USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 978 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 123 CYS SG : rot -167:sc= -2.97 USER MOD Set 1.2: A 128 CYS SG : rot -120:sc= 0.348 USER MOD Set 1.3: A 141 HIS : no HD1:sc= -2.25 K(o=-19,f=-21) USER MOD Set 1.4: A 142 MET CE :methyl -143:sc= -2.78 (180deg=-0.161) USER MOD Set 1.5: A 145 HIS : no HE2:sc= -10.9! C(o=-19!,f=-23!) USER MOD Set 2.1: A 93 CYS SG : rot 142:sc= -0.272 USER MOD Set 2.2: A 98 CYS SG : rot -172:sc= -0.734 USER MOD Set 2.3: A 111 HIS : no HE2:sc= -7.15! C(o=-8.2!,f=-6.9!) USER MOD Set 3.1: A 60 CYS SG : rot -46:sc= 0.317 USER MOD Set 3.2: A 65 CYS SG : rot 106:sc= -3.82! USER MOD Set 3.3: A 81 HIS : no HE2:sc= -3.73! C(o=-7.6!,f=-11!) USER MOD Set 3.4: A 85 HIS : no HE2:sc= -0.333 K(o=-7.6,f=-14!) USER MOD Set 4.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 77 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.016) USER MOD Set 5.1: A 58 HIS : no HD1:sc= -4.41 X(o=-3.3,f=-3.3!) USER MOD Set 5.2: A 75 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1.07) USER MOD Set 6.1: A 16 CYS SG : rot -100:sc= -1.91! USER MOD Set 6.2: A 31 CYS SG : rot 120:sc= -1.34 USER MOD Set 6.3: A 44 HIS : no HD1:sc= -5.71! C(o=-15!,f=-17!) USER MOD Set 6.4: A 49 HIS : no HE2:sc= -6.12! C(o=-15!,f=-16!) USER MOD Set 7.1: A 39 HIS : no HD1:sc= 0 X(o=0.38,f=0.29) USER MOD Set 7.2: A 43 THR OG1 : rot 82:sc= 0.377 USER MOD Set 8.1: A 17 LYS NZ :NH3+ -115:sc= -5.46! (180deg=-5.02!) USER MOD Set 8.2: A 30 SER OG : rot 47:sc= 0.0205 USER MOD Single : A 12 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -7.44! C(o=-7.4!,f=-12!) 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 38 MET CE :methyl 177:sc= -9.67! (180deg=-10.1!) USER MOD Single : A 46 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.87) USER MOD Single : A 56 ASN : amide:sc= -1.98! C(o=-2!,f=-2.4!) USER MOD Single : A 57 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.6!) USER MOD Single : A 61 TYR OH : rot 172:sc= -2.75! USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= -0.414 (180deg=-1.56!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.759 USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -0.127 (180deg=-0.664) USER MOD Single : A 80 ASN : amide:sc= -0.0664 K(o=-0.066,f=-0.63) USER MOD Single : A 86 THR OG1 : rot -38:sc= 0.311 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -17:sc= 0.0158 USER MOD Single : A 107 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.00018) USER MOD Single : A 109 LYS NZ :NH3+ 173:sc= 0.349 (180deg=0.325) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.2!) USER MOD Single : A 135 SER OG : rot 180:sc= -0.104 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -113:sc= -0.033 (180deg=-0.376) USER MOD Single : A 143 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 138 N GLN A 12 -10.098 6.150 -33.666 1.00 0.00 N ATOM 139 CA GLN A 12 -9.702 5.823 -32.302 1.00 0.00 C ATOM 140 C GLN A 12 -10.104 6.934 -31.337 1.00 0.00 C ATOM 141 O GLN A 12 -10.058 8.114 -31.683 1.00 0.00 O ATOM 142 CB GLN A 12 -8.192 5.589 -32.228 1.00 0.00 C ATOM 143 CG GLN A 12 -7.626 5.704 -30.822 1.00 0.00 C ATOM 144 CD GLN A 12 -6.316 4.960 -30.657 1.00 0.00 C ATOM 145 OE1 GLN A 12 -6.048 4.376 -29.606 1.00 0.00 O ATOM 146 NE2 GLN A 12 -5.491 4.976 -31.697 1.00 0.00 N ATOM 0 HA GLN A 12 -10.219 4.909 -32.011 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.967 4.598 -32.621 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.689 6.310 -32.873 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.475 6.756 -30.580 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.353 5.315 -30.109 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.753 5.472 -32.549 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.595 4.492 -31.645 1.00 0.00 H new ATOM 155 N GLU A 13 -10.496 6.548 -30.127 1.00 0.00 N ATOM 156 CA GLU A 13 -10.907 7.513 -29.114 1.00 0.00 C ATOM 157 C GLU A 13 -9.738 7.876 -28.203 1.00 0.00 C ATOM 158 O GLU A 13 -9.033 7.000 -27.700 1.00 0.00 O ATOM 159 CB GLU A 13 -12.062 6.952 -28.282 1.00 0.00 C ATOM 160 CG GLU A 13 -13.424 7.133 -28.930 1.00 0.00 C ATOM 161 CD GLU A 13 -14.441 6.118 -28.445 1.00 0.00 C ATOM 162 OE1 GLU A 13 -14.023 5.055 -27.941 1.00 0.00 O ATOM 163 OE2 GLU A 13 -15.654 6.387 -28.570 1.00 0.00 O ATOM 0 H GLU A 13 -10.538 5.575 -29.825 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.242 8.416 -29.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.890 5.890 -28.108 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.066 7.439 -27.307 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.791 8.138 -28.721 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.321 7.050 -30.012 1.00 0.00 H new ATOM 170 N LEU A 14 -9.538 9.173 -27.995 1.00 0.00 N ATOM 171 CA LEU A 14 -8.455 9.653 -27.145 1.00 0.00 C ATOM 172 C LEU A 14 -8.973 10.022 -25.759 1.00 0.00 C ATOM 173 O LEU A 14 -10.171 10.233 -25.568 1.00 0.00 O ATOM 174 CB LEU A 14 -7.775 10.864 -27.787 1.00 0.00 C ATOM 175 CG LEU A 14 -7.697 10.858 -29.314 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.582 12.278 -29.848 1.00 0.00 C ATOM 177 CD2 LEU A 14 -6.523 10.013 -29.785 1.00 0.00 C ATOM 0 H LEU A 14 -10.112 9.911 -28.404 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.727 8.849 -27.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.307 11.763 -27.474 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.762 10.939 -27.392 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.615 10.418 -29.704 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.528 12.254 -30.936 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.455 12.854 -29.541 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.681 12.745 -29.450 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.483 10.020 -30.874 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.596 10.423 -29.385 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.648 8.989 -29.433 1.00 0.00 H new ATOM 189 N SER A 15 -8.062 10.101 -24.794 1.00 0.00 N ATOM 190 CA SER A 15 -8.427 10.444 -23.424 1.00 0.00 C ATOM 191 C SER A 15 -7.594 11.617 -22.917 1.00 0.00 C ATOM 192 O SER A 15 -6.365 11.599 -22.991 1.00 0.00 O ATOM 193 CB SER A 15 -8.238 9.235 -22.506 1.00 0.00 C ATOM 194 OG SER A 15 -9.160 8.206 -22.821 1.00 0.00 O ATOM 0 H SER A 15 -7.066 9.932 -24.935 1.00 0.00 H new ATOM 0 HA SER A 15 -9.477 10.737 -23.416 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.220 8.857 -22.602 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.369 9.539 -21.467 1.00 0.00 H new ATOM 0 HG SER A 15 -9.017 7.444 -22.221 1.00 0.00 H new ATOM 200 N CYS A 16 -8.273 12.637 -22.402 1.00 0.00 N ATOM 201 CA CYS A 16 -7.598 13.820 -21.883 1.00 0.00 C ATOM 202 C CYS A 16 -7.743 13.907 -20.366 1.00 0.00 C ATOM 203 O CYS A 16 -8.727 14.443 -19.855 1.00 0.00 O ATOM 204 CB CYS A 16 -8.165 15.083 -22.534 1.00 0.00 C ATOM 205 SG CYS A 16 -7.672 16.631 -21.708 1.00 0.00 S ATOM 0 H CYS A 16 -9.290 12.668 -22.333 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.538 13.739 -22.125 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.841 15.120 -23.574 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.253 15.018 -22.541 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.644 17.048 -20.951 1.00 0.00 H new ATOM 210 N LYS A 17 -6.756 13.377 -19.652 1.00 0.00 N ATOM 211 CA LYS A 17 -6.771 13.396 -18.194 1.00 0.00 C ATOM 212 C LYS A 17 -6.005 14.600 -17.657 1.00 0.00 C ATOM 213 O LYS A 17 -4.777 14.579 -17.571 1.00 0.00 O ATOM 214 CB LYS A 17 -6.164 12.104 -17.641 1.00 0.00 C ATOM 215 CG LYS A 17 -6.539 10.867 -18.438 1.00 0.00 C ATOM 216 CD LYS A 17 -7.854 10.273 -17.961 1.00 0.00 C ATOM 217 CE LYS A 17 -8.997 11.267 -18.101 1.00 0.00 C ATOM 218 NZ LYS A 17 -9.269 11.982 -16.823 1.00 0.00 N ATOM 0 H LYS A 17 -5.935 12.929 -20.059 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.808 13.473 -17.867 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.078 12.200 -17.625 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.488 11.973 -16.609 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.617 11.124 -19.494 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.748 10.122 -18.348 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.079 9.375 -18.536 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.760 9.969 -16.919 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.755 11.992 -18.878 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.897 10.743 -18.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.216 11.727 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.558 11.710 -16.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.223 13.009 -16.983 1.00 0.00 H new ATOM 232 N TRP A 18 -6.737 15.648 -17.296 1.00 0.00 N ATOM 233 CA TRP A 18 -6.125 16.861 -16.766 1.00 0.00 C ATOM 234 C TRP A 18 -6.374 16.986 -15.267 1.00 0.00 C ATOM 235 O TRP A 18 -7.513 17.148 -14.829 1.00 0.00 O ATOM 236 CB TRP A 18 -6.673 18.092 -17.490 1.00 0.00 C ATOM 237 CG TRP A 18 -5.894 19.342 -17.211 1.00 0.00 C ATOM 238 CD1 TRP A 18 -5.869 20.047 -16.042 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.030 20.034 -18.118 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.041 21.137 -16.168 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.514 21.150 -17.432 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.641 19.819 -19.443 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.630 22.047 -18.028 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.764 20.709 -20.033 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.266 21.812 -19.325 1.00 0.00 C ATOM 0 H TRP A 18 -7.754 15.682 -17.361 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.050 16.798 -16.933 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.671 17.904 -18.564 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.711 18.246 -17.195 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.419 19.787 -15.150 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.850 21.824 -15.439 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.019 18.972 -19.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.246 22.898 -17.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.457 20.552 -21.057 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.581 22.489 -19.814 1.00 0.00 H new ATOM 256 N ILE A 19 -5.302 16.910 -14.485 1.00 0.00 N ATOM 257 CA ILE A 19 -5.406 17.017 -13.035 1.00 0.00 C ATOM 258 C ILE A 19 -4.773 18.310 -12.532 1.00 0.00 C ATOM 259 O ILE A 19 -3.560 18.498 -12.626 1.00 0.00 O ATOM 260 CB ILE A 19 -4.732 15.822 -12.333 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.205 14.506 -12.954 1.00 0.00 C ATOM 262 CG2 ILE A 19 -5.029 15.848 -10.842 1.00 0.00 C ATOM 263 CD1 ILE A 19 -5.064 13.317 -12.028 1.00 0.00 C ATOM 0 H ILE A 19 -4.352 16.775 -14.831 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.469 17.018 -12.794 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.653 15.899 -12.470 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.250 14.606 -13.247 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.636 14.317 -13.864 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.546 14.998 -10.360 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.648 16.774 -10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.106 15.791 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.418 12.418 -12.533 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.016 13.191 -11.755 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.656 13.484 -11.128 1.00 0.00 H new ATOM 275 N ASP A 20 -5.603 19.198 -11.996 1.00 0.00 N ATOM 276 CA ASP A 20 -5.125 20.473 -11.474 1.00 0.00 C ATOM 277 C ASP A 20 -4.628 20.322 -10.040 1.00 0.00 C ATOM 278 O ASP A 20 -5.294 19.712 -9.204 1.00 0.00 O ATOM 279 CB ASP A 20 -6.237 21.522 -11.534 1.00 0.00 C ATOM 280 CG ASP A 20 -6.022 22.651 -10.546 1.00 0.00 C ATOM 281 OD1 ASP A 20 -4.857 23.059 -10.357 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.018 23.126 -9.961 1.00 0.00 O ATOM 0 H ASP A 20 -6.610 19.058 -11.912 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.292 20.802 -12.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.292 21.931 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.195 21.043 -11.331 1.00 0.00 H new ATOM 287 N GLU A 21 -3.454 20.881 -9.764 1.00 0.00 N ATOM 288 CA GLU A 21 -2.868 20.806 -8.431 1.00 0.00 C ATOM 289 C GLU A 21 -3.564 21.771 -7.476 1.00 0.00 C ATOM 290 O GLU A 21 -3.808 21.444 -6.315 1.00 0.00 O ATOM 291 CB GLU A 21 -1.371 21.119 -8.489 1.00 0.00 C ATOM 292 CG GLU A 21 -1.026 22.270 -9.419 1.00 0.00 C ATOM 293 CD GLU A 21 0.371 22.810 -9.185 1.00 0.00 C ATOM 294 OE1 GLU A 21 1.318 21.998 -9.123 1.00 0.00 O ATOM 295 OE2 GLU A 21 0.519 24.044 -9.063 1.00 0.00 O ATOM 0 H GLU A 21 -2.891 21.390 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.005 19.791 -8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.019 21.356 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.834 20.227 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.114 21.936 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.750 23.073 -9.281 1.00 0.00 H new ATOM 302 N ALA A 22 -3.879 22.962 -7.973 1.00 0.00 N ATOM 303 CA ALA A 22 -4.548 23.975 -7.166 1.00 0.00 C ATOM 304 C ALA A 22 -6.061 23.788 -7.193 1.00 0.00 C ATOM 305 O ALA A 22 -6.816 24.750 -7.051 1.00 0.00 O ATOM 306 CB ALA A 22 -4.177 25.368 -7.653 1.00 0.00 C ATOM 0 H ALA A 22 -3.682 23.250 -8.932 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.213 23.862 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.684 26.114 -7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.099 25.506 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.482 25.483 -8.693 1.00 0.00 H new ATOM 312 N GLN A 23 -6.496 22.546 -7.377 1.00 0.00 N ATOM 313 CA GLN A 23 -7.920 22.235 -7.425 1.00 0.00 C ATOM 314 C GLN A 23 -8.503 22.140 -6.019 1.00 0.00 C ATOM 315 O GLN A 23 -7.891 21.564 -5.119 1.00 0.00 O ATOM 316 CB GLN A 23 -8.152 20.923 -8.175 1.00 0.00 C ATOM 317 CG GLN A 23 -7.896 19.685 -7.330 1.00 0.00 C ATOM 318 CD GLN A 23 -8.411 18.417 -7.982 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.595 18.093 -7.887 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.522 17.691 -8.650 1.00 0.00 N ATOM 0 H GLN A 23 -5.883 21.739 -7.495 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.425 23.042 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.179 20.899 -8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.504 20.895 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.825 19.588 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.373 19.808 -6.358 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.550 17.997 -8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.811 16.828 -9.110 1.00 0.00 H new ATOM 329 N LEU A 24 -9.689 22.710 -5.837 1.00 0.00 N ATOM 330 CA LEU A 24 -10.356 22.691 -4.539 1.00 0.00 C ATOM 331 C LEU A 24 -11.299 21.496 -4.430 1.00 0.00 C ATOM 332 O LEU A 24 -11.960 21.306 -3.409 1.00 0.00 O ATOM 333 CB LEU A 24 -11.134 23.990 -4.324 1.00 0.00 C ATOM 334 CG LEU A 24 -11.337 24.418 -2.870 1.00 0.00 C ATOM 335 CD1 LEU A 24 -11.603 25.913 -2.785 1.00 0.00 C ATOM 336 CD2 LEU A 24 -12.479 23.635 -2.239 1.00 0.00 C ATOM 0 H LEU A 24 -10.209 23.191 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.592 22.600 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.615 24.792 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.113 23.885 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.423 24.201 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.745 26.199 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.754 26.458 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.501 26.156 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.610 23.952 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.398 23.821 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.248 22.570 -2.266 1.00 0.00 H new ATOM 348 N SER A 25 -11.353 20.693 -5.487 1.00 0.00 N ATOM 349 CA SER A 25 -12.216 19.518 -5.510 1.00 0.00 C ATOM 350 C SER A 25 -11.455 18.276 -5.055 1.00 0.00 C ATOM 351 O SER A 25 -10.379 17.971 -5.571 1.00 0.00 O ATOM 352 CB SER A 25 -12.777 19.299 -6.917 1.00 0.00 C ATOM 353 OG SER A 25 -12.899 20.526 -7.614 1.00 0.00 O ATOM 0 H SER A 25 -10.810 20.834 -6.339 1.00 0.00 H new ATOM 0 HA SER A 25 -13.042 19.690 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.124 18.626 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.752 18.816 -6.852 1.00 0.00 H new ATOM 0 HG SER A 25 -13.258 20.359 -8.510 1.00 0.00 H new ATOM 359 N ARG A 26 -12.021 17.565 -4.086 1.00 0.00 N ATOM 360 CA ARG A 26 -11.396 16.357 -3.560 1.00 0.00 C ATOM 361 C ARG A 26 -12.381 15.192 -3.557 1.00 0.00 C ATOM 362 O ARG A 26 -13.562 15.347 -3.244 1.00 0.00 O ATOM 363 CB ARG A 26 -10.876 16.603 -2.143 1.00 0.00 C ATOM 364 CG ARG A 26 -10.411 15.339 -1.437 1.00 0.00 C ATOM 365 CD ARG A 26 -8.905 15.161 -1.547 1.00 0.00 C ATOM 366 NE ARG A 26 -8.509 13.761 -1.425 1.00 0.00 N ATOM 367 CZ ARG A 26 -8.339 13.144 -0.260 1.00 0.00 C ATOM 368 NH1 ARG A 26 -8.529 13.801 0.876 1.00 0.00 N ATOM 369 NH2 ARG A 26 -7.978 11.868 -0.231 1.00 0.00 N ATOM 0 H ARG A 26 -12.911 17.804 -3.649 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.558 16.100 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.048 17.310 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.664 17.070 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.698 15.382 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.913 14.474 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.563 15.552 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.413 15.746 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.354 13.227 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.806 14.782 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.398 13.325 1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.831 11.360 -1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.848 11.395 0.663 1.00 0.00 H new ATOM 383 N PRO A 27 -11.887 13.998 -3.914 1.00 0.00 N ATOM 384 CA PRO A 27 -10.483 13.802 -4.289 1.00 0.00 C ATOM 385 C PRO A 27 -10.145 14.451 -5.627 1.00 0.00 C ATOM 386 O PRO A 27 -11.036 14.824 -6.391 1.00 0.00 O ATOM 387 CB PRO A 27 -10.351 12.280 -4.385 1.00 0.00 C ATOM 388 CG PRO A 27 -11.729 11.798 -4.682 1.00 0.00 C ATOM 389 CD PRO A 27 -12.660 12.746 -3.979 1.00 0.00 C ATOM 0 HA PRO A 27 -9.802 14.258 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.653 11.992 -5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.975 11.856 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.917 11.791 -5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.870 10.777 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.591 12.877 -4.530 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.925 12.386 -2.985 1.00 0.00 H new ATOM 397 N LYS A 28 -8.853 14.584 -5.905 1.00 0.00 N ATOM 398 CA LYS A 28 -8.395 15.186 -7.151 1.00 0.00 C ATOM 399 C LYS A 28 -9.090 14.549 -8.350 1.00 0.00 C ATOM 400 O LYS A 28 -8.962 13.348 -8.589 1.00 0.00 O ATOM 401 CB LYS A 28 -6.878 15.037 -7.288 1.00 0.00 C ATOM 402 CG LYS A 28 -6.104 15.588 -6.103 1.00 0.00 C ATOM 403 CD LYS A 28 -5.836 17.076 -6.256 1.00 0.00 C ATOM 404 CE LYS A 28 -5.059 17.627 -5.070 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.927 17.807 -3.874 1.00 0.00 N ATOM 0 H LYS A 28 -8.103 14.282 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.648 16.246 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.635 13.982 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.551 15.548 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.666 15.411 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.158 15.055 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.275 17.253 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.782 17.609 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.240 16.950 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.612 18.583 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.361 18.184 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.694 18.473 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.334 16.890 -3.599 1.00 0.00 H new ATOM 419 N LYS A 29 -9.824 15.361 -9.103 1.00 0.00 N ATOM 420 CA LYS A 29 -10.537 14.878 -10.280 1.00 0.00 C ATOM 421 C LYS A 29 -9.830 15.312 -11.560 1.00 0.00 C ATOM 422 O LYS A 29 -9.149 16.336 -11.588 1.00 0.00 O ATOM 423 CB LYS A 29 -11.976 15.398 -10.279 1.00 0.00 C ATOM 424 CG LYS A 29 -12.714 15.141 -8.976 1.00 0.00 C ATOM 425 CD LYS A 29 -14.197 15.445 -9.107 1.00 0.00 C ATOM 426 CE LYS A 29 -14.909 15.336 -7.766 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.232 16.018 -7.784 1.00 0.00 N ATOM 0 H LYS A 29 -9.941 16.357 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.551 13.789 -10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.966 16.470 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.524 14.928 -11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.580 14.101 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.284 15.756 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.330 16.449 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.650 14.754 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.046 14.285 -7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.285 15.774 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.685 15.921 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.100 17.026 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.837 15.584 -8.510 1.00 0.00 H new ATOM 441 N SER A 30 -9.998 14.526 -12.619 1.00 0.00 N ATOM 442 CA SER A 30 -9.374 14.827 -13.902 1.00 0.00 C ATOM 443 C SER A 30 -10.401 15.368 -14.892 1.00 0.00 C ATOM 444 O SER A 30 -11.608 15.233 -14.688 1.00 0.00 O ATOM 445 CB SER A 30 -8.706 13.576 -14.475 1.00 0.00 C ATOM 446 OG SER A 30 -9.535 12.438 -14.317 1.00 0.00 O ATOM 0 H SER A 30 -10.561 13.676 -12.614 1.00 0.00 H new ATOM 0 HA SER A 30 -8.615 15.592 -13.738 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.489 13.728 -15.532 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.752 13.408 -13.975 1.00 0.00 H new ATOM 0 HG SER A 30 -10.449 12.658 -14.593 1.00 0.00 H new ATOM 452 N CYS A 31 -9.913 15.981 -15.965 1.00 0.00 N ATOM 453 CA CYS A 31 -10.787 16.543 -16.988 1.00 0.00 C ATOM 454 C CYS A 31 -11.812 15.514 -17.454 1.00 0.00 C ATOM 455 O CYS A 31 -13.018 15.750 -17.388 1.00 0.00 O ATOM 456 CB CYS A 31 -9.961 17.033 -18.180 1.00 0.00 C ATOM 457 SG CYS A 31 -10.921 17.235 -19.715 1.00 0.00 S ATOM 0 H CYS A 31 -8.917 16.101 -16.149 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.320 17.388 -16.551 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.502 17.988 -17.923 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.150 16.328 -18.361 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.858 18.473 -20.106 1.00 0.00 H new ATOM 462 N ASP A 32 -11.323 14.371 -17.924 1.00 0.00 N ATOM 463 CA ASP A 32 -12.197 13.305 -18.400 1.00 0.00 C ATOM 464 C ASP A 32 -12.877 13.701 -19.706 1.00 0.00 C ATOM 465 O ASP A 32 -14.105 13.709 -19.800 1.00 0.00 O ATOM 466 CB ASP A 32 -13.250 12.969 -17.343 1.00 0.00 C ATOM 467 CG ASP A 32 -12.738 13.174 -15.930 1.00 0.00 C ATOM 468 OD1 ASP A 32 -11.519 13.013 -15.712 1.00 0.00 O ATOM 469 OD2 ASP A 32 -13.557 13.493 -15.043 1.00 0.00 O ATOM 0 H ASP A 32 -10.327 14.159 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.584 12.422 -18.584 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.131 13.591 -17.501 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.566 11.933 -17.465 1.00 0.00 H new ATOM 474 N ARG A 33 -12.072 14.030 -20.711 1.00 0.00 N ATOM 475 CA ARG A 33 -12.596 14.430 -22.011 1.00 0.00 C ATOM 476 C ARG A 33 -12.190 13.432 -23.091 1.00 0.00 C ATOM 477 O ARG A 33 -11.157 12.770 -22.984 1.00 0.00 O ATOM 478 CB ARG A 33 -12.096 15.828 -22.378 1.00 0.00 C ATOM 479 CG ARG A 33 -12.317 16.190 -23.838 1.00 0.00 C ATOM 480 CD ARG A 33 -13.782 16.482 -24.124 1.00 0.00 C ATOM 481 NE ARG A 33 -14.057 16.550 -25.556 1.00 0.00 N ATOM 482 CZ ARG A 33 -15.269 16.748 -26.063 1.00 0.00 C ATOM 483 NH1 ARG A 33 -16.312 16.897 -25.258 1.00 0.00 N ATOM 484 NH2 ARG A 33 -15.439 16.798 -27.378 1.00 0.00 N ATOM 0 H ARG A 33 -11.054 14.027 -20.650 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.684 14.447 -21.947 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.601 16.562 -21.750 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.032 15.895 -22.153 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.715 17.062 -24.093 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.977 15.371 -24.472 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.401 15.707 -23.672 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.062 17.426 -23.656 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.276 16.439 -26.203 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.185 16.860 -24.247 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.241 17.049 -25.650 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.639 16.684 -28.000 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.370 16.950 -27.766 1.00 0.00 H new ATOM 498 N THR A 34 -13.010 13.329 -24.133 1.00 0.00 N ATOM 499 CA THR A 34 -12.738 12.411 -25.231 1.00 0.00 C ATOM 500 C THR A 34 -12.852 13.117 -26.578 1.00 0.00 C ATOM 501 O THR A 34 -13.415 14.207 -26.673 1.00 0.00 O ATOM 502 CB THR A 34 -13.701 11.209 -25.211 1.00 0.00 C ATOM 503 OG1 THR A 34 -15.002 11.631 -24.785 1.00 0.00 O ATOM 504 CG2 THR A 34 -13.187 10.119 -24.284 1.00 0.00 C ATOM 0 H THR A 34 -13.868 13.871 -24.239 1.00 0.00 H new ATOM 0 HA THR A 34 -11.718 12.051 -25.097 1.00 0.00 H new ATOM 0 HB THR A 34 -13.763 10.804 -26.221 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.609 10.862 -24.777 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.884 9.281 -24.287 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.210 9.780 -24.628 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.098 10.514 -23.272 1.00 0.00 H new ATOM 512 N PHE A 35 -12.314 12.487 -27.618 1.00 0.00 N ATOM 513 CA PHE A 35 -12.356 13.056 -28.960 1.00 0.00 C ATOM 514 C PHE A 35 -12.308 11.957 -30.017 1.00 0.00 C ATOM 515 O PHE A 35 -12.004 10.803 -29.716 1.00 0.00 O ATOM 516 CB PHE A 35 -11.189 14.025 -29.163 1.00 0.00 C ATOM 517 CG PHE A 35 -10.799 14.763 -27.914 1.00 0.00 C ATOM 518 CD1 PHE A 35 -10.202 14.096 -26.857 1.00 0.00 C ATOM 519 CD2 PHE A 35 -11.030 16.124 -27.798 1.00 0.00 C ATOM 520 CE1 PHE A 35 -9.842 14.772 -25.706 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.672 16.806 -26.650 1.00 0.00 C ATOM 522 CZ PHE A 35 -10.078 16.129 -25.603 1.00 0.00 C ATOM 0 H PHE A 35 -11.845 11.584 -27.557 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.294 13.600 -29.068 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.326 13.470 -29.532 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.457 14.748 -29.934 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -10.015 13.035 -26.933 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.495 16.658 -28.613 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.377 14.240 -24.889 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.857 17.867 -26.572 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.798 16.660 -24.705 1.00 0.00 H new ATOM 532 N SER A 36 -12.612 12.324 -31.258 1.00 0.00 N ATOM 533 CA SER A 36 -12.609 11.370 -32.361 1.00 0.00 C ATOM 534 C SER A 36 -11.297 11.440 -33.137 1.00 0.00 C ATOM 535 O SER A 36 -10.819 10.436 -33.665 1.00 0.00 O ATOM 536 CB SER A 36 -13.786 11.639 -33.300 1.00 0.00 C ATOM 537 OG SER A 36 -15.023 11.407 -32.648 1.00 0.00 O ATOM 0 H SER A 36 -12.864 13.276 -31.525 1.00 0.00 H new ATOM 0 HA SER A 36 -12.710 10.369 -31.942 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.745 12.669 -33.653 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.708 10.998 -34.178 1.00 0.00 H new ATOM 0 HG SER A 36 -15.759 11.588 -33.269 1.00 0.00 H new ATOM 543 N THR A 37 -10.719 12.636 -33.201 1.00 0.00 N ATOM 544 CA THR A 37 -9.464 12.840 -33.913 1.00 0.00 C ATOM 545 C THR A 37 -8.423 13.498 -33.014 1.00 0.00 C ATOM 546 O THR A 37 -8.752 14.032 -31.955 1.00 0.00 O ATOM 547 CB THR A 37 -9.665 13.709 -35.169 1.00 0.00 C ATOM 548 OG1 THR A 37 -10.327 14.929 -34.819 1.00 0.00 O ATOM 549 CG2 THR A 37 -10.480 12.965 -36.216 1.00 0.00 C ATOM 0 H THR A 37 -11.100 13.477 -32.768 1.00 0.00 H new ATOM 0 HA THR A 37 -9.108 11.855 -34.216 1.00 0.00 H new ATOM 0 HB THR A 37 -8.685 13.936 -35.589 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.450 15.477 -35.622 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.609 13.598 -37.094 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.959 12.051 -36.501 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.457 12.712 -35.804 1.00 0.00 H new ATOM 557 N MET A 38 -7.166 13.458 -33.445 1.00 0.00 N ATOM 558 CA MET A 38 -6.077 14.053 -32.679 1.00 0.00 C ATOM 559 C MET A 38 -6.242 15.567 -32.585 1.00 0.00 C ATOM 560 O MET A 38 -6.272 16.132 -31.492 1.00 0.00 O ATOM 561 CB MET A 38 -4.730 13.714 -33.319 1.00 0.00 C ATOM 562 CG MET A 38 -3.576 13.689 -32.329 1.00 0.00 C ATOM 563 SD MET A 38 -3.626 12.253 -31.240 1.00 0.00 S ATOM 564 CE MET A 38 -3.913 13.039 -29.657 1.00 0.00 C ATOM 0 H MET A 38 -6.877 13.020 -34.320 1.00 0.00 H new ATOM 0 HA MET A 38 -6.107 13.639 -31.671 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.802 12.741 -33.805 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.513 14.444 -34.099 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.633 13.693 -32.876 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.599 14.597 -31.727 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.022 12.276 -28.886 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.069 13.684 -29.413 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.823 13.636 -29.707 1.00 0.00 H new ATOM 574 N HIS A 39 -6.349 16.219 -33.739 1.00 0.00 N ATOM 575 CA HIS A 39 -6.511 17.667 -33.787 1.00 0.00 C ATOM 576 C HIS A 39 -7.536 18.133 -32.757 1.00 0.00 C ATOM 577 O HIS A 39 -7.409 19.217 -32.189 1.00 0.00 O ATOM 578 CB HIS A 39 -6.941 18.108 -35.187 1.00 0.00 C ATOM 579 CG HIS A 39 -6.804 19.581 -35.420 1.00 0.00 C ATOM 580 ND1 HIS A 39 -7.777 20.492 -35.068 1.00 0.00 N ATOM 581 CD2 HIS A 39 -5.798 20.300 -35.971 1.00 0.00 C ATOM 582 CE1 HIS A 39 -7.377 21.708 -35.395 1.00 0.00 C ATOM 583 NE2 HIS A 39 -6.179 21.619 -35.944 1.00 0.00 N ATOM 0 H HIS A 39 -6.326 15.767 -34.653 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.550 18.123 -33.550 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.344 17.575 -35.926 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.980 17.818 -35.347 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.869 19.909 -36.359 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.935 22.620 -35.240 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.627 22.403 -36.292 1.00 0.00 H new ATOM 591 N GLU A 40 -8.551 17.307 -32.523 1.00 0.00 N ATOM 592 CA GLU A 40 -9.597 17.637 -31.563 1.00 0.00 C ATOM 593 C GLU A 40 -9.045 17.656 -30.140 1.00 0.00 C ATOM 594 O GLU A 40 -9.427 18.496 -29.325 1.00 0.00 O ATOM 595 CB GLU A 40 -10.746 16.631 -31.662 1.00 0.00 C ATOM 596 CG GLU A 40 -11.769 16.979 -32.731 1.00 0.00 C ATOM 597 CD GLU A 40 -13.125 16.353 -32.467 1.00 0.00 C ATOM 598 OE1 GLU A 40 -13.164 15.183 -32.033 1.00 0.00 O ATOM 599 OE2 GLU A 40 -14.146 17.035 -32.694 1.00 0.00 O ATOM 0 H GLU A 40 -8.671 16.405 -32.985 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.972 18.632 -31.802 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.336 15.643 -31.871 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.248 16.570 -30.697 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.878 18.062 -32.786 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.402 16.646 -33.702 1.00 0.00 H new ATOM 606 N LEU A 41 -8.143 16.724 -29.850 1.00 0.00 N ATOM 607 CA LEU A 41 -7.537 16.631 -28.526 1.00 0.00 C ATOM 608 C LEU A 41 -6.544 17.767 -28.302 1.00 0.00 C ATOM 609 O LEU A 41 -6.459 18.324 -27.207 1.00 0.00 O ATOM 610 CB LEU A 41 -6.834 15.283 -28.359 1.00 0.00 C ATOM 611 CG LEU A 41 -6.049 15.093 -27.061 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.981 15.146 -25.860 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.286 13.776 -27.087 1.00 0.00 C ATOM 0 H LEU A 41 -7.815 16.022 -30.514 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.330 16.714 -27.783 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.583 14.494 -28.426 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.151 15.146 -29.197 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.329 15.906 -26.973 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.404 15.009 -24.945 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.483 16.113 -25.831 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.725 14.354 -25.942 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.733 13.657 -26.155 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.989 12.950 -27.199 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.589 13.776 -27.925 1.00 0.00 H new ATOM 625 N VAL A 42 -5.796 18.107 -29.347 1.00 0.00 N ATOM 626 CA VAL A 42 -4.810 19.178 -29.265 1.00 0.00 C ATOM 627 C VAL A 42 -5.483 20.527 -29.033 1.00 0.00 C ATOM 628 O VAL A 42 -5.195 21.218 -28.055 1.00 0.00 O ATOM 629 CB VAL A 42 -3.958 19.256 -30.545 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.024 20.456 -30.493 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.173 17.967 -30.741 1.00 0.00 C ATOM 0 H VAL A 42 -5.854 17.656 -30.260 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.162 18.948 -28.420 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.625 19.382 -31.398 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.430 20.495 -31.406 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.611 21.370 -30.403 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.361 20.364 -29.633 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.576 18.039 -31.650 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.515 17.808 -29.887 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.865 17.129 -30.827 1.00 0.00 H new ATOM 641 N THR A 43 -6.383 20.897 -29.939 1.00 0.00 N ATOM 642 CA THR A 43 -7.097 22.163 -29.835 1.00 0.00 C ATOM 643 C THR A 43 -7.768 22.305 -28.474 1.00 0.00 C ATOM 644 O THR A 43 -7.967 23.416 -27.981 1.00 0.00 O ATOM 645 CB THR A 43 -8.164 22.299 -30.937 1.00 0.00 C ATOM 646 OG1 THR A 43 -7.549 22.208 -32.228 1.00 0.00 O ATOM 647 CG2 THR A 43 -8.903 23.622 -30.814 1.00 0.00 C ATOM 0 H THR A 43 -6.635 20.337 -30.754 1.00 0.00 H new ATOM 0 HA THR A 43 -6.357 22.954 -29.957 1.00 0.00 H new ATOM 0 HB THR A 43 -8.882 21.488 -30.819 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.407 21.266 -32.457 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.651 23.695 -31.603 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.394 23.676 -29.842 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.194 24.445 -30.909 1.00 0.00 H new ATOM 655 N HIS A 44 -8.115 21.173 -27.869 1.00 0.00 N ATOM 656 CA HIS A 44 -8.763 21.172 -26.562 1.00 0.00 C ATOM 657 C HIS A 44 -7.733 21.298 -25.444 1.00 0.00 C ATOM 658 O HIS A 44 -7.736 22.271 -24.691 1.00 0.00 O ATOM 659 CB HIS A 44 -9.581 19.893 -26.377 1.00 0.00 C ATOM 660 CG HIS A 44 -9.957 19.624 -24.952 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.139 20.059 -24.391 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.300 18.959 -23.973 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.192 19.674 -23.128 1.00 0.00 C ATOM 664 NE2 HIS A 44 -10.088 19.005 -22.850 1.00 0.00 N ATOM 0 H HIS A 44 -7.958 20.245 -28.263 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.431 22.032 -26.514 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.488 19.962 -26.977 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.009 19.047 -26.759 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.335 18.481 -24.059 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.001 19.873 -22.440 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.858 18.590 -21.947 1.00 0.00 H new ATOM 672 N VAL A 45 -6.853 20.307 -25.342 1.00 0.00 N ATOM 673 CA VAL A 45 -5.817 20.307 -24.317 1.00 0.00 C ATOM 674 C VAL A 45 -5.006 21.597 -24.355 1.00 0.00 C ATOM 675 O VAL A 45 -4.379 21.980 -23.367 1.00 0.00 O ATOM 676 CB VAL A 45 -4.863 19.109 -24.482 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.692 19.221 -23.517 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.611 17.800 -24.277 1.00 0.00 C ATOM 0 H VAL A 45 -6.837 19.494 -25.957 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.324 20.228 -23.355 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.467 19.119 -25.498 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.029 18.366 -23.648 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.142 20.141 -23.717 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.065 19.237 -22.493 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.922 16.964 -24.397 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.037 17.778 -23.274 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.411 17.719 -25.013 1.00 0.00 H new ATOM 688 N THR A 46 -5.023 22.267 -25.504 1.00 0.00 N ATOM 689 CA THR A 46 -4.289 23.514 -25.672 1.00 0.00 C ATOM 690 C THR A 46 -5.173 24.718 -25.365 1.00 0.00 C ATOM 691 O THR A 46 -4.842 25.540 -24.511 1.00 0.00 O ATOM 692 CB THR A 46 -3.734 23.651 -27.102 1.00 0.00 C ATOM 693 OG1 THR A 46 -2.946 22.503 -27.434 1.00 0.00 O ATOM 694 CG2 THR A 46 -2.889 24.909 -27.237 1.00 0.00 C ATOM 0 H THR A 46 -5.538 21.966 -26.332 1.00 0.00 H new ATOM 0 HA THR A 46 -3.457 23.488 -24.968 1.00 0.00 H new ATOM 0 HB THR A 46 -4.577 23.723 -27.789 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.531 21.787 -27.759 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.508 24.984 -28.256 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.500 25.783 -27.013 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.053 24.862 -26.539 1.00 0.00 H new ATOM 702 N MET A 47 -6.298 24.814 -26.066 1.00 0.00 N ATOM 703 CA MET A 47 -7.230 25.917 -25.865 1.00 0.00 C ATOM 704 C MET A 47 -8.220 25.597 -24.750 1.00 0.00 C ATOM 705 O MET A 47 -8.421 26.397 -23.838 1.00 0.00 O ATOM 706 CB MET A 47 -7.984 26.218 -27.162 1.00 0.00 C ATOM 707 CG MET A 47 -7.098 26.209 -28.397 1.00 0.00 C ATOM 708 SD MET A 47 -7.903 26.939 -29.836 1.00 0.00 S ATOM 709 CE MET A 47 -6.557 27.895 -30.529 1.00 0.00 C ATOM 0 H MET A 47 -6.586 24.142 -26.777 1.00 0.00 H new ATOM 0 HA MET A 47 -6.656 26.797 -25.574 1.00 0.00 H new ATOM 0 HB2 MET A 47 -8.778 25.483 -27.290 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.463 27.193 -27.076 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.179 26.755 -28.184 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.813 25.182 -28.627 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.900 28.407 -31.428 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.219 28.631 -29.799 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.731 27.230 -30.782 1.00 0.00 H new ATOM 719 N GLU A 48 -8.837 24.421 -24.832 1.00 0.00 N ATOM 720 CA GLU A 48 -9.807 23.997 -23.829 1.00 0.00 C ATOM 721 C GLU A 48 -9.117 23.676 -22.507 1.00 0.00 C ATOM 722 O GLU A 48 -9.758 23.242 -21.549 1.00 0.00 O ATOM 723 CB GLU A 48 -10.581 22.773 -24.323 1.00 0.00 C ATOM 724 CG GLU A 48 -11.390 23.033 -25.584 1.00 0.00 C ATOM 725 CD GLU A 48 -12.710 23.721 -25.299 1.00 0.00 C ATOM 726 OE1 GLU A 48 -12.701 24.950 -25.071 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.752 23.033 -25.302 1.00 0.00 O ATOM 0 H GLU A 48 -8.682 23.747 -25.581 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.505 24.818 -23.665 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.878 21.962 -24.513 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.252 22.435 -23.534 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.804 23.648 -26.267 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.580 22.087 -26.091 1.00 0.00 H new ATOM 734 N HIS A 49 -7.806 23.892 -22.462 1.00 0.00 N ATOM 735 CA HIS A 49 -7.028 23.626 -21.257 1.00 0.00 C ATOM 736 C HIS A 49 -5.950 24.687 -21.061 1.00 0.00 C ATOM 737 O HIS A 49 -6.066 25.553 -20.193 1.00 0.00 O ATOM 738 CB HIS A 49 -6.388 22.240 -21.333 1.00 0.00 C ATOM 739 CG HIS A 49 -7.153 21.185 -20.595 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.872 21.442 -19.447 1.00 0.00 N ATOM 741 CD2 HIS A 49 -7.311 19.865 -20.849 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.438 20.325 -19.025 1.00 0.00 C ATOM 743 NE2 HIS A 49 -8.113 19.353 -19.859 1.00 0.00 N ATOM 0 H HIS A 49 -7.260 24.250 -23.246 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.705 23.659 -20.403 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.298 21.947 -22.379 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.377 22.293 -20.929 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.954 22.352 -18.994 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.885 19.317 -21.676 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.060 20.224 -18.148 1.00 0.00 H new ATOM 751 N VAL A 50 -4.900 24.614 -21.873 1.00 0.00 N ATOM 752 CA VAL A 50 -3.800 25.568 -21.789 1.00 0.00 C ATOM 753 C VAL A 50 -4.238 26.953 -22.254 1.00 0.00 C ATOM 754 O VAL A 50 -3.465 27.908 -22.205 1.00 0.00 O ATOM 755 CB VAL A 50 -2.596 25.112 -22.634 1.00 0.00 C ATOM 756 CG1 VAL A 50 -1.565 26.226 -22.738 1.00 0.00 C ATOM 757 CG2 VAL A 50 -1.977 23.855 -22.044 1.00 0.00 C ATOM 0 H VAL A 50 -4.788 23.904 -22.597 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.502 25.616 -20.742 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.947 24.879 -23.639 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.721 25.886 -23.339 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.018 27.098 -23.210 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.216 26.493 -21.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.128 23.547 -22.654 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.639 24.058 -21.028 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.720 23.057 -22.027 1.00 0.00 H new ATOM 767 N GLY A 51 -5.485 27.053 -22.704 1.00 0.00 N ATOM 768 CA GLY A 51 -6.005 28.326 -23.170 1.00 0.00 C ATOM 769 C GLY A 51 -5.423 28.734 -24.509 1.00 0.00 C ATOM 770 O GLY A 51 -4.695 27.967 -25.137 1.00 0.00 O ATOM 0 H GLY A 51 -6.144 26.276 -22.754 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.090 28.264 -23.253 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.785 29.097 -22.432 1.00 0.00 H new ATOM 774 N GLY A 52 -5.747 29.946 -24.948 1.00 0.00 N ATOM 775 CA GLY A 52 -5.244 30.433 -26.220 1.00 0.00 C ATOM 776 C GLY A 52 -4.134 31.452 -26.052 1.00 0.00 C ATOM 777 O GLY A 52 -3.499 31.543 -25.001 1.00 0.00 O ATOM 0 H GLY A 52 -6.348 30.599 -24.446 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.875 29.592 -26.808 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.062 30.881 -26.783 1.00 0.00 H new ATOM 781 N PRO A 53 -3.886 32.242 -27.108 1.00 0.00 N ATOM 782 CA PRO A 53 -2.844 33.272 -27.098 1.00 0.00 C ATOM 783 C PRO A 53 -3.193 34.441 -26.182 1.00 0.00 C ATOM 784 O PRO A 53 -2.431 35.400 -26.068 1.00 0.00 O ATOM 785 CB PRO A 53 -2.787 33.734 -28.556 1.00 0.00 C ATOM 786 CG PRO A 53 -4.140 33.431 -29.102 1.00 0.00 C ATOM 787 CD PRO A 53 -4.604 32.189 -28.392 1.00 0.00 C ATOM 0 HA PRO A 53 -1.896 32.889 -26.721 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.561 34.798 -28.626 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.010 33.206 -29.109 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.826 34.260 -28.927 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.100 33.273 -30.180 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.685 32.188 -28.248 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.356 31.289 -28.954 1.00 0.00 H new ATOM 795 N GLU A 54 -4.348 34.352 -25.531 1.00 0.00 N ATOM 796 CA GLU A 54 -4.797 35.403 -24.626 1.00 0.00 C ATOM 797 C GLU A 54 -4.617 34.981 -23.170 1.00 0.00 C ATOM 798 O GLU A 54 -5.060 35.673 -22.254 1.00 0.00 O ATOM 799 CB GLU A 54 -6.265 35.744 -24.891 1.00 0.00 C ATOM 800 CG GLU A 54 -6.590 35.929 -26.364 1.00 0.00 C ATOM 801 CD GLU A 54 -6.129 37.272 -26.898 1.00 0.00 C ATOM 802 OE1 GLU A 54 -6.013 38.222 -26.097 1.00 0.00 O ATOM 803 OE2 GLU A 54 -5.885 37.371 -28.119 1.00 0.00 O ATOM 0 H GLU A 54 -4.990 33.563 -25.613 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.187 36.288 -24.809 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.893 34.950 -24.486 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.520 36.657 -24.354 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.119 35.132 -26.939 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.666 35.834 -26.510 1.00 0.00 H new ATOM 810 N GLN A 55 -3.964 33.842 -22.967 1.00 0.00 N ATOM 811 CA GLN A 55 -3.726 33.327 -21.624 1.00 0.00 C ATOM 812 C GLN A 55 -2.449 33.916 -21.033 1.00 0.00 C ATOM 813 O GLN A 55 -1.485 34.178 -21.751 1.00 0.00 O ATOM 814 CB GLN A 55 -3.633 31.800 -21.649 1.00 0.00 C ATOM 815 CG GLN A 55 -4.034 31.144 -20.338 1.00 0.00 C ATOM 816 CD GLN A 55 -5.411 31.572 -19.868 1.00 0.00 C ATOM 817 OE1 GLN A 55 -5.737 31.465 -18.686 1.00 0.00 O ATOM 818 NE2 GLN A 55 -6.227 32.060 -20.795 1.00 0.00 N ATOM 0 H GLN A 55 -3.590 33.258 -23.715 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.566 33.623 -20.995 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.271 31.419 -22.446 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.611 31.511 -21.893 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.016 30.061 -20.458 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.299 31.393 -19.572 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.915 32.131 -21.763 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.166 32.364 -20.539 1.00 0.00 H new ATOM 827 N ASN A 56 -2.451 34.122 -19.720 1.00 0.00 N ATOM 828 CA ASN A 56 -1.293 34.681 -19.033 1.00 0.00 C ATOM 829 C ASN A 56 -0.349 33.576 -18.569 1.00 0.00 C ATOM 830 O ASN A 56 0.736 33.400 -19.121 1.00 0.00 O ATOM 831 CB ASN A 56 -1.741 35.521 -17.835 1.00 0.00 C ATOM 832 CG ASN A 56 -2.970 34.948 -17.155 1.00 0.00 C ATOM 833 OD1 ASN A 56 -4.082 35.045 -17.673 1.00 0.00 O ATOM 834 ND2 ASN A 56 -2.773 34.347 -15.987 1.00 0.00 N ATOM 0 H ASN A 56 -3.241 33.910 -19.111 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.758 35.319 -19.736 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.926 35.584 -17.114 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.953 36.538 -18.166 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.562 33.943 -15.482 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.833 34.290 -15.595 1.00 0.00 H new ATOM 841 N ASN A 57 -0.772 32.834 -17.550 1.00 0.00 N ATOM 842 CA ASN A 57 0.035 31.745 -17.012 1.00 0.00 C ATOM 843 C ASN A 57 -0.366 30.411 -17.634 1.00 0.00 C ATOM 844 O ASN A 57 -1.365 29.807 -17.243 1.00 0.00 O ATOM 845 CB ASN A 57 -0.114 31.676 -15.490 1.00 0.00 C ATOM 846 CG ASN A 57 1.130 31.137 -14.811 1.00 0.00 C ATOM 847 OD1 ASN A 57 2.245 31.312 -15.304 1.00 0.00 O ATOM 848 ND2 ASN A 57 0.944 30.476 -13.674 1.00 0.00 N ATOM 0 H ASN A 57 -1.668 32.967 -17.081 1.00 0.00 H new ATOM 0 HA ASN A 57 1.078 31.942 -17.260 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.333 32.671 -15.104 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.965 31.042 -15.239 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.743 30.089 -13.172 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.002 30.355 -13.303 1.00 0.00 H new ATOM 855 N HIS A 58 0.421 29.956 -18.604 1.00 0.00 N ATOM 856 CA HIS A 58 0.149 28.693 -19.280 1.00 0.00 C ATOM 857 C HIS A 58 0.854 27.537 -18.577 1.00 0.00 C ATOM 858 O HIS A 58 2.081 27.441 -18.596 1.00 0.00 O ATOM 859 CB HIS A 58 0.595 28.765 -20.741 1.00 0.00 C ATOM 860 CG HIS A 58 0.503 30.139 -21.328 1.00 0.00 C ATOM 861 ND1 HIS A 58 -0.429 30.489 -22.282 1.00 0.00 N ATOM 862 CD2 HIS A 58 1.233 31.254 -21.091 1.00 0.00 C ATOM 863 CE1 HIS A 58 -0.268 31.760 -22.607 1.00 0.00 C ATOM 864 NE2 HIS A 58 0.734 32.247 -21.898 1.00 0.00 N ATOM 0 H HIS A 58 1.252 30.443 -18.939 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.926 28.515 -19.245 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.625 28.415 -20.816 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.017 28.084 -21.333 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.055 31.346 -20.396 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.856 32.307 -23.329 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.081 33.205 -21.942 1.00 0.00 H new ATOM 872 N VAL A 59 0.070 26.662 -17.954 1.00 0.00 N ATOM 873 CA VAL A 59 0.619 25.513 -17.245 1.00 0.00 C ATOM 874 C VAL A 59 -0.215 24.262 -17.498 1.00 0.00 C ATOM 875 O VAL A 59 -1.442 24.290 -17.401 1.00 0.00 O ATOM 876 CB VAL A 59 0.690 25.772 -15.728 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.698 24.840 -15.074 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.038 27.226 -15.452 1.00 0.00 C ATOM 0 H VAL A 59 -0.948 26.728 -17.926 1.00 0.00 H new ATOM 0 HA VAL A 59 1.628 25.357 -17.627 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.290 25.569 -15.296 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.734 25.038 -14.003 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.399 23.805 -15.242 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.684 25.008 -15.508 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.084 27.391 -14.376 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.006 27.459 -15.896 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.274 27.872 -15.886 1.00 0.00 H new ATOM 888 N CYS A 60 0.460 23.164 -17.821 1.00 0.00 N ATOM 889 CA CYS A 60 -0.217 21.901 -18.088 1.00 0.00 C ATOM 890 C CYS A 60 0.099 20.875 -17.003 1.00 0.00 C ATOM 891 O CYS A 60 1.242 20.440 -16.859 1.00 0.00 O ATOM 892 CB CYS A 60 0.197 21.356 -19.457 1.00 0.00 C ATOM 893 SG CYS A 60 0.457 19.553 -19.492 1.00 0.00 S ATOM 0 H CYS A 60 1.476 23.124 -17.904 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.291 22.086 -18.088 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.570 21.616 -20.187 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.116 21.851 -19.770 1.00 0.00 H new ATOM 0 HG CYS A 60 1.166 19.197 -18.462 1.00 0.00 H new ATOM 898 N TYR A 61 -0.922 20.492 -16.244 1.00 0.00 N ATOM 899 CA TYR A 61 -0.753 19.519 -15.172 1.00 0.00 C ATOM 900 C TYR A 61 -1.467 18.212 -15.504 1.00 0.00 C ATOM 901 O TYR A 61 -2.674 18.081 -15.298 1.00 0.00 O ATOM 902 CB TYR A 61 -1.287 20.083 -13.854 1.00 0.00 C ATOM 903 CG TYR A 61 -0.957 21.544 -13.643 1.00 0.00 C ATOM 904 CD1 TYR A 61 -1.679 22.540 -14.289 1.00 0.00 C ATOM 905 CD2 TYR A 61 0.078 21.928 -12.799 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.380 23.875 -14.100 1.00 0.00 C ATOM 907 CE2 TYR A 61 0.383 23.261 -12.603 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.349 24.231 -13.256 1.00 0.00 C ATOM 909 OH TYR A 61 -0.047 25.560 -13.065 1.00 0.00 O ATOM 0 H TYR A 61 -1.875 20.840 -16.351 1.00 0.00 H new ATOM 0 HA TYR A 61 0.312 19.314 -15.067 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.369 19.956 -13.826 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.876 19.503 -13.027 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.488 22.266 -14.950 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.654 21.171 -12.287 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.951 24.636 -14.611 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.190 23.542 -11.942 1.00 0.00 H new ATOM 0 HH TYR A 61 0.616 25.645 -12.349 1.00 0.00 H new ATOM 919 N TRP A 62 -0.713 17.248 -16.019 1.00 0.00 N ATOM 920 CA TRP A 62 -1.273 15.950 -16.380 1.00 0.00 C ATOM 921 C TRP A 62 -1.185 14.976 -15.211 1.00 0.00 C ATOM 922 O TRP A 62 -0.242 15.023 -14.422 1.00 0.00 O ATOM 923 CB TRP A 62 -0.541 15.377 -17.595 1.00 0.00 C ATOM 924 CG TRP A 62 -1.428 14.575 -18.499 1.00 0.00 C ATOM 925 CD1 TRP A 62 -1.639 13.227 -18.455 1.00 0.00 C ATOM 926 CD2 TRP A 62 -2.223 15.073 -19.581 1.00 0.00 C ATOM 927 NE1 TRP A 62 -2.516 12.856 -19.446 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.890 13.970 -20.150 1.00 0.00 C ATOM 929 CE3 TRP A 62 -2.437 16.343 -20.124 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -3.753 14.101 -21.234 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -3.294 16.471 -21.201 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.944 15.356 -21.746 1.00 0.00 C ATOM 0 H TRP A 62 0.287 17.340 -16.196 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.324 16.092 -16.632 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.100 16.196 -18.164 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.280 14.748 -17.252 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.184 12.552 -17.746 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -2.837 11.905 -19.628 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.942 17.209 -19.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -4.254 13.243 -21.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.465 17.447 -21.630 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -4.609 15.489 -22.587 1.00 0.00 H new ATOM 943 N GLU A 63 -2.174 14.093 -15.107 1.00 0.00 N ATOM 944 CA GLU A 63 -2.206 13.108 -14.032 1.00 0.00 C ATOM 945 C GLU A 63 -0.804 12.591 -13.725 1.00 0.00 C ATOM 946 O GLU A 63 -0.523 12.153 -12.610 1.00 0.00 O ATOM 947 CB GLU A 63 -3.121 11.940 -14.408 1.00 0.00 C ATOM 948 CG GLU A 63 -3.099 10.801 -13.403 1.00 0.00 C ATOM 949 CD GLU A 63 -1.964 9.826 -13.651 1.00 0.00 C ATOM 950 OE1 GLU A 63 -1.436 9.806 -14.781 1.00 0.00 O ATOM 951 OE2 GLU A 63 -1.605 9.085 -12.712 1.00 0.00 O ATOM 0 H GLU A 63 -2.962 14.040 -15.753 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.598 13.595 -13.139 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.143 12.307 -14.506 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.825 11.557 -15.385 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.008 11.211 -12.397 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.048 10.266 -13.445 1.00 0.00 H new ATOM 958 N GLU A 64 0.072 12.644 -14.724 1.00 0.00 N ATOM 959 CA GLU A 64 1.445 12.180 -14.561 1.00 0.00 C ATOM 960 C GLU A 64 2.399 12.982 -15.441 1.00 0.00 C ATOM 961 O GLU A 64 3.213 12.417 -16.171 1.00 0.00 O ATOM 962 CB GLU A 64 1.548 10.692 -14.903 1.00 0.00 C ATOM 963 CG GLU A 64 1.324 9.776 -13.711 1.00 0.00 C ATOM 964 CD GLU A 64 2.546 9.669 -12.820 1.00 0.00 C ATOM 965 OE1 GLU A 64 3.222 10.698 -12.614 1.00 0.00 O ATOM 966 OE2 GLU A 64 2.826 8.556 -12.329 1.00 0.00 O ATOM 0 H GLU A 64 -0.145 13.003 -15.654 1.00 0.00 H new ATOM 0 HA GLU A 64 1.729 12.327 -13.519 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.817 10.454 -15.676 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.533 10.492 -15.324 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.483 10.147 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.050 8.783 -14.067 1.00 0.00 H new ATOM 973 N CYS A 65 2.292 14.305 -15.366 1.00 0.00 N ATOM 974 CA CYS A 65 3.143 15.187 -16.155 1.00 0.00 C ATOM 975 C CYS A 65 4.457 15.466 -15.431 1.00 0.00 C ATOM 976 O CYS A 65 4.487 15.743 -14.231 1.00 0.00 O ATOM 977 CB CYS A 65 2.419 16.503 -16.446 1.00 0.00 C ATOM 978 SG CYS A 65 3.351 17.644 -17.516 1.00 0.00 S ATOM 0 H CYS A 65 1.624 14.789 -14.766 1.00 0.00 H new ATOM 0 HA CYS A 65 3.367 14.687 -17.097 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.461 16.282 -16.916 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.203 17.003 -15.502 1.00 0.00 H new ATOM 0 HG CYS A 65 2.828 17.648 -18.706 1.00 0.00 H new ATOM 983 N PRO A 66 5.570 15.394 -16.176 1.00 0.00 N ATOM 984 CA PRO A 66 6.907 15.636 -15.626 1.00 0.00 C ATOM 985 C PRO A 66 7.128 17.100 -15.263 1.00 0.00 C ATOM 986 O PRO A 66 8.052 17.433 -14.521 1.00 0.00 O ATOM 987 CB PRO A 66 7.840 15.221 -16.767 1.00 0.00 C ATOM 988 CG PRO A 66 7.025 15.390 -18.003 1.00 0.00 C ATOM 989 CD PRO A 66 5.609 15.070 -17.612 1.00 0.00 C ATOM 0 HA PRO A 66 7.073 15.086 -14.700 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.734 15.844 -16.794 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.174 14.190 -16.651 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.104 16.407 -18.386 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.372 14.724 -18.793 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.892 15.665 -18.178 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.369 14.023 -17.794 1.00 0.00 H new ATOM 997 N ARG A 67 6.275 17.971 -15.791 1.00 0.00 N ATOM 998 CA ARG A 67 6.378 19.401 -15.523 1.00 0.00 C ATOM 999 C ARG A 67 6.065 19.703 -14.060 1.00 0.00 C ATOM 1000 O ARG A 67 6.617 20.636 -13.478 1.00 0.00 O ATOM 1001 CB ARG A 67 5.426 20.182 -16.431 1.00 0.00 C ATOM 1002 CG ARG A 67 5.499 19.765 -17.891 1.00 0.00 C ATOM 1003 CD ARG A 67 6.546 20.568 -18.648 1.00 0.00 C ATOM 1004 NE ARG A 67 7.898 20.072 -18.404 1.00 0.00 N ATOM 1005 CZ ARG A 67 8.996 20.720 -18.775 1.00 0.00 C ATOM 1006 NH1 ARG A 67 8.903 21.884 -19.403 1.00 0.00 N ATOM 1007 NH2 ARG A 67 10.191 20.204 -18.518 1.00 0.00 N ATOM 0 H ARG A 67 5.504 17.712 -16.407 1.00 0.00 H new ATOM 0 HA ARG A 67 7.402 19.711 -15.730 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.405 20.048 -16.074 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.654 21.245 -16.354 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.736 18.703 -17.956 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.524 19.903 -18.359 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.332 20.527 -19.716 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.485 21.615 -18.351 1.00 0.00 H new ATOM 0 HE ARG A 67 8.004 19.179 -17.922 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.986 22.284 -19.602 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.748 22.379 -19.687 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.267 19.309 -18.035 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.034 20.703 -18.803 1.00 0.00 H new ATOM 1021 N GLU A 68 5.175 18.908 -13.474 1.00 0.00 N ATOM 1022 CA GLU A 68 4.788 19.093 -12.080 1.00 0.00 C ATOM 1023 C GLU A 68 4.315 20.522 -11.831 1.00 0.00 C ATOM 1024 O GLU A 68 4.223 20.967 -10.688 1.00 0.00 O ATOM 1025 CB GLU A 68 5.961 18.763 -11.154 1.00 0.00 C ATOM 1026 CG GLU A 68 6.643 17.446 -11.483 1.00 0.00 C ATOM 1027 CD GLU A 68 7.675 17.049 -10.444 1.00 0.00 C ATOM 1028 OE1 GLU A 68 7.275 16.678 -9.321 1.00 0.00 O ATOM 1029 OE2 GLU A 68 8.883 17.109 -10.756 1.00 0.00 O ATOM 0 H GLU A 68 4.709 18.131 -13.942 1.00 0.00 H new ATOM 0 HA GLU A 68 3.963 18.414 -11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.695 19.567 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.603 18.730 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.891 16.661 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.125 17.524 -12.458 1.00 0.00 H new ATOM 1036 N GLY A 69 4.018 21.238 -12.912 1.00 0.00 N ATOM 1037 CA GLY A 69 3.560 22.609 -12.791 1.00 0.00 C ATOM 1038 C GLY A 69 4.479 23.592 -13.489 1.00 0.00 C ATOM 1039 O GLY A 69 4.056 24.680 -13.879 1.00 0.00 O ATOM 0 H GLY A 69 4.087 20.892 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.558 22.692 -13.211 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.486 22.872 -11.736 1.00 0.00 H new ATOM 1043 N LYS A 70 5.742 23.209 -13.646 1.00 0.00 N ATOM 1044 CA LYS A 70 6.725 24.064 -14.301 1.00 0.00 C ATOM 1045 C LYS A 70 6.200 24.568 -15.642 1.00 0.00 C ATOM 1046 O LYS A 70 6.147 23.820 -16.619 1.00 0.00 O ATOM 1047 CB LYS A 70 8.036 23.302 -14.508 1.00 0.00 C ATOM 1048 CG LYS A 70 9.030 23.483 -13.374 1.00 0.00 C ATOM 1049 CD LYS A 70 8.483 22.947 -12.062 1.00 0.00 C ATOM 1050 CE LYS A 70 7.764 24.032 -11.274 1.00 0.00 C ATOM 1051 NZ LYS A 70 8.571 25.280 -11.184 1.00 0.00 N ATOM 0 H LYS A 70 6.109 22.312 -13.328 1.00 0.00 H new ATOM 0 HA LYS A 70 6.909 24.924 -13.657 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.816 22.240 -14.621 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.496 23.633 -15.439 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.960 22.969 -13.619 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.270 24.541 -13.264 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.796 22.125 -12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.300 22.542 -11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.807 24.252 -11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.546 23.668 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.412 25.730 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.580 25.049 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.285 25.933 -11.941 1.00 0.00 H new ATOM 1065 N SER A 71 5.815 25.839 -15.682 1.00 0.00 N ATOM 1066 CA SER A 71 5.292 26.442 -16.902 1.00 0.00 C ATOM 1067 C SER A 71 6.401 26.627 -17.934 1.00 0.00 C ATOM 1068 O SER A 71 7.548 26.243 -17.706 1.00 0.00 O ATOM 1069 CB SER A 71 4.639 27.790 -16.591 1.00 0.00 C ATOM 1070 OG SER A 71 4.146 27.823 -15.263 1.00 0.00 O ATOM 0 H SER A 71 5.855 26.472 -14.883 1.00 0.00 H new ATOM 0 HA SER A 71 4.541 25.770 -17.317 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.365 28.591 -16.733 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.823 27.972 -17.290 1.00 0.00 H new ATOM 0 HG SER A 71 3.735 28.695 -15.088 1.00 0.00 H new ATOM 1076 N PHE A 72 6.049 27.219 -19.071 1.00 0.00 N ATOM 1077 CA PHE A 72 7.013 27.456 -20.139 1.00 0.00 C ATOM 1078 C PHE A 72 7.249 28.950 -20.338 1.00 0.00 C ATOM 1079 O PHE A 72 6.632 29.782 -19.672 1.00 0.00 O ATOM 1080 CB PHE A 72 6.523 26.827 -21.446 1.00 0.00 C ATOM 1081 CG PHE A 72 6.877 25.374 -21.582 1.00 0.00 C ATOM 1082 CD1 PHE A 72 6.077 24.396 -21.012 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.009 24.986 -22.279 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.400 23.058 -21.135 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.337 23.649 -22.406 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.532 22.684 -21.833 1.00 0.00 C ATOM 0 H PHE A 72 5.104 27.543 -19.276 1.00 0.00 H new ATOM 0 HA PHE A 72 7.957 26.992 -19.852 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.440 26.936 -21.509 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.948 27.376 -22.286 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.191 24.683 -20.465 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.643 25.736 -22.728 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.768 22.306 -20.686 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.222 23.359 -22.953 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.787 21.639 -21.930 1.00 0.00 H new ATOM 1096 N LYS A 73 8.148 29.284 -21.258 1.00 0.00 N ATOM 1097 CA LYS A 73 8.467 30.677 -21.547 1.00 0.00 C ATOM 1098 C LYS A 73 7.754 31.148 -22.811 1.00 0.00 C ATOM 1099 O LYS A 73 7.735 32.340 -23.116 1.00 0.00 O ATOM 1100 CB LYS A 73 9.979 30.853 -21.705 1.00 0.00 C ATOM 1101 CG LYS A 73 10.753 30.649 -20.415 1.00 0.00 C ATOM 1102 CD LYS A 73 10.689 31.879 -19.525 1.00 0.00 C ATOM 1103 CE LYS A 73 11.765 32.889 -19.892 1.00 0.00 C ATOM 1104 NZ LYS A 73 13.133 32.356 -19.645 1.00 0.00 N ATOM 0 H LYS A 73 8.669 28.608 -21.817 1.00 0.00 H new ATOM 0 HA LYS A 73 8.122 31.284 -20.710 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.342 30.147 -22.452 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.182 31.854 -22.086 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.349 29.790 -19.879 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.793 30.420 -20.646 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.707 32.343 -19.614 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.807 31.582 -18.483 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.665 33.160 -20.943 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.620 33.801 -19.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.797 33.147 -19.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.129 31.774 -18.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.430 31.774 -20.454 1.00 0.00 H new ATOM 1118 N ALA A 74 7.168 30.204 -23.541 1.00 0.00 N ATOM 1119 CA ALA A 74 6.452 30.524 -24.769 1.00 0.00 C ATOM 1120 C ALA A 74 5.295 29.557 -24.997 1.00 0.00 C ATOM 1121 O ALA A 74 5.323 28.417 -24.532 1.00 0.00 O ATOM 1122 CB ALA A 74 7.403 30.500 -25.956 1.00 0.00 C ATOM 0 H ALA A 74 7.175 29.212 -23.303 1.00 0.00 H new ATOM 0 HA ALA A 74 6.039 31.528 -24.669 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.854 30.741 -26.867 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.194 31.235 -25.804 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.843 29.507 -26.049 1.00 0.00 H new ATOM 1128 N LYS A 75 4.276 30.019 -25.714 1.00 0.00 N ATOM 1129 CA LYS A 75 3.109 29.195 -26.005 1.00 0.00 C ATOM 1130 C LYS A 75 3.492 27.988 -26.854 1.00 0.00 C ATOM 1131 O LYS A 75 3.210 26.846 -26.489 1.00 0.00 O ATOM 1132 CB LYS A 75 2.043 30.022 -26.728 1.00 0.00 C ATOM 1133 CG LYS A 75 0.892 29.192 -27.269 1.00 0.00 C ATOM 1134 CD LYS A 75 -0.059 28.769 -26.161 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.963 29.915 -25.734 1.00 0.00 C ATOM 1136 NZ LYS A 75 -2.068 29.451 -24.851 1.00 0.00 N ATOM 0 H LYS A 75 4.235 30.960 -26.104 1.00 0.00 H new ATOM 0 HA LYS A 75 2.704 28.837 -25.059 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.648 30.771 -26.041 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.510 30.561 -27.552 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.347 29.768 -28.017 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.284 28.307 -27.771 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.668 27.932 -26.503 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.514 28.417 -25.303 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.373 30.668 -25.212 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.382 30.396 -26.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.681 30.256 -24.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.627 28.727 -25.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.670 29.046 -23.980 1.00 0.00 H new ATOM 1150 N TYR A 76 4.137 28.247 -27.986 1.00 0.00 N ATOM 1151 CA TYR A 76 4.559 27.180 -28.887 1.00 0.00 C ATOM 1152 C TYR A 76 5.434 26.165 -28.158 1.00 0.00 C ATOM 1153 O TYR A 76 5.388 24.969 -28.444 1.00 0.00 O ATOM 1154 CB TYR A 76 5.319 27.763 -30.079 1.00 0.00 C ATOM 1155 CG TYR A 76 6.395 28.750 -29.688 1.00 0.00 C ATOM 1156 CD1 TYR A 76 7.548 28.329 -29.037 1.00 0.00 C ATOM 1157 CD2 TYR A 76 6.259 30.104 -29.970 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.534 29.228 -28.677 1.00 0.00 C ATOM 1159 CE2 TYR A 76 7.240 31.010 -29.615 1.00 0.00 C ATOM 1160 CZ TYR A 76 8.375 30.567 -28.968 1.00 0.00 C ATOM 1161 OH TYR A 76 9.355 31.465 -28.613 1.00 0.00 O ATOM 0 H TYR A 76 4.379 29.186 -28.302 1.00 0.00 H new ATOM 0 HA TYR A 76 3.666 26.669 -29.248 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.773 26.948 -30.643 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.611 28.256 -30.745 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.676 27.281 -28.808 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.371 30.454 -30.475 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.424 28.884 -28.171 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.119 32.059 -29.843 1.00 0.00 H new ATOM 0 HH TYR A 76 9.089 32.366 -28.891 1.00 0.00 H new ATOM 1171 N LYS A 77 6.231 26.652 -27.213 1.00 0.00 N ATOM 1172 CA LYS A 77 7.117 25.790 -26.440 1.00 0.00 C ATOM 1173 C LYS A 77 6.317 24.880 -25.513 1.00 0.00 C ATOM 1174 O LYS A 77 6.709 23.741 -25.256 1.00 0.00 O ATOM 1175 CB LYS A 77 8.098 26.634 -25.622 1.00 0.00 C ATOM 1176 CG LYS A 77 9.534 26.146 -25.703 1.00 0.00 C ATOM 1177 CD LYS A 77 10.368 27.021 -26.624 1.00 0.00 C ATOM 1178 CE LYS A 77 10.503 28.435 -26.079 1.00 0.00 C ATOM 1179 NZ LYS A 77 11.549 29.210 -26.801 1.00 0.00 N ATOM 0 H LYS A 77 6.281 27.640 -26.964 1.00 0.00 H new ATOM 0 HA LYS A 77 7.677 25.167 -27.138 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.054 27.666 -25.969 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.782 26.635 -24.579 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.975 26.141 -24.706 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.550 25.117 -26.063 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.358 26.581 -26.747 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.908 27.053 -27.612 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.546 28.950 -26.164 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.749 28.393 -25.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.541 30.196 -26.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.482 28.790 -26.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.356 29.186 -27.823 1.00 0.00 H new ATOM 1193 N LEU A 78 5.196 25.389 -25.015 1.00 0.00 N ATOM 1194 CA LEU A 78 4.340 24.621 -24.117 1.00 0.00 C ATOM 1195 C LEU A 78 3.516 23.598 -24.893 1.00 0.00 C ATOM 1196 O LEU A 78 3.388 22.445 -24.479 1.00 0.00 O ATOM 1197 CB LEU A 78 3.411 25.557 -23.341 1.00 0.00 C ATOM 1198 CG LEU A 78 2.100 24.944 -22.848 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.334 23.536 -22.321 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.473 25.820 -21.773 1.00 0.00 C ATOM 0 H LEU A 78 4.858 26.330 -25.217 1.00 0.00 H new ATOM 0 HA LEU A 78 4.979 24.088 -23.413 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.955 25.944 -22.479 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.174 26.410 -23.977 1.00 0.00 H new ATOM 0 HG LEU A 78 1.410 24.885 -23.689 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.390 23.116 -21.974 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.738 22.912 -23.118 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.042 23.570 -21.493 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.541 25.368 -21.434 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.160 25.911 -20.931 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.269 26.809 -22.183 1.00 0.00 H new ATOM 1212 N VAL A 79 2.962 24.026 -26.023 1.00 0.00 N ATOM 1213 CA VAL A 79 2.154 23.146 -26.859 1.00 0.00 C ATOM 1214 C VAL A 79 2.936 21.901 -27.264 1.00 0.00 C ATOM 1215 O VAL A 79 2.466 20.778 -27.091 1.00 0.00 O ATOM 1216 CB VAL A 79 1.668 23.869 -28.129 1.00 0.00 C ATOM 1217 CG1 VAL A 79 1.020 22.884 -29.090 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.703 24.989 -27.768 1.00 0.00 C ATOM 0 H VAL A 79 3.058 24.976 -26.380 1.00 0.00 H new ATOM 0 HA VAL A 79 1.290 22.851 -26.264 1.00 0.00 H new ATOM 0 HB VAL A 79 2.531 24.311 -28.627 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.683 23.413 -29.981 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.745 22.121 -29.373 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.167 22.410 -28.605 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.370 25.489 -28.677 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.159 24.573 -27.246 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.206 25.708 -27.122 1.00 0.00 H new ATOM 1228 N ASN A 80 4.132 22.110 -27.803 1.00 0.00 N ATOM 1229 CA ASN A 80 4.981 21.005 -28.232 1.00 0.00 C ATOM 1230 C ASN A 80 5.141 19.977 -27.117 1.00 0.00 C ATOM 1231 O ASN A 80 5.246 18.777 -27.373 1.00 0.00 O ATOM 1232 CB ASN A 80 6.354 21.525 -28.663 1.00 0.00 C ATOM 1233 CG ASN A 80 6.368 21.995 -30.104 1.00 0.00 C ATOM 1234 OD1 ASN A 80 5.810 21.343 -30.987 1.00 0.00 O ATOM 1235 ND2 ASN A 80 7.008 23.132 -30.349 1.00 0.00 N ATOM 0 H ASN A 80 4.535 23.035 -27.953 1.00 0.00 H new ATOM 0 HA ASN A 80 4.501 20.521 -29.082 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.648 22.348 -28.012 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.095 20.736 -28.534 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.051 23.498 -31.300 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.456 23.639 -29.586 1.00 0.00 H new ATOM 1242 N HIS A 81 5.159 20.455 -25.876 1.00 0.00 N ATOM 1243 CA HIS A 81 5.305 19.578 -24.721 1.00 0.00 C ATOM 1244 C HIS A 81 4.064 18.710 -24.536 1.00 0.00 C ATOM 1245 O HIS A 81 4.165 17.530 -24.200 1.00 0.00 O ATOM 1246 CB HIS A 81 5.558 20.401 -23.457 1.00 0.00 C ATOM 1247 CG HIS A 81 5.020 19.767 -22.211 1.00 0.00 C ATOM 1248 ND1 HIS A 81 5.631 18.701 -21.586 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.923 20.056 -21.474 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.932 18.361 -20.518 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.890 19.168 -20.427 1.00 0.00 N ATOM 0 H HIS A 81 5.074 21.445 -25.646 1.00 0.00 H new ATOM 0 HA HIS A 81 6.160 18.926 -24.898 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.631 20.555 -23.342 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.106 21.386 -23.578 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.489 18.246 -21.899 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.206 20.839 -21.672 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.172 17.559 -19.835 1.00 0.00 H new ATOM 1259 N ILE A 82 2.896 19.302 -24.759 1.00 0.00 N ATOM 1260 CA ILE A 82 1.636 18.583 -24.618 1.00 0.00 C ATOM 1261 C ILE A 82 1.522 17.467 -25.650 1.00 0.00 C ATOM 1262 O ILE A 82 0.691 16.567 -25.518 1.00 0.00 O ATOM 1263 CB ILE A 82 0.429 19.528 -24.764 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.640 20.794 -23.931 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -0.852 18.820 -24.346 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -0.561 21.713 -23.914 1.00 0.00 C ATOM 0 H ILE A 82 2.796 20.278 -25.038 1.00 0.00 H new ATOM 0 HA ILE A 82 1.629 18.151 -23.617 1.00 0.00 H new ATOM 0 HB ILE A 82 0.337 19.816 -25.811 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.884 20.509 -22.908 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.499 21.339 -24.324 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.696 19.501 -24.455 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.007 17.946 -24.978 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.771 18.506 -23.305 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.340 22.589 -23.305 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.793 22.028 -24.932 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.417 21.185 -23.493 1.00 0.00 H new ATOM 1278 N ARG A 83 2.362 17.530 -26.678 1.00 0.00 N ATOM 1279 CA ARG A 83 2.356 16.524 -27.733 1.00 0.00 C ATOM 1280 C ARG A 83 2.826 15.174 -27.200 1.00 0.00 C ATOM 1281 O ARG A 83 2.543 14.130 -27.788 1.00 0.00 O ATOM 1282 CB ARG A 83 3.251 16.966 -28.893 1.00 0.00 C ATOM 1283 CG ARG A 83 3.008 18.398 -29.338 1.00 0.00 C ATOM 1284 CD ARG A 83 1.701 18.530 -30.103 1.00 0.00 C ATOM 1285 NE ARG A 83 1.738 19.629 -31.065 1.00 0.00 N ATOM 1286 CZ ARG A 83 0.769 19.871 -31.942 1.00 0.00 C ATOM 1287 NH1 ARG A 83 -0.306 19.096 -31.977 1.00 0.00 N ATOM 1288 NH2 ARG A 83 0.876 20.890 -32.784 1.00 0.00 N ATOM 0 H ARG A 83 3.056 18.267 -26.803 1.00 0.00 H new ATOM 0 HA ARG A 83 1.333 16.417 -28.092 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.295 16.859 -28.597 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.090 16.299 -29.740 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.988 19.052 -28.467 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.834 18.730 -29.967 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.492 17.597 -30.626 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.884 18.691 -29.400 1.00 0.00 H new ATOM 0 HE ARG A 83 2.552 20.244 -31.064 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.391 18.312 -31.330 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.048 19.284 -32.651 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.702 21.488 -32.759 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.132 21.076 -33.457 1.00 0.00 H new ATOM 1302 N VAL A 84 3.545 15.202 -26.082 1.00 0.00 N ATOM 1303 CA VAL A 84 4.053 13.981 -25.469 1.00 0.00 C ATOM 1304 C VAL A 84 2.974 13.290 -24.643 1.00 0.00 C ATOM 1305 O VAL A 84 3.052 12.090 -24.379 1.00 0.00 O ATOM 1306 CB VAL A 84 5.268 14.270 -24.567 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.283 15.135 -25.298 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.824 14.934 -23.272 1.00 0.00 C ATOM 0 H VAL A 84 3.789 16.057 -25.583 1.00 0.00 H new ATOM 0 HA VAL A 84 4.361 13.323 -26.282 1.00 0.00 H new ATOM 0 HB VAL A 84 5.747 13.323 -24.318 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.134 15.328 -24.645 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.624 14.617 -26.194 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.820 16.081 -25.580 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.695 15.131 -22.647 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.320 15.874 -23.499 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.138 14.274 -22.741 1.00 0.00 H new ATOM 1318 N HIS A 85 1.965 14.055 -24.238 1.00 0.00 N ATOM 1319 CA HIS A 85 0.868 13.516 -23.443 1.00 0.00 C ATOM 1320 C HIS A 85 -0.111 12.742 -24.321 1.00 0.00 C ATOM 1321 O HIS A 85 -1.063 12.139 -23.826 1.00 0.00 O ATOM 1322 CB HIS A 85 0.135 14.644 -22.715 1.00 0.00 C ATOM 1323 CG HIS A 85 0.986 15.361 -21.712 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.800 14.707 -20.811 1.00 0.00 N ATOM 1325 CD2 HIS A 85 1.147 16.683 -21.472 1.00 0.00 C ATOM 1326 CE1 HIS A 85 2.423 15.596 -20.059 1.00 0.00 C ATOM 1327 NE2 HIS A 85 2.045 16.803 -20.440 1.00 0.00 N ATOM 0 H HIS A 85 1.885 15.050 -24.447 1.00 0.00 H new ATOM 0 HA HIS A 85 1.289 12.831 -22.707 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.230 15.362 -23.449 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -0.739 14.232 -22.210 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.904 13.695 -20.737 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.660 17.493 -21.995 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.123 15.374 -19.267 1.00 0.00 H new ATOM 1335 N THR A 86 0.130 12.764 -25.629 1.00 0.00 N ATOM 1336 CA THR A 86 -0.730 12.066 -26.576 1.00 0.00 C ATOM 1337 C THR A 86 0.036 10.971 -27.310 1.00 0.00 C ATOM 1338 O THR A 86 -0.261 9.786 -27.162 1.00 0.00 O ATOM 1339 CB THR A 86 -1.332 13.037 -27.609 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.316 13.479 -28.516 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.961 14.239 -26.919 1.00 0.00 C ATOM 0 H THR A 86 0.914 13.258 -26.056 1.00 0.00 H new ATOM 0 HA THR A 86 -1.537 11.616 -25.998 1.00 0.00 H new ATOM 0 HB THR A 86 -2.108 12.509 -28.163 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.525 13.606 -28.029 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.380 14.911 -27.668 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.754 13.902 -26.251 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.201 14.767 -26.343 1.00 0.00 H new ATOM 1407 N PHE A 91 7.925 16.876 -36.003 1.00 0.00 N ATOM 1408 CA PHE A 91 8.319 16.893 -37.407 1.00 0.00 C ATOM 1409 C PHE A 91 9.094 15.630 -37.771 1.00 0.00 C ATOM 1410 O PHE A 91 10.127 15.314 -37.181 1.00 0.00 O ATOM 1411 CB PHE A 91 9.169 18.130 -37.706 1.00 0.00 C ATOM 1412 CG PHE A 91 10.487 18.139 -36.986 1.00 0.00 C ATOM 1413 CD1 PHE A 91 10.536 18.100 -35.602 1.00 0.00 C ATOM 1414 CD2 PHE A 91 11.677 18.187 -37.693 1.00 0.00 C ATOM 1415 CE1 PHE A 91 11.747 18.108 -34.936 1.00 0.00 C ATOM 1416 CE2 PHE A 91 12.891 18.195 -37.033 1.00 0.00 C ATOM 1417 CZ PHE A 91 12.926 18.157 -35.653 1.00 0.00 C ATOM 0 HA PHE A 91 7.413 16.929 -38.011 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.350 18.186 -38.779 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.607 19.022 -37.430 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.617 18.063 -35.037 1.00 0.00 H new ATOM 0 HD2 PHE A 91 11.656 18.219 -38.772 1.00 0.00 H new ATOM 0 HE1 PHE A 91 11.771 18.076 -33.857 1.00 0.00 H new ATOM 0 HE2 PHE A 91 13.812 18.231 -37.596 1.00 0.00 H new ATOM 0 HZ PHE A 91 13.874 18.166 -35.135 1.00 0.00 H new ATOM 1427 N PRO A 92 8.583 14.889 -38.765 1.00 0.00 N ATOM 1428 CA PRO A 92 9.210 13.648 -39.230 1.00 0.00 C ATOM 1429 C PRO A 92 10.524 13.901 -39.961 1.00 0.00 C ATOM 1430 O PRO A 92 11.085 14.995 -39.891 1.00 0.00 O ATOM 1431 CB PRO A 92 8.170 13.061 -40.187 1.00 0.00 C ATOM 1432 CG PRO A 92 7.387 14.236 -40.662 1.00 0.00 C ATOM 1433 CD PRO A 92 7.354 15.205 -39.513 1.00 0.00 C ATOM 0 HA PRO A 92 9.468 12.987 -38.402 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.646 12.540 -41.018 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.531 12.337 -39.681 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.853 14.686 -41.539 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.379 13.941 -40.953 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.349 16.239 -39.859 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.464 15.070 -38.899 1.00 0.00 H new ATOM 1441 N CYS A 93 11.010 12.884 -40.664 1.00 0.00 N ATOM 1442 CA CYS A 93 12.258 12.996 -41.410 1.00 0.00 C ATOM 1443 C CYS A 93 12.001 13.489 -42.831 1.00 0.00 C ATOM 1444 O CYS A 93 11.136 12.981 -43.544 1.00 0.00 O ATOM 1445 CB CYS A 93 12.976 11.645 -41.449 1.00 0.00 C ATOM 1446 SG CYS A 93 14.611 11.695 -42.250 1.00 0.00 S ATOM 0 H CYS A 93 10.558 11.972 -40.733 1.00 0.00 H new ATOM 0 HA CYS A 93 12.892 13.723 -40.902 1.00 0.00 H new ATOM 0 HB2 CYS A 93 13.094 11.279 -40.429 1.00 0.00 H new ATOM 0 HB3 CYS A 93 12.347 10.927 -41.975 1.00 0.00 H new ATOM 0 HG CYS A 93 15.433 10.920 -41.607 1.00 0.00 H new ATOM 1451 N PRO A 94 12.770 14.503 -43.253 1.00 0.00 N ATOM 1452 CA PRO A 94 12.645 15.087 -44.592 1.00 0.00 C ATOM 1453 C PRO A 94 13.125 14.139 -45.685 1.00 0.00 C ATOM 1454 O PRO A 94 12.845 14.345 -46.866 1.00 0.00 O ATOM 1455 CB PRO A 94 13.544 16.325 -44.524 1.00 0.00 C ATOM 1456 CG PRO A 94 14.542 16.011 -43.464 1.00 0.00 C ATOM 1457 CD PRO A 94 13.821 15.158 -42.456 1.00 0.00 C ATOM 0 HA PRO A 94 11.608 15.309 -44.845 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.030 16.515 -45.481 1.00 0.00 H new ATOM 0 HB3 PRO A 94 12.970 17.218 -44.275 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.400 15.483 -43.880 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.922 16.923 -43.003 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.488 14.430 -41.995 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.399 15.758 -41.650 1.00 0.00 H new ATOM 1465 N PHE A 95 13.850 13.100 -45.284 1.00 0.00 N ATOM 1466 CA PHE A 95 14.369 12.119 -46.230 1.00 0.00 C ATOM 1467 C PHE A 95 13.238 11.292 -46.834 1.00 0.00 C ATOM 1468 O PHE A 95 12.355 10.796 -46.133 1.00 0.00 O ATOM 1469 CB PHE A 95 15.377 11.198 -45.540 1.00 0.00 C ATOM 1470 CG PHE A 95 16.386 10.603 -46.480 1.00 0.00 C ATOM 1471 CD1 PHE A 95 16.005 9.656 -47.418 1.00 0.00 C ATOM 1472 CD2 PHE A 95 17.716 10.990 -46.427 1.00 0.00 C ATOM 1473 CE1 PHE A 95 16.932 9.106 -48.283 1.00 0.00 C ATOM 1474 CE2 PHE A 95 18.647 10.444 -47.291 1.00 0.00 C ATOM 1475 CZ PHE A 95 18.254 9.502 -48.221 1.00 0.00 C ATOM 0 H PHE A 95 14.091 12.916 -44.310 1.00 0.00 H new ATOM 0 HA PHE A 95 14.870 12.658 -47.034 1.00 0.00 H new ATOM 0 HB2 PHE A 95 15.900 11.760 -44.766 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.839 10.393 -45.040 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.972 9.345 -47.473 1.00 0.00 H new ATOM 0 HD2 PHE A 95 18.029 11.727 -45.702 1.00 0.00 H new ATOM 0 HE1 PHE A 95 16.623 8.367 -49.007 1.00 0.00 H new ATOM 0 HE2 PHE A 95 19.680 10.754 -47.239 1.00 0.00 H new ATOM 0 HZ PHE A 95 18.979 9.076 -48.899 1.00 0.00 H new ATOM 1485 N PRO A 96 13.262 11.141 -48.166 1.00 0.00 N ATOM 1486 CA PRO A 96 12.246 10.375 -48.894 1.00 0.00 C ATOM 1487 C PRO A 96 12.344 8.878 -48.624 1.00 0.00 C ATOM 1488 O PRO A 96 11.366 8.242 -48.232 1.00 0.00 O ATOM 1489 CB PRO A 96 12.560 10.675 -50.362 1.00 0.00 C ATOM 1490 CG PRO A 96 14.009 11.023 -50.376 1.00 0.00 C ATOM 1491 CD PRO A 96 14.283 11.704 -49.064 1.00 0.00 C ATOM 0 HA PRO A 96 11.235 10.652 -48.594 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.354 9.812 -50.995 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.952 11.498 -50.737 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.624 10.130 -50.488 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.245 11.680 -51.213 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.291 11.496 -48.706 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.192 12.787 -49.147 1.00 0.00 H new ATOM 1499 N GLY A 97 13.532 8.319 -48.835 1.00 0.00 N ATOM 1500 CA GLY A 97 13.736 6.900 -48.608 1.00 0.00 C ATOM 1501 C GLY A 97 14.041 6.583 -47.158 1.00 0.00 C ATOM 1502 O GLY A 97 14.900 5.751 -46.864 1.00 0.00 O ATOM 0 H GLY A 97 14.357 8.824 -49.159 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.844 6.354 -48.916 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.557 6.549 -49.234 1.00 0.00 H new ATOM 1506 N CYS A 98 13.338 7.248 -46.247 1.00 0.00 N ATOM 1507 CA CYS A 98 13.539 7.034 -44.819 1.00 0.00 C ATOM 1508 C CYS A 98 12.202 6.930 -44.091 1.00 0.00 C ATOM 1509 O CYS A 98 11.932 5.946 -43.404 1.00 0.00 O ATOM 1510 CB CYS A 98 14.369 8.174 -44.224 1.00 0.00 C ATOM 1511 SG CYS A 98 15.116 7.784 -42.609 1.00 0.00 S ATOM 0 H CYS A 98 12.624 7.940 -46.473 1.00 0.00 H new ATOM 0 HA CYS A 98 14.077 6.095 -44.689 1.00 0.00 H new ATOM 0 HB2 CYS A 98 15.161 8.437 -44.925 1.00 0.00 H new ATOM 0 HB3 CYS A 98 13.734 9.054 -44.116 1.00 0.00 H new ATOM 0 HG CYS A 98 15.661 8.855 -42.113 1.00 0.00 H new ATOM 1516 N GLY A 99 11.367 7.953 -44.248 1.00 0.00 N ATOM 1517 CA GLY A 99 10.069 7.957 -43.600 1.00 0.00 C ATOM 1518 C GLY A 99 10.172 7.838 -42.093 1.00 0.00 C ATOM 1519 O GLY A 99 9.205 7.474 -41.423 1.00 0.00 O ATOM 0 H GLY A 99 11.567 8.779 -44.812 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.543 8.877 -43.853 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.471 7.132 -43.986 1.00 0.00 H new ATOM 1523 N LYS A 100 11.349 8.143 -41.556 1.00 0.00 N ATOM 1524 CA LYS A 100 11.577 8.068 -40.118 1.00 0.00 C ATOM 1525 C LYS A 100 11.093 9.337 -39.423 1.00 0.00 C ATOM 1526 O LYS A 100 11.093 10.417 -40.014 1.00 0.00 O ATOM 1527 CB LYS A 100 13.063 7.850 -39.827 1.00 0.00 C ATOM 1528 CG LYS A 100 13.442 8.097 -38.377 1.00 0.00 C ATOM 1529 CD LYS A 100 13.021 6.940 -37.486 1.00 0.00 C ATOM 1530 CE LYS A 100 14.006 6.727 -36.347 1.00 0.00 C ATOM 1531 NZ LYS A 100 15.111 5.807 -36.735 1.00 0.00 N ATOM 0 H LYS A 100 12.160 8.445 -42.096 1.00 0.00 H new ATOM 0 HA LYS A 100 11.009 7.223 -39.729 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.331 6.828 -40.095 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.650 8.511 -40.465 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.520 8.242 -38.301 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.971 9.016 -38.028 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.029 7.135 -37.079 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.948 6.029 -38.081 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.423 7.687 -36.043 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.480 6.320 -35.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.761 5.687 -35.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.716 4.883 -37.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.629 6.208 -37.543 1.00 0.00 H new ATOM 1545 N ILE A 101 10.684 9.199 -38.167 1.00 0.00 N ATOM 1546 CA ILE A 101 10.201 10.335 -37.392 1.00 0.00 C ATOM 1547 C ILE A 101 10.897 10.412 -36.037 1.00 0.00 C ATOM 1548 O ILE A 101 11.251 9.390 -35.450 1.00 0.00 O ATOM 1549 CB ILE A 101 8.678 10.259 -37.171 1.00 0.00 C ATOM 1550 CG1 ILE A 101 7.986 9.714 -38.421 1.00 0.00 C ATOM 1551 CG2 ILE A 101 8.127 11.630 -36.809 1.00 0.00 C ATOM 1552 CD1 ILE A 101 6.524 9.388 -38.209 1.00 0.00 C ATOM 0 H ILE A 101 10.677 8.312 -37.664 1.00 0.00 H new ATOM 0 HA ILE A 101 10.432 11.231 -37.968 1.00 0.00 H new ATOM 0 HB ILE A 101 8.479 9.579 -36.343 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.074 10.446 -39.224 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.506 8.815 -38.752 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.050 11.560 -36.656 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.602 11.983 -35.893 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.334 12.331 -37.618 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.098 9.007 -39.137 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.429 8.633 -37.429 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.990 10.289 -37.908 1.00 0.00 H new ATOM 1564 N PHE A 102 11.088 11.632 -35.545 1.00 0.00 N ATOM 1565 CA PHE A 102 11.741 11.844 -34.259 1.00 0.00 C ATOM 1566 C PHE A 102 10.941 12.816 -33.396 1.00 0.00 C ATOM 1567 O PHE A 102 10.483 13.853 -33.874 1.00 0.00 O ATOM 1568 CB PHE A 102 13.160 12.376 -34.465 1.00 0.00 C ATOM 1569 CG PHE A 102 13.986 11.536 -35.397 1.00 0.00 C ATOM 1570 CD1 PHE A 102 13.714 11.514 -36.756 1.00 0.00 C ATOM 1571 CD2 PHE A 102 15.034 10.769 -34.915 1.00 0.00 C ATOM 1572 CE1 PHE A 102 14.472 10.743 -37.617 1.00 0.00 C ATOM 1573 CE2 PHE A 102 15.796 9.996 -35.772 1.00 0.00 C ATOM 1574 CZ PHE A 102 15.513 9.982 -37.124 1.00 0.00 C ATOM 0 H PHE A 102 10.800 12.489 -36.018 1.00 0.00 H new ATOM 0 HA PHE A 102 11.792 10.885 -33.743 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.105 13.392 -34.856 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.662 12.433 -33.499 1.00 0.00 H new ATOM 0 HD1 PHE A 102 12.900 12.106 -37.147 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.258 10.775 -33.859 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.250 10.736 -38.674 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.612 9.404 -35.384 1.00 0.00 H new ATOM 0 HZ PHE A 102 16.105 9.377 -37.794 1.00 0.00 H new ATOM 1584 N ALA A 103 10.777 12.471 -32.123 1.00 0.00 N ATOM 1585 CA ALA A 103 10.035 13.313 -31.193 1.00 0.00 C ATOM 1586 C ALA A 103 10.933 14.385 -30.586 1.00 0.00 C ATOM 1587 O ALA A 103 10.452 15.333 -29.967 1.00 0.00 O ATOM 1588 CB ALA A 103 9.408 12.463 -30.098 1.00 0.00 C ATOM 0 H ALA A 103 11.148 11.614 -31.712 1.00 0.00 H new ATOM 0 HA ALA A 103 9.242 13.814 -31.748 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.857 13.104 -29.410 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.726 11.739 -30.545 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.191 11.936 -29.553 1.00 0.00 H new ATOM 1594 N ARG A 104 12.240 14.226 -30.766 1.00 0.00 N ATOM 1595 CA ARG A 104 13.206 15.180 -30.233 1.00 0.00 C ATOM 1596 C ARG A 104 13.862 15.975 -31.358 1.00 0.00 C ATOM 1597 O ARG A 104 14.329 15.405 -32.344 1.00 0.00 O ATOM 1598 CB ARG A 104 14.276 14.453 -29.417 1.00 0.00 C ATOM 1599 CG ARG A 104 13.910 14.276 -27.953 1.00 0.00 C ATOM 1600 CD ARG A 104 14.509 13.002 -27.378 1.00 0.00 C ATOM 1601 NE ARG A 104 14.686 13.085 -25.931 1.00 0.00 N ATOM 1602 CZ ARG A 104 15.573 12.362 -25.256 1.00 0.00 C ATOM 1603 NH1 ARG A 104 16.359 11.507 -25.895 1.00 0.00 N ATOM 1604 NH2 ARG A 104 15.674 12.493 -23.940 1.00 0.00 N ATOM 0 H ARG A 104 12.654 13.446 -31.276 1.00 0.00 H new ATOM 0 HA ARG A 104 12.673 15.874 -29.583 1.00 0.00 H new ATOM 0 HB2 ARG A 104 14.454 13.473 -29.859 1.00 0.00 H new ATOM 0 HB3 ARG A 104 15.212 15.008 -29.484 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.263 15.135 -27.382 1.00 0.00 H new ATOM 0 HG3 ARG A 104 12.825 14.248 -27.849 1.00 0.00 H new ATOM 0 HD2 ARG A 104 13.862 12.158 -27.616 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.472 12.809 -27.851 1.00 0.00 H new ATOM 0 HE ARG A 104 14.096 13.734 -25.410 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.284 11.403 -26.907 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.039 10.953 -25.375 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.070 13.149 -23.445 1.00 0.00 H new ATOM 0 HH22 ARG A 104 16.355 11.937 -23.423 1.00 0.00 H new ATOM 1618 N SER A 105 13.893 17.295 -31.203 1.00 0.00 N ATOM 1619 CA SER A 105 14.488 18.169 -32.208 1.00 0.00 C ATOM 1620 C SER A 105 15.969 17.854 -32.393 1.00 0.00 C ATOM 1621 O SER A 105 16.447 17.704 -33.517 1.00 0.00 O ATOM 1622 CB SER A 105 14.312 19.635 -31.807 1.00 0.00 C ATOM 1623 OG SER A 105 13.095 20.158 -32.308 1.00 0.00 O ATOM 0 H SER A 105 13.513 17.783 -30.392 1.00 0.00 H new ATOM 0 HA SER A 105 13.977 17.995 -33.155 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.329 19.723 -30.721 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.148 20.222 -32.187 1.00 0.00 H new ATOM 0 HG SER A 105 12.758 19.577 -33.021 1.00 0.00 H new ATOM 1629 N GLU A 106 16.690 17.756 -31.280 1.00 0.00 N ATOM 1630 CA GLU A 106 18.118 17.460 -31.320 1.00 0.00 C ATOM 1631 C GLU A 106 18.380 16.141 -32.041 1.00 0.00 C ATOM 1632 O GLU A 106 19.427 15.958 -32.661 1.00 0.00 O ATOM 1633 CB GLU A 106 18.688 17.401 -29.901 1.00 0.00 C ATOM 1634 CG GLU A 106 20.171 17.725 -29.828 1.00 0.00 C ATOM 1635 CD GLU A 106 20.440 19.215 -29.756 1.00 0.00 C ATOM 1636 OE1 GLU A 106 19.477 19.998 -29.895 1.00 0.00 O ATOM 1637 OE2 GLU A 106 21.612 19.599 -29.560 1.00 0.00 O ATOM 0 H GLU A 106 16.310 17.877 -30.341 1.00 0.00 H new ATOM 0 HA GLU A 106 18.614 18.259 -31.870 1.00 0.00 H new ATOM 0 HB2 GLU A 106 18.140 18.100 -29.269 1.00 0.00 H new ATOM 0 HB3 GLU A 106 18.522 16.404 -29.493 1.00 0.00 H new ATOM 0 HG2 GLU A 106 20.602 17.239 -28.953 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.673 17.311 -30.702 1.00 0.00 H new ATOM 1644 N ASN A 107 17.421 15.225 -31.954 1.00 0.00 N ATOM 1645 CA ASN A 107 17.549 13.922 -32.597 1.00 0.00 C ATOM 1646 C ASN A 107 17.415 14.047 -34.111 1.00 0.00 C ATOM 1647 O ASN A 107 18.278 13.589 -34.862 1.00 0.00 O ATOM 1648 CB ASN A 107 16.489 12.959 -32.058 1.00 0.00 C ATOM 1649 CG ASN A 107 16.907 12.310 -30.752 1.00 0.00 C ATOM 1650 OD1 ASN A 107 16.448 11.220 -30.413 1.00 0.00 O ATOM 1651 ND2 ASN A 107 17.783 12.981 -30.013 1.00 0.00 N ATOM 0 H ASN A 107 16.547 15.361 -31.445 1.00 0.00 H new ATOM 0 HA ASN A 107 18.539 13.528 -32.369 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.554 13.499 -31.909 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.295 12.184 -32.800 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.102 12.595 -29.124 1.00 0.00 H new ATOM 0 HD22 ASN A 107 18.137 13.882 -30.334 1.00 0.00 H new ATOM 1658 N LEU A 108 16.329 14.670 -34.554 1.00 0.00 N ATOM 1659 CA LEU A 108 16.081 14.857 -35.980 1.00 0.00 C ATOM 1660 C LEU A 108 17.184 15.695 -36.618 1.00 0.00 C ATOM 1661 O LEU A 108 17.793 15.290 -37.609 1.00 0.00 O ATOM 1662 CB LEU A 108 14.724 15.528 -36.198 1.00 0.00 C ATOM 1663 CG LEU A 108 14.199 15.528 -37.634 1.00 0.00 C ATOM 1664 CD1 LEU A 108 14.747 14.335 -38.403 1.00 0.00 C ATOM 1665 CD2 LEU A 108 12.677 15.519 -37.646 1.00 0.00 C ATOM 0 H LEU A 108 15.605 15.055 -33.947 1.00 0.00 H new ATOM 0 HA LEU A 108 16.074 13.876 -36.455 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.990 15.032 -35.564 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.793 16.561 -35.857 1.00 0.00 H new ATOM 0 HG LEU A 108 14.541 16.439 -38.125 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.363 14.352 -39.423 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.836 14.385 -38.425 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.436 13.412 -37.913 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.321 15.519 -38.676 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.314 14.626 -37.137 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.304 16.406 -37.133 1.00 0.00 H new ATOM 1677 N LYS A 109 17.439 16.866 -36.043 1.00 0.00 N ATOM 1678 CA LYS A 109 18.471 17.760 -36.553 1.00 0.00 C ATOM 1679 C LYS A 109 19.804 17.031 -36.692 1.00 0.00 C ATOM 1680 O LYS A 109 20.582 17.310 -37.604 1.00 0.00 O ATOM 1681 CB LYS A 109 18.632 18.967 -35.626 1.00 0.00 C ATOM 1682 CG LYS A 109 19.646 18.751 -34.516 1.00 0.00 C ATOM 1683 CD LYS A 109 19.835 20.006 -33.681 1.00 0.00 C ATOM 1684 CE LYS A 109 18.502 20.655 -33.340 1.00 0.00 C ATOM 1685 NZ LYS A 109 18.653 21.727 -32.318 1.00 0.00 N ATOM 0 H LYS A 109 16.944 17.218 -35.223 1.00 0.00 H new ATOM 0 HA LYS A 109 18.162 18.105 -37.540 1.00 0.00 H new ATOM 0 HB2 LYS A 109 18.933 19.831 -36.218 1.00 0.00 H new ATOM 0 HB3 LYS A 109 17.665 19.205 -35.182 1.00 0.00 H new ATOM 0 HG2 LYS A 109 19.317 17.933 -33.875 1.00 0.00 H new ATOM 0 HG3 LYS A 109 20.601 18.453 -34.948 1.00 0.00 H new ATOM 0 HD2 LYS A 109 20.365 19.756 -32.762 1.00 0.00 H new ATOM 0 HD3 LYS A 109 20.458 20.716 -34.225 1.00 0.00 H new ATOM 0 HE2 LYS A 109 18.060 21.075 -34.244 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.812 19.896 -32.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.747 22.224 -32.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 18.938 21.305 -31.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 19.380 22.403 -32.628 1.00 0.00 H new ATOM 1699 N ILE A 110 20.058 16.096 -35.783 1.00 0.00 N ATOM 1700 CA ILE A 110 21.295 15.325 -35.807 1.00 0.00 C ATOM 1701 C ILE A 110 21.184 14.135 -36.754 1.00 0.00 C ATOM 1702 O ILE A 110 22.178 13.690 -37.328 1.00 0.00 O ATOM 1703 CB ILE A 110 21.668 14.816 -34.402 1.00 0.00 C ATOM 1704 CG1 ILE A 110 22.037 15.989 -33.492 1.00 0.00 C ATOM 1705 CG2 ILE A 110 22.817 13.822 -34.487 1.00 0.00 C ATOM 1706 CD1 ILE A 110 22.172 15.604 -32.035 1.00 0.00 C ATOM 0 H ILE A 110 19.424 15.854 -35.021 1.00 0.00 H new ATOM 0 HA ILE A 110 22.078 15.996 -36.162 1.00 0.00 H new ATOM 0 HB ILE A 110 20.804 14.307 -33.974 1.00 0.00 H new ATOM 0 HG12 ILE A 110 22.977 16.422 -33.834 1.00 0.00 H new ATOM 0 HG13 ILE A 110 21.277 16.764 -33.586 1.00 0.00 H new ATOM 0 HG21 ILE A 110 23.069 13.471 -33.486 1.00 0.00 H new ATOM 0 HG22 ILE A 110 22.520 12.974 -35.105 1.00 0.00 H new ATOM 0 HG23 ILE A 110 23.686 14.307 -34.931 1.00 0.00 H new ATOM 0 HD11 ILE A 110 22.435 16.485 -31.449 1.00 0.00 H new ATOM 0 HD12 ILE A 110 21.226 15.199 -31.677 1.00 0.00 H new ATOM 0 HD13 ILE A 110 22.953 14.851 -31.928 1.00 0.00 H new ATOM 1718 N HIS A 111 19.967 13.625 -36.914 1.00 0.00 N ATOM 1719 CA HIS A 111 19.725 12.488 -37.794 1.00 0.00 C ATOM 1720 C HIS A 111 19.663 12.932 -39.252 1.00 0.00 C ATOM 1721 O HIS A 111 19.872 12.134 -40.165 1.00 0.00 O ATOM 1722 CB HIS A 111 18.423 11.785 -37.407 1.00 0.00 C ATOM 1723 CG HIS A 111 17.921 10.837 -38.452 1.00 0.00 C ATOM 1724 ND1 HIS A 111 18.380 9.543 -38.578 1.00 0.00 N ATOM 1725 CD2 HIS A 111 16.992 11.001 -39.423 1.00 0.00 C ATOM 1726 CE1 HIS A 111 17.757 8.952 -39.582 1.00 0.00 C ATOM 1727 NE2 HIS A 111 16.909 9.815 -40.111 1.00 0.00 N ATOM 0 H HIS A 111 19.134 13.981 -36.446 1.00 0.00 H new ATOM 0 HA HIS A 111 20.554 11.790 -37.681 1.00 0.00 H new ATOM 0 HB2 HIS A 111 18.577 11.239 -36.477 1.00 0.00 H new ATOM 0 HB3 HIS A 111 17.658 12.537 -37.212 1.00 0.00 H new ATOM 0 HD1 HIS A 111 19.090 9.109 -37.988 1.00 0.00 H new ATOM 0 HD2 HIS A 111 16.422 11.897 -39.620 1.00 0.00 H new ATOM 0 HE1 HIS A 111 17.914 7.936 -39.914 1.00 0.00 H new ATOM 1735 N LYS A 112 19.373 14.212 -39.464 1.00 0.00 N ATOM 1736 CA LYS A 112 19.284 14.764 -40.810 1.00 0.00 C ATOM 1737 C LYS A 112 20.672 15.056 -41.371 1.00 0.00 C ATOM 1738 O LYS A 112 20.882 15.018 -42.584 1.00 0.00 O ATOM 1739 CB LYS A 112 18.445 16.044 -40.804 1.00 0.00 C ATOM 1740 CG LYS A 112 16.948 15.790 -40.758 1.00 0.00 C ATOM 1741 CD LYS A 112 16.206 16.947 -40.110 1.00 0.00 C ATOM 1742 CE LYS A 112 16.361 18.228 -40.915 1.00 0.00 C ATOM 1743 NZ LYS A 112 16.425 19.429 -40.037 1.00 0.00 N ATOM 0 H LYS A 112 19.196 14.886 -38.720 1.00 0.00 H new ATOM 0 HA LYS A 112 18.802 14.024 -41.448 1.00 0.00 H new ATOM 0 HB2 LYS A 112 18.729 16.650 -39.944 1.00 0.00 H new ATOM 0 HB3 LYS A 112 18.679 16.626 -41.695 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.573 15.637 -41.770 1.00 0.00 H new ATOM 0 HG3 LYS A 112 16.750 14.873 -40.203 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.149 16.698 -40.020 1.00 0.00 H new ATOM 0 HD3 LYS A 112 16.584 17.103 -39.100 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.267 18.170 -41.519 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.523 18.327 -41.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.531 20.282 -40.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.550 19.498 -39.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.239 19.347 -39.395 1.00 0.00 H new ATOM 1757 N ARG A 113 21.616 15.346 -40.482 1.00 0.00 N ATOM 1758 CA ARG A 113 22.984 15.644 -40.889 1.00 0.00 C ATOM 1759 C ARG A 113 23.727 14.368 -41.272 1.00 0.00 C ATOM 1760 O ARG A 113 24.586 14.377 -42.155 1.00 0.00 O ATOM 1761 CB ARG A 113 23.729 16.363 -39.763 1.00 0.00 C ATOM 1762 CG ARG A 113 23.583 15.688 -38.409 1.00 0.00 C ATOM 1763 CD ARG A 113 24.478 16.336 -37.364 1.00 0.00 C ATOM 1764 NE ARG A 113 23.943 17.613 -36.901 1.00 0.00 N ATOM 1765 CZ ARG A 113 24.139 18.765 -37.532 1.00 0.00 C ATOM 1766 NH1 ARG A 113 24.855 18.799 -38.648 1.00 0.00 N ATOM 1767 NH2 ARG A 113 23.619 19.885 -37.048 1.00 0.00 N ATOM 0 H ARG A 113 21.459 15.381 -39.475 1.00 0.00 H new ATOM 0 HA ARG A 113 22.943 16.296 -41.762 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.787 16.422 -40.018 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.361 17.387 -39.691 1.00 0.00 H new ATOM 0 HG2 ARG A 113 22.544 15.743 -38.084 1.00 0.00 H new ATOM 0 HG3 ARG A 113 23.834 14.631 -38.499 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.591 15.661 -36.515 1.00 0.00 H new ATOM 0 HD3 ARG A 113 25.472 16.490 -37.784 1.00 0.00 H new ATOM 0 HE ARG A 113 23.388 17.621 -36.045 1.00 0.00 H new ATOM 0 HH11 ARG A 113 25.256 17.939 -39.023 1.00 0.00 H new ATOM 0 HH12 ARG A 113 25.004 19.685 -39.131 1.00 0.00 H new ATOM 0 HH21 ARG A 113 23.068 19.862 -36.190 1.00 0.00 H new ATOM 0 HH22 ARG A 113 23.770 20.769 -37.534 1.00 0.00 H new ATOM 1884 N PHE A 121 20.500 9.147 -55.590 1.00 0.00 N ATOM 1885 CA PHE A 121 20.620 9.150 -57.043 1.00 0.00 C ATOM 1886 C PHE A 121 22.071 8.951 -57.470 1.00 0.00 C ATOM 1887 O PHE A 121 22.882 9.875 -57.404 1.00 0.00 O ATOM 1888 CB PHE A 121 20.083 10.462 -57.618 1.00 0.00 C ATOM 1889 CG PHE A 121 18.583 10.549 -57.613 1.00 0.00 C ATOM 1890 CD1 PHE A 121 17.861 10.236 -56.473 1.00 0.00 C ATOM 1891 CD2 PHE A 121 17.896 10.944 -58.750 1.00 0.00 C ATOM 1892 CE1 PHE A 121 16.481 10.316 -56.465 1.00 0.00 C ATOM 1893 CE2 PHE A 121 16.516 11.026 -58.748 1.00 0.00 C ATOM 1894 CZ PHE A 121 15.808 10.710 -57.605 1.00 0.00 C ATOM 0 HA PHE A 121 20.028 8.321 -57.432 1.00 0.00 H new ATOM 0 HB2 PHE A 121 20.489 11.294 -57.044 1.00 0.00 H new ATOM 0 HB3 PHE A 121 20.442 10.575 -58.641 1.00 0.00 H new ATOM 0 HD1 PHE A 121 18.383 9.926 -55.580 1.00 0.00 H new ATOM 0 HD2 PHE A 121 18.445 11.190 -59.647 1.00 0.00 H new ATOM 0 HE1 PHE A 121 15.930 10.071 -55.569 1.00 0.00 H new ATOM 0 HE2 PHE A 121 15.992 11.337 -59.640 1.00 0.00 H new ATOM 0 HZ PHE A 121 14.730 10.771 -57.603 1.00 0.00 H new ATOM 1904 N LYS A 122 22.392 7.738 -57.907 1.00 0.00 N ATOM 1905 CA LYS A 122 23.744 7.415 -58.346 1.00 0.00 C ATOM 1906 C LYS A 122 23.809 7.293 -59.866 1.00 0.00 C ATOM 1907 O LYS A 122 22.923 6.709 -60.490 1.00 0.00 O ATOM 1908 CB LYS A 122 24.215 6.110 -57.699 1.00 0.00 C ATOM 1909 CG LYS A 122 25.280 5.383 -58.501 1.00 0.00 C ATOM 1910 CD LYS A 122 25.950 4.295 -57.680 1.00 0.00 C ATOM 1911 CE LYS A 122 25.022 3.110 -57.462 1.00 0.00 C ATOM 1912 NZ LYS A 122 25.709 1.989 -56.762 1.00 0.00 N ATOM 0 H LYS A 122 21.733 6.962 -57.967 1.00 0.00 H new ATOM 0 HA LYS A 122 24.403 8.226 -58.036 1.00 0.00 H new ATOM 0 HB2 LYS A 122 24.606 6.328 -56.705 1.00 0.00 H new ATOM 0 HB3 LYS A 122 23.358 5.450 -57.567 1.00 0.00 H new ATOM 0 HG2 LYS A 122 24.830 4.943 -59.391 1.00 0.00 H new ATOM 0 HG3 LYS A 122 26.030 6.096 -58.842 1.00 0.00 H new ATOM 0 HD2 LYS A 122 26.855 3.961 -58.187 1.00 0.00 H new ATOM 0 HD3 LYS A 122 26.256 4.701 -56.716 1.00 0.00 H new ATOM 0 HE2 LYS A 122 24.158 3.428 -56.878 1.00 0.00 H new ATOM 0 HE3 LYS A 122 24.646 2.761 -58.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 25.043 1.201 -56.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 26.518 1.668 -57.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 26.046 2.314 -55.833 1.00 0.00 H new ATOM 1926 N CYS A 123 24.863 7.848 -60.455 1.00 0.00 N ATOM 1927 CA CYS A 123 25.044 7.801 -61.900 1.00 0.00 C ATOM 1928 C CYS A 123 24.583 6.460 -62.463 1.00 0.00 C ATOM 1929 O CYS A 123 24.905 5.404 -61.919 1.00 0.00 O ATOM 1930 CB CYS A 123 26.512 8.040 -62.259 1.00 0.00 C ATOM 1931 SG CYS A 123 26.809 8.302 -64.038 1.00 0.00 S ATOM 0 H CYS A 123 25.605 8.336 -59.953 1.00 0.00 H new ATOM 0 HA CYS A 123 24.435 8.589 -62.343 1.00 0.00 H new ATOM 0 HB2 CYS A 123 26.873 8.909 -61.709 1.00 0.00 H new ATOM 0 HB3 CYS A 123 27.100 7.185 -61.925 1.00 0.00 H new ATOM 0 HG CYS A 123 28.084 8.230 -64.280 1.00 0.00 H new ATOM 1936 N GLU A 124 23.828 6.511 -63.556 1.00 0.00 N ATOM 1937 CA GLU A 124 23.323 5.300 -64.192 1.00 0.00 C ATOM 1938 C GLU A 124 24.355 4.718 -65.153 1.00 0.00 C ATOM 1939 O GLU A 124 24.168 3.632 -65.701 1.00 0.00 O ATOM 1940 CB GLU A 124 22.022 5.595 -64.942 1.00 0.00 C ATOM 1941 CG GLU A 124 22.081 6.854 -65.790 1.00 0.00 C ATOM 1942 CD GLU A 124 20.917 6.962 -66.756 1.00 0.00 C ATOM 1943 OE1 GLU A 124 19.962 6.168 -66.626 1.00 0.00 O ATOM 1944 OE2 GLU A 124 20.961 7.842 -67.641 1.00 0.00 O ATOM 0 H GLU A 124 23.553 7.377 -64.019 1.00 0.00 H new ATOM 0 HA GLU A 124 23.126 4.566 -63.410 1.00 0.00 H new ATOM 0 HB2 GLU A 124 21.781 4.747 -65.583 1.00 0.00 H new ATOM 0 HB3 GLU A 124 21.210 5.690 -64.221 1.00 0.00 H new ATOM 0 HG2 GLU A 124 22.089 7.727 -65.137 1.00 0.00 H new ATOM 0 HG3 GLU A 124 23.016 6.867 -66.350 1.00 0.00 H new ATOM 1951 N PHE A 125 25.447 5.449 -65.353 1.00 0.00 N ATOM 1952 CA PHE A 125 26.510 5.008 -66.249 1.00 0.00 C ATOM 1953 C PHE A 125 27.285 3.843 -65.640 1.00 0.00 C ATOM 1954 O PHE A 125 27.756 3.923 -64.506 1.00 0.00 O ATOM 1955 CB PHE A 125 27.463 6.166 -66.553 1.00 0.00 C ATOM 1956 CG PHE A 125 28.107 6.071 -67.906 1.00 0.00 C ATOM 1957 CD1 PHE A 125 29.282 5.358 -68.081 1.00 0.00 C ATOM 1958 CD2 PHE A 125 27.538 6.697 -69.004 1.00 0.00 C ATOM 1959 CE1 PHE A 125 29.878 5.269 -69.325 1.00 0.00 C ATOM 1960 CE2 PHE A 125 28.129 6.611 -70.251 1.00 0.00 C ATOM 1961 CZ PHE A 125 29.301 5.897 -70.411 1.00 0.00 C ATOM 0 H PHE A 125 25.619 6.350 -64.906 1.00 0.00 H new ATOM 0 HA PHE A 125 26.052 4.671 -67.179 1.00 0.00 H new ATOM 0 HB2 PHE A 125 26.914 7.105 -66.486 1.00 0.00 H new ATOM 0 HB3 PHE A 125 28.241 6.196 -65.790 1.00 0.00 H new ATOM 0 HD1 PHE A 125 29.738 4.866 -67.235 1.00 0.00 H new ATOM 0 HD2 PHE A 125 26.623 7.258 -68.884 1.00 0.00 H new ATOM 0 HE1 PHE A 125 30.793 4.709 -69.447 1.00 0.00 H new ATOM 0 HE2 PHE A 125 27.675 7.102 -71.099 1.00 0.00 H new ATOM 0 HZ PHE A 125 29.765 5.830 -71.384 1.00 0.00 H new ATOM 1971 N GLU A 126 27.411 2.761 -66.403 1.00 0.00 N ATOM 1972 CA GLU A 126 28.127 1.579 -65.938 1.00 0.00 C ATOM 1973 C GLU A 126 29.619 1.867 -65.798 1.00 0.00 C ATOM 1974 O GLU A 126 30.204 2.579 -66.613 1.00 0.00 O ATOM 1975 CB GLU A 126 27.910 0.412 -66.903 1.00 0.00 C ATOM 1976 CG GLU A 126 28.918 -0.713 -66.735 1.00 0.00 C ATOM 1977 CD GLU A 126 28.351 -2.066 -67.118 1.00 0.00 C ATOM 1978 OE1 GLU A 126 27.281 -2.432 -66.588 1.00 0.00 O ATOM 1979 OE2 GLU A 126 28.977 -2.759 -67.947 1.00 0.00 O ATOM 0 H GLU A 126 27.027 2.679 -67.344 1.00 0.00 H new ATOM 0 HA GLU A 126 27.733 1.309 -64.958 1.00 0.00 H new ATOM 0 HB2 GLU A 126 26.906 0.013 -66.758 1.00 0.00 H new ATOM 0 HB3 GLU A 126 27.960 0.784 -67.926 1.00 0.00 H new ATOM 0 HG2 GLU A 126 29.795 -0.504 -67.347 1.00 0.00 H new ATOM 0 HG3 GLU A 126 29.253 -0.744 -65.698 1.00 0.00 H new ATOM 1986 N GLY A 127 30.229 1.308 -64.758 1.00 0.00 N ATOM 1987 CA GLY A 127 31.647 1.516 -64.529 1.00 0.00 C ATOM 1988 C GLY A 127 31.956 2.920 -64.048 1.00 0.00 C ATOM 1989 O GLY A 127 33.087 3.392 -64.171 1.00 0.00 O ATOM 0 H GLY A 127 29.767 0.714 -64.069 1.00 0.00 H new ATOM 0 HA2 GLY A 127 32.002 0.796 -63.792 1.00 0.00 H new ATOM 0 HA3 GLY A 127 32.193 1.323 -65.452 1.00 0.00 H new ATOM 1993 N CYS A 128 30.949 3.591 -63.499 1.00 0.00 N ATOM 1994 CA CYS A 128 31.117 4.950 -62.999 1.00 0.00 C ATOM 1995 C CYS A 128 30.776 5.030 -61.514 1.00 0.00 C ATOM 1996 O CYS A 128 29.922 4.292 -61.022 1.00 0.00 O ATOM 1997 CB CYS A 128 30.235 5.919 -63.789 1.00 0.00 C ATOM 1998 SG CYS A 128 30.678 7.673 -63.573 1.00 0.00 S ATOM 0 H CYS A 128 30.007 3.215 -63.389 1.00 0.00 H new ATOM 0 HA CYS A 128 32.162 5.231 -63.129 1.00 0.00 H new ATOM 0 HB2 CYS A 128 30.296 5.668 -64.848 1.00 0.00 H new ATOM 0 HB3 CYS A 128 29.197 5.778 -63.487 1.00 0.00 H new ATOM 0 HG CYS A 128 29.664 8.319 -63.078 1.00 0.00 H new ATOM 2003 N ASP A 129 31.448 5.930 -60.806 1.00 0.00 N ATOM 2004 CA ASP A 129 31.216 6.108 -59.377 1.00 0.00 C ATOM 2005 C ASP A 129 30.874 7.560 -59.059 1.00 0.00 C ATOM 2006 O ASP A 129 31.732 8.440 -59.131 1.00 0.00 O ATOM 2007 CB ASP A 129 32.447 5.674 -58.581 1.00 0.00 C ATOM 2008 CG ASP A 129 32.551 4.168 -58.450 1.00 0.00 C ATOM 2009 OD1 ASP A 129 32.370 3.469 -59.470 1.00 0.00 O ATOM 2010 OD2 ASP A 129 32.815 3.686 -57.328 1.00 0.00 O ATOM 0 H ASP A 129 32.158 6.548 -61.198 1.00 0.00 H new ATOM 0 HA ASP A 129 30.370 5.484 -59.090 1.00 0.00 H new ATOM 0 HB2 ASP A 129 33.344 6.056 -59.068 1.00 0.00 H new ATOM 0 HB3 ASP A 129 32.409 6.120 -57.587 1.00 0.00 H new ATOM 2015 N ARG A 130 29.615 7.803 -58.708 1.00 0.00 N ATOM 2016 CA ARG A 130 29.160 9.149 -58.381 1.00 0.00 C ATOM 2017 C ARG A 130 27.992 9.104 -57.399 1.00 0.00 C ATOM 2018 O ARG A 130 27.481 8.032 -57.076 1.00 0.00 O ATOM 2019 CB ARG A 130 28.744 9.892 -59.651 1.00 0.00 C ATOM 2020 CG ARG A 130 29.819 9.910 -60.726 1.00 0.00 C ATOM 2021 CD ARG A 130 30.981 10.810 -60.337 1.00 0.00 C ATOM 2022 NE ARG A 130 32.144 10.605 -61.196 1.00 0.00 N ATOM 2023 CZ ARG A 130 33.378 10.966 -60.862 1.00 0.00 C ATOM 2024 NH1 ARG A 130 33.608 11.548 -59.693 1.00 0.00 N ATOM 2025 NH2 ARG A 130 34.384 10.745 -61.698 1.00 0.00 N ATOM 0 H ARG A 130 28.893 7.086 -58.643 1.00 0.00 H new ATOM 0 HA ARG A 130 29.987 9.681 -57.911 1.00 0.00 H new ATOM 0 HB2 ARG A 130 27.845 9.427 -60.056 1.00 0.00 H new ATOM 0 HB3 ARG A 130 28.483 10.918 -59.392 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.183 8.897 -60.895 1.00 0.00 H new ATOM 0 HG3 ARG A 130 29.389 10.255 -61.666 1.00 0.00 H new ATOM 0 HD2 ARG A 130 30.667 11.852 -60.395 1.00 0.00 H new ATOM 0 HD3 ARG A 130 31.258 10.617 -59.300 1.00 0.00 H new ATOM 0 HE ARG A 130 32.001 10.160 -62.103 1.00 0.00 H new ATOM 0 HH11 ARG A 130 32.837 11.719 -59.048 1.00 0.00 H new ATOM 0 HH12 ARG A 130 34.556 11.824 -59.439 1.00 0.00 H new ATOM 0 HH21 ARG A 130 34.210 10.298 -62.598 1.00 0.00 H new ATOM 0 HH22 ARG A 130 35.331 11.023 -61.441 1.00 0.00 H new ATOM 2039 N ARG A 131 27.576 10.275 -56.929 1.00 0.00 N ATOM 2040 CA ARG A 131 26.470 10.370 -55.984 1.00 0.00 C ATOM 2041 C ARG A 131 25.651 11.633 -56.230 1.00 0.00 C ATOM 2042 O ARG A 131 26.203 12.719 -56.410 1.00 0.00 O ATOM 2043 CB ARG A 131 26.997 10.362 -54.547 1.00 0.00 C ATOM 2044 CG ARG A 131 28.184 9.436 -54.339 1.00 0.00 C ATOM 2045 CD ARG A 131 27.738 7.999 -54.122 1.00 0.00 C ATOM 2046 NE ARG A 131 28.791 7.043 -54.454 1.00 0.00 N ATOM 2047 CZ ARG A 131 28.669 5.730 -54.294 1.00 0.00 C ATOM 2048 NH1 ARG A 131 27.546 5.219 -53.809 1.00 0.00 N ATOM 2049 NH2 ARG A 131 29.673 4.925 -54.619 1.00 0.00 N ATOM 0 H ARG A 131 27.988 11.172 -57.187 1.00 0.00 H new ATOM 0 HA ARG A 131 25.824 9.505 -56.132 1.00 0.00 H new ATOM 0 HB2 ARG A 131 27.285 11.376 -54.269 1.00 0.00 H new ATOM 0 HB3 ARG A 131 26.192 10.064 -53.875 1.00 0.00 H new ATOM 0 HG2 ARG A 131 28.843 9.487 -55.206 1.00 0.00 H new ATOM 0 HG3 ARG A 131 28.763 9.772 -53.479 1.00 0.00 H new ATOM 0 HD2 ARG A 131 27.441 7.865 -53.082 1.00 0.00 H new ATOM 0 HD3 ARG A 131 26.858 7.796 -54.733 1.00 0.00 H new ATOM 0 HE ARG A 131 29.668 7.403 -54.829 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.772 5.835 -53.558 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.455 4.210 -53.687 1.00 0.00 H new ATOM 0 HH21 ARG A 131 30.539 5.315 -54.992 1.00 0.00 H new ATOM 0 HH22 ARG A 131 29.579 3.917 -54.496 1.00 0.00 H new ATOM 2063 N PHE A 132 24.330 11.484 -56.236 1.00 0.00 N ATOM 2064 CA PHE A 132 23.434 12.612 -56.461 1.00 0.00 C ATOM 2065 C PHE A 132 22.134 12.439 -55.682 1.00 0.00 C ATOM 2066 O PHE A 132 21.794 11.334 -55.259 1.00 0.00 O ATOM 2067 CB PHE A 132 23.131 12.760 -57.954 1.00 0.00 C ATOM 2068 CG PHE A 132 24.359 12.741 -58.819 1.00 0.00 C ATOM 2069 CD1 PHE A 132 25.102 13.894 -59.015 1.00 0.00 C ATOM 2070 CD2 PHE A 132 24.769 11.570 -59.437 1.00 0.00 C ATOM 2071 CE1 PHE A 132 26.232 13.879 -59.812 1.00 0.00 C ATOM 2072 CE2 PHE A 132 25.898 11.550 -60.234 1.00 0.00 C ATOM 2073 CZ PHE A 132 26.631 12.705 -60.421 1.00 0.00 C ATOM 0 H PHE A 132 23.857 10.593 -56.088 1.00 0.00 H new ATOM 0 HA PHE A 132 23.932 13.515 -56.106 1.00 0.00 H new ATOM 0 HB2 PHE A 132 22.466 11.954 -58.263 1.00 0.00 H new ATOM 0 HB3 PHE A 132 22.596 13.695 -58.117 1.00 0.00 H new ATOM 0 HD1 PHE A 132 24.795 14.814 -58.540 1.00 0.00 H new ATOM 0 HD2 PHE A 132 24.200 10.663 -59.294 1.00 0.00 H new ATOM 0 HE1 PHE A 132 26.802 14.784 -59.958 1.00 0.00 H new ATOM 0 HE2 PHE A 132 26.207 10.631 -60.710 1.00 0.00 H new ATOM 0 HZ PHE A 132 27.514 12.691 -61.042 1.00 0.00 H new ATOM 2083 N ALA A 133 21.412 13.538 -55.495 1.00 0.00 N ATOM 2084 CA ALA A 133 20.149 13.508 -54.768 1.00 0.00 C ATOM 2085 C ALA A 133 18.989 13.931 -55.664 1.00 0.00 C ATOM 2086 O ALA A 133 17.824 13.776 -55.302 1.00 0.00 O ATOM 2087 CB ALA A 133 20.224 14.406 -53.542 1.00 0.00 C ATOM 0 H ALA A 133 21.680 14.461 -55.837 1.00 0.00 H new ATOM 0 HA ALA A 133 19.970 12.483 -54.444 1.00 0.00 H new ATOM 0 HB1 ALA A 133 19.274 14.374 -53.009 1.00 0.00 H new ATOM 0 HB2 ALA A 133 21.021 14.058 -52.885 1.00 0.00 H new ATOM 0 HB3 ALA A 133 20.431 15.430 -53.853 1.00 0.00 H new ATOM 2093 N ASN A 134 19.317 14.466 -56.836 1.00 0.00 N ATOM 2094 CA ASN A 134 18.302 14.912 -57.784 1.00 0.00 C ATOM 2095 C ASN A 134 18.684 14.528 -59.210 1.00 0.00 C ATOM 2096 O ASN A 134 19.835 14.678 -59.618 1.00 0.00 O ATOM 2097 CB ASN A 134 18.114 16.427 -57.685 1.00 0.00 C ATOM 2098 CG ASN A 134 19.429 17.179 -57.752 1.00 0.00 C ATOM 2099 OD1 ASN A 134 19.732 17.834 -58.750 1.00 0.00 O ATOM 2100 ND2 ASN A 134 20.218 17.088 -56.688 1.00 0.00 N ATOM 0 H ASN A 134 20.277 14.601 -57.152 1.00 0.00 H new ATOM 0 HA ASN A 134 17.363 14.418 -57.533 1.00 0.00 H new ATOM 0 HB2 ASN A 134 17.465 16.763 -58.493 1.00 0.00 H new ATOM 0 HB3 ASN A 134 17.609 16.667 -56.750 1.00 0.00 H new ATOM 0 HD21 ASN A 134 21.116 17.572 -56.676 1.00 0.00 H new ATOM 0 HD22 ASN A 134 19.926 16.534 -55.883 1.00 0.00 H new ATOM 2107 N SER A 135 17.708 14.031 -59.964 1.00 0.00 N ATOM 2108 CA SER A 135 17.941 13.622 -61.344 1.00 0.00 C ATOM 2109 C SER A 135 18.680 14.711 -62.116 1.00 0.00 C ATOM 2110 O SER A 135 19.540 14.423 -62.948 1.00 0.00 O ATOM 2111 CB SER A 135 16.614 13.302 -62.035 1.00 0.00 C ATOM 2112 OG SER A 135 16.246 11.949 -61.830 1.00 0.00 O ATOM 0 H SER A 135 16.749 13.902 -59.642 1.00 0.00 H new ATOM 0 HA SER A 135 18.561 12.725 -61.331 1.00 0.00 H new ATOM 0 HB2 SER A 135 15.833 13.957 -61.650 1.00 0.00 H new ATOM 0 HB3 SER A 135 16.699 13.501 -63.103 1.00 0.00 H new ATOM 0 HG SER A 135 15.394 11.770 -62.280 1.00 0.00 H new ATOM 2118 N SER A 136 18.337 15.964 -61.834 1.00 0.00 N ATOM 2119 CA SER A 136 18.964 17.098 -62.504 1.00 0.00 C ATOM 2120 C SER A 136 20.483 17.023 -62.390 1.00 0.00 C ATOM 2121 O SER A 136 21.196 17.106 -63.391 1.00 0.00 O ATOM 2122 CB SER A 136 18.460 18.413 -61.905 1.00 0.00 C ATOM 2123 OG SER A 136 17.142 18.699 -62.340 1.00 0.00 O ATOM 0 H SER A 136 17.628 16.220 -61.146 1.00 0.00 H new ATOM 0 HA SER A 136 18.694 17.061 -63.559 1.00 0.00 H new ATOM 0 HB2 SER A 136 18.482 18.353 -60.817 1.00 0.00 H new ATOM 0 HB3 SER A 136 19.126 19.226 -62.193 1.00 0.00 H new ATOM 0 HG SER A 136 16.842 19.543 -61.942 1.00 0.00 H new ATOM 2129 N ASP A 137 20.972 16.866 -61.165 1.00 0.00 N ATOM 2130 CA ASP A 137 22.407 16.779 -60.919 1.00 0.00 C ATOM 2131 C ASP A 137 23.007 15.569 -61.627 1.00 0.00 C ATOM 2132 O ASP A 137 24.028 15.678 -62.306 1.00 0.00 O ATOM 2133 CB ASP A 137 22.684 16.697 -59.417 1.00 0.00 C ATOM 2134 CG ASP A 137 24.018 17.310 -59.040 1.00 0.00 C ATOM 2135 OD1 ASP A 137 24.823 17.586 -59.954 1.00 0.00 O ATOM 2136 OD2 ASP A 137 24.258 17.513 -57.831 1.00 0.00 O ATOM 0 H ASP A 137 20.396 16.796 -60.326 1.00 0.00 H new ATOM 0 HA ASP A 137 22.875 17.679 -61.318 1.00 0.00 H new ATOM 0 HB2 ASP A 137 21.887 17.207 -58.875 1.00 0.00 H new ATOM 0 HB3 ASP A 137 22.666 15.653 -59.104 1.00 0.00 H new ATOM 2141 N ARG A 138 22.366 14.416 -61.463 1.00 0.00 N ATOM 2142 CA ARG A 138 22.838 13.184 -62.084 1.00 0.00 C ATOM 2143 C ARG A 138 22.895 13.328 -63.602 1.00 0.00 C ATOM 2144 O ARG A 138 23.797 12.802 -64.254 1.00 0.00 O ATOM 2145 CB ARG A 138 21.928 12.015 -61.705 1.00 0.00 C ATOM 2146 CG ARG A 138 21.943 10.879 -62.715 1.00 0.00 C ATOM 2147 CD ARG A 138 21.619 9.546 -62.059 1.00 0.00 C ATOM 2148 NE ARG A 138 20.238 9.488 -61.589 1.00 0.00 N ATOM 2149 CZ ARG A 138 19.209 9.170 -62.367 1.00 0.00 C ATOM 2150 NH1 ARG A 138 19.406 8.881 -63.646 1.00 0.00 N ATOM 2151 NH2 ARG A 138 17.981 9.139 -61.865 1.00 0.00 N ATOM 0 H ARG A 138 21.519 14.309 -60.905 1.00 0.00 H new ATOM 0 HA ARG A 138 23.845 12.984 -61.717 1.00 0.00 H new ATOM 0 HB2 ARG A 138 22.233 11.629 -60.732 1.00 0.00 H new ATOM 0 HB3 ARG A 138 20.907 12.381 -61.597 1.00 0.00 H new ATOM 0 HG2 ARG A 138 21.219 11.083 -63.504 1.00 0.00 H new ATOM 0 HG3 ARG A 138 22.923 10.824 -63.188 1.00 0.00 H new ATOM 0 HD2 ARG A 138 21.793 8.740 -62.771 1.00 0.00 H new ATOM 0 HD3 ARG A 138 22.295 9.381 -61.220 1.00 0.00 H new ATOM 0 HE ARG A 138 20.053 9.703 -60.609 1.00 0.00 H new ATOM 0 HH11 ARG A 138 20.349 8.903 -64.034 1.00 0.00 H new ATOM 0 HH12 ARG A 138 18.615 8.637 -64.242 1.00 0.00 H new ATOM 0 HH21 ARG A 138 17.827 9.359 -60.881 1.00 0.00 H new ATOM 0 HH22 ARG A 138 17.192 8.895 -62.463 1.00 0.00 H new ATOM 2165 N LYS A 139 21.924 14.044 -64.160 1.00 0.00 N ATOM 2166 CA LYS A 139 21.862 14.258 -65.601 1.00 0.00 C ATOM 2167 C LYS A 139 22.929 15.251 -66.049 1.00 0.00 C ATOM 2168 O LYS A 139 23.352 15.244 -67.206 1.00 0.00 O ATOM 2169 CB LYS A 139 20.476 14.768 -66.002 1.00 0.00 C ATOM 2170 CG LYS A 139 20.322 15.002 -67.495 1.00 0.00 C ATOM 2171 CD LYS A 139 18.950 15.559 -67.834 1.00 0.00 C ATOM 2172 CE LYS A 139 17.843 14.768 -67.153 1.00 0.00 C ATOM 2173 NZ LYS A 139 16.495 15.158 -67.651 1.00 0.00 N ATOM 0 H LYS A 139 21.169 14.486 -63.636 1.00 0.00 H new ATOM 0 HA LYS A 139 22.048 13.304 -66.094 1.00 0.00 H new ATOM 0 HB2 LYS A 139 19.725 14.048 -65.676 1.00 0.00 H new ATOM 0 HB3 LYS A 139 20.274 15.700 -65.474 1.00 0.00 H new ATOM 0 HG2 LYS A 139 21.091 15.694 -67.837 1.00 0.00 H new ATOM 0 HG3 LYS A 139 20.477 14.064 -68.029 1.00 0.00 H new ATOM 0 HD2 LYS A 139 18.894 16.603 -67.527 1.00 0.00 H new ATOM 0 HD3 LYS A 139 18.804 15.536 -68.914 1.00 0.00 H new ATOM 0 HE2 LYS A 139 17.999 13.703 -67.325 1.00 0.00 H new ATOM 0 HE3 LYS A 139 17.892 14.928 -66.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 15.769 14.596 -67.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 16.335 16.169 -67.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 16.439 14.982 -68.674 1.00 0.00 H new ATOM 2187 N LYS A 140 23.363 16.103 -65.127 1.00 0.00 N ATOM 2188 CA LYS A 140 24.384 17.101 -65.426 1.00 0.00 C ATOM 2189 C LYS A 140 25.761 16.454 -65.535 1.00 0.00 C ATOM 2190 O LYS A 140 26.674 17.013 -66.143 1.00 0.00 O ATOM 2191 CB LYS A 140 24.401 18.183 -64.344 1.00 0.00 C ATOM 2192 CG LYS A 140 23.422 19.315 -64.600 1.00 0.00 C ATOM 2193 CD LYS A 140 23.205 20.158 -63.355 1.00 0.00 C ATOM 2194 CE LYS A 140 24.512 20.409 -62.618 1.00 0.00 C ATOM 2195 NZ LYS A 140 25.505 21.116 -63.474 1.00 0.00 N ATOM 0 H LYS A 140 23.024 16.123 -64.165 1.00 0.00 H new ATOM 0 HA LYS A 140 24.140 17.559 -66.385 1.00 0.00 H new ATOM 0 HB2 LYS A 140 24.171 17.726 -63.381 1.00 0.00 H new ATOM 0 HB3 LYS A 140 25.408 18.594 -64.269 1.00 0.00 H new ATOM 0 HG2 LYS A 140 23.797 19.945 -65.406 1.00 0.00 H new ATOM 0 HG3 LYS A 140 22.469 18.904 -64.933 1.00 0.00 H new ATOM 0 HD2 LYS A 140 22.754 21.111 -63.633 1.00 0.00 H new ATOM 0 HD3 LYS A 140 22.502 19.654 -62.691 1.00 0.00 H new ATOM 0 HE2 LYS A 140 24.317 21.001 -61.724 1.00 0.00 H new ATOM 0 HE3 LYS A 140 24.930 19.459 -62.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 26.304 20.482 -63.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 25.054 21.399 -64.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 25.851 21.962 -62.978 1.00 0.00 H new ATOM 2209 N HIS A 141 25.904 15.272 -64.943 1.00 0.00 N ATOM 2210 CA HIS A 141 27.169 14.548 -64.976 1.00 0.00 C ATOM 2211 C HIS A 141 27.276 13.697 -66.237 1.00 0.00 C ATOM 2212 O HIS A 141 28.271 13.004 -66.447 1.00 0.00 O ATOM 2213 CB HIS A 141 27.308 13.664 -63.736 1.00 0.00 C ATOM 2214 CG HIS A 141 28.341 12.589 -63.880 1.00 0.00 C ATOM 2215 ND1 HIS A 141 29.677 12.788 -63.603 1.00 0.00 N ATOM 2216 CD2 HIS A 141 28.227 11.299 -64.272 1.00 0.00 C ATOM 2217 CE1 HIS A 141 30.341 11.666 -63.820 1.00 0.00 C ATOM 2218 NE2 HIS A 141 29.484 10.747 -64.227 1.00 0.00 N ATOM 0 H HIS A 141 25.159 14.796 -64.435 1.00 0.00 H new ATOM 0 HA HIS A 141 27.977 15.279 -64.984 1.00 0.00 H new ATOM 0 HB2 HIS A 141 27.563 14.290 -62.881 1.00 0.00 H new ATOM 0 HB3 HIS A 141 26.344 13.204 -63.518 1.00 0.00 H new ATOM 0 HD2 HIS A 141 27.317 10.797 -64.566 1.00 0.00 H new ATOM 0 HE1 HIS A 141 31.403 11.525 -63.687 1.00 0.00 H new ATOM 0 HE2 HIS A 141 29.718 9.784 -64.469 1.00 0.00 H new ATOM 2226 N MET A 142 26.244 13.754 -67.073 1.00 0.00 N ATOM 2227 CA MET A 142 26.223 12.989 -68.314 1.00 0.00 C ATOM 2228 C MET A 142 26.880 13.771 -69.447 1.00 0.00 C ATOM 2229 O MET A 142 27.299 13.194 -70.451 1.00 0.00 O ATOM 2230 CB MET A 142 24.784 12.632 -68.693 1.00 0.00 C ATOM 2231 CG MET A 142 23.936 12.189 -67.512 1.00 0.00 C ATOM 2232 SD MET A 142 24.001 10.408 -67.239 1.00 0.00 S ATOM 2233 CE MET A 142 25.315 10.299 -66.027 1.00 0.00 C ATOM 0 H MET A 142 25.412 14.322 -66.913 1.00 0.00 H new ATOM 0 HA MET A 142 26.789 12.071 -68.155 1.00 0.00 H new ATOM 0 HB2 MET A 142 24.315 13.497 -69.162 1.00 0.00 H new ATOM 0 HB3 MET A 142 24.800 11.836 -69.437 1.00 0.00 H new ATOM 0 HG2 MET A 142 24.276 12.703 -66.613 1.00 0.00 H new ATOM 0 HG3 MET A 142 22.902 12.489 -67.679 1.00 0.00 H new ATOM 0 HE1 MET A 142 25.911 9.406 -66.216 1.00 0.00 H new ATOM 0 HE2 MET A 142 25.950 11.182 -66.099 1.00 0.00 H new ATOM 0 HE3 MET A 142 24.884 10.242 -65.027 1.00 0.00 H new ATOM 2243 N HIS A 143 26.968 15.086 -69.278 1.00 0.00 N ATOM 2244 CA HIS A 143 27.575 15.947 -70.287 1.00 0.00 C ATOM 2245 C HIS A 143 29.001 15.500 -70.596 1.00 0.00 C ATOM 2246 O HIS A 143 29.555 15.835 -71.643 1.00 0.00 O ATOM 2247 CB HIS A 143 27.575 17.401 -69.815 1.00 0.00 C ATOM 2248 CG HIS A 143 26.235 18.063 -69.912 1.00 0.00 C ATOM 2249 ND1 HIS A 143 25.725 18.558 -71.094 1.00 0.00 N ATOM 2250 CD2 HIS A 143 25.297 18.307 -68.967 1.00 0.00 C ATOM 2251 CE1 HIS A 143 24.532 19.081 -70.871 1.00 0.00 C ATOM 2252 NE2 HIS A 143 24.249 18.941 -69.588 1.00 0.00 N ATOM 0 H HIS A 143 26.627 15.579 -68.453 1.00 0.00 H new ATOM 0 HA HIS A 143 26.983 15.869 -71.199 1.00 0.00 H new ATOM 0 HB2 HIS A 143 27.915 17.438 -68.780 1.00 0.00 H new ATOM 0 HB3 HIS A 143 28.294 17.967 -70.408 1.00 0.00 H new ATOM 0 HD2 HIS A 143 25.361 18.051 -67.920 1.00 0.00 H new ATOM 0 HE1 HIS A 143 23.897 19.544 -71.611 1.00 0.00 H new ATOM 0 HE2 HIS A 143 23.391 19.253 -69.133 1.00 0.00 H new ATOM 2260 N VAL A 144 29.591 14.742 -69.677 1.00 0.00 N ATOM 2261 CA VAL A 144 30.952 14.249 -69.850 1.00 0.00 C ATOM 2262 C VAL A 144 30.955 12.806 -70.340 1.00 0.00 C ATOM 2263 O VAL A 144 31.960 12.316 -70.856 1.00 0.00 O ATOM 2264 CB VAL A 144 31.752 14.336 -68.537 1.00 0.00 C ATOM 2265 CG1 VAL A 144 30.817 14.304 -67.338 1.00 0.00 C ATOM 2266 CG2 VAL A 144 32.771 13.209 -68.460 1.00 0.00 C ATOM 0 H VAL A 144 29.147 14.456 -68.804 1.00 0.00 H new ATOM 0 HA VAL A 144 31.426 14.885 -70.598 1.00 0.00 H new ATOM 0 HB VAL A 144 32.290 15.284 -68.521 1.00 0.00 H new ATOM 0 HG11 VAL A 144 31.401 14.366 -66.420 1.00 0.00 H new ATOM 0 HG12 VAL A 144 30.130 15.149 -67.390 1.00 0.00 H new ATOM 0 HG13 VAL A 144 30.249 13.374 -67.344 1.00 0.00 H new ATOM 0 HG21 VAL A 144 33.328 13.285 -67.526 1.00 0.00 H new ATOM 0 HG22 VAL A 144 32.256 12.249 -68.498 1.00 0.00 H new ATOM 0 HG23 VAL A 144 33.461 13.284 -69.301 1.00 0.00 H new ATOM 2276 N HIS A 145 29.823 12.128 -70.176 1.00 0.00 N ATOM 2277 CA HIS A 145 29.695 10.739 -70.603 1.00 0.00 C ATOM 2278 C HIS A 145 29.519 10.650 -72.116 1.00 0.00 C ATOM 2279 O HIS A 145 29.989 9.706 -72.752 1.00 0.00 O ATOM 2280 CB HIS A 145 28.510 10.075 -69.901 1.00 0.00 C ATOM 2281 CG HIS A 145 28.871 9.430 -68.598 1.00 0.00 C ATOM 2282 ND1 HIS A 145 29.843 8.458 -68.484 1.00 0.00 N ATOM 2283 CD2 HIS A 145 28.385 9.624 -67.350 1.00 0.00 C ATOM 2284 CE1 HIS A 145 29.938 8.081 -67.221 1.00 0.00 C ATOM 2285 NE2 HIS A 145 29.065 8.773 -66.512 1.00 0.00 N ATOM 0 H HIS A 145 28.982 12.518 -69.751 1.00 0.00 H new ATOM 0 HA HIS A 145 30.611 10.215 -70.329 1.00 0.00 H new ATOM 0 HB2 HIS A 145 27.737 10.823 -69.725 1.00 0.00 H new ATOM 0 HB3 HIS A 145 28.081 9.323 -70.563 1.00 0.00 H new ATOM 0 HD1 HIS A 145 30.401 8.088 -69.254 1.00 0.00 H new ATOM 0 HD2 HIS A 145 27.608 10.318 -67.066 1.00 0.00 H new ATOM 0 HE1 HIS A 145 30.615 7.334 -66.834 1.00 0.00 H new