262 25.881 -21.757 1.00 1.02 C ATOM 839 CG PHE A 59 -6.163 24.863 -21.118 1.00 24.24 C ATOM 840 CD1 PHE A 59 -5.955 23.508 -21.327 1.00 52.14 C ATOM 841 CD2 PHE A 59 -7.216 25.259 -20.311 1.00 62.14 C ATOM 842 CE1 PHE A 59 -6.782 22.568 -20.740 1.00 22.33 C ATOM 843 CE2 PHE A 59 -8.045 24.324 -19.722 1.00 71.13 C ATOM 844 CZ PHE A 59 -7.829 22.977 -19.938 1.00 3.01 C ATOM 0 H PHE A 59 -4.167 28.089 -21.817 1.00 65.52 H new ATOM 0 HA PHE A 59 -4.263 26.137 -19.871 1.00 41.13 H new ATOM 0 HB2 PHE A 59 -5.823 26.801 -21.918 1.00 1.02 H new ATOM 0 HB3 PHE A 59 -4.956 25.519 -22.739 1.00 1.02 H new ATOM 0 HD1 PHE A 59 -5.138 23.183 -21.955 1.00 52.14 H new ATOM 0 HD2 PHE A 59 -7.391 26.311 -20.140 1.00 62.14 H new ATOM 0 HE1 PHE A 59 -6.609 21.515 -20.909 1.00 22.33 H new ATOM 0 HE2 PHE A 59 -8.862 24.646 -19.093 1.00 71.13 H new ATOM 0 HZ PHE A 59 -8.478 22.245 -19.480 1.00 3.01 H new ATOM 853 N ILE A 60 -2.266 25.331 -22.372 1.00 71.44 N ATOM 854 CA ILE A 60 -1.199 24.422 -22.773 1.00 22.11 C ATOM 855 C ILE A 60 0.058 24.647 -21.940 1.00 33.40 C ATOM 856 O ILE A 60 0.906 23.763 -21.827 1.00 62.24 O ATOM 857 CB ILE A 60 -0.850 24.587 -24.264 1.00 35.31 C ATOM 858 CG1 ILE A 60 -2.086 24.339 -25.130 1.00 11.45 C ATOM 859 CG2 ILE A 60 0.275 23.639 -24.652 1.00 13.34 C ATOM 860 CD1 ILE A 60 -1.957 24.879 -26.537 1.00 33.22 C ATOM 0 H ILE A 60 -2.456 26.079 -23.039 1.00 71.44 H new ATOM 0 HA ILE A 60 -1.567 23.410 -22.604 1.00 22.11 H new ATOM 0 HB ILE A 60 -0.512 25.609 -24.432 1.00 35.31 H new ATOM 0 HG12 ILE A 60 -2.277 23.267 -25.177 1.00 11.45 H new ATOM 0 HG13 ILE A 60 -2.952 24.797 -24.652 1.00 11.45 H new ATOM 0 HG21 ILE A 60 0.511 23.767 -25.708 1.00 13.34 H new ATOM 0 HG22 ILE A 60 1.159 23.859 -24.054 1.00 13.34 H new ATOM 0 HG23 ILE A 60 -0.038 22.610 -24.472 1.00 13.34 H new ATOM 0 HD11 ILE A 60 -2.870 24.667 -27.093 1.00 33.22 H new ATOM 0 HD12 ILE A 60 -1.797 25.956 -26.500 1.00 33.22 H new ATOM 0 HD13 ILE A 60 -1.111 24.403 -27.033 1.00 33.22 H new ATOM 871 N GLU A 61 0.170 25.838 -21.357 1.00 11.14 N ATOM 872 CA GLU A 61 1.323 26.179 -20.534 1.00 62.11 C ATOM 873 C GLU A 61 1.213 25.540 -19.152 1.00 2.15 C ATOM 874 O GLU A 61 2.117 24.829 -18.712 1.00 20.10 O ATOM 875 CB GLU A 61 1.449 27.697 -20.396 1.00 35.44 C ATOM 876 CG GLU A 61 2.447 28.316 -21.361 1.00 2.31 C ATOM 877 CD GLU A 61 2.722 29.776 -21.061 1.00 74.24 C ATOM 878 OE1 GLU A 61 3.187 30.074 -19.940 1.00 11.23 O ATOM 879 OE2 GLU A 61 2.470 30.621 -21.945 1.00 63.33 O ATOM 0 H GLU A 61 -0.524 26.581 -21.440 1.00 11.14 H new ATOM 0 HA GLU A 61 2.215 25.791 -21.026 1.00 62.11 H new ATOM 0 HB2 GLU A 61 0.471 28.150 -20.558 1.00 35.44 H new ATOM 0 HB3 GLU A 61 1.747 27.937 -19.375 1.00 35.44 H new ATOM 0 HG2 GLU A 61 3.382 27.758 -21.318 1.00 2.31 H new ATOM 0 HG3 GLU A 61 2.068 28.224 -22.379 1.00 2.31 H new ATOM 884 N ILE A 62 0.101 25.798 -18.474 1.00 43.20 N ATOM 885 CA ILE A 62 -0.129 25.248 -17.143 1.00 23.35 C ATOM 886 C ILE A 62 0.070 23.736 -17.133 1.00 41.14 C ATOM 887 O ILE A 62 0.632 23.180 -16.188 1.00 54.01 O ATOM 888 CB ILE A 62 -1.545 25.573 -16.636 1.00 72.43 C ATOM 889 CG1 ILE A 62 -2.590 25.154 -17.672 1.00 44.12 C ATOM 890 CG2 ILE A 62 -1.669 27.057 -16.322 1.00 23.24 C ATOM 891 CD1 ILE A 62 -4.004 25.531 -17.291 1.00 40.44 C ATOM 0 H ILE A 62 -0.656 26.385 -18.824 1.00 43.20 H new ATOM 0 HA ILE A 62 0.599 25.713 -16.478 1.00 23.35 H new ATOM 0 HB ILE A 62 -1.723 25.011 -15.719 1.00 72.43 H new ATOM 0 HG12 ILE A 62 -2.345 25.614 -18.629 1.00 44.12 H new ATOM 0 HG13 ILE A 62 -2.536 24.075 -17.814 1.00 44.12 H new ATOM 0 HG21 ILE A 62 -2.676 27.270 -15.965 1.00 23.24 H new ATOM 0 HG22 ILE A 62 -0.946 27.328 -15.552 1.00 23.24 H new ATOM 0 HG23 ILE A 62 -1.473 27.637 -17.224 1.00 23.24 H new ATOM 0 HD11 ILE A 62 -4.691 25.203 -18.071 1.00 40.44 H new ATOM 0 HD12 ILE A 62 -4.268 25.049 -16.349 1.00 40.44 H new ATOM 0 HD13 ILE A 62 -4.074 26.613 -17.177 1.00 40.44 H new ATOM 902 N ASP A 63 -0.394 23.077 -18.188 1.00 43.02 N ATOM 903 CA ASP A 63 -0.266 21.629 -18.302 1.00 25.43 C ATOM 904 C ASP A 63 1.137 21.242 -18.762 1.00 42.31 C ATOM 905 O ASP A 63 1.600 20.132 -18.503 1.00 21.12 O ATOM 906 CB ASP A 63 -1.306 21.078 -19.278 1.00 50.05 C ATOM 907 CG ASP A 63 -0.954 19.691 -19.779 1.00 63.13 C ATOM 908 OD1 ASP A 63 -0.866 18.764 -18.947 1.00 60.14 O ATOM 909 OD2 ASP A 63 -0.766 19.532 -21.003 1.00 35.21 O ATOM 0 H ASP A 63 -0.862 23.522 -18.977 1.00 43.02 H new ATOM 0 HA ASP A 63 -0.439 21.195 -17.317 1.00 25.43 H new ATOM 0 HB2 ASP A 63 -2.279 21.048 -18.788 1.00 50.05 H new ATOM 0 HB3 ASP A 63 -1.397 21.755 -20.127 1.00 50.05 H new ATOM 913 N GLN A 64 1.805 22.164 -19.447 1.00 51.04 N ATOM 914 CA GLN A 64 3.153 21.918 -19.945 1.00 71.22 C ATOM 915 C GLN A 64 4.079 21.480 -18.815 1.00 30.21 C ATOM 916 O GLN A 64 4.829 20.515 -18.953 1.00 41.51 O ATOM 917 CB GLN A 64 3.708 23.175 -20.618 1.00 21.03 C ATOM 918 CG GLN A 64 4.214 22.936 -22.032 1.00 43.13 C ATOM 919 CD GLN A 64 4.955 24.131 -22.596 1.00 12.24 C ATOM 920 OE1 GLN A 64 5.258 25.084 -21.877 1.00 11.25 O ATOM 921 NE2 GLN A 64 5.252 24.087 -23.890 1.00 50.41 N ATOM 0 H GLN A 64 1.435 23.088 -19.670 1.00 51.04 H new ATOM 0 HA GLN A 64 3.101 21.114 -20.680 1.00 71.22 H new ATOM 0 HB2 GLN A 64 2.929 23.937 -20.644 1.00 21.03 H new ATOM 0 HB3 GLN A 64 4.522 23.572 -20.012 1.00 21.03 H new ATOM 0 HG2 GLN A 64 4.874 22.069 -22.036 1.00 43.13 H new ATOM 0 HG3 GLN A 64 3.371 22.697 -22.680 1.00 43.13 H new ATOM 0 HE21 GLN A 64 4.982 23.277 -24.448 1.00 50.41 H new ATOM 0 HE22 GLN A 64 5.751 24.863 -24.325 1.00 50.41 H new ATOM 928 N ALA A 65 4.022 22.198 -17.698 1.00 41.12 N ATOM 929 CA ALA A 65 4.854 21.883 -16.544 1.00 2.53 C ATOM 930 C ALA A 65 4.202 20.814 -15.672 1.00 53.30 C ATOM 931 O ALA A 65 4.888 19.981 -15.080 1.00 54.45 O ATOM 932 CB ALA A 65 5.124 23.138 -15.729 1.00 34.42 C ATOM 0 H ALA A 65 3.408 23.002 -17.568 1.00 41.12 H new ATOM 0 HA ALA A 65 5.803 21.489 -16.909 1.00 2.53 H new ATOM 0 HB1 ALA A 65 5.747 22.887 -14.870 1.00 34.42 H new ATOM 0 HB2 ALA A 65 5.640 23.871 -16.350 1.00 34.42 H new ATOM 0 HB3 ALA A 65 4.179 23.557 -15.382 1.00 34.42 H new ATOM 938 N TRP A 66 2.876 20.845 -15.599 1.00 61.32 N ATOM 939 CA TRP A 66 2.133 19.879 -14.798 1.00 34.03 C ATOM 940 C TRP A 66 2.650 18.464 -15.035 1.00 55.03 C ATOM 941 O TRP A 66 2.734 17.661 -14.106 1.00 22.40 O ATOM 942 CB TRP A 66 0.641 19.953 -15.130 1.00 42.13 C ATOM 943 CG TRP A 66 -0.174 18.904 -14.436 1.00 64.31 C ATOM 944 CD1 TRP A 66 0.069 18.356 -13.208 1.00 22.12 C ATOM 945 CD2 TRP A 66 -1.361 18.275 -14.929 1.00 72.10 C ATOM 946 NE1 TRP A 66 -0.896 17.425 -12.909 1.00 2.24 N ATOM 947 CE2 TRP A 66 -1.786 17.357 -13.948 1.00 0.23 C ATOM 948 CE3 TRP A 66 -2.109 18.401 -16.103 1.00 45.41 C ATOM 949 CZ2 TRP A 66 -2.922 16.569 -14.109 1.00 54.53 C ATOM 950 CZ3 TRP A 66 -3.237 17.617 -16.261 1.00 52.35 C ATOM 951 CH2 TRP A 66 -3.635 16.712 -15.268 1.00 12.34 C ATOM 0 H TRP A 66 2.294 21.528 -16.084 1.00 61.32 H new ATOM 0 HA TRP A 66 2.277 20.127 -13.746 1.00 34.03 H new ATOM 0 HB2 TRP A 66 0.263 20.938 -14.855 1.00 42.13 H new ATOM 0 HB3 TRP A 66 0.510 19.851 -16.207 1.00 42.13 H new ATOM 0 HD1 TRP A 66 0.898 18.617 -12.567 1.00 22.12 H new ATOM 0 HE1 TRP A 66 -0.942 16.874 -12.052 1.00 2.24 H new ATOM 0 HE3 TRP A 66 -1.811 19.098 -16.873 1.00 45.41 H new ATOM 0 HZ2 TRP A 66 -3.230 15.869 -13.346 1.00 54.53 H new ATOM 0 HZ3 TRP A 66 -3.821 17.704 -17.165 1.00 52.35 H new ATOM 0 HH2 TRP A 66 -4.522 16.115 -15.421 1.00 12.34 H new ATOM 961 N LYS A 67 2.994 18.165 -16.282 1.00 34.12 N ATOM 962 CA LYS A 67 3.504 16.847 -16.641 1.00 32.24 C ATOM 963 C LYS A 67 5.028 16.818 -16.576 1.00 63.00 C ATOM 964 O LYS A 67 5.610 16.063 -15.796 1.00 35.44 O ATOM 965 CB LYS A 67 3.035 16.461 -18.046 1.00 62.34 C ATOM 966 CG LYS A 67 1.558 16.116 -18.120 1.00 14.13 C ATOM 967 CD LYS A 67 1.228 14.892 -17.281 1.00 11.12 C ATOM 968 CE LYS A 67 0.466 15.270 -16.021 1.00 41.32 C ATOM 969 NZ LYS A 67 -0.531 14.229 -15.642 1.00 22.32 N ATOM 0 H LYS A 67 2.929 18.818 -17.063 1.00 34.12 H new ATOM 0 HA LYS A 67 3.113 16.125 -15.924 1.00 32.24 H new ATOM 0 HB2 LYS A 67 3.242 17.285 -18.728 1.00 62.34 H new ATOM 0 HB3 LYS A 67 3.617 15.607 -18.392 1.00 62.34 H new ATOM 0 HG2 LYS A 67 0.968 16.965 -17.775 1.00 14.13 H new ATOM 0 HG3 LYS A 67 1.278 15.933 -19.157 1.00 14.13 H new ATOM 0 HD2 LYS A 67 0.634 14.194 -17.871 1.00 11.12 H new ATOM 0 HD3 LYS A 67 2.149 14.376 -17.010 1.00 11.12 H new ATOM 0 HE2 LYS A 67 1.169 15.415 -15.201 1.00 41.32 H new ATOM 0 HE3 LYS A 67 -0.043 16.221 -16.176 1.00 41.32 H new ATOM 0 HZ1 LYS A 67 -1.255 14.650 -15.025 1.00 22.32 H new ATOM 0 HZ2 LYS A 67 -0.983 13.853 -16.500 1.00 22.32 H new ATOM 0 HZ3 LYS A 67 -0.052 13.457 -15.136 1.00 22.32 H new ATOM 979 N ILE A 68 5.667 17.644 -17.398 1.00 4.34 N ATOM 980 CA ILE A 68 7.122 17.713 -17.432 1.00 0.11 C ATOM 981 C ILE A 68 7.646 18.747 -16.442 1.00 34.40 C ATOM 982 O ILE A 68 8.416 19.638 -16.807 1.00 15.35 O ATOM 983 CB ILE A 68 7.637 18.059 -18.842 1.00 61.22 C ATOM 984 CG1 ILE A 68 6.908 17.223 -19.894 1.00 14.33 C ATOM 985 CG2 ILE A 68 9.139 17.834 -18.926 1.00 33.44 C ATOM 986 CD1 ILE A 68 5.682 17.903 -20.463 1.00 41.20 C ATOM 0 H ILE A 68 5.199 18.275 -18.049 1.00 4.34 H new ATOM 0 HA ILE A 68 7.492 16.726 -17.152 1.00 0.11 H new ATOM 0 HB ILE A 68 7.435 19.112 -19.039 1.00 61.22 H new ATOM 0 HG12 ILE A 68 7.597 16.995 -20.707 1.00 14.33 H new ATOM 0 HG13 ILE A 68 6.613 16.272 -19.450 1.00 14.33 H new ATOM 0 HG21 ILE A 68 9.489 18.083 -19.928 1.00 33.44 H new ATOM 0 HG22 ILE A 68 9.643 18.469 -18.198 1.00 33.44 H new ATOM 0 HG23 ILE A 68 9.363 16.789 -18.713 1.00 33.44 H new ATOM 0 HD11 ILE A 68 5.215 17.252 -21.203 1.00 41.20 H new ATOM 0 HD12 ILE A 68 4.973 18.106 -19.660 1.00 41.20 H new ATOM 0 HD13 ILE A 68 5.973 18.841 -20.936 1.00 41.20 H new ATOM 997 N LEU A 69 7.226 18.626 -15.189 1.00 51.13 N ATOM 998 CA LEU A 69 7.654 19.550 -14.144 1.00 54.25 C ATOM 999 C LEU A 69 9.165 19.750 -14.180 1.00 11.32 C ATOM 1000 O LEU A 69 9.664 20.838 -13.897 1.00 22.22 O ATOM 1001 CB LEU A 69 7.229 19.029 -12.770 1.00 70.43 C ATOM 1002 CG LEU A 69 5.747 18.686 -12.610 1.00 4.34 C ATOM 1003 CD1 LEU A 69 5.567 17.558 -11.608 1.00 45.42 C ATOM 1004 CD2 LEU A 69 4.958 19.915 -12.182 1.00 2.20 C ATOM 0 H LEU A 69 6.588 17.896 -14.870 1.00 51.13 H new ATOM 0 HA LEU A 69 7.175 20.512 -14.325 1.00 54.25 H new ATOM 0 HB2 LEU A 69 7.814 18.137 -12.545 1.00 70.43 H new ATOM 0 HB3 LEU A 69 7.490 19.778 -12.023 1.00 70.43 H new ATOM 0 HG LEU A 69 5.364 18.352 -13.574 1.00 4.34 H new ATOM 0 HD11 LEU A 69 4.507 17.327 -11.507 1.00 45.42 H new ATOM 0 HD12 LEU A 69 6.099 16.673 -11.957 1.00 45.42 H new ATOM 0 HD13 LEU A 69 5.966 17.864 -10.641 1.00 45.42 H new ATOM 0 HD21 LEU A 69 3.906 19.652 -12.073 1.00 2.20 H new ATOM 0 HD22 LEU A 69 5.341 20.280 -11.229 1.00 2.20 H new ATOM 0 HD23 LEU A 69 5.061 20.695 -12.937 1.00 2.20 H new ATOM 1015 N GLY A 70 9.889 18.692 -14.534 1.00 63.21 N ATOM 1016 CA GLY A 70 11.336 18.773 -14.603 1.00 65.53 C ATOM 1017 C GLY A 70 11.893 18.138 -15.861 1.00 11.15 C ATOM 1018 O GLY A 70 11.277 18.207 -16.924 1.00 62.11 O ATOM 0 H GLY A 70 9.499 17.781 -14.774 1.00 63.21 H new ATOM 0 HA2 GLY A 70 11.641 19.819 -14.562 1.00 65.53 H new ATOM 0 HA3 GLY A 70 11.766 18.281 -13.730 1.00 65.53 H new ATOM 1022 N ASN A 71 13.064 17.520 -15.743 1.00 42.24 N ATOM 1023 CA ASN A 71 13.705 16.872 -16.881 1.00 51.41 C ATOM 1024 C ASN A 71 12.764 15.864 -17.535 1.00 54.05 C ATOM 1025 O ASN A 71 11.720 15.524 -16.978 1.00 2.22 O ATOM 1026 CB ASN A 71 14.992 16.173 -16.438 1.00 14.21 C ATOM 1027 CG ASN A 71 14.848 15.499 -15.088 1.00 42.22 C ATOM 1028 OD1 ASN A 71 15.525 15.862 -14.125 1.00 4.21 O ATOM 1029 ND2 ASN A 71 13.963 14.512 -15.010 1.00 51.22 N ATOM 0 H ASN A 71 13.588 17.455 -14.870 1.00 42.24 H new ATOM 0 HA ASN A 71 13.951 17.641 -17.614 1.00 51.41 H new ATOM 0 HB2 ASN A 71 15.274 15.430 -17.184 1.00 14.21 H new ATOM 0 HB3 ASN A 71 15.801 16.902 -16.393 1.00 14.21 H new ATOM 0 HD21 ASN A 71 13.823 14.022 -14.127 1.00 51.22 H new ATOM 0 HD22 ASN A 71 13.424 14.244 -15.833 1.00 51.22 H new ATOM 1035 N GLU A 72 13.142 15.391 -18.718 1.00 44.25 N ATOM 1036 CA GLU A 72 12.332 14.421 -19.446 1.00 72.42 C ATOM 1037 C GLU A 72 12.124 13.155 -18.620 1.00 22.12 C ATOM 1038 O GLU A 72 11.171 12.409 -18.840 1.00 1.35 O ATOM 1039 CB GLU A 72 12.993 14.071 -20.781 1.00 40.10 C ATOM 1040 CG GLU A 72 13.256 15.277 -21.665 1.00 34.34 C ATOM 1041 CD GLU A 72 14.459 15.087 -22.569 1.00 30.02 C ATOM 1042 OE1 GLU A 72 14.288 14.529 -23.673 1.00 40.53 O ATOM 1043 OE2 GLU A 72 15.570 15.496 -22.173 1.00 13.13 O ATOM 0 H GLU A 72 14.003 15.663 -19.192 1.00 44.25 H new ATOM 0 HA GLU A 72 11.358 14.871 -19.638 1.00 72.42 H new ATOM 0 HB2 GLU A 72 13.937 13.561 -20.587 1.00 40.10 H new ATOM 0 HB3 GLU A 72 12.356 13.369 -21.319 1.00 40.10 H new ATOM 0 HG2 GLU A 72 12.375 15.474 -22.276 1.00 34.34 H new ATOM 0 HG3 GLU A 72 13.412 16.155 -21.038 1.00 34.34 H new ATOM 1048 N GLU A 73 13.024 12.921 -17.671 1.00 73.25 N ATOM 1049 CA GLU A 73 12.940 11.744 -16.813 1.00 74.25 C ATOM 1050 C GLU A 73 11.705 11.809 -15.920 1.00 53.44 C ATOM 1051 O GLU A 73 11.304 10.811 -15.320 1.00 34.21 O ATOM 1052 CB GLU A 73 14.200 11.622 -15.952 1.00 13.11 C ATOM 1053 CG GLU A 73 14.887 10.273 -16.068 1.00 43.30 C ATOM 1054 CD GLU A 73 16.399 10.386 -16.067 1.00 65.02 C ATOM 1055 OE1 GLU A 73 16.919 11.389 -15.535 1.00 2.41 O ATOM 1056 OE2 GLU A 73 17.062 9.470 -16.598 1.00 44.14 O ATOM 0 H GLU A 73 13.819 13.530 -17.476 1.00 73.25 H new ATOM 0 HA GLU A 73 12.859 10.865 -17.452 1.00 74.25 H new ATOM 0 HB2 GLU A 73 14.903 12.404 -16.239 1.00 13.11 H new ATOM 0 HB3 GLU A 73 13.936 11.797 -14.909 1.00 13.11 H new ATOM 0 HG2 GLU A 73 14.573 9.637 -15.240 1.00 43.30 H new ATOM 0 HG3 GLU A 73 14.564 9.783 -16.986 1.00 43.30 H new ATOM 1127 N TYR A 78 5.369 12.036 -21.762 1.00 24.31 N ATOM 1128 CA TYR A 78 5.827 13.096 -22.652 1.00 33.21 C ATOM 1129 C TYR A 78 7.249 12.825 -23.135 1.00 64.35 C ATOM 1130 O TYR A 78 7.627 13.218 -24.238 1.00 1.24 O ATOM 1131 CB TYR A 78 5.767 14.449 -21.942 1.00 34.05 C ATOM 1132 CG TYR A 78 4.662 15.349 -22.447 1.00 12.31 C ATOM 1133 CD1 TYR A 78 4.856 16.167 -23.553 1.00 33.31 C ATOM 1134 CD2 TYR A 78 3.423 15.381 -21.818 1.00 35.42 C ATOM 1135 CE1 TYR A 78 3.849 16.992 -24.018 1.00 22.33 C ATOM 1136 CE2 TYR A 78 2.410 16.201 -22.277 1.00 53.11 C ATOM 1137 CZ TYR A 78 2.628 17.005 -23.377 1.00 3.21 C ATOM 1138 OH TYR A 78 1.623 17.824 -23.836 1.00 43.24 O ATOM 0 HA TYR A 78 5.166 13.119 -23.518 1.00 33.21 H new ATOM 0 HB2 TYR A 78 5.630 14.283 -20.873 1.00 34.05 H new ATOM 0 HB3 TYR A 78 6.723 14.957 -22.065 1.00 34.05 H new ATOM 0 HD1 TYR A 78 5.810 16.158 -24.058 1.00 33.31 H new ATOM 0 HD2 TYR A 78 3.249 14.754 -20.956 1.00 35.42 H new ATOM 0 HE1 TYR A 78 4.017 17.623 -24.878 1.00 22.33 H new ATOM 0 HE2 TYR A 78 1.453 16.213 -21.777 1.00 53.11 H new ATOM 0 HH TYR A 78 0.828 17.713 -23.274 1.00 43.24 H new ATOM 1147 N ASP A 79 8.031 12.151 -22.299 1.00 22.22 N ATOM 1148 CA ASP A 79 9.412 11.826 -22.639 1.00 11.44 C ATOM 1149 C ASP A 79 9.478 11.024 -23.936 1.00 73.44 C ATOM 1150 O ASP A 79 9.961 11.515 -24.957 1.00 12.11 O ATOM 1151 CB ASP A 79 10.066 11.037 -21.504 1.00 23.13 C ATOM 1152 CG ASP A 79 11.579 11.031 -21.601 1.00 30.31 C ATOM 1153 OD1 ASP A 79 12.110 11.506 -22.626 1.00 33.45 O ATOM 1154 OD2 ASP A 79 12.233 10.550 -20.651 1.00 0.32 O ATOM 0 H ASP A 79 7.733 11.819 -21.382 1.00 22.22 H new ATOM 0 HA ASP A 79 9.955 12.760 -22.782 1.00 11.44 H new ATOM 0 HB2 ASP A 79 9.768 11.467 -20.548 1.00 23.13 H new ATOM 0 HB3 ASP A 79 9.700 10.011 -21.521 1.00 23.13 H new ATOM 1158 N LEU A 80 8.989 9.790 -23.888 1.00 61.11 N ATOM 1159 CA LEU A 80 8.993 8.920 -25.059 1.00 60.11 C ATOM 1160 C LEU A 80 8.250 9.569 -26.222 1.00 23.13 C ATOM 1161 O LEU A 80 8.496 9.247 -27.384 1.00 21.54 O ATOM 1162 CB LEU A 80 8.354 7.573 -24.719 1.00 3.31 C ATOM 1163 CG LEU A 80 9.245 6.343 -24.899 1.00 50.10 C ATOM 1164 CD1 LEU A 80 9.889 5.952 -23.578 1.00 73.25 C ATOM 1165 CD2 LEU A 80 8.443 5.181 -25.467 1.00 74.42 C ATOM 0 H LEU A 80 8.585 9.369 -23.051 1.00 61.11 H new ATOM 0 HA LEU A 80 10.029 8.759 -25.358 1.00 60.11 H new ATOM 0 HB2 LEU A 80 8.017 7.604 -23.683 1.00 3.31 H new ATOM 0 HB3 LEU A 80 7.466 7.448 -25.339 1.00 3.31 H new ATOM 0 HG LEU A 80 10.036 6.593 -25.606 1.00 50.10 H new ATOM 0 HD11 LEU A 80 10.519 5.075 -23.726 1.00 73.25 H new ATOM 0 HD12 LEU A 80 10.498 6.778 -23.211 1.00 73.25 H new ATOM 0 HD13 LEU A 80 9.112 5.722 -22.849 1.00 73.25 H new ATOM 0 HD21 LEU A 80 9.093 4.315 -25.588 1.00 74.42 H new ATOM 0 HD22 LEU A 80 7.630 4.932 -24.785 1.00 74.42 H new ATOM 0 HD23 LEU A 80 8.030 5.463 -26.436 1.00 74.42 H new ATOM 1176 N GLN A 81 7.343 10.484 -25.900 1.00 75.03 N ATOM 1177 CA GLN A 81 6.565 11.179 -26.920 1.00 73.45 C ATOM 1178 C GLN A 81 7.476 11.779 -27.985 1.00 24.41 C ATOM 1179 O GLN A 81 7.417 11.397 -29.154 1.00 4.41 O ATOM 1180 CB GLN A 81 5.715 12.280 -26.281 1.00 30.22 C ATOM 1181 CG GLN A 81 4.247 12.218 -26.670 1.00 21.23 C ATOM 1182 CD GLN A 81 3.725 13.542 -27.191 1.00 72.44 C ATOM 1183 OE1 GLN A 81 3.349 14.423 -26.416 1.00 24.52 O ATOM 1184 NE2 GLN A 81 3.698 13.691 -28.510 1.00 33.30 N ATOM 0 H GLN A 81 7.128 10.762 -24.942 1.00 75.03 H new ATOM 0 HA GLN A 81 5.908 10.452 -27.397 1.00 73.45 H new ATOM 0 HB2 GLN A 81 5.798 12.208 -25.197 1.00 30.22 H new ATOM 0 HB3 GLN A 81 6.118 13.251 -26.568 1.00 30.22 H new ATOM 0 HG2 GLN A 81 4.109 11.452 -27.433 1.00 21.23 H new ATOM 0 HG3 GLN A 81 3.658 11.915 -25.804 1.00 21.23 H new ATOM 0 HE21 GLN A 81 4.019 12.935 -29.115 1.00 33.30 H new ATOM 0 HE22 GLN A 81 3.356 14.561 -28.918 1.00 33.30 H new ATOM 1191 N ARG A 82 8.320 12.720 -27.574 1.00 33.22 N ATOM 1192 CA ARG A 82 9.243 13.373 -28.494 1.00 35.32 C ATOM 1193 C ARG A 82 10.276 12.383 -29.024 1.00 42.53 C ATOM 1194 O ARG A 82 10.844 12.578 -30.099 1.00 51.22 O ATOM 1195 CB ARG A 82 9.950 14.539 -27.800 1.00 72.11 C ATOM 1196 CG ARG A 82 9.231 15.869 -27.960 1.00 23.31 C ATOM 1197 CD ARG A 82 9.911 16.749 -28.997 1.00 1.44 C ATOM 1198 NE ARG A 82 9.105 17.918 -29.338 1.00 40.43 N ATOM 1199 CZ ARG A 82 9.470 18.827 -30.234 1.00 12.14 C ATOM 1200 NH1 ARG A 82 10.622 18.702 -30.878 1.00 12.35 N ATOM 1201 NH2 ARG A 82 8.682 19.863 -30.490 1.00 43.44 N ATOM 0 H ARG A 82 8.383 13.047 -26.610 1.00 33.22 H new ATOM 0 HA ARG A 82 8.666 13.755 -29.336 1.00 35.32 H new ATOM 0 HB2 ARG A 82 10.047 14.314 -26.738 1.00 72.11 H new ATOM 0 HB3 ARG A 82 10.960 14.631 -28.200 1.00 72.11 H new ATOM 0 HG2 ARG A 82 8.197 15.691 -28.254 1.00 23.31 H new ATOM 0 HG3 ARG A 82 9.205 16.388 -27.002 1.00 23.31 H new ATOM 0 HD2 ARG A 82 10.879 17.075 -28.617 1.00 1.44 H new ATOM 0 HD3 ARG A 82 10.102 16.166 -29.898 1.00 1.44 H new ATOM 0 HE ARG A 82 8.212 18.043 -28.861 1.00 40.43 H new ATOM 0 HH11 ARG A 82 11.230 17.906 -30.686 1.00 12.35 H new ATOM 0 HH12 ARG A 82 10.900 19.402 -31.566 1.00 12.35 H new ATOM 0 HH21 ARG A 82 7.794 19.962 -29.998 1.00 43.44 H new ATOM 0 HH22 ARG A 82 8.964 20.560 -31.179 1.00 43.44 H new ATOM 1212 N CYS A 83 10.513 11.321 -28.262 1.00 4.41 N ATOM 1213 CA CYS A 83 11.477 10.299 -28.654 1.00 4.32 C ATOM 1214 C CYS A 83 11.000 9.545 -29.891 1.00 34.32 C ATOM 1215 O CYS A 83 11.656 9.564 -30.932 1.00 35.13 O ATOM 1216 CB CYS A 83 11.708 9.318 -27.503 1.00 21.33 C ATOM 1217 SG CYS A 83 12.476 10.060 -26.043 1.00 13.12 S ATOM 0 H CYS A 83 10.051 11.145 -27.370 1.00 4.41 H new ATOM 0 HA CYS A 83 12.417 10.796 -28.894 1.00 4.32 H new ATOM 0 HB2 CYS A 83 10.752 8.881 -27.215 1.00 21.33 H new ATOM 0 HB3 CYS A 83 12.338 8.502 -27.856 1.00 21.33 H new ATOM 0 HG CYS A 83 11.585 10.736 -25.380 1.00 13.12 H new ATOM 1222 N GLU A 84 9.854 8.883 -29.769 1.00 14.14 N ATOM 1223 CA GLU A 84 9.291 8.122 -30.878 1.00 54.24 C ATOM 1224 C GLU A 84 9.156 8.993 -32.124 1.00 32.23 C ATOM 1225 O GLU A 84 9.207 8.497 -33.249 1.00 32.12 O ATOM 1226 CB GLU A 84 7.924 7.551 -30.492 1.00 14.33 C ATOM 1227 CG GLU A 84 7.975 6.596 -29.311 1.00 13.13 C ATOM 1228 CD GLU A 84 6.596 6.193 -28.827 1.00 15.14 C ATOM 1229 OE1 GLU A 84 5.654 6.998 -28.985 1.00 41.45 O ATOM 1230 OE2 GLU A 84 6.458 5.073 -28.292 1.00 60.50 O ATOM 0 H GLU A 84 9.298 8.858 -28.914 1.00 14.14 H new ATOM 0 HA GLU A 84 9.971 7.300 -31.102 1.00 54.24 H new ATOM 0 HB2 GLU A 84 7.250 8.374 -30.254 1.00 14.33 H new ATOM 0 HB3 GLU A 84 7.501 7.031 -31.351 1.00 14.33 H new ATOM 0 HG2 GLU A 84 8.532 5.703 -29.595 1.00 13.13 H new ATOM 0 HG3 GLU A 84 8.521 7.065 -28.492 1.00 13.13 H new ATOM 1235 N ASP A 85 8.985 10.294 -31.913 1.00 4.32 N ATOM 1236 CA ASP A 85 8.845 11.235 -33.018 1.00 3.52 C ATOM 1237 C ASP A 85 10.211 11.657 -33.550 1.00 51.15 C ATOM 1238 O ASP A 85 10.357 11.975 -34.730 1.00 24.23 O ATOM 1239 CB ASP A 85 8.055 12.466 -32.570 1.00 22.14 C ATOM 1240 CG ASP A 85 7.383 13.176 -33.728 1.00 53.21 C ATOM 1241 OD1 ASP A 85 7.877 13.050 -34.869 1.00 51.12 O ATOM 1242 OD2 ASP A 85 6.362 13.857 -33.495 1.00 3.20 O ATOM 0 H ASP A 85 8.940 10.720 -30.987 1.00 4.32 H new ATOM 0 HA ASP A 85 8.302 10.736 -33.821 1.00 3.52 H new ATOM 0 HB2 ASP A 85 7.299 12.165 -31.845 1.00 22.14 H new ATOM 0 HB3 ASP A 85 8.726 13.159 -32.062 1.00 22.14 H new ATOM 1246 N ASP A 86 11.207 11.659 -32.672 1.00 64.14 N ATOM 1247 CA ASP A 86 12.561 12.041 -33.052 1.00 61.42 C ATOM 1248 C ASP A 86 13.301 10.867 -33.685 1.00 15.41 C ATOM 1249 O ASP A 86 14.287 11.052 -34.399 1.00 21.21 O ATOM 1250 CB ASP A 86 13.333 12.548 -31.832 1.00 15.23 C ATOM 1251 CG ASP A 86 14.719 13.048 -32.191 1.00 50.20 C ATOM 1252 OD1 ASP A 86 15.619 12.207 -32.389 1.00 1.03 O ATOM 1253 OD2 ASP A 86 14.903 14.281 -32.272 1.00 4.24 O ATOM 0 H ASP A 86 11.102 11.400 -31.691 1.00 64.14 H new ATOM 0 HA ASP A 86 12.492 12.842 -33.788 1.00 61.42 H new ATOM 0 HB2 ASP A 86 12.771 13.353 -31.359 1.00 15.23 H new ATOM 0 HB3 ASP A 86 13.418 11.745 -31.100 1.00 15.23 H new ATOM 1257 N LEU A 87 12.819 9.659 -33.418 1.00 4.22 N ATOM 1258 CA LEU A 87 13.435 8.452 -33.960 1.00 52.31 C ATOM 1259 C LEU A 87 12.980 8.206 -35.396 1.00 74.24 C ATOM 1260 O LEU A 87 13.787 7.885 -36.267 1.00 63.02 O ATOM 1261 CB LEU A 87 13.089 7.243 -33.090 1.00 40.34 C ATOM 1262 CG LEU A 87 13.834 5.947 -33.413 1.00 70.15 C ATOM 1263 CD1 LEU A 87 15.206 5.943 -32.757 1.00 50.42 C ATOM 1264 CD2 LEU A 87 13.023 4.740 -32.965 1.00 14.31 C ATOM 0 H LEU A 87 12.004 9.488 -32.830 1.00 4.22 H new ATOM 0 HA LEU A 87 14.516 8.594 -33.959 1.00 52.31 H new ATOM 0 HB2 LEU A 87 13.285 7.502 -32.049 1.00 40.34 H new ATOM 0 HB3 LEU A 87 12.019 7.054 -33.175 1.00 40.34 H new ATOM 0 HG LEU A 87 13.970 5.888 -34.493 1.00 70.15 H new ATOM 0 HD11 LEU A 87 15.722 5.013 -32.998 1.00 50.42 H new ATOM 0 HD12 LEU A 87 15.788 6.787 -33.126 1.00 50.42 H new ATOM 0 HD13 LEU A 87 15.093 6.026 -31.676 1.00 50.42 H new ATOM 0 HD21 LEU A 87 13.568 3.827 -33.203 1.00 14.31 H new ATOM 0 HD22 LEU A 87 12.856 4.793 -31.889 1.00 14.31 H new ATOM 0 HD23 LEU A 87 12.063 4.734 -33.482 1.00 14.31 H new ATOM 1275 N ARG A 88 11.682 8.363 -35.634 1.00 51.21 N ATOM 1276 CA ARG A 88 11.119 8.159 -36.963 1.00 51.21 C ATOM 1277 C ARG A 88 11.561 9.266 -37.916 1.00 54.43 C ATOM 1278 O ARG A 88 11.595 9.077 -39.131 1.00 24.10 O ATOM 1279 CB ARG A 88 9.592 8.111 -36.892 1.00 32.13 C ATOM 1280 CG ARG A 88 8.966 7.145 -37.885 1.00 1.33 C ATOM 1281 CD ARG A 88 7.717 6.492 -37.315 1.00 62.11 C ATOM 1282 NE ARG A 88 6.756 6.145 -38.358 1.00 14.25 N ATOM 1283 CZ ARG A 88 5.630 5.478 -38.129 1.00 63.15 C ATOM 1284 NH1 ARG A 88 5.325 5.088 -36.898 1.00 31.24 N ATOM 1285 NH2 ARG A 88 4.806 5.200 -39.131 1.00 70.22 N ATOM 0 H ARG A 88 11.001 8.631 -34.924 1.00 51.21 H new ATOM 0 HA ARG A 88 11.487 7.207 -37.344 1.00 51.21 H new ATOM 0 HB2 ARG A 88 9.292 7.827 -35.883 1.00 32.13 H new ATOM 0 HB3 ARG A 88 9.197 9.111 -37.072 1.00 32.13 H new ATOM 0 HG2 ARG A 88 8.713 7.677 -38.802 1.00 1.33 H new ATOM 0 HG3 ARG A 88 9.691 6.376 -38.152 1.00 1.33 H new ATOM 0 HD2 ARG A 88 7.997 5.593 -36.766 1.00 62.11 H new ATOM 0 HD3 ARG A 88 7.248 7.169 -36.601 1.00 62.11 H new ATOM 0 HE ARG A 88 6.960 6.431 -39.316 1.00 14.25 H new ATOM 0 HH11 ARG A 88 5.956 5.300 -36.125 1.00 31.24 H new ATOM 0 HH12 ARG A 88 4.460 4.576 -36.725 1.00 31.24 H new ATOM 0 HH21 ARG A 88 5.037 5.498 -40.079 1.00 70.22 H new ATOM 0 HH22 ARG A 88 3.942 4.688 -38.954 1.00 70.22 H new ATOM 1359 N ASP A 94 22.187 7.187 -43.066 1.00 3.41 N ATOM 1360 CA ASP A 94 23.434 6.437 -42.975 1.00 51.02 C ATOM 1361 C ASP A 94 24.172 6.446 -44.310 1.00 1.01 C ATOM 1362 O ASP A 94 23.659 5.961 -45.318 1.00 31.12 O ATOM 1363 CB ASP A 94 23.157 4.996 -42.541 1.00 22.34 C ATOM 1364 CG ASP A 94 21.943 4.407 -43.231 1.00 53.22 C ATOM 1365 OD1 ASP A 94 22.100 3.858 -44.341 1.00 1.13 O ATOM 1366 OD2 ASP A 94 20.835 4.496 -42.662 1.00 65.03 O ATOM 0 HA ASP A 94 24.065 6.918 -42.228 1.00 51.02 H new ATOM 0 HB2 ASP A 94 24.030 4.380 -42.759 1.00 22.34 H new ATOM 0 HB3 ASP A 94 23.008 4.967 -41.462 1.00 22.34 H new ATOM 1370 N ALA A 95 25.379 7.002 -44.309 1.00 71.32 N ATOM 1371 CA ALA A 95 26.189 7.074 -45.519 1.00 14.15 C ATOM 1372 C ALA A 95 27.531 6.378 -45.324 1.00 32.12 C ATOM 1373 O ALA A 95 27.798 5.812 -44.265 1.00 11.52 O ATOM 1374 CB ALA A 95 26.398 8.526 -45.928 1.00 4.34 C ATOM 0 H ALA A 95 25.818 7.409 -43.483 1.00 71.32 H new ATOM 0 HA ALA A 95 25.655 6.557 -46.316 1.00 14.15 H new ATOM 0 HB1 ALA A 95 27.004 8.565 -46.833 1.00 4.34 H new ATOM 0 HB2 ALA A 95 25.432 8.993 -46.118 1.00 4.34 H new ATOM 0 HB3 ALA A 95 26.908 9.060 -45.126 1.00 4.34 H new ATOM 1380 N GLN A 96 28.372 6.425 -46.353 1.00 31.50 N ATOM 1381 CA GLN A 96 29.686 5.798 -46.293 1.00 23.43 C ATOM 1382 C GLN A 96 30.743 6.790 -45.818 1.00 72.24 C ATOM 1383 O GLN A 96 30.675 7.980 -46.125 1.00 40.04 O ATOM 1384 CB GLN A 96 30.072 5.243 -47.666 1.00 44.11 C ATOM 1385 CG GLN A 96 30.222 6.314 -48.734 1.00 1.02 C ATOM 1386 CD GLN A 96 28.920 6.608 -49.451 1.00 15.50 C ATOM 1387 OE1 GLN A 96 28.215 5.695 -49.883 1.00 15.15 O ATOM 1388 NE2 GLN A 96 28.591 7.888 -49.581 1.00 12.24 N ATOM 0 H GLN A 96 28.166 6.890 -47.237 1.00 31.50 H new ATOM 0 HA GLN A 96 29.636 4.978 -45.577 1.00 23.43 H new ATOM 0 HB2 GLN A 96 31.011 4.696 -47.577 1.00 44.11 H new ATOM 0 HB3 GLN A 96 29.315 4.527 -47.985 1.00 44.11 H new ATOM 0 HG2 GLN A 96 30.595 7.230 -48.275 1.00 1.02 H new ATOM 0 HG3 GLN A 96 30.969 5.995 -49.461 1.00 1.02 H new ATOM 0 HE21 GLN A 96 29.204 8.613 -49.208 1.00 12.24 H new ATOM 0 HE22 GLN A 96 27.725 8.146 -50.054 1.00 12.24 H new ATOM 1395 N VAL A 97 31.719 6.292 -45.065 1.00 53.24 N ATOM 1396 CA VAL A 97 32.790 7.134 -44.547 1.00 33.44 C ATOM 1397 C VAL A 97 34.139 6.730 -45.131 1.00 13.32 C ATOM 1398 O VAL A 97 34.429 5.544 -45.286 1.00 64.33 O ATOM 1399 CB VAL A 97 32.866 7.064 -43.010 1.00 22.25 C ATOM 1400 CG1 VAL A 97 33.040 5.624 -42.550 1.00 14.31 C ATOM 1401 CG2 VAL A 97 34.000 7.938 -42.494 1.00 44.13 C ATOM 0 H VAL A 97 31.790 5.309 -44.800 1.00 53.24 H new ATOM 0 HA VAL A 97 32.560 8.157 -44.846 1.00 33.44 H new ATOM 0 HB VAL A 97 31.930 7.441 -42.598 1.00 22.25 H new ATOM 0 HG11 VAL A 97 33.092 5.593 -41.462 1.00 14.31 H new ATOM 0 HG12 VAL A 97 32.193 5.029 -42.890 1.00 14.31 H new ATOM 0 HG13 VAL A 97 33.960 5.217 -42.969 1.00 14.31 H new ATOM 0 HG21 VAL A 97 34.040 7.877 -41.406 1.00 44.13 H new ATOM 0 HG22 VAL A 97 34.945 7.592 -42.912 1.00 44.13 H new ATOM 0 HG23 VAL A 97 33.828 8.972 -42.794 1.00 44.13 H new ATOM 1411 N TYR A 98 34.959 7.724 -45.455 1.00 64.34 N ATOM 1412 CA TYR A 98 36.278 7.471 -46.024 1.00 54.11 C ATOM 1413 C TYR A 98 37.314 7.255 -44.926 1.00 44.35 C ATOM 1414 O TYR A 98 37.459 8.078 -44.021 1.00 12.10 O ATOM 1415 CB TYR A 98 36.702 8.638 -46.917 1.00 70.30 C ATOM 1416 CG TYR A 98 35.841 8.802 -48.150 1.00 30.41 C ATOM 1417 CD1 TYR A 98 35.804 7.819 -49.130 1.00 14.42 C ATOM 1418 CD2 TYR A 98 35.064 9.940 -48.332 1.00 44.10 C ATOM 1419 CE1 TYR A 98 35.020 7.965 -50.259 1.00 50.35 C ATOM 1420 CE2 TYR A 98 34.276 10.094 -49.456 1.00 43.13 C ATOM 1421 CZ TYR A 98 34.257 9.104 -50.417 1.00 71.31 C ATOM 1422 OH TYR A 98 33.473 9.252 -51.537 1.00 23.25 O ATOM 0 H TYR A 98 34.734 8.711 -45.334 1.00 64.34 H new ATOM 0 HA TYR A 98 36.218 6.563 -46.625 1.00 54.11 H new ATOM 0 HB2 TYR A 98 36.669 9.560 -46.336 1.00 70.30 H new ATOM 0 HB3 TYR A 98 37.738 8.492 -47.224 1.00 70.30 H new ATOM 0 HD1 TYR A 98 36.398 6.925 -49.008 1.00 14.42 H new ATOM 0 HD2 TYR A 98 35.077 10.717 -47.582 1.00 44.10 H new ATOM 0 HE1 TYR A 98 35.005 7.192 -51.013 1.00 50.35 H new ATOM 0 HE2 TYR A 98 33.678 10.984 -49.582 1.00 43.13 H new ATOM 0 HH TYR A 98 32.999 10.109 -51.493 1.00 23.25 H new ATOM 1431 N LEU A 99 38.032 6.141 -45.011 1.00 71.20 N ATOM 1432 CA LEU A 99 39.057 5.813 -44.025 1.00 71.03 C ATOM 1433 C LEU A 99 40.084 6.935 -43.915 1.00 41.04 C ATOM 1434 O LEU A 99 40.754 7.077 -42.892 1.00 74.12 O ATOM 1435 CB LEU A 99 39.753 4.503 -44.399 1.00 75.41 C ATOM 1436 CG LEU A 99 39.503 3.320 -43.463 1.00 12.24 C ATOM 1437 CD1 LEU A 99 40.059 3.609 -42.078 1.00 41.41 C ATOM 1438 CD2 LEU A 99 38.017 3.004 -43.389 1.00 52.34 C ATOM 0 H LEU A 99 37.924 5.449 -45.752 1.00 71.20 H new ATOM 0 HA LEU A 99 38.570 5.694 -43.057 1.00 71.03 H new ATOM 0 HB2 LEU A 99 39.436 4.220 -45.403 1.00 75.41 H new ATOM 0 HB3 LEU A 99 40.827 4.685 -44.443 1.00 75.41 H new ATOM 0 HG LEU A 99 40.019 2.448 -43.864 1.00 12.24 H new ATOM 0 HD11 LEU A 99 39.872 2.756 -41.426 1.00 41.41 H new ATOM 0 HD12 LEU A 99 41.133 3.785 -42.146 1.00 41.41 H new ATOM 0 HD13 LEU A 99 39.572 4.493 -41.668 1.00 41.41 H new ATOM 0 HD21 LEU A 99 37.858 2.160 -42.719 1.00 52.34 H new ATOM 0 HD22 LEU A 99 37.478 3.873 -43.012 1.00 52.34 H new ATOM 0 HD23 LEU A 99 37.649 2.752 -44.383 1.00 52.34 H new ATOM 1449 N GLU A 100 40.201 7.731 -44.974 1.00 63.34 N ATOM 1450 CA GLU A 100 41.146 8.841 -44.994 1.00 71.11 C ATOM 1451 C GLU A 100 40.729 9.928 -44.008 1.00 61.35 C ATOM 1452 O GLU A 100 41.513 10.821 -43.687 1.00 53.24 O ATOM 1453 CB GLU A 100 41.249 9.427 -46.404 1.00 52.44 C ATOM 1454 CG GLU A 100 42.456 10.326 -46.603 1.00 21.32 C ATOM 1455 CD GLU A 100 43.574 9.641 -47.367 1.00 73.10 C ATOM 1456 OE1 GLU A 100 43.600 8.393 -47.389 1.00 40.25 O ATOM 1457 OE2 GLU A 100 44.421 10.354 -47.944 1.00 61.40 O ATOM 0 H GLU A 100 39.653 7.627 -45.828 1.00 63.34 H new ATOM 0 HA GLU A 100 42.122 8.459 -44.695 1.00 71.11 H new ATOM 0 HB2 GLU A 100 41.292 8.611 -47.125 1.00 52.44 H new ATOM 0 HB3 GLU A 100 40.344 9.995 -46.619 1.00 52.44 H new ATOM 0 HG2 GLU A 100 42.151 11.224 -47.140 1.00 21.32 H new ATOM 0 HG3 GLU A 100 42.829 10.648 -45.631 1.00 21.32 H new ATOM 1462 N GLU A 101 39.490 9.845 -43.532 1.00 30.03 N ATOM 1463 CA GLU A 101 38.969 10.823 -42.584 1.00 12.02 C ATOM 1464 C GLU A 101 39.183 10.355 -41.148 1.00 52.11 C ATOM 1465 O GLU A 101 39.427 11.162 -40.251 1.00 14.55 O ATOM 1466 CB GLU A 101 37.480 11.067 -42.837 1.00 31.53 C ATOM 1467 CG GLU A 101 37.063 12.518 -42.663 1.00 35.41 C ATOM 1468 CD GLU A 101 36.836 12.890 -41.211 1.00 51.40 C ATOM 1469 OE1 GLU A 101 36.237 12.077 -40.477 1.00 52.43 O ATOM 1470 OE2 GLU A 101 37.258 13.994 -40.809 1.00 72.32 O ATOM 0 H GLU A 101 38.829 9.111 -43.787 1.00 30.03 H new ATOM 0 HA GLU A 101 39.512 11.757 -42.728 1.00 12.02 H new ATOM 0 HB2 GLU A 101 37.235 10.746 -43.849 1.00 31.53 H new ATOM 0 HB3 GLU A 101 36.898 10.446 -42.156 1.00 31.53 H new ATOM 0 HG2 GLU A 101 37.832 13.166 -43.084 1.00 35.41 H new ATOM 0 HG3 GLU A 101 36.149 12.699 -43.228 1.00 35.41 H new ATOM 1475 N MET A 102 39.089 9.046 -40.938 1.00 70.25 N ATOM 1476 CA MET A 102 39.272 8.470 -39.610 1.00 14.12 C ATOM 1477 C MET A 102 40.707 8.659 -39.129 1.00 52.12 C ATOM 1478 O MET A 102 41.657 8.336 -39.841 1.00 32.43 O ATOM 1479 CB MET A 102 38.918 6.982 -39.623 1.00 31.14 C ATOM 1480 CG MET A 102 37.499 6.699 -40.090 1.00 41.45 C ATOM 1481 SD MET A 102 37.291 5.015 -40.700 1.00 33.02 S ATOM 1482 CE MET A 102 35.510 4.843 -40.619 1.00 0.22 C ATOM 0 H MET A 102 38.887 8.364 -41.669 1.00 70.25 H new ATOM 0 HA MET A 102 38.605 8.989 -38.921 1.00 14.12 H new ATOM 0 HB2 MET A 102 39.617 6.456 -40.273 1.00 31.14 H new ATOM 0 HB3 MET A 102 39.049 6.577 -38.620 1.00 31.14 H new ATOM 0 HG2 MET A 102 36.808 6.870 -39.264 1.00 41.45 H new ATOM 0 HG3 MET A 102 37.233 7.402 -40.879 1.00 41.45 H new ATOM 0 HE1 MET A 102 35.253 4.043 -39.925 1.00 0.22 H new ATOM 0 HE2 MET A 102 35.069 5.778 -40.273 1.00 0.22 H new ATOM 0 HE3 MET A 102 35.122 4.603 -41.609 1.00 0.22 H new ATOM 1490 N SER A 103 40.855 9.185 -37.917 1.00 3.43 N ATOM 1491 CA SER A 103 42.175 9.421 -37.343 1.00 14.33 C ATOM 1492 C SER A 103 42.869 8.102 -37.017 1.00 71.41 C ATOM 1493 O SER A 103 42.276 7.210 -36.411 1.00 63.01 O ATOM 1494 CB SER A 103 42.058 10.275 -36.080 1.00 24.34 C ATOM 1495 OG SER A 103 42.609 11.566 -36.284 1.00 44.21 O ATOM 0 H SER A 103 40.078 9.456 -37.314 1.00 3.43 H new ATOM 0 HA SER A 103 42.776 9.954 -38.080 1.00 14.33 H new ATOM 0 HB2 SER A 103 41.010 10.365 -35.794 1.00 24.34 H new ATOM 0 HB3 SER A 103 42.573 9.783 -35.255 1.00 24.34 H new ATOM 0 HG SER A 103 42.520 12.093 -35.463 1.00 44.21 H new ATOM 1500 N TRP A 104 44.128 7.987 -37.424 1.00 3.14 N ATOM 1501 CA TRP A 104 44.905 6.777 -37.176 1.00 53.53 C ATOM 1502 C TRP A 104 45.733 6.915 -35.904 1.00 25.34 C ATOM 1503 O TRP A 104 46.751 7.605 -35.888 1.00 54.15 O ATOM 1504 CB TRP A 104 45.818 6.480 -38.366 1.00 4.22 C ATOM 1505 CG TRP A 104 46.935 5.536 -38.036 1.00 75.02 C ATOM 1506 CD1 TRP A 104 46.852 4.400 -37.282 1.00 14.02 C ATOM 1507 CD2 TRP A 104 48.301 5.649 -38.447 1.00 34.13 C ATOM 1508 NE1 TRP A 104 48.086 3.800 -37.201 1.00 32.11 N ATOM 1509 CE2 TRP A 104 48.991 4.547 -37.907 1.00 45.50 C ATOM 1510 CE3 TRP A 104 49.009 6.573 -39.220 1.00 34.31 C ATOM 1511 CZ2 TRP A 104 50.354 4.346 -38.116 1.00 42.52 C ATOM 1512 CZ3 TRP A 104 50.361 6.373 -39.427 1.00 41.14 C ATOM 1513 CH2 TRP A 104 51.021 5.266 -38.878 1.00 63.13 C ATOM 0 H TRP A 104 44.633 8.717 -37.927 1.00 3.14 H new ATOM 0 HA TRP A 104 44.210 5.947 -37.046 1.00 53.53 H new ATOM 0 HB2 TRP A 104 45.222 6.058 -39.176 1.00 4.22 H new ATOM 0 HB3 TRP A 104 46.239 7.415 -38.734 1.00 4.22 H new ATOM 0 HD1 TRP A 104 45.950 4.028 -36.818 1.00 14.02 H new ATOM 0 HE1 TRP A 104 48.294 2.938 -36.697 1.00 32.11 H new ATOM 0 HE3 TRP A 104 48.508 7.429 -39.648 1.00 34.31 H new ATOM 0 HZ2 TRP A 104 50.865 3.495 -37.692 1.00 42.52 H new ATOM 0 HZ3 TRP A 104 50.918 7.082 -40.022 1.00 41.14 H new ATOM 0 HH2 TRP A 104 52.078 5.136 -39.060 1.00 63.13 H new ATOM 1523 N ASN A 105 45.291 6.251 -34.841 1.00 62.53 N ATOM 1524 CA ASN A 105 45.994 6.299 -33.563 1.00 32.22 C ATOM 1525 C ASN A 105 46.994 5.153 -33.448 1.00 20.45 C ATOM 1526 O ASN A 105 46.614 3.983 -33.459 1.00 0.33 O ATOM 1527 CB ASN A 105 44.996 6.239 -32.406 1.00 41.51 C ATOM 1528 CG ASN A 105 45.654 5.857 -31.094 1.00 25.13 C ATOM 1529 OD1 ASN A 105 46.707 6.385 -30.738 1.00 32.31 O ATOM 1530 ND2 ASN A 105 45.034 4.933 -30.368 1.00 23.22 N ATOM 0 H ASN A 105 44.450 5.674 -34.839 1.00 62.53 H new ATOM 0 HA ASN A 105 46.541 7.240 -33.513 1.00 32.22 H new ATOM 0 HB2 ASN A 105 44.511 7.209 -32.297 1.00 41.51 H new ATOM 0 HB3 ASN A 105 44.214 5.517 -32.641 1.00 41.51 H new ATOM 0 HD21 ASN A 105 45.430 4.635 -29.476 1.00 23.22 H new ATOM 0 HD22 ASN A 105 44.162 4.522 -30.702 1.00 23.22 H new ATOM 1536 N GLU A 106 48.273 5.498 -33.338 1.00 14.43 N ATOM 1537 CA GLU A 106 49.327 4.498 -33.221 1.00 11.33 C ATOM 1538 C GLU A 106 49.331 3.873 -31.829 1.00 24.44 C ATOM 1539 O GLU A 106 49.765 2.736 -31.649 1.00 5.21 O ATOM 1540 CB GLU A 106 50.691 5.124 -33.517 1.00 63.35 C ATOM 1541 CG GLU A 106 51.849 4.150 -33.385 1.00 30.43 C ATOM 1542 CD GLU A 106 53.197 4.846 -33.356 1.00 2.10 C ATOM 1543 OE1 GLU A 106 53.290 5.978 -33.874 1.00 30.23 O ATOM 1544 OE2 GLU A 106 54.157 4.258 -32.815 1.00 34.04 O ATOM 0 H GLU A 106 48.604 6.463 -33.327 1.00 14.43 H new ATOM 0 HA GLU A 106 49.131 3.713 -33.952 1.00 11.33 H new ATOM 0 HB2 GLU A 106 50.683 5.531 -34.528 1.00 63.35 H new ATOM 0 HB3 GLU A 106 50.852 5.961 -32.838 1.00 63.35 H new ATOM 0 HG2 GLU A 106 51.726 3.567 -32.473 1.00 30.43 H new ATOM 0 HG3 GLU A 106 51.825 3.448 -34.218 1.00 30.43 H new ATOM 1549 N GLY A 107 48.847 4.627 -30.847 1.00 0.05 N ATOM 1550 CA GLY A 107 48.805 4.131 -29.484 1.00 65.12 C ATOM 1551 C GLY A 107 48.143 2.771 -29.380 1.00 32.31 C ATOM 1552 O GLY A 107 48.696 1.848 -28.783 1.00 10.21 O ATOM 0 H GLY A 107 48.483 5.572 -30.971 1.00 0.05 H new ATOM 0 HA2 GLY A 107 49.820 4.068 -29.093 1.00 65.12 H new ATOM 0 HA3 GLY A 107 48.266 4.842 -28.859 1.00 65.12 H new ATOM 1556 N ASP A 108 46.955 2.648 -29.963 1.00 22.44 N ATOM 1557 CA ASP A 108 46.216 1.392 -29.934 1.00 45.01 C ATOM 1558 C ASP A 108 46.046 0.829 -31.341 1.00 53.32 C ATOM 1559 O ASP A 108 45.400 -0.202 -31.535 1.00 50.32 O ATOM 1560 CB ASP A 108 44.847 1.596 -29.283 1.00 32.33 C ATOM 1561 CG ASP A 108 44.433 0.418 -28.424 1.00 63.13 C ATOM 1562 OD1 ASP A 108 45.064 0.203 -27.368 1.00 60.43 O ATOM 1563 OD2 ASP A 108 43.477 -0.290 -28.807 1.00 24.34 O ATOM 0 H ASP A 108 46.484 3.403 -30.461 1.00 22.44 H new ATOM 0 HA ASP A 108 46.787 0.676 -29.343 1.00 45.01 H new ATOM 0 HB2 ASP A 108 44.870 2.498 -28.671 1.00 32.33 H new ATOM 0 HB3 ASP A 108 44.099 1.756 -30.059 1.00 32.33 H new ATOM 1567 N HIS A 109 46.627 1.513 -32.321 1.00 63.30 N ATOM 1568 CA HIS A 109 46.540 1.081 -33.712 1.00 0.11 C ATOM 1569 C HIS A 109 45.091 0.816 -34.108 1.00 73.23 C ATOM 1570 O HIS A 109 44.695 -0.330 -34.322 1.00 54.23 O ATOM 1571 CB HIS A 109 47.379 -0.179 -33.930 1.00 15.32 C ATOM 1572 CG HIS A 109 48.854 0.078 -33.941 1.00 74.32 C ATOM 1573 ND1 HIS A 109 49.695 -0.321 -32.923 1.00 2.44 N ATOM 1574 CD2 HIS A 109 49.639 0.699 -34.853 1.00 3.51 C ATOM 1575 CE1 HIS A 109 50.932 0.042 -33.209 1.00 75.44 C ATOM 1576 NE2 HIS A 109 50.925 0.664 -34.375 1.00 5.43 N ATOM 0 H HIS A 109 47.163 2.369 -32.178 1.00 63.30 H new ATOM 0 HA HIS A 109 46.930 1.881 -34.341 1.00 0.11 H new ATOM 0 HB2 HIS A 109 47.150 -0.899 -33.144 1.00 15.32 H new ATOM 0 HB3 HIS A 109 47.091 -0.638 -34.876 1.00 15.32 H new ATOM 0 HD2 HIS A 109 49.314 1.140 -35.784 1.00 3.51 H new ATOM 0 HE1 HIS A 109 51.802 -0.139 -32.595 1.00 75.44 H new ATOM 0 HE2 HIS A 109 51.743 1.055 -34.844 1.00 5.43 H new ATOM 1583 N SER A 110 44.303 1.883 -34.202 1.00 43.11 N ATOM 1584 CA SER A 110 42.897 1.765 -34.568 1.00 41.41 C ATOM 1585 C SER A 110 42.362 3.089 -35.105 1.00 22.14 C ATOM 1586 O SER A 110 42.889 4.157 -34.793 1.00 23.35 O ATOM 1587 CB SER A 110 42.069 1.321 -33.360 1.00 21.21 C ATOM 1588 OG SER A 110 42.900 1.056 -32.243 1.00 63.54 O ATOM 0 H SER A 110 44.615 2.839 -34.030 1.00 43.11 H new ATOM 0 HA SER A 110 42.814 1.014 -35.353 1.00 41.41 H new ATOM 0 HB2 SER A 110 41.347 2.097 -33.105 1.00 21.21 H new ATOM 0 HB3 SER A 110 41.499 0.427 -33.614 1.00 21.21 H new ATOM 0 HG SER A 110 42.348 0.776 -31.484 1.00 63.54 H new ATOM 1593 N PHE A 111 41.312 3.011 -35.916 1.00 12.05 N ATOM 1594 CA PHE A 111 40.706 4.202 -36.500 1.00 62.25 C ATOM 1595 C PHE A 111 39.379 4.525 -35.819 1.00 74.34 C ATOM 1596 O PHE A 111 38.550 3.641 -35.598 1.00 32.43 O ATOM 1597 CB PHE A 111 40.487 4.006 -38.001 1.00 61.14 C ATOM 1598 CG PHE A 111 41.764 3.945 -38.790 1.00 75.43 C ATOM 1599 CD1 PHE A 111 42.637 2.881 -38.640 1.00 60.40 C ATOM 1600 CD2 PHE A 111 42.091 4.955 -39.681 1.00 1.15 C ATOM 1601 CE1 PHE A 111 43.813 2.822 -39.364 1.00 14.14 C ATOM 1602 CE2 PHE A 111 43.265 4.902 -40.409 1.00 55.42 C ATOM 1603 CZ PHE A 111 44.127 3.835 -40.249 1.00 30.22 C ATOM 0 H PHE A 111 40.863 2.135 -36.184 1.00 12.05 H new ATOM 0 HA PHE A 111 41.387 5.039 -36.346 1.00 62.25 H new ATOM 0 HB2 PHE A 111 39.926 3.085 -38.161 1.00 61.14 H new ATOM 0 HB3 PHE A 111 39.873 4.823 -38.380 1.00 61.14 H new ATOM 0 HD1 PHE A 111 42.396 2.087 -37.949 1.00 60.40 H new ATOM 0 HD2 PHE A 111 41.421 5.793 -39.808 1.00 1.15 H new ATOM 0 HE1 PHE A 111 44.485 1.986 -39.238 1.00 14.14 H new ATOM 0 HE2 PHE A 111 43.508 5.694 -41.102 1.00 55.42 H new ATOM 0 HZ PHE A 111 45.046 3.793 -40.815 1.00 30.22 H new ATOM 1612 N TYR A 112 39.185 5.797 -35.488 1.00 21.44 N ATOM 1613 CA TYR A 112 37.962 6.237 -34.830 1.00 75.44 C ATOM 1614 C TYR A 112 37.388 7.473 -35.518 1.00 44.51 C ATOM 1615 O TYR A 112 38.127 8.303 -36.048 1.00 75.04 O ATOM 1616 CB TYR A 112 38.232 6.541 -33.355 1.00 72.22 C ATOM 1617 CG TYR A 112 39.494 7.340 -33.123 1.00 65.45 C ATOM 1618 CD1 TYR A 112 39.583 8.668 -33.521 1.00 23.21 C ATOM 1619 CD2 TYR A 112 40.600 6.765 -32.506 1.00 54.21 C ATOM 1620 CE1 TYR A 112 40.735 9.401 -33.311 1.00 64.53 C ATOM 1621 CE2 TYR A 112 41.755 7.492 -32.291 1.00 41.44 C ATOM 1622 CZ TYR A 112 41.818 8.809 -32.696 1.00 63.05 C ATOM 1623 OH TYR A 112 42.968 9.535 -32.484 1.00 43.31 O ATOM 0 H TYR A 112 39.860 6.541 -35.665 1.00 21.44 H new ATOM 0 HA TYR A 112 37.232 5.431 -34.900 1.00 75.44 H new ATOM 0 HB2 TYR A 112 37.384 7.089 -32.945 1.00 72.22 H new ATOM 0 HB3 TYR A 112 38.300 5.602 -32.806 1.00 72.22 H new ATOM 0 HD1 TYR A 112 38.737 9.135 -34.003 1.00 23.21 H new ATOM 0 HD2 TYR A 112 40.555 5.733 -32.190 1.00 54.21 H new ATOM 0 HE1 TYR A 112 40.787 10.432 -33.627 1.00 64.53 H new ATOM 0 HE2 TYR A 112 42.604 7.031 -31.808 1.00 41.44 H new ATOM 0 HH TYR A 112 43.421 9.204 -31.680 1.00 43.31 H new ATOM 1632 N LEU A 113 36.064 7.588 -35.505 1.00 43.52 N ATOM 1633 CA LEU A 113 35.388 8.720 -36.127 1.00 55.03 C ATOM 1634 C LEU A 113 34.476 9.426 -35.127 1.00 34.05 C ATOM 1635 O LEU A 113 33.638 8.795 -34.483 1.00 31.25 O ATOM 1636 CB LEU A 113 34.574 8.254 -37.335 1.00 31.11 C ATOM 1637 CG LEU A 113 34.639 9.148 -38.574 1.00 40.02 C ATOM 1638 CD1 LEU A 113 34.001 10.499 -38.290 1.00 21.05 C ATOM 1639 CD2 LEU A 113 36.080 9.322 -39.031 1.00 23.25 C ATOM 0 H LEU A 113 35.438 6.910 -35.070 1.00 43.52 H new ATOM 0 HA LEU A 113 36.148 9.426 -36.460 1.00 55.03 H new ATOM 0 HB2 LEU A 113 34.913 7.256 -37.613 1.00 31.11 H new ATOM 0 HB3 LEU A 113 33.531 8.163 -37.032 1.00 31.11 H new ATOM 0 HG LEU A 113 34.080 8.666 -39.377 1.00 40.02 H new ATOM 0 HD11 LEU A 113 34.056 11.122 -39.183 1.00 21.05 H new ATOM 0 HD12 LEU A 113 32.957 10.357 -38.011 1.00 21.05 H new ATOM 0 HD13 LEU A 113 34.532 10.988 -37.473 1.00 21.05 H new ATOM 0 HD21 LEU A 113 36.107 9.961 -39.914 1.00 23.25 H new ATOM 0 HD22 LEU A 113 36.662 9.782 -38.232 1.00 23.25 H new ATOM 0 HD23 LEU A 113 36.504 8.348 -39.275 1.00 23.25 H new ATOM 1650 N SER A 114 34.645 10.738 -35.005 1.00 15.21 N ATOM 1651 CA SER A 114 33.838 11.530 -34.084 1.00 70.32 C ATOM 1652 C SER A 114 32.470 11.837 -34.684 1.00 33.03 C ATOM 1653 O SER A 114 32.360 12.586 -35.656 1.00 21.32 O ATOM 1654 CB SER A 114 34.559 12.833 -33.732 1.00 35.11 C ATOM 1655 OG SER A 114 35.129 13.427 -34.886 1.00 21.24 O ATOM 0 H SER A 114 35.333 11.275 -35.532 1.00 15.21 H new ATOM 0 HA SER A 114 33.692 10.947 -33.175 1.00 70.32 H new ATOM 0 HB2 SER A 114 33.857 13.528 -33.270 1.00 35.11 H new ATOM 0 HB3 SER A 114 35.340 12.634 -32.998 1.00 35.11 H new ATOM 0 HG SER A 114 34.474 13.420 -35.615 1.00 21.24 H new ATOM 1660 N CYS A 115 31.429 11.255 -34.100 1.00 24.32 N ATOM 1661 CA CYS A 115 30.068 11.464 -34.575 1.00 55.32 C ATOM 1662 C CYS A 115 29.628 12.907 -34.350 1.00 71.44 C ATOM 1663 O CYS A 115 30.327 13.685 -33.700 1.00 61.23 O ATOM 1664 CB CYS A 115 29.105 10.509 -33.867 1.00 70.15 C ATOM 1665 SG CYS A 115 27.713 9.952 -34.903 1.00 61.33 S ATOM 0 H CYS A 115 31.503 10.633 -33.295 1.00 24.32 H new ATOM 0 HA CYS A 115 30.049 11.260 -35.646 1.00 55.32 H new ATOM 0 HB2 CYS A 115 29.662 9.636 -33.525 1.00 70.15 H new ATOM 0 HB3 CYS A 115 28.709 11.002 -32.979 1.00 70.15 H new ATOM 0 HG CYS A 115 26.609 10.021 -34.220 1.00 61.33 H new ATOM 1669 N ARG A 116 28.466 13.259 -34.890 1.00 65.12 N ATOM 1670 CA ARG A 116 27.934 14.608 -34.748 1.00 51.41 C ATOM 1671 C ARG A 116 26.904 14.671 -33.624 1.00 1.31 C ATOM 1672 O ARG A 116 26.006 15.514 -33.636 1.00 21.35 O ATOM 1673 CB ARG A 116 27.300 15.070 -36.062 1.00 52.13 C ATOM 1674 CG ARG A 116 26.052 14.291 -36.442 1.00 55.34 C ATOM 1675 CD ARG A 116 26.283 13.435 -37.677 1.00 52.43 C ATOM 1676 NE ARG A 116 25.090 12.682 -38.053 1.00 50.21 N ATOM 1677 CZ ARG A 116 24.063 13.211 -38.709 1.00 75.51 C ATOM 1678 NH1 ARG A 116 24.085 14.489 -39.061 1.00 72.45 N ATOM 1679 NH2 ARG A 116 23.012 12.461 -39.016 1.00 74.23 N ATOM 0 H ARG A 116 27.875 12.628 -35.430 1.00 65.12 H new ATOM 0 HA ARG A 116 28.761 15.273 -34.498 1.00 51.41 H new ATOM 0 HB2 ARG A 116 27.048 16.127 -35.982 1.00 52.13 H new ATOM 0 HB3 ARG A 116 28.034 14.977 -36.862 1.00 52.13 H new ATOM 0 HG2 ARG A 116 25.751 13.656 -35.609 1.00 55.34 H new ATOM 0 HG3 ARG A 116 25.231 14.984 -36.627 1.00 55.34 H new ATOM 0 HD2 ARG A 116 26.586 14.072 -38.508 1.00 52.43 H new ATOM 0 HD3 ARG A 116 27.104 12.743 -37.490 1.00 52.43 H new ATOM 0 HE ARG A 116 25.042 11.696 -37.798 1.00 50.21 H new ATOM 0 HH11 ARG A 116 24.892 15.068 -38.828 1.00 72.45 H new ATOM 0 HH12 ARG A 116 23.295 14.893 -39.565 1.00 72.45 H new ATOM 0 HH21 ARG A 116 22.992 11.477 -38.748 1.00 74.23 H new ATOM 0 HH22 ARG A 116 22.224 12.869 -39.520 1.00 74.23 H new ATOM 1690 N CYS A 117 27.039 13.773 -32.653 1.00 33.41 N ATOM 1691 CA CYS A 117 26.121 13.726 -31.523 1.00 43.35 C ATOM 1692 C CYS A 117 26.884 13.757 -30.201 1.00 40.12 C ATOM 1693 O CYS A 117 26.523 14.490 -29.281 1.00 63.22 O ATOM 1694 CB CYS A 117 25.256 12.465 -31.594 1.00 54.11 C ATOM 1695 SG CYS A 117 26.204 10.922 -31.784 1.00 70.12 S ATOM 0 H CYS A 117 27.776 13.068 -32.627 1.00 33.41 H new ATOM 0 HA CYS A 117 25.478 14.604 -31.573 1.00 43.35 H new ATOM 0 HB2 CYS A 117 24.654 12.399 -30.688 1.00 54.11 H new ATOM 0 HB3 CYS A 117 24.564 12.559 -32.431 1.00 54.11 H new ATOM 0 HG CYS A 117 25.536 10.091 -32.528 1.00 70.12 H new ATOM 1699 N GLY A 118 27.941 12.955 -30.114 1.00 13.45 N ATOM 1700 CA GLY A 118 28.739 12.906 -28.903 1.00 40.01 C ATOM 1701 C GLY A 118 29.655 11.700 -28.860 1.00 42.50 C ATOM 1702 O GLY A 118 30.805 11.799 -28.437 1.00 32.41 O ATOM 0 H GLY A 118 28.259 12.338 -30.861 1.00 13.45 H new ATOM 0 HA2 GLY A 118 29.336 13.815 -28.828 1.00 40.01 H new ATOM 0 HA3 GLY A 118 28.078 12.887 -28.037 1.00 40.01 H new ATOM 1706 N GLY A 119 29.143 10.554 -29.299 1.00 44.25 N ATOM 1707 CA GLY A 119 29.936 9.337 -29.299 1.00 74.43 C ATOM 1708 C GLY A 119 30.851 9.243 -30.503 1.00 25.12 C ATOM 1709 O GLY A 119 30.694 9.985 -31.473 1.00 61.11 O ATOM 0 H GLY A 119 28.193 10.446 -29.655 1.00 44.25 H new ATOM 0 HA2 GLY A 119 30.533 9.296 -28.388 1.00 74.43 H new ATOM 0 HA3 GLY A 119 29.271 8.473 -29.283 1.00 74.43 H new ATOM 1713 N LYS A 120 31.812 8.327 -30.443 1.00 61.44 N ATOM 1714 CA LYS A 120 32.758 8.138 -31.536 1.00 4.03 C ATOM 1715 C LYS A 120 33.115 6.663 -31.696 1.00 11.21 C ATOM 1716 O LYS A 120 33.514 6.003 -30.735 1.00 12.15 O ATOM 1717 CB LYS A 120 34.027 8.956 -31.289 1.00 42.43 C ATOM 1718 CG LYS A 120 33.760 10.324 -30.685 1.00 61.15 C ATOM 1719 CD LYS A 120 33.746 10.270 -29.166 1.00 60.31 C ATOM 1720 CE LYS A 120 34.964 10.960 -28.573 1.00 73.51 C ATOM 1721 NZ LYS A 120 34.999 12.410 -28.910 1.00 30.41 N ATOM 0 H LYS A 120 31.956 7.704 -29.648 1.00 61.44 H new ATOM 0 HA LYS A 120 32.285 8.483 -32.456 1.00 4.03 H new ATOM 0 HB2 LYS A 120 34.686 8.397 -30.625 1.00 42.43 H new ATOM 0 HB3 LYS A 120 34.558 9.082 -32.233 1.00 42.43 H new ATOM 0 HG2 LYS A 120 34.525 11.025 -31.018 1.00 61.15 H new ATOM 0 HG3 LYS A 120 32.803 10.701 -31.045 1.00 61.15 H new ATOM 0 HD2 LYS A 120 32.839 10.746 -28.792 1.00 60.31 H new ATOM 0 HD3 LYS A 120 33.719 9.231 -28.838 1.00 60.31 H new ATOM 0 HE2 LYS A 120 34.958 10.839 -27.490 1.00 73.51 H new ATOM 0 HE3 LYS A 120 35.870 10.479 -28.943 1.00 73.51 H new ATOM 0 HZ1 LYS A 120 35.492 12.930 -28.156 1.00 30.41 H new ATOM 0 HZ2 LYS A 120 35.502 12.545 -29.810 1.00 30.41 H new ATOM 0 HZ3 LYS A 120 34.027 12.769 -28.999 1.00 30.41 H new ATOM 1731 N TYR A 121 32.970 6.153 -32.913 1.00 22.15 N ATOM 1732 CA TYR A 121 33.277 4.756 -33.198 1.00 32.25 C ATOM 1733 C TYR A 121 34.776 4.493 -33.086 1.00 12.24 C ATOM 1734 O TYR A 121 35.593 5.386 -33.311 1.00 13.33 O ATOM 1735 CB TYR A 121 32.785 4.379 -34.597 1.00 31.41 C ATOM 1736 CG TYR A 121 33.901 4.064 -35.567 1.00 3.02 C ATOM 1737 CD1 TYR A 121 34.452 2.789 -35.633 1.00 71.14 C ATOM 1738 CD2 TYR A 121 34.405 5.040 -36.419 1.00 5.20 C ATOM 1739 CE1 TYR A 121 35.472 2.498 -36.517 1.00 4.43 C ATOM 1740 CE2 TYR A 121 35.425 4.756 -37.307 1.00 40.44 C ATOM 1741 CZ TYR A 121 35.954 3.483 -37.352 1.00 21.24 C ATOM 1742 OH TYR A 121 36.970 3.195 -38.235 1.00 32.22 O ATOM 0 H TYR A 121 32.642 6.686 -33.719 1.00 22.15 H new ATOM 0 HA TYR A 121 32.763 4.140 -32.460 1.00 32.25 H new ATOM 0 HB2 TYR A 121 32.127 3.514 -34.520 1.00 31.41 H new ATOM 0 HB3 TYR A 121 32.188 5.199 -34.996 1.00 31.41 H new ATOM 0 HD1 TYR A 121 34.076 2.014 -34.982 1.00 71.14 H new ATOM 0 HD2 TYR A 121 33.992 6.037 -36.386 1.00 5.20 H new ATOM 0 HE1 TYR A 121 35.890 1.503 -36.554 1.00 4.43 H new ATOM 0 HE2 TYR A 121 35.806 5.526 -37.962 1.00 40.44 H new ATOM 0 HH TYR A 121 37.182 3.994 -38.762 1.00 32.22 H new ATOM 1751 N SER A 122 35.129 3.260 -32.737 1.00 32.24 N ATOM 1752 CA SER A 122 36.529 2.879 -32.592 1.00 44.02 C ATOM 1753 C SER A 122 36.707 1.378 -32.798 1.00 40.30 C ATOM 1754 O SER A 122 36.275 0.571 -31.974 1.00 13.00 O ATOM 1755 CB SER A 122 37.048 3.281 -31.210 1.00 14.24 C ATOM 1756 OG SER A 122 37.919 2.294 -30.685 1.00 42.11 O ATOM 0 H SER A 122 34.465 2.508 -32.550 1.00 32.24 H new ATOM 0 HA SER A 122 37.104 3.404 -33.355 1.00 44.02 H new ATOM 0 HB2 SER A 122 37.572 4.234 -31.278 1.00 14.24 H new ATOM 0 HB3 SER A 122 36.208 3.427 -30.531 1.00 14.24 H new ATOM 0 HG SER A 122 38.238 2.575 -29.802 1.00 42.11 H new ATOM 1761 N VAL A 123 37.346 1.010 -33.903 1.00 22.03 N ATOM 1762 CA VAL A 123 37.584 -0.393 -34.219 1.00 44.23 C ATOM 1763 C VAL A 123 39.061 -0.655 -34.487 1.00 12.32 C ATOM 1764 O VAL A 123 39.758 0.190 -35.050 1.00 25.10 O ATOM 1765 CB VAL A 123 36.764 -0.841 -35.443 1.00 55.21 C ATOM 1766 CG1 VAL A 123 37.046 -2.298 -35.773 1.00 71.10 C ATOM 1767 CG2 VAL A 123 35.278 -0.619 -35.199 1.00 64.12 C ATOM 0 H VAL A 123 37.709 1.665 -34.596 1.00 22.03 H new ATOM 0 HA VAL A 123 37.268 -0.969 -33.349 1.00 44.23 H new ATOM 0 HB VAL A 123 37.063 -0.236 -36.299 1.00 55.21 H new ATOM 0 HG11 VAL A 123 36.457 -2.595 -36.641 1.00 71.10 H new ATOM 0 HG12 VAL A 123 38.106 -2.422 -35.994 1.00 71.10 H new ATOM 0 HG13 VAL A 123 36.777 -2.923 -34.921 1.00 71.10 H new ATOM 0 HG21 VAL A 123 34.714 -0.941 -36.074 1.00 64.12 H new ATOM 0 HG22 VAL A 123 34.962 -1.197 -34.330 1.00 64.12 H new ATOM 0 HG23 VAL A 123 35.093 0.440 -35.018 1.00 64.12 H new ATOM 1777 N SER A 124 39.532 -1.830 -34.082 1.00 11.23 N ATOM 1778 CA SER A 124 40.929 -2.201 -34.277 1.00 5.44 C ATOM 1779 C SER A 124 41.347 -2.000 -35.731 1.00 43.41 C ATOM 1780 O SER A 124 40.615 -2.355 -36.655 1.00 4.21 O ATOM 1781 CB SER A 124 41.154 -3.658 -33.867 1.00 40.33 C ATOM 1782 OG SER A 124 41.841 -3.739 -32.630 1.00 73.11 O ATOM 0 H SER A 124 38.967 -2.541 -33.617 1.00 11.23 H new ATOM 0 HA SER A 124 41.542 -1.555 -33.648 1.00 5.44 H new ATOM 0 HB2 SER A 124 40.195 -4.169 -33.788 1.00 40.33 H new ATOM 0 HB3 SER A 124 41.727 -4.172 -34.639 1.00 40.33 H new ATOM 0 HG SER A 124 41.971 -4.680 -32.389 1.00 73.11 H new ATOM 1787 N LYS A 125 42.530 -1.429 -35.926 1.00 1.02 N ATOM 1788 CA LYS A 125 43.049 -1.181 -37.266 1.00 23.13 C ATOM 1789 C LYS A 125 42.999 -2.449 -38.112 1.00 52.33 C ATOM 1790 O LYS A 125 42.419 -2.459 -39.198 1.00 11.52 O ATOM 1791 CB LYS A 125 44.487 -0.663 -37.191 1.00 64.04 C ATOM 1792 CG LYS A 125 45.172 -0.570 -38.543 1.00 71.14 C ATOM 1793 CD LYS A 125 46.430 0.280 -38.474 1.00 12.54 C ATOM 1794 CE LYS A 125 47.534 -0.420 -37.698 1.00 62.22 C ATOM 1795 NZ LYS A 125 48.545 -1.035 -38.602 1.00 33.13 N ATOM 0 H LYS A 125 43.148 -1.129 -35.172 1.00 1.02 H new ATOM 0 HA LYS A 125 42.421 -0.425 -37.737 1.00 23.13 H new ATOM 0 HB2 LYS A 125 44.485 0.323 -36.726 1.00 64.04 H new ATOM 0 HB3 LYS A 125 45.068 -1.320 -36.544 1.00 64.04 H new ATOM 0 HG2 LYS A 125 45.427 -1.571 -38.892 1.00 71.14 H new ATOM 0 HG3 LYS A 125 44.483 -0.143 -39.272 1.00 71.14 H new ATOM 0 HD2 LYS A 125 46.777 0.501 -39.483 1.00 12.54 H new ATOM 0 HD3 LYS A 125 46.200 1.234 -38.000 1.00 12.54 H new ATOM 0 HE2 LYS A 125 48.025 0.296 -37.039 1.00 62.22 H new ATOM 0 HE3 LYS A 125 47.098 -1.191 -37.063 1.00 62.22 H new ATOM 0 HZ1 LYS A 125 49.280 -1.502 -38.034 1.00 33.13 H new ATOM 0 HZ2 LYS A 125 48.082 -1.737 -39.214 1.00 33.13 H new ATOM 0 HZ3 LYS A 125 48.980 -0.296 -39.191 1.00 33.13 H new ATOM 1805 N ASP A 126 43.608 -3.517 -37.607 1.00 14.51 N ATOM 1806 CA ASP A 126 43.629 -4.791 -38.316 1.00 5.14 C ATOM 1807 C ASP A 126 42.226 -5.382 -38.415 1.00 10.42 C ATOM 1808 O ASP A 126 41.985 -6.307 -39.189 1.00 3.04 O ATOM 1809 CB ASP A 126 44.562 -5.776 -37.610 1.00 33.40 C ATOM 1810 CG ASP A 126 46.026 -5.447 -37.832 1.00 3.12 C ATOM 1811 OD1 ASP A 126 46.416 -4.285 -37.592 1.00 51.31 O ATOM 1812 OD2 ASP A 126 46.781 -6.352 -38.244 1.00 13.05 O ATOM 0 H ASP A 126 44.093 -3.525 -36.710 1.00 14.51 H new ATOM 0 HA ASP A 126 43.999 -4.611 -39.325 1.00 5.14 H new ATOM 0 HB2 ASP A 126 44.349 -5.771 -36.541 1.00 33.40 H new ATOM 0 HB3 ASP A 126 44.361 -6.785 -37.970 1.00 33.40 H new ATOM 1816 N GLU A 127 41.305 -4.842 -37.623 1.00 50.02 N ATOM 1817 CA GLU A 127 39.926 -5.317 -37.621 1.00 2.13 C ATOM 1818 C GLU A 127 39.119 -4.651 -38.731 1.00 52.51 C ATOM 1819 O GLU A 127 38.253 -5.276 -39.344 1.00 70.44 O ATOM 1820 CB GLU A 127 39.272 -5.045 -36.265 1.00 4.32 C ATOM 1821 CG GLU A 127 37.972 -5.803 -36.053 1.00 22.04 C ATOM 1822 CD GLU A 127 38.174 -7.306 -36.004 1.00 32.33 C ATOM 1823 OE1 GLU A 127 39.082 -7.759 -35.276 1.00 72.02 O ATOM 1824 OE2 GLU A 127 37.424 -8.027 -36.694 1.00 55.30 O ATOM 0 H GLU A 127 41.488 -4.076 -36.975 1.00 50.02 H new ATOM 0 HA GLU A 127 39.939 -6.392 -37.801 1.00 2.13 H new ATOM 0 HB2 GLU A 127 39.972 -5.312 -35.473 1.00 4.32 H new ATOM 0 HB3 GLU A 127 39.079 -3.976 -36.172 1.00 4.32 H new ATOM 0 HG2 GLU A 127 37.510 -5.472 -35.123 1.00 22.04 H new ATOM 0 HG3 GLU A 127 37.278 -5.559 -36.858 1.00 22.04 H new ATOM 1829 N ALA A 128 39.408 -3.379 -38.983 1.00 41.12 N ATOM 1830 CA ALA A 128 38.711 -2.627 -40.019 1.00 12.30 C ATOM 1831 C ALA A 128 38.726 -3.379 -41.346 1.00 70.23 C ATOM 1832 O ALA A 128 37.700 -3.493 -42.016 1.00 71.02 O ATOM 1833 CB ALA A 128 39.336 -1.250 -40.183 1.00 53.02 C ATOM 0 H ALA A 128 40.121 -2.847 -38.483 1.00 41.12 H new ATOM 0 HA ALA A 128 37.672 -2.507 -39.710 1.00 12.30 H new ATOM 0 HB1 ALA A 128 38.805 -0.700 -40.960 1.00 53.02 H new ATOM 0 HB2 ALA A 128 39.268 -0.705 -39.241 1.00 53.02 H new ATOM 0 HB3 ALA A 128 40.383 -1.357 -40.465 1.00 53.02 H new ATOM 1839 N GLU A 129 39.895 -3.888 -41.720 1.00 61.41 N ATOM 1840 CA GLU A 129 40.043 -4.627 -42.968 1.00 75.11 C ATOM 1841 C GLU A 129 39.184 -5.888 -42.958 1.00 61.02 C ATOM 1842 O GLU A 129 38.732 -6.350 -44.005 1.00 51.43 O ATOM 1843 CB GLU A 129 41.510 -4.997 -43.197 1.00 33.02 C ATOM 1844 CG GLU A 129 42.153 -5.699 -42.013 1.00 41.30 C ATOM 1845 CD GLU A 129 43.107 -6.799 -42.435 1.00 33.01 C ATOM 1846 OE1 GLU A 129 42.766 -7.556 -43.367 1.00 4.11 O ATOM 1847 OE2 GLU A 129 44.196 -6.901 -41.833 1.00 25.23 O ATOM 0 H GLU A 129 40.754 -3.802 -41.176 1.00 61.41 H new ATOM 0 HA GLU A 129 39.707 -3.986 -43.783 1.00 75.11 H new ATOM 0 HB2 GLU A 129 41.581 -5.642 -44.073 1.00 33.02 H new ATOM 0 HB3 GLU A 129 42.074 -4.091 -43.421 1.00 33.02 H new ATOM 0 HG2 GLU A 129 42.691 -4.968 -41.410 1.00 41.30 H new ATOM 0 HG3 GLU A 129 41.374 -6.122 -41.379 1.00 41.30 H new ATOM 1852 N GLU A 130 38.965 -6.439 -41.768 1.00 73.43 N ATOM 1853 CA GLU A 130 38.162 -7.647 -41.623 1.00 62.44 C ATOM 1854 C GLU A 130 36.673 -7.313 -41.616 1.00 3.51 C ATOM 1855 O GLU A 130 35.845 -8.105 -42.067 1.00 25.14 O ATOM 1856 CB GLU A 130 38.536 -8.383 -40.334 1.00 50.23 C ATOM 1857 CG GLU A 130 39.262 -9.696 -40.573 1.00 61.43 C ATOM 1858 CD GLU A 130 39.132 -10.655 -39.404 1.00 12.20 C ATOM 1859 OE1 GLU A 130 38.056 -11.273 -39.263 1.00 3.44 O ATOM 1860 OE2 GLU A 130 40.105 -10.786 -38.633 1.00 54.51 O ATOM 0 H GLU A 130 39.332 -6.068 -40.892 1.00 73.43 H new ATOM 0 HA GLU A 130 38.368 -8.294 -42.476 1.00 62.44 H new ATOM 0 HB2 GLU A 130 39.166 -7.735 -39.725 1.00 50.23 H new ATOM 0 HB3 GLU A 130 37.630 -8.578 -39.760 1.00 50.23 H new ATOM 0 HG2 GLU A 130 38.865 -10.168 -41.472 1.00 61.43 H new ATOM 0 HG3 GLU A 130 40.317 -9.495 -40.758 1.00 61.43 H new ATOM 1865 N VAL A 131 36.338 -6.134 -41.101 1.00 22.44 N ATOM 1866 CA VAL A 131 34.950 -5.694 -41.036 1.00 10.24 C ATOM 1867 C VAL A 131 34.624 -4.734 -42.175 1.00 42.14 C ATOM 1868 O VAL A 131 35.430 -4.537 -43.085 1.00 70.23 O ATOM 1869 CB VAL A 131 34.643 -5.004 -39.694 1.00 34.53 C ATOM 1870 CG1 VAL A 131 35.017 -5.909 -38.530 1.00 34.31 C ATOM 1871 CG2 VAL A 131 35.372 -3.672 -39.601 1.00 43.00 C ATOM 0 H VAL A 131 37.010 -5.466 -40.723 1.00 22.44 H new ATOM 0 HA VAL A 131 34.330 -6.586 -41.128 1.00 10.24 H new ATOM 0 HB VAL A 131 33.572 -4.810 -39.642 1.00 34.53 H new ATOM 0 HG11 VAL A 131 34.793 -5.404 -37.590 1.00 34.31 H new ATOM 0 HG12 VAL A 131 34.445 -6.835 -38.590 1.00 34.31 H new ATOM 0 HG13 VAL A 131 36.082 -6.137 -38.574 1.00 34.31 H new ATOM 0 HG21 VAL A 131 35.144 -3.198 -38.646 1.00 43.00 H new ATOM 0 HG22 VAL A 131 36.447 -3.839 -39.675 1.00 43.00 H new ATOM 0 HG23 VAL A 131 35.049 -3.023 -40.415 1.00 43.00 H new ATOM 1881 N SER A 132 33.437 -4.140 -42.118 1.00 12.23 N ATOM 1882 CA SER A 132 33.001 -3.202 -43.147 1.00 3.43 C ATOM 1883 C SER A 132 31.864 -2.323 -42.635 1.00 22.15 C ATOM 1884 O SER A 132 31.807 -1.129 -42.929 1.00 11.01 O ATOM 1885 CB SER A 132 32.553 -3.960 -44.399 1.00 55.34 C ATOM 1886 OG SER A 132 31.956 -5.199 -44.060 1.00 43.44 O ATOM 0 H SER A 132 32.760 -4.291 -41.371 1.00 12.23 H new ATOM 0 HA SER A 132 33.845 -2.561 -43.401 1.00 3.43 H new ATOM 0 HB2 SER A 132 31.843 -3.353 -44.961 1.00 55.34 H new ATOM 0 HB3 SER A 132 33.410 -4.132 -45.050 1.00 55.34 H new ATOM 0 HG SER A 132 31.677 -5.662 -44.877 1.00 43.44 H new ATOM 1891 N LEU A 133 30.960 -2.923 -41.869 1.00 63.31 N ATOM 1892 CA LEU A 133 29.824 -2.196 -41.315 1.00 40.12 C ATOM 1893 C LEU A 133 30.136 -1.683 -39.913 1.00 62.12 C ATOM 1894 O LEU A 133 30.572 -2.442 -39.047 1.00 30.50 O ATOM 1895 CB LEU A 133 28.587 -3.096 -41.277 1.00 3.13 C ATOM 1896 CG LEU A 133 27.235 -2.381 -41.285 1.00 33.52 C ATOM 1897 CD1 LEU A 133 27.064 -1.549 -40.022 1.00 2.43 C ATOM 1898 CD2 LEU A 133 27.103 -1.507 -42.524 1.00 60.05 C ATOM 0 H LEU A 133 30.992 -3.911 -41.617 1.00 63.31 H new ATOM 0 HA LEU A 133 29.624 -1.340 -41.959 1.00 40.12 H new ATOM 0 HB2 LEU A 133 28.625 -3.768 -42.134 1.00 3.13 H new ATOM 0 HB3 LEU A 133 28.642 -3.717 -40.383 1.00 3.13 H new ATOM 0 HG LEU A 133 26.447 -3.133 -41.309 1.00 33.52 H new ATOM 0 HD11 LEU A 133 26.097 -1.047 -40.045 1.00 2.43 H new ATOM 0 HD12 LEU A 133 27.115 -2.199 -39.148 1.00 2.43 H new ATOM 0 HD13 LEU A 133 27.858 -0.804 -39.967 1.00 2.43 H new ATOM 0 HD21 LEU A 133 26.135 -1.005 -42.514 1.00 60.05 H new ATOM 0 HD22 LEU A 133 27.898 -0.761 -42.530 1.00 60.05 H new ATOM 0 HD23 LEU A 133 27.181 -2.127 -43.417 1.00 60.05 H new ATOM 1909 N ILE A 134 29.908 -0.392 -39.696 1.00 1.31 N ATOM 1910 CA ILE A 134 30.162 0.221 -38.399 1.00 60.21 C ATOM 1911 C ILE A 134 28.990 1.093 -37.963 1.00 42.52 C ATOM 1912 O ILE A 134 28.409 1.819 -38.771 1.00 64.31 O ATOM 1913 CB ILE A 134 31.443 1.076 -38.421 1.00 12.11 C ATOM 1914 CG1 ILE A 134 31.621 1.802 -37.086 1.00 50.13 C ATOM 1915 CG2 ILE A 134 31.394 2.073 -39.570 1.00 42.23 C ATOM 1916 CD1 ILE A 134 31.950 0.878 -35.935 1.00 65.33 C ATOM 0 H ILE A 134 29.548 0.250 -40.402 1.00 1.31 H new ATOM 0 HA ILE A 134 30.291 -0.593 -37.686 1.00 60.21 H new ATOM 0 HB ILE A 134 32.299 0.418 -38.572 1.00 12.11 H new ATOM 0 HG12 ILE A 134 32.416 2.541 -37.187 1.00 50.13 H new ATOM 0 HG13 ILE A 134 30.706 2.347 -36.853 1.00 50.13 H new ATOM 0 HG21 ILE A 134 32.306 2.670 -39.573 1.00 42.23 H new ATOM 0 HG22 ILE A 134 31.309 1.536 -40.515 1.00 42.23 H new ATOM 0 HG23 ILE A 134 30.532 2.728 -39.447 1.00 42.23 H new ATOM 0 HD11 ILE A 134 32.062 1.461 -35.021 1.00 65.33 H new ATOM 0 HD12 ILE A 134 31.145 0.155 -35.807 1.00 65.33 H new ATOM 0 HD13 ILE A 134 32.881 0.351 -36.146 1.00 65.33 H new ATOM 1927 N SER A 135 28.646 1.017 -36.682 1.00 71.35 N ATOM 1928 CA SER A 135 27.541 1.799 -36.138 1.00 5.53 C ATOM 1929 C SER A 135 28.019 2.701 -35.005 1.00 11.42 C ATOM 1930 O SER A 135 29.084 2.478 -34.426 1.00 54.33 O ATOM 1931 CB SER A 135 26.434 0.871 -35.634 1.00 54.25 C ATOM 1932 OG SER A 135 25.333 1.615 -35.139 1.00 45.32 O ATOM 0 H SER A 135 29.116 0.422 -36.000 1.00 71.35 H new ATOM 0 HA SER A 135 27.145 2.427 -36.936 1.00 5.53 H new ATOM 0 HB2 SER A 135 26.103 0.221 -36.444 1.00 54.25 H new ATOM 0 HB3 SER A 135 26.825 0.226 -34.847 1.00 54.25 H new ATOM 0 HG SER A 135 24.638 1.000 -34.824 1.00 45.32 H new ATOM 1937 N CYS A 136 27.226 3.720 -34.695 1.00 63.11 N ATOM 1938 CA CYS A 136 27.567 4.659 -33.632 1.00 1.10 C ATOM 1939 C CYS A 136 27.163 4.106 -32.269 1.00 62.03 C ATOM 1940 O CYS A 136 26.160 3.403 -32.145 1.00 51.02 O ATOM 1941 CB CYS A 136 26.885 6.005 -33.873 1.00 52.44 C ATOM 1942 SG CYS A 136 27.212 7.239 -32.592 1.00 31.33 S ATOM 0 H CYS A 136 26.342 3.917 -35.164 1.00 63.11 H new ATOM 0 HA CYS A 136 28.648 4.802 -33.640 1.00 1.10 H new ATOM 0 HB2 CYS A 136 27.213 6.399 -34.835 1.00 52.44 H new ATOM 0 HB3 CYS A 136 25.809 5.847 -33.944 1.00 52.44 H new ATOM 0 HG CYS A 136 27.424 8.395 -33.147 1.00 31.33 H new ATOM 1946 N ASP A 137 27.951 4.428 -31.249 1.00 54.44 N ATOM 1947 CA ASP A 137 27.675 3.963 -29.894 1.00 30.33 C ATOM 1948 C ASP A 137 26.977 5.047 -29.079 1.00 35.20 C ATOM 1949 O ASP A 137 27.442 5.431 -28.005 1.00 24.23 O ATOM 1950 CB ASP A 137 28.973 3.545 -29.201 1.00 32.24 C ATOM 1951 CG ASP A 137 29.492 2.212 -29.702 1.00 22.34 C ATOM 1952 OD1 ASP A 137 28.961 1.709 -30.715 1.00 32.41 O ATOM 1953 OD2 ASP A 137 30.432 1.670 -29.081 1.00 75.04 O ATOM 0 H ASP A 137 28.785 5.009 -31.334 1.00 54.44 H new ATOM 0 HA ASP A 137 27.013 3.100 -29.961 1.00 30.33 H new ATOM 0 HB2 ASP A 137 29.731 4.311 -29.363 1.00 32.24 H new ATOM 0 HB3 ASP A 137 28.805 3.485 -28.126 1.00 32.24 H new ATOM 1957 N THR A 138 25.856 5.540 -29.598 1.00 61.11 N ATOM 1958 CA THR A 138 25.094 6.582 -28.921 1.00 54.43 C ATOM 1959 C THR A 138 23.795 6.881 -29.660 1.00 33.10 C ATOM 1960 O THR A 138 22.704 6.712 -29.114 1.00 3.33 O ATOM 1961 CB THR A 138 25.910 7.882 -28.792 1.00 40.43 C ATOM 1962 OG1 THR A 138 27.117 7.779 -29.555 1.00 31.51 O ATOM 1963 CG2 THR A 138 26.246 8.169 -27.336 1.00 4.43 C ATOM 0 H THR A 138 25.456 5.234 -30.485 1.00 61.11 H new ATOM 0 HA THR A 138 24.863 6.207 -27.924 1.00 54.43 H new ATOM 0 HB THR A 138 25.306 8.704 -29.177 1.00 40.43 H new ATOM 0 HG1 THR A 138 26.896 7.651 -30.501 1.00 31.51 H new ATOM 0 HG21 THR A 138 26.822 9.092 -27.271 1.00 4.43 H new ATOM 0 HG22 THR A 138 25.324 8.276 -26.764 1.00 4.43 H new ATOM 0 HG23 THR A 138 26.832 7.345 -26.929 1.00 4.43 H new ATOM 1971 N CYS A 139 23.918 7.327 -30.906 1.00 75.12 N ATOM 1972 CA CYS A 139 22.754 7.651 -31.721 1.00 71.01 C ATOM 1973 C CYS A 139 22.469 6.541 -32.728 1.00 23.12 C ATOM 1974 O CYS A 139 23.265 5.614 -32.888 1.00 74.44 O ATOM 1975 CB CYS A 139 22.971 8.977 -32.455 1.00 44.12 C ATOM 1976 SG CYS A 139 24.112 8.864 -33.871 1.00 44.34 S ATOM 0 H CYS A 139 24.813 7.472 -31.373 1.00 75.12 H new ATOM 0 HA CYS A 139 21.894 7.747 -31.059 1.00 71.01 H new ATOM 0 HB2 CYS A 139 22.008 9.347 -32.807 1.00 44.12 H new ATOM 0 HB3 CYS A 139 23.357 9.712 -31.749 1.00 44.12 H new ATOM 0 HG CYS A 139 25.222 8.304 -33.490 1.00 44.34 H new ATOM 1980 N SER A 140 21.330 6.641 -33.405 1.00 52.25 N ATOM 1981 CA SER A 140 20.938 5.643 -34.394 1.00 73.45 C ATOM 1982 C SER A 140 21.457 6.018 -35.779 1.00 33.11 C ATOM 1983 O SER A 140 20.753 6.650 -36.569 1.00 45.14 O ATOM 1984 CB SER A 140 19.416 5.500 -34.429 1.00 13.42 C ATOM 1985 OG SER A 140 18.948 4.752 -33.319 1.00 54.03 O ATOM 0 H SER A 140 20.662 7.403 -33.287 1.00 52.25 H new ATOM 0 HA SER A 140 21.379 4.689 -34.106 1.00 73.45 H new ATOM 0 HB2 SER A 140 18.955 6.488 -34.427 1.00 13.42 H new ATOM 0 HB3 SER A 140 19.115 5.010 -35.355 1.00 13.42 H new ATOM 0 HG SER A 140 17.972 4.676 -33.364 1.00 54.03 H new ATOM 1990 N LEU A 141 22.692 5.626 -36.067 1.00 64.11 N ATOM 1991 CA LEU A 141 23.307 5.920 -37.357 1.00 24.54 C ATOM 1992 C LEU A 141 24.305 4.833 -37.745 1.00 31.13 C ATOM 1993 O LEU A 141 24.995 4.276 -36.891 1.00 10.21 O ATOM 1994 CB LEU A 141 24.009 7.279 -37.311 1.00 50.01 C ATOM 1995 CG LEU A 141 25.096 7.508 -38.362 1.00 21.42 C ATOM 1996 CD1 LEU A 141 24.498 7.493 -39.761 1.00 42.31 C ATOM 1997 CD2 LEU A 141 25.819 8.823 -38.104 1.00 41.40 C ATOM 0 H LEU A 141 23.288 5.104 -35.425 1.00 64.11 H new ATOM 0 HA LEU A 141 22.519 5.949 -38.109 1.00 24.54 H new ATOM 0 HB2 LEU A 141 23.255 8.059 -37.421 1.00 50.01 H new ATOM 0 HB3 LEU A 141 24.454 7.402 -36.324 1.00 50.01 H new ATOM 0 HG LEU A 141 25.821 6.697 -38.290 1.00 21.42 H new ATOM 0 HD11 LEU A 141 25.286 7.658 -40.495 1.00 42.31 H new ATOM 0 HD12 LEU A 141 24.027 6.528 -39.945 1.00 42.31 H new ATOM 0 HD13 LEU A 141 23.752 8.283 -39.846 1.00 42.31 H new ATOM 0 HD21 LEU A 141 26.589 8.970 -38.861 1.00 41.40 H new ATOM 0 HD22 LEU A 141 25.105 9.646 -38.148 1.00 41.40 H new ATOM 0 HD23 LEU A 141 26.281 8.797 -37.117 1.00 41.40 H new ATOM 2008 N ILE A 142 24.376 4.537 -39.039 1.00 72.52 N ATOM 2009 CA ILE A 142 25.291 3.520 -39.540 1.00 42.20 C ATOM 2010 C ILE A 142 26.204 4.087 -40.622 1.00 32.13 C ATOM 2011 O ILE A 142 25.791 4.930 -41.418 1.00 63.33 O ATOM 2012 CB ILE A 142 24.529 2.309 -40.110 1.00 31.30 C ATOM 2013 CG1 ILE A 142 23.504 1.800 -39.094 1.00 1.23 C ATOM 2014 CG2 ILE A 142 25.501 1.203 -40.490 1.00 4.14 C ATOM 2015 CD1 ILE A 142 24.123 1.327 -37.797 1.00 74.14 C ATOM 0 H ILE A 142 23.811 4.987 -39.759 1.00 72.52 H new ATOM 0 HA ILE A 142 25.894 3.194 -38.693 1.00 42.20 H new ATOM 0 HB ILE A 142 23.997 2.622 -41.008 1.00 31.30 H new ATOM 0 HG12 ILE A 142 22.792 2.596 -38.878 1.00 1.23 H new ATOM 0 HG13 ILE A 142 22.940 0.980 -39.538 1.00 1.23 H new ATOM 0 HG21 ILE A 142 24.947 0.354 -40.891 1.00 4.14 H new ATOM 0 HG22 ILE A 142 26.196 1.572 -41.244 1.00 4.14 H new ATOM 0 HG23 ILE A 142 26.058 0.889 -39.607 1.00 4.14 H new ATOM 0 HD11 ILE A 142 23.338 0.980 -37.124 1.00 74.14 H new ATOM 0 HD12 ILE A 142 24.814 0.509 -38.001 1.00 74.14 H new ATOM 0 HD13 ILE A 142 24.663 2.151 -37.330 1.00 74.14 H new ATOM 2026 N ILE A 143 27.447 3.616 -40.645 1.00 32.22 N ATOM 2027 CA ILE A 143 28.418 4.074 -41.631 1.00 14.42 C ATOM 2028 C ILE A 143 29.191 2.902 -42.228 1.00 74.53 C ATOM 2029 O ILE A 143 29.149 1.789 -41.704 1.00 31.14 O ATOM 2030 CB ILE A 143 29.416 5.074 -41.017 1.00 51.42 C ATOM 2031 CG1 ILE A 143 29.506 4.873 -39.504 1.00 44.45 C ATOM 2032 CG2 ILE A 143 29.005 6.501 -41.344 1.00 62.14 C ATOM 2033 CD1 ILE A 143 30.811 5.351 -38.907 1.00 43.34 C ATOM 0 H ILE A 143 27.805 2.918 -39.993 1.00 32.22 H new ATOM 0 HA ILE A 143 27.855 4.574 -42.419 1.00 14.42 H new ATOM 0 HB ILE A 143 30.401 4.893 -41.448 1.00 51.42 H new ATOM 0 HG12 ILE A 143 28.682 5.402 -39.026 1.00 44.45 H new ATOM 0 HG13 ILE A 143 29.379 3.814 -39.278 1.00 44.45 H new ATOM 0 HG21 ILE A 143 29.720 7.196 -40.903 1.00 62.14 H new ATOM 0 HG22 ILE A 143 28.988 6.636 -42.425 1.00 62.14 H new ATOM 0 HG23 ILE A 143 28.012 6.696 -40.938 1.00 62.14 H new ATOM 0 HD11 ILE A 143 30.804 5.177 -37.831 1.00 43.34 H new ATOM 0 HD12 ILE A 143 31.639 4.804 -39.358 1.00 43.34 H new ATOM 0 HD13 ILE A 143 30.931 6.417 -39.101 1.00 43.34 H new ATOM 2044 N GLU A 144 29.896 3.162 -43.324 1.00 61.42 N ATOM 2045 CA GLU A 144 30.679 2.128 -43.990 1.00 30.13 C ATOM 2046 C GLU A 144 32.164 2.479 -43.979 1.00 4.22 C ATOM 2047 O GLU A 144 32.569 3.533 -44.470 1.00 40.24 O ATOM 2048 CB GLU A 144 30.200 1.942 -45.431 1.00 55.33 C ATOM 2049 CG GLU A 144 28.825 1.303 -45.537 1.00 72.22 C ATOM 2050 CD GLU A 144 28.118 1.651 -46.832 1.00 53.55 C ATOM 2051 OE1 GLU A 144 28.566 1.182 -47.898 1.00 1.31 O ATOM 2052 OE2 GLU A 144 27.114 2.393 -46.778 1.00 13.21 O ATOM 0 H GLU A 144 29.941 4.079 -43.769 1.00 61.42 H new ATOM 0 HA GLU A 144 30.539 1.195 -43.445 1.00 30.13 H new ATOM 0 HB2 GLU A 144 30.180 2.913 -45.926 1.00 55.33 H new ATOM 0 HB3 GLU A 144 30.921 1.325 -45.968 1.00 55.33 H new ATOM 0 HG2 GLU A 144 28.925 0.220 -45.462 1.00 72.22 H new ATOM 0 HG3 GLU A 144 28.213 1.626 -44.695 1.00 72.22 H new ATOM 2057 N LEU A 145 32.972 1.588 -43.414 1.00 24.31 N ATOM 2058 CA LEU A 145 34.413 1.802 -43.337 1.00 23.23 C ATOM 2059 C LEU A 145 35.106 1.300 -44.600 1.00 12.25 C ATOM 2060 O LEU A 145 35.392 0.110 -44.733 1.00 3.21 O ATOM 2061 CB LEU A 145 34.989 1.093 -42.110 1.00 21.43 C ATOM 2062 CG LEU A 145 34.554 -0.359 -41.907 1.00 55.22 C ATOM 2063 CD1 LEU A 145 35.763 -1.251 -41.670 1.00 73.35 C ATOM 2064 CD2 LEU A 145 33.574 -0.464 -40.747 1.00 44.41 C ATOM 0 H LEU A 145 32.654 0.711 -43.003 1.00 24.31 H new ATOM 0 HA LEU A 145 34.592 2.873 -43.247 1.00 23.23 H new ATOM 0 HB2 LEU A 145 36.077 1.119 -42.178 1.00 21.43 H new ATOM 0 HB3 LEU A 145 34.711 1.662 -41.223 1.00 21.43 H new ATOM 0 HG LEU A 145 34.052 -0.698 -42.813 1.00 55.22 H new ATOM 0 HD11 LEU A 145 35.433 -2.280 -41.528 1.00 73.35 H new ATOM 0 HD12 LEU A 145 36.428 -1.199 -42.532 1.00 73.35 H new ATOM 0 HD13 LEU A 145 36.295 -0.914 -40.780 1.00 73.35 H new ATOM 0 HD21 LEU A 145 33.275 -1.504 -40.617 1.00 44.41 H new ATOM 0 HD22 LEU A 145 34.051 -0.106 -39.834 1.00 44.41 H new ATOM 0 HD23 LEU A 145 32.694 0.143 -40.958 1.00 44.41 H new ATOM 2075 N LEU A 146 35.375 2.215 -45.524 1.00 33.14 N ATOM 2076 CA LEU A 146 36.037 1.868 -46.776 1.00 2.33 C ATOM 2077 C LEU A 146 37.482 2.355 -46.782 1.00 33.04 C ATOM 2078 O LEU A 146 37.742 3.559 -46.808 1.00 64.05 O ATOM 2079 CB LEU A 146 35.279 2.468 -47.961 1.00 12.21 C ATOM 2080 CG LEU A 146 33.763 2.583 -47.801 1.00 41.15 C ATOM 2081 CD1 LEU A 146 33.137 3.185 -49.049 1.00 23.34 C ATOM 2082 CD2 LEU A 146 33.154 1.220 -47.501 1.00 21.21 C ATOM 0 H LEU A 146 35.145 3.204 -45.430 1.00 33.14 H new ATOM 0 HA LEU A 146 36.039 0.782 -46.867 1.00 2.33 H new ATOM 0 HB2 LEU A 146 35.680 3.463 -48.157 1.00 12.21 H new ATOM 0 HB3 LEU A 146 35.486 1.862 -48.843 1.00 12.21 H new ATOM 0 HG LEU A 146 33.555 3.246 -46.961 1.00 41.15 H new ATOM 0 HD11 LEU A 146 32.058 3.259 -48.915 1.00 23.34 H new ATOM 0 HD12 LEU A 146 33.550 4.179 -49.220 1.00 23.34 H new ATOM 0 HD13 LEU A 146 33.354 2.549 -49.908 1.00 23.34 H new ATOM 0 HD21 LEU A 146 32.074 1.320 -47.390 1.00 21.21 H new ATOM 0 HD22 LEU A 146 33.373 0.535 -48.321 1.00 21.21 H new ATOM 0 HD23 LEU A 146 33.579 0.827 -46.577 1.00 21.21 H new ATOM 2093 N HIS A 147 38.420 1.413 -46.761 1.00 41.11 N ATOM 2094 CA HIS A 147 39.840 1.747 -46.767 1.00 40.24 C ATOM 2095 C HIS A 147 40.173 2.682 -47.925 1.00 52.41 C ATOM 2096 O HIS A 147 40.733 3.760 -47.724 1.00 15.43 O ATOM 2097 CB HIS A 147 40.684 0.475 -46.864 1.00 74.34 C ATOM 2098 CG HIS A 147 41.891 0.490 -45.977 1.00 11.45 C ATOM 2099 ND1 HIS A 147 42.098 -0.431 -44.972 1.00 73.22 N ATOM 2100 CD2 HIS A 147 42.961 1.319 -45.953 1.00 53.31 C ATOM 2101 CE1 HIS A 147 43.241 -0.167 -44.365 1.00 31.42 C ATOM 2102 NE2 HIS A 147 43.785 0.890 -44.942 1.00 71.22 N ATOM 0 H HIS A 147 38.222 0.413 -46.740 1.00 41.11 H new ATOM 0 HA HIS A 147 40.072 2.258 -45.833 1.00 40.24 H new ATOM 0 HB2 HIS A 147 40.064 -0.384 -46.606 1.00 74.34 H new ATOM 0 HB3 HIS A 147 41.004 0.338 -47.897 1.00 74.34 H new ATOM 0 HD2 HIS A 147 43.134 2.161 -46.607 1.00 53.31 H new ATOM 0 HE1 HIS A 147 43.660 -0.721 -43.538 1.00 31.42 H new ATOM 0 HE2 HIS A 147 44.673 1.318 -44.679 1.00 71.22 H new