USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 709 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 103 HIS :FLIP no HE2:sc= -2.93 F(o=-7.1!,f=-4) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= -1.1 F(o=-4.5,f=-4) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.898 K(o=2,f=-3) USER MOD Set 2.2: A 71 THR OG1 : rot -129:sc= 1.13 USER MOD Set 3.1: A 50 CYS SG : rot 180:sc= 0.00326 USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 18 THR OG1 : rot 180:sc= -0.22 USER MOD Set 4.2: A 20 SER OG : rot 180:sc=-0.00179 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.3!) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -3.17 F(o=-5.6!,f=-3.2) USER MOD Single : A 16 ASN : amide:sc= -1.09! C(o=-1.1!,f=-4.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=0.000762 USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= -0.0636 (180deg=-0.374) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.98 K(o=-2,f=-7.5!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 0.545 (180deg=0.421) USER MOD Single : A 73 GLN : amide:sc= -0.322 K(o=-0.32,f=-3.3!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 142:sc= -0.477 (180deg=-2.12!) USER MOD Single : A 88 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.068) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= -0.101 (180deg=-0.726) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.064 -0.706 -12.002 1.00 0.00 N ATOM 114 CA CYS A 11 3.297 -0.014 -11.641 1.00 0.00 C ATOM 115 C CYS A 11 3.307 0.342 -10.158 1.00 0.00 C ATOM 116 O CYS A 11 4.365 0.566 -9.571 1.00 0.00 O ATOM 117 CB CYS A 11 3.461 1.252 -12.483 1.00 0.00 C ATOM 118 SG CYS A 11 3.976 0.942 -14.189 1.00 0.00 S ATOM 0 HA CYS A 11 4.133 -0.685 -11.840 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.515 1.794 -12.493 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.195 1.901 -12.005 1.00 0.00 H new ATOM 0 HG CYS A 11 4.085 2.072 -14.821 1.00 0.00 H new ATOM 124 N TRP A 12 2.122 0.394 -9.560 1.00 0.00 N ATOM 125 CA TRP A 12 1.994 0.726 -8.146 1.00 0.00 C ATOM 126 C TRP A 12 2.232 -0.504 -7.275 1.00 0.00 C ATOM 127 O TRP A 12 2.258 -0.411 -6.049 1.00 0.00 O ATOM 128 CB TRP A 12 0.609 1.308 -7.860 1.00 0.00 C ATOM 129 CG TRP A 12 -0.495 0.594 -8.579 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.185 1.040 -9.671 1.00 0.00 C ATOM 131 CD2 TRP A 12 -1.038 -0.690 -8.256 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.124 0.109 -10.045 1.00 0.00 N ATOM 133 CE2 TRP A 12 -2.053 -0.962 -9.194 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.765 -1.639 -7.266 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.794 -2.140 -9.169 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.501 -2.808 -7.243 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.505 -3.051 -8.189 1.00 0.00 C ATOM 0 H TRP A 12 1.237 0.211 -10.032 1.00 0.00 H new ATOM 0 HA TRP A 12 2.750 1.473 -7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.420 1.267 -6.787 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.599 2.360 -8.146 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.017 1.985 -10.167 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.769 0.201 -10.829 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.007 -1.461 -6.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.569 -2.329 -9.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.299 -3.547 -6.482 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.062 -3.975 -8.144 1.00 0.00 H new ATOM 148 N ASN A 13 2.404 -1.654 -7.918 1.00 0.00 N ATOM 149 CA ASN A 13 2.639 -2.902 -7.201 1.00 0.00 C ATOM 150 C ASN A 13 4.100 -3.327 -7.311 1.00 0.00 C ATOM 151 O ASN A 13 4.438 -4.236 -8.070 1.00 0.00 O ATOM 152 CB ASN A 13 1.732 -4.007 -7.747 1.00 0.00 C ATOM 153 CG ASN A 13 1.660 -5.206 -6.822 1.00 0.00 C ATOM 154 OD1 ASN A 13 2.677 -5.664 -6.301 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.454 -5.721 -6.614 1.00 0.00 N ATOM 0 H ASN A 13 2.385 -1.748 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 13 2.406 -2.736 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.729 -3.608 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.099 -4.326 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.343 -6.529 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.362 -5.309 -7.067 1.00 0.00 H new ATOM 162 N HIS A 14 4.963 -2.662 -6.549 1.00 0.00 N ATOM 163 CA HIS A 14 6.388 -2.971 -6.560 1.00 0.00 C ATOM 164 C HIS A 14 6.624 -4.460 -6.322 1.00 0.00 C ATOM 165 O HIS A 14 7.174 -5.156 -7.174 1.00 0.00 O ATOM 166 CB HIS A 14 7.118 -2.151 -5.496 1.00 0.00 C ATOM 167 CG HIS A 14 7.335 -0.721 -5.887 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.462 0.223 -6.309 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.574 -0.115 -5.868 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 7.182 1.371 -6.535 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 8.453 1.140 -6.261 1.00 0.00 N flip ATOM 0 H HIS A 14 4.700 -1.906 -5.917 1.00 0.00 H new ATOM 0 HA HIS A 14 6.783 -2.711 -7.542 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.546 -2.183 -4.569 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.083 -2.614 -5.291 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.498 -0.592 -5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.775 2.310 -6.881 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.213 1.816 -6.340 1.00 0.00 H new ATOM 180 N GLY A 15 6.204 -4.941 -5.156 1.00 0.00 N ATOM 181 CA GLY A 15 6.379 -6.343 -4.826 1.00 0.00 C ATOM 182 C GLY A 15 7.177 -6.544 -3.553 1.00 0.00 C ATOM 183 O GLY A 15 6.997 -5.817 -2.578 1.00 0.00 O ATOM 0 H GLY A 15 5.746 -4.385 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.401 -6.812 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.883 -6.847 -5.651 1.00 0.00 H new ATOM 187 N ASN A 16 8.062 -7.536 -3.562 1.00 0.00 N ATOM 188 CA ASN A 16 8.889 -7.833 -2.398 1.00 0.00 C ATOM 189 C ASN A 16 10.020 -6.817 -2.262 1.00 0.00 C ATOM 190 O ASN A 16 11.109 -7.010 -2.803 1.00 0.00 O ATOM 191 CB ASN A 16 9.467 -9.245 -2.504 1.00 0.00 C ATOM 192 CG ASN A 16 10.459 -9.549 -1.397 1.00 0.00 C ATOM 193 OD1 ASN A 16 10.702 -8.718 -0.521 1.00 0.00 O ATOM 194 ND2 ASN A 16 11.037 -10.744 -1.432 1.00 0.00 N ATOM 0 H ASN A 16 8.225 -8.147 -4.362 1.00 0.00 H new ATOM 0 HA ASN A 16 8.260 -7.771 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.654 -9.971 -2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.958 -9.362 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.713 -11.005 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.805 -11.401 -2.177 1.00 0.00 H new ATOM 201 N ILE A 17 9.753 -5.737 -1.535 1.00 0.00 N ATOM 202 CA ILE A 17 10.749 -4.693 -1.327 1.00 0.00 C ATOM 203 C ILE A 17 10.911 -4.377 0.156 1.00 0.00 C ATOM 204 O ILE A 17 10.007 -4.619 0.957 1.00 0.00 O ATOM 205 CB ILE A 17 10.375 -3.401 -2.078 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.984 -2.923 -1.655 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.429 -3.629 -3.581 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.757 -1.446 -1.887 1.00 0.00 C ATOM 0 H ILE A 17 8.857 -5.562 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 17 11.692 -5.072 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 17 11.097 -2.626 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.232 -3.489 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.839 -3.143 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.162 -2.708 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.437 -3.928 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.726 -4.416 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.751 -1.177 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.487 -0.872 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.870 -1.223 -2.948 1.00 0.00 H new ATOM 220 N THR A 18 12.068 -3.831 0.516 1.00 0.00 N ATOM 221 CA THR A 18 12.350 -3.480 1.903 1.00 0.00 C ATOM 222 C THR A 18 11.546 -2.259 2.334 1.00 0.00 C ATOM 223 O THR A 18 11.077 -1.486 1.499 1.00 0.00 O ATOM 224 CB THR A 18 13.848 -3.196 2.117 1.00 0.00 C ATOM 225 OG1 THR A 18 14.077 -2.765 3.463 1.00 0.00 O ATOM 226 CG2 THR A 18 14.342 -2.133 1.148 1.00 0.00 C ATOM 0 H THR A 18 12.826 -3.622 -0.134 1.00 0.00 H new ATOM 0 HA THR A 18 12.060 -4.336 2.512 1.00 0.00 H new ATOM 0 HB THR A 18 14.400 -4.118 1.932 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.032 -2.588 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.403 -1.950 1.319 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.193 -2.477 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.784 -1.210 1.305 1.00 0.00 H new ATOM 234 N ARG A 19 11.391 -2.091 3.644 1.00 0.00 N ATOM 235 CA ARG A 19 10.643 -0.964 4.186 1.00 0.00 C ATOM 236 C ARG A 19 11.235 0.360 3.712 1.00 0.00 C ATOM 237 O ARG A 19 10.579 1.129 3.009 1.00 0.00 O ATOM 238 CB ARG A 19 10.640 -1.014 5.715 1.00 0.00 C ATOM 239 CG ARG A 19 9.879 0.132 6.361 1.00 0.00 C ATOM 240 CD ARG A 19 9.685 -0.098 7.852 1.00 0.00 C ATOM 241 NE ARG A 19 9.511 1.155 8.581 1.00 0.00 N ATOM 242 CZ ARG A 19 8.354 1.803 8.663 1.00 0.00 C ATOM 243 NH1 ARG A 19 7.275 1.318 8.064 1.00 0.00 N ATOM 244 NH2 ARG A 19 8.275 2.938 9.345 1.00 0.00 N ATOM 0 H ARG A 19 11.774 -2.721 4.349 1.00 0.00 H new ATOM 0 HA ARG A 19 9.617 -1.034 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.201 -1.958 6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.670 -1.002 6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.421 1.065 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.907 0.242 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.814 -0.733 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.547 -0.633 8.251 1.00 0.00 H new ATOM 0 HE ARG A 19 10.322 1.555 9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.332 0.445 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.388 1.817 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.103 3.314 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.386 3.435 9.407 1.00 0.00 H new ATOM 258 N SER A 20 12.479 0.620 4.101 1.00 0.00 N ATOM 259 CA SER A 20 13.159 1.852 3.719 1.00 0.00 C ATOM 260 C SER A 20 12.795 2.254 2.293 1.00 0.00 C ATOM 261 O SER A 20 12.496 3.417 2.019 1.00 0.00 O ATOM 262 CB SER A 20 14.674 1.684 3.842 1.00 0.00 C ATOM 263 OG SER A 20 15.130 0.590 3.066 1.00 0.00 O ATOM 0 H SER A 20 13.037 -0.007 4.681 1.00 0.00 H new ATOM 0 HA SER A 20 12.833 2.642 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.172 2.597 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.942 1.530 4.887 1.00 0.00 H new ATOM 0 HG SER A 20 16.102 0.505 3.160 1.00 0.00 H new ATOM 269 N LYS A 21 12.821 1.283 1.387 1.00 0.00 N ATOM 270 CA LYS A 21 12.493 1.531 -0.012 1.00 0.00 C ATOM 271 C LYS A 21 11.074 2.074 -0.150 1.00 0.00 C ATOM 272 O LYS A 21 10.842 3.059 -0.850 1.00 0.00 O ATOM 273 CB LYS A 21 12.640 0.245 -0.828 1.00 0.00 C ATOM 274 CG LYS A 21 12.461 0.450 -2.323 1.00 0.00 C ATOM 275 CD LYS A 21 13.530 1.366 -2.892 1.00 0.00 C ATOM 276 CE LYS A 21 13.402 1.502 -4.402 1.00 0.00 C ATOM 277 NZ LYS A 21 14.334 2.527 -4.948 1.00 0.00 N ATOM 0 H LYS A 21 13.066 0.315 1.597 1.00 0.00 H new ATOM 0 HA LYS A 21 13.188 2.278 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.626 -0.182 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.907 -0.483 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.499 -0.514 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.476 0.874 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.452 2.350 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.516 0.974 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.605 0.540 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.377 1.771 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.216 2.589 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.124 3.451 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.314 2.258 -4.727 1.00 0.00 H new ATOM 291 N ALA A 22 10.129 1.427 0.524 1.00 0.00 N ATOM 292 CA ALA A 22 8.734 1.847 0.479 1.00 0.00 C ATOM 293 C ALA A 22 8.596 3.327 0.820 1.00 0.00 C ATOM 294 O ALA A 22 8.170 4.127 -0.013 1.00 0.00 O ATOM 295 CB ALA A 22 7.898 1.004 1.430 1.00 0.00 C ATOM 0 H ALA A 22 10.304 0.609 1.108 1.00 0.00 H new ATOM 0 HA ALA A 22 8.368 1.699 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.858 1.329 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.963 -0.045 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.273 1.123 2.447 1.00 0.00 H new ATOM 301 N GLU A 23 8.957 3.683 2.048 1.00 0.00 N ATOM 302 CA GLU A 23 8.871 5.068 2.498 1.00 0.00 C ATOM 303 C GLU A 23 9.692 5.985 1.597 1.00 0.00 C ATOM 304 O GLU A 23 9.251 7.075 1.237 1.00 0.00 O ATOM 305 CB GLU A 23 9.356 5.188 3.944 1.00 0.00 C ATOM 306 CG GLU A 23 8.397 4.589 4.960 1.00 0.00 C ATOM 307 CD GLU A 23 8.589 5.161 6.351 1.00 0.00 C ATOM 308 OE1 GLU A 23 8.122 6.292 6.598 1.00 0.00 O ATOM 309 OE2 GLU A 23 9.207 4.476 7.193 1.00 0.00 O ATOM 0 H GLU A 23 9.312 3.033 2.749 1.00 0.00 H new ATOM 0 HA GLU A 23 7.827 5.376 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.324 4.695 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.511 6.241 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.372 4.768 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.537 3.509 4.993 1.00 0.00 H new ATOM 316 N GLU A 24 10.889 5.533 1.236 1.00 0.00 N ATOM 317 CA GLU A 24 11.773 6.314 0.378 1.00 0.00 C ATOM 318 C GLU A 24 11.013 6.868 -0.824 1.00 0.00 C ATOM 319 O GLU A 24 11.017 8.075 -1.072 1.00 0.00 O ATOM 320 CB GLU A 24 12.947 5.456 -0.099 1.00 0.00 C ATOM 321 CG GLU A 24 13.914 6.198 -1.005 1.00 0.00 C ATOM 322 CD GLU A 24 14.736 7.232 -0.260 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.382 6.864 0.744 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.732 8.408 -0.679 1.00 0.00 O ATOM 0 H GLU A 24 11.269 4.631 1.524 1.00 0.00 H new ATOM 0 HA GLU A 24 12.157 7.151 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.490 5.083 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.559 4.587 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.583 5.481 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.355 6.689 -1.802 1.00 0.00 H new ATOM 331 N LEU A 25 10.363 5.980 -1.567 1.00 0.00 N ATOM 332 CA LEU A 25 9.599 6.379 -2.744 1.00 0.00 C ATOM 333 C LEU A 25 8.600 7.478 -2.397 1.00 0.00 C ATOM 334 O LEU A 25 8.669 8.585 -2.933 1.00 0.00 O ATOM 335 CB LEU A 25 8.864 5.173 -3.332 1.00 0.00 C ATOM 336 CG LEU A 25 9.736 3.975 -3.711 1.00 0.00 C ATOM 337 CD1 LEU A 25 8.922 2.691 -3.675 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.353 4.179 -5.087 1.00 0.00 C ATOM 0 H LEU A 25 10.349 4.978 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 25 10.297 6.768 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.118 4.840 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.324 5.500 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 25 10.542 3.891 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.558 1.849 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.528 2.538 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.095 2.764 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.970 3.317 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.561 4.289 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.970 5.077 -5.079 1.00 0.00 H new ATOM 350 N LEU A 26 7.674 7.167 -1.497 1.00 0.00 N ATOM 351 CA LEU A 26 6.662 8.129 -1.077 1.00 0.00 C ATOM 352 C LEU A 26 7.279 9.506 -0.852 1.00 0.00 C ATOM 353 O LEU A 26 6.944 10.467 -1.544 1.00 0.00 O ATOM 354 CB LEU A 26 5.976 7.650 0.204 1.00 0.00 C ATOM 355 CG LEU A 26 5.031 6.458 0.054 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.583 5.955 1.418 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.827 6.835 -0.798 1.00 0.00 C ATOM 0 H LEU A 26 7.603 6.256 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 26 5.920 8.209 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.747 7.388 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.413 8.483 0.624 1.00 0.00 H new ATOM 0 HG LEU A 26 5.570 5.654 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.911 5.106 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.454 5.644 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.063 6.753 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.165 5.974 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.288 7.656 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.164 7.146 -1.787 1.00 0.00 H new ATOM 369 N SER A 27 8.184 9.592 0.118 1.00 0.00 N ATOM 370 CA SER A 27 8.847 10.851 0.434 1.00 0.00 C ATOM 371 C SER A 27 9.443 11.482 -0.820 1.00 0.00 C ATOM 372 O SER A 27 9.054 12.579 -1.222 1.00 0.00 O ATOM 373 CB SER A 27 9.944 10.626 1.477 1.00 0.00 C ATOM 374 OG SER A 27 10.582 11.845 1.817 1.00 0.00 O ATOM 0 H SER A 27 8.474 8.805 0.698 1.00 0.00 H new ATOM 0 HA SER A 27 8.101 11.533 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.513 10.176 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.680 9.922 1.089 1.00 0.00 H new ATOM 0 HG SER A 27 11.277 11.675 2.486 1.00 0.00 H new ATOM 380 N ARG A 28 10.390 10.780 -1.435 1.00 0.00 N ATOM 381 CA ARG A 28 11.041 11.270 -2.644 1.00 0.00 C ATOM 382 C ARG A 28 10.057 12.045 -3.515 1.00 0.00 C ATOM 383 O ARG A 28 10.206 13.251 -3.717 1.00 0.00 O ATOM 384 CB ARG A 28 11.634 10.105 -3.438 1.00 0.00 C ATOM 385 CG ARG A 28 12.977 9.628 -2.908 1.00 0.00 C ATOM 386 CD ARG A 28 13.625 8.629 -3.853 1.00 0.00 C ATOM 387 NE ARG A 28 14.400 9.289 -4.901 1.00 0.00 N ATOM 388 CZ ARG A 28 15.505 9.988 -4.667 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.963 10.116 -3.430 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.154 10.560 -5.673 1.00 0.00 N ATOM 0 H ARG A 28 10.723 9.870 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 28 11.845 11.943 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.931 9.272 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.750 10.407 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.639 10.483 -2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.841 9.169 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.276 7.963 -3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.854 8.009 -4.309 1.00 0.00 H new ATOM 0 HE ARG A 28 14.075 9.209 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.467 9.677 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.812 10.653 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.804 10.463 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.002 11.097 -5.493 1.00 0.00 H new ATOM 404 N THR A 29 9.052 11.345 -4.031 1.00 0.00 N ATOM 405 CA THR A 29 8.045 11.966 -4.882 1.00 0.00 C ATOM 406 C THR A 29 7.604 13.312 -4.319 1.00 0.00 C ATOM 407 O THR A 29 7.739 14.344 -4.975 1.00 0.00 O ATOM 408 CB THR A 29 6.810 11.060 -5.044 1.00 0.00 C ATOM 409 OG1 THR A 29 7.218 9.737 -5.411 1.00 0.00 O ATOM 410 CG2 THR A 29 5.865 11.616 -6.099 1.00 0.00 C ATOM 0 H THR A 29 8.914 10.347 -3.874 1.00 0.00 H new ATOM 0 HA THR A 29 8.506 12.117 -5.858 1.00 0.00 H new ATOM 0 HB THR A 29 6.284 11.026 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.427 9.167 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.001 10.959 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.533 12.611 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.383 11.677 -7.056 1.00 0.00 H new ATOM 418 N GLY A 30 7.076 13.293 -3.099 1.00 0.00 N ATOM 419 CA GLY A 30 6.623 14.520 -2.469 1.00 0.00 C ATOM 420 C GLY A 30 5.392 15.096 -3.139 1.00 0.00 C ATOM 421 O GLY A 30 5.416 16.222 -3.638 1.00 0.00 O ATOM 0 H GLY A 30 6.954 12.451 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.404 14.326 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.426 15.257 -2.496 1.00 0.00 H new ATOM 425 N LYS A 31 4.311 14.323 -3.155 1.00 0.00 N ATOM 426 CA LYS A 31 3.064 14.762 -3.769 1.00 0.00 C ATOM 427 C LYS A 31 1.863 14.315 -2.942 1.00 0.00 C ATOM 428 O LYS A 31 1.905 13.280 -2.278 1.00 0.00 O ATOM 429 CB LYS A 31 2.951 14.210 -5.192 1.00 0.00 C ATOM 430 CG LYS A 31 3.744 15.003 -6.217 1.00 0.00 C ATOM 431 CD LYS A 31 3.277 14.708 -7.633 1.00 0.00 C ATOM 432 CE LYS A 31 3.650 15.832 -8.588 1.00 0.00 C ATOM 433 NZ LYS A 31 2.889 17.079 -8.299 1.00 0.00 N ATOM 0 H LYS A 31 4.274 13.388 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 31 3.071 15.851 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.295 13.176 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.902 14.199 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.640 16.069 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.803 14.762 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.722 13.774 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.196 14.567 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.719 16.033 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.456 15.517 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.858 17.673 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.920 16.835 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.357 17.601 -7.531 1.00 0.00 H new ATOM 447 N ASP A 32 0.793 15.102 -2.989 1.00 0.00 N ATOM 448 CA ASP A 32 -0.421 14.785 -2.246 1.00 0.00 C ATOM 449 C ASP A 32 -1.304 13.821 -3.032 1.00 0.00 C ATOM 450 O ASP A 32 -1.984 14.216 -3.978 1.00 0.00 O ATOM 451 CB ASP A 32 -1.198 16.064 -1.929 1.00 0.00 C ATOM 452 CG ASP A 32 -1.373 16.952 -3.145 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.372 16.772 -3.872 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.509 17.826 -3.370 1.00 0.00 O ATOM 0 H ASP A 32 0.742 15.963 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.131 14.304 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.178 15.801 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.676 16.619 -1.150 1.00 0.00 H new ATOM 459 N GLY A 33 -1.286 12.552 -2.635 1.00 0.00 N ATOM 460 CA GLY A 33 -2.087 11.551 -3.314 1.00 0.00 C ATOM 461 C GLY A 33 -1.257 10.388 -3.818 1.00 0.00 C ATOM 462 O GLY A 33 -1.664 9.678 -4.738 1.00 0.00 O ATOM 0 H GLY A 33 -0.731 12.200 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.852 11.179 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.606 12.014 -4.154 1.00 0.00 H new ATOM 466 N SER A 34 -0.088 10.192 -3.216 1.00 0.00 N ATOM 467 CA SER A 34 0.806 9.110 -3.614 1.00 0.00 C ATOM 468 C SER A 34 0.473 7.827 -2.859 1.00 0.00 C ATOM 469 O SER A 34 0.146 7.857 -1.673 1.00 0.00 O ATOM 470 CB SER A 34 2.262 9.503 -3.358 1.00 0.00 C ATOM 471 OG SER A 34 2.706 10.460 -4.305 1.00 0.00 O ATOM 0 H SER A 34 0.262 10.768 -2.451 1.00 0.00 H new ATOM 0 HA SER A 34 0.668 8.930 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.361 9.910 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.895 8.617 -3.407 1.00 0.00 H new ATOM 0 HG SER A 34 3.639 10.696 -4.119 1.00 0.00 H new ATOM 477 N PHE A 35 0.559 6.699 -3.557 1.00 0.00 N ATOM 478 CA PHE A 35 0.266 5.403 -2.955 1.00 0.00 C ATOM 479 C PHE A 35 1.027 4.288 -3.667 1.00 0.00 C ATOM 480 O PHE A 35 1.432 4.436 -4.821 1.00 0.00 O ATOM 481 CB PHE A 35 -1.237 5.122 -3.004 1.00 0.00 C ATOM 482 CG PHE A 35 -1.717 4.663 -4.351 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.973 5.579 -5.359 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.914 3.316 -4.609 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.415 5.160 -6.600 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.356 2.892 -5.848 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.607 3.815 -6.844 1.00 0.00 C ATOM 0 H PHE A 35 0.829 6.656 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 35 0.589 5.432 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.481 4.362 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.777 6.026 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.825 6.633 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.720 2.590 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.610 5.884 -7.377 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.505 1.839 -6.037 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.953 3.485 -7.812 1.00 0.00 H new ATOM 497 N LEU A 36 1.218 3.173 -2.971 1.00 0.00 N ATOM 498 CA LEU A 36 1.931 2.032 -3.535 1.00 0.00 C ATOM 499 C LEU A 36 1.611 0.755 -2.764 1.00 0.00 C ATOM 500 O LEU A 36 0.970 0.796 -1.714 1.00 0.00 O ATOM 501 CB LEU A 36 3.439 2.288 -3.517 1.00 0.00 C ATOM 502 CG LEU A 36 4.104 2.288 -2.140 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.157 0.878 -1.574 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.501 2.884 -2.223 1.00 0.00 C ATOM 0 H LEU A 36 0.889 3.034 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 36 1.603 1.904 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.923 1.530 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.629 3.251 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 36 3.507 2.905 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.633 0.897 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.144 0.486 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.731 0.238 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.959 2.876 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.108 2.294 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.438 3.910 -2.585 1.00 0.00 H new ATOM 516 N VAL A 37 2.065 -0.378 -3.292 1.00 0.00 N ATOM 517 CA VAL A 37 1.830 -1.666 -2.652 1.00 0.00 C ATOM 518 C VAL A 37 3.118 -2.477 -2.561 1.00 0.00 C ATOM 519 O VAL A 37 4.015 -2.332 -3.392 1.00 0.00 O ATOM 520 CB VAL A 37 0.772 -2.487 -3.413 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.417 -3.749 -2.642 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.468 -1.645 -3.675 1.00 0.00 C ATOM 0 H VAL A 37 2.597 -0.429 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 37 1.463 -1.458 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 37 1.191 -2.785 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.332 -4.315 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.311 -4.359 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.017 -3.478 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.205 -2.241 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.891 -1.315 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.197 -0.775 -4.273 1.00 0.00 H new ATOM 532 N ARG A 38 3.202 -3.332 -1.547 1.00 0.00 N ATOM 533 CA ARG A 38 4.381 -4.166 -1.347 1.00 0.00 C ATOM 534 C ARG A 38 4.010 -5.474 -0.654 1.00 0.00 C ATOM 535 O ARG A 38 3.389 -5.471 0.408 1.00 0.00 O ATOM 536 CB ARG A 38 5.427 -3.418 -0.519 1.00 0.00 C ATOM 537 CG ARG A 38 4.948 -3.042 0.873 1.00 0.00 C ATOM 538 CD ARG A 38 5.967 -2.177 1.598 1.00 0.00 C ATOM 539 NE ARG A 38 5.494 -1.764 2.917 1.00 0.00 N ATOM 540 CZ ARG A 38 5.556 -2.538 3.995 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.067 -3.758 3.911 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.105 -2.092 5.161 1.00 0.00 N ATOM 0 H ARG A 38 2.468 -3.465 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 38 4.801 -4.399 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.320 -4.038 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.719 -2.512 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.001 -2.507 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.760 -3.947 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.901 -2.729 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.185 -1.294 0.998 1.00 0.00 H new ATOM 0 HE ARG A 38 5.094 -0.831 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.414 -4.105 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.113 -4.350 4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.710 -1.154 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.153 -2.687 5.988 1.00 0.00 H new ATOM 556 N ALA A 39 4.395 -6.591 -1.265 1.00 0.00 N ATOM 557 CA ALA A 39 4.104 -7.906 -0.706 1.00 0.00 C ATOM 558 C ALA A 39 4.370 -7.935 0.795 1.00 0.00 C ATOM 559 O ALA A 39 5.125 -7.116 1.318 1.00 0.00 O ATOM 560 CB ALA A 39 4.928 -8.972 -1.412 1.00 0.00 C ATOM 0 H ALA A 39 4.909 -6.611 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 39 3.046 -8.116 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.701 -9.949 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.685 -8.975 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.989 -8.757 -1.283 1.00 0.00 H new ATOM 566 N SER A 40 3.745 -8.885 1.483 1.00 0.00 N ATOM 567 CA SER A 40 3.910 -9.019 2.926 1.00 0.00 C ATOM 568 C SER A 40 4.669 -10.297 3.269 1.00 0.00 C ATOM 569 O SER A 40 4.530 -11.315 2.591 1.00 0.00 O ATOM 570 CB SER A 40 2.547 -9.020 3.619 1.00 0.00 C ATOM 571 OG SER A 40 2.676 -8.723 4.999 1.00 0.00 O ATOM 0 H SER A 40 3.120 -9.574 1.064 1.00 0.00 H new ATOM 0 HA SER A 40 4.489 -8.167 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.894 -8.287 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.074 -9.994 3.496 1.00 0.00 H new ATOM 0 HG SER A 40 1.791 -8.728 5.419 1.00 0.00 H new ATOM 657 N ALA A 46 -0.570 -11.828 1.674 1.00 0.00 N ATOM 658 CA ALA A 46 -1.006 -10.512 2.123 1.00 0.00 C ATOM 659 C ALA A 46 -0.283 -9.405 1.363 1.00 0.00 C ATOM 660 O ALA A 46 0.550 -9.675 0.498 1.00 0.00 O ATOM 661 CB ALA A 46 -0.779 -10.363 3.620 1.00 0.00 C ATOM 0 HA ALA A 46 -2.073 -10.420 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.109 -9.375 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.347 -11.126 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.282 -10.480 3.841 1.00 0.00 H new ATOM 667 N TYR A 47 -0.606 -8.160 1.692 1.00 0.00 N ATOM 668 CA TYR A 47 0.011 -7.012 1.039 1.00 0.00 C ATOM 669 C TYR A 47 0.003 -5.793 1.956 1.00 0.00 C ATOM 670 O TYR A 47 -0.609 -5.810 3.024 1.00 0.00 O ATOM 671 CB TYR A 47 -0.720 -6.687 -0.266 1.00 0.00 C ATOM 672 CG TYR A 47 -0.198 -7.455 -1.459 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.972 -7.069 -2.101 1.00 0.00 C ATOM 674 CD2 TYR A 47 -0.874 -8.568 -1.944 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.452 -7.767 -3.192 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.401 -9.273 -3.034 1.00 0.00 C ATOM 677 CZ TYR A 47 0.762 -8.868 -3.655 1.00 0.00 C ATOM 678 OH TYR A 47 1.237 -9.567 -4.741 1.00 0.00 O ATOM 0 H TYR A 47 -1.292 -7.920 2.408 1.00 0.00 H new ATOM 0 HA TYR A 47 1.046 -7.268 0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.781 -6.902 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.633 -5.619 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.516 -6.208 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.785 -8.888 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.363 -7.452 -3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.939 -10.136 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 47 0.635 -10.315 -4.938 1.00 0.00 H new ATOM 688 N ALA A 48 0.686 -4.736 1.530 1.00 0.00 N ATOM 689 CA ALA A 48 0.756 -3.506 2.311 1.00 0.00 C ATOM 690 C ALA A 48 0.531 -2.283 1.429 1.00 0.00 C ATOM 691 O ALA A 48 1.425 -1.859 0.697 1.00 0.00 O ATOM 692 CB ALA A 48 2.099 -3.408 3.020 1.00 0.00 C ATOM 0 H ALA A 48 1.199 -4.706 0.649 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.037 -3.533 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.138 -2.485 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.221 -4.261 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.901 -3.407 2.282 1.00 0.00 H new ATOM 698 N LEU A 49 -0.670 -1.720 1.503 1.00 0.00 N ATOM 699 CA LEU A 49 -1.014 -0.544 0.711 1.00 0.00 C ATOM 700 C LEU A 49 -0.647 0.738 1.451 1.00 0.00 C ATOM 701 O LEU A 49 -1.405 1.219 2.294 1.00 0.00 O ATOM 702 CB LEU A 49 -2.508 -0.546 0.382 1.00 0.00 C ATOM 703 CG LEU A 49 -3.073 0.758 -0.183 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.517 1.023 -1.573 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.593 0.712 -0.214 1.00 0.00 C ATOM 0 H LEU A 49 -1.422 -2.059 2.103 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.443 -0.582 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.700 -1.343 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.059 -0.794 1.289 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.768 1.576 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.930 1.955 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.431 1.102 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.790 0.203 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.977 1.648 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.919 -0.116 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.973 0.571 0.798 1.00 0.00 H new ATOM 717 N CYS A 50 0.519 1.287 1.129 1.00 0.00 N ATOM 718 CA CYS A 50 0.987 2.515 1.763 1.00 0.00 C ATOM 719 C CYS A 50 0.439 3.742 1.041 1.00 0.00 C ATOM 720 O CYS A 50 0.187 3.706 -0.163 1.00 0.00 O ATOM 721 CB CYS A 50 2.516 2.557 1.775 1.00 0.00 C ATOM 722 SG CYS A 50 3.282 1.253 2.766 1.00 0.00 S ATOM 0 H CYS A 50 1.158 0.902 0.433 1.00 0.00 H new ATOM 0 HA CYS A 50 0.622 2.526 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.879 2.480 0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.839 3.526 2.156 1.00 0.00 H new ATOM 0 HG CYS A 50 4.576 1.370 2.712 1.00 0.00 H new ATOM 728 N VAL A 51 0.254 4.827 1.787 1.00 0.00 N ATOM 729 CA VAL A 51 -0.266 6.065 1.219 1.00 0.00 C ATOM 730 C VAL A 51 0.392 7.282 1.860 1.00 0.00 C ATOM 731 O VAL A 51 0.651 7.299 3.064 1.00 0.00 O ATOM 732 CB VAL A 51 -1.792 6.167 1.397 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.312 7.473 0.815 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.484 4.975 0.754 1.00 0.00 C ATOM 0 H VAL A 51 0.457 4.873 2.786 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.033 6.047 0.154 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.017 6.157 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.392 7.527 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.840 8.312 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.077 7.517 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.562 5.064 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.253 4.951 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.134 4.055 1.222 1.00 0.00 H new ATOM 744 N LEU A 52 0.659 8.299 1.049 1.00 0.00 N ATOM 745 CA LEU A 52 1.287 9.522 1.536 1.00 0.00 C ATOM 746 C LEU A 52 0.292 10.679 1.544 1.00 0.00 C ATOM 747 O LEU A 52 -0.264 11.040 0.507 1.00 0.00 O ATOM 748 CB LEU A 52 2.495 9.880 0.669 1.00 0.00 C ATOM 749 CG LEU A 52 3.355 11.044 1.163 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.276 10.589 2.285 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.161 11.635 0.016 1.00 0.00 C ATOM 0 H LEU A 52 0.450 8.301 0.051 1.00 0.00 H new ATOM 0 HA LEU A 52 1.621 9.346 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.129 8.998 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.140 10.117 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 52 2.695 11.818 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.880 11.431 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.679 10.213 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.930 9.797 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.767 12.462 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.811 10.868 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.483 11.999 -0.756 1.00 0.00 H new ATOM 763 N TYR A 53 0.075 11.258 2.720 1.00 0.00 N ATOM 764 CA TYR A 53 -0.852 12.374 2.863 1.00 0.00 C ATOM 765 C TYR A 53 -0.469 13.252 4.050 1.00 0.00 C ATOM 766 O TYR A 53 -0.306 12.765 5.169 1.00 0.00 O ATOM 767 CB TYR A 53 -2.282 11.858 3.036 1.00 0.00 C ATOM 768 CG TYR A 53 -3.319 12.956 3.098 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.806 13.545 1.937 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.811 13.406 4.317 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.753 14.549 1.989 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.759 14.408 4.378 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.227 14.977 3.212 1.00 0.00 C ATOM 774 OH TYR A 53 -6.171 15.977 3.269 1.00 0.00 O ATOM 0 H TYR A 53 0.529 10.973 3.588 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.798 12.977 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.521 11.191 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.337 11.266 3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.438 13.212 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.446 12.964 5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.120 14.997 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.132 14.745 5.334 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.398 16.159 4.205 1.00 0.00 H new ATOM 784 N ARG A 54 -0.329 14.549 3.797 1.00 0.00 N ATOM 785 CA ARG A 54 0.035 15.496 4.844 1.00 0.00 C ATOM 786 C ARG A 54 1.302 15.048 5.566 1.00 0.00 C ATOM 787 O ARG A 54 1.387 15.115 6.792 1.00 0.00 O ATOM 788 CB ARG A 54 -1.110 15.645 5.847 1.00 0.00 C ATOM 789 CG ARG A 54 -2.266 16.488 5.332 1.00 0.00 C ATOM 790 CD ARG A 54 -3.073 17.085 6.474 1.00 0.00 C ATOM 791 NE ARG A 54 -4.376 17.570 6.028 1.00 0.00 N ATOM 792 CZ ARG A 54 -5.349 17.931 6.858 1.00 0.00 C ATOM 793 NH1 ARG A 54 -5.166 17.863 8.169 1.00 0.00 N ATOM 794 NH2 ARG A 54 -6.508 18.363 6.376 1.00 0.00 N ATOM 0 H ARG A 54 -0.462 14.968 2.877 1.00 0.00 H new ATOM 0 HA ARG A 54 0.226 16.461 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.482 14.655 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.724 16.094 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.881 17.288 4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.916 15.874 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.212 16.333 7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.514 17.907 6.922 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.549 17.635 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.276 17.533 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.915 18.141 8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.652 18.418 5.368 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.254 18.640 7.014 1.00 0.00 H new ATOM 808 N ASN A 55 2.285 14.591 4.797 1.00 0.00 N ATOM 809 CA ASN A 55 3.548 14.131 5.363 1.00 0.00 C ATOM 810 C ASN A 55 3.317 13.000 6.361 1.00 0.00 C ATOM 811 O ASN A 55 3.769 13.065 7.505 1.00 0.00 O ATOM 812 CB ASN A 55 4.276 15.289 6.048 1.00 0.00 C ATOM 813 CG ASN A 55 4.120 16.596 5.295 1.00 0.00 C ATOM 814 OD1 ASN A 55 3.011 17.106 5.137 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.234 17.145 4.825 1.00 0.00 N ATOM 0 H ASN A 55 2.231 14.529 3.780 1.00 0.00 H new ATOM 0 HA ASN A 55 4.166 13.753 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.891 15.408 7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.335 15.048 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.191 18.024 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.132 16.687 4.979 1.00 0.00 H new ATOM 822 N CYS A 56 2.611 11.965 5.920 1.00 0.00 N ATOM 823 CA CYS A 56 2.319 10.819 6.774 1.00 0.00 C ATOM 824 C CYS A 56 2.101 9.561 5.940 1.00 0.00 C ATOM 825 O CYS A 56 1.421 9.593 4.914 1.00 0.00 O ATOM 826 CB CYS A 56 1.084 11.097 7.632 1.00 0.00 C ATOM 827 SG CYS A 56 1.024 10.148 9.170 1.00 0.00 S ATOM 0 H CYS A 56 2.230 11.896 4.976 1.00 0.00 H new ATOM 0 HA CYS A 56 3.177 10.656 7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.054 12.160 7.872 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.191 10.877 7.047 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.055 10.454 9.827 1.00 0.00 H new ATOM 833 N VAL A 57 2.684 8.453 6.387 1.00 0.00 N ATOM 834 CA VAL A 57 2.554 7.183 5.681 1.00 0.00 C ATOM 835 C VAL A 57 1.467 6.316 6.306 1.00 0.00 C ATOM 836 O VAL A 57 1.538 5.967 7.485 1.00 0.00 O ATOM 837 CB VAL A 57 3.882 6.402 5.682 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.684 5.012 5.099 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.949 7.166 4.912 1.00 0.00 C ATOM 0 H VAL A 57 3.251 8.409 7.234 1.00 0.00 H new ATOM 0 HA VAL A 57 2.280 7.419 4.653 1.00 0.00 H new ATOM 0 HB VAL A 57 4.219 6.292 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.633 4.475 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.953 4.467 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.324 5.095 4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.881 6.600 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.623 7.308 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.109 8.138 5.379 1.00 0.00 H new ATOM 849 N TYR A 58 0.462 5.972 5.509 1.00 0.00 N ATOM 850 CA TYR A 58 -0.642 5.147 5.984 1.00 0.00 C ATOM 851 C TYR A 58 -0.535 3.726 5.437 1.00 0.00 C ATOM 852 O TYR A 58 -0.961 3.445 4.317 1.00 0.00 O ATOM 853 CB TYR A 58 -1.981 5.763 5.574 1.00 0.00 C ATOM 854 CG TYR A 58 -2.169 7.182 6.062 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.444 8.230 5.507 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.070 7.475 7.077 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.611 9.528 5.950 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.246 8.770 7.526 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.514 9.792 6.959 1.00 0.00 C ATOM 860 OH TYR A 58 -2.685 11.083 7.404 1.00 0.00 O ATOM 0 H TYR A 58 0.389 6.252 4.531 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.587 5.104 7.072 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.061 5.748 4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.790 5.144 5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.738 8.026 4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.644 6.676 7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.038 10.331 5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.952 8.980 8.316 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.358 11.097 8.117 1.00 0.00 H new ATOM 870 N THR A 59 0.036 2.832 6.238 1.00 0.00 N ATOM 871 CA THR A 59 0.201 1.441 5.837 1.00 0.00 C ATOM 872 C THR A 59 -1.078 0.646 6.074 1.00 0.00 C ATOM 873 O THR A 59 -1.561 0.550 7.203 1.00 0.00 O ATOM 874 CB THR A 59 1.359 0.769 6.600 1.00 0.00 C ATOM 875 OG1 THR A 59 2.537 1.579 6.513 1.00 0.00 O ATOM 876 CG2 THR A 59 1.645 -0.615 6.038 1.00 0.00 C ATOM 0 H THR A 59 0.392 3.047 7.169 1.00 0.00 H new ATOM 0 HA THR A 59 0.432 1.444 4.772 1.00 0.00 H new ATOM 0 HB THR A 59 1.066 0.666 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.268 1.147 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.466 -1.070 6.592 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.755 -1.237 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.919 -0.531 4.986 1.00 0.00 H new ATOM 884 N TYR A 60 -1.622 0.076 5.004 1.00 0.00 N ATOM 885 CA TYR A 60 -2.846 -0.710 5.096 1.00 0.00 C ATOM 886 C TYR A 60 -2.592 -2.162 4.704 1.00 0.00 C ATOM 887 O TYR A 60 -2.388 -2.473 3.530 1.00 0.00 O ATOM 888 CB TYR A 60 -3.931 -0.110 4.200 1.00 0.00 C ATOM 889 CG TYR A 60 -4.374 1.271 4.627 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.061 1.464 5.819 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.105 2.383 3.839 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.468 2.724 6.213 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.508 3.647 4.225 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.189 3.812 5.413 1.00 0.00 C ATOM 895 OH TYR A 60 -5.592 5.069 5.802 1.00 0.00 O ATOM 0 H TYR A 60 -1.234 0.144 4.063 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.186 -0.687 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.560 -0.063 3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.795 -0.774 4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.281 0.614 6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.572 2.257 2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.002 2.856 7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.291 4.501 3.600 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.316 5.724 5.128 1.00 0.00 H new ATOM 905 N ARG A 61 -2.606 -3.047 5.695 1.00 0.00 N ATOM 906 CA ARG A 61 -2.376 -4.467 5.455 1.00 0.00 C ATOM 907 C ARG A 61 -3.586 -5.106 4.780 1.00 0.00 C ATOM 908 O ARG A 61 -4.709 -5.010 5.276 1.00 0.00 O ATOM 909 CB ARG A 61 -2.073 -5.186 6.771 1.00 0.00 C ATOM 910 CG ARG A 61 -2.978 -4.764 7.917 1.00 0.00 C ATOM 911 CD ARG A 61 -2.824 -5.687 9.116 1.00 0.00 C ATOM 912 NE ARG A 61 -3.865 -5.463 10.116 1.00 0.00 N ATOM 913 CZ ARG A 61 -4.238 -6.376 11.006 1.00 0.00 C ATOM 914 NH1 ARG A 61 -3.660 -7.569 11.019 1.00 0.00 N ATOM 915 NH2 ARG A 61 -5.193 -6.097 11.884 1.00 0.00 N ATOM 0 H ARG A 61 -2.774 -2.806 6.672 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.517 -4.564 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.170 -6.261 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.036 -4.996 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.742 -3.741 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.016 -4.769 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.859 -6.724 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.845 -5.531 9.570 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.331 -4.556 10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.927 -7.788 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.948 -8.268 11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.641 -5.181 11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.479 -6.799 12.567 1.00 0.00 H new ATOM 929 N ILE A 62 -3.348 -5.759 3.647 1.00 0.00 N ATOM 930 CA ILE A 62 -4.418 -6.414 2.905 1.00 0.00 C ATOM 931 C ILE A 62 -4.439 -7.914 3.180 1.00 0.00 C ATOM 932 O ILE A 62 -3.674 -8.676 2.587 1.00 0.00 O ATOM 933 CB ILE A 62 -4.275 -6.184 1.389 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.420 -4.697 1.061 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.307 -7.003 0.629 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.121 -3.927 1.157 1.00 0.00 C ATOM 0 H ILE A 62 -2.424 -5.848 3.223 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.354 -5.971 3.245 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.282 -6.510 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.821 -4.593 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.147 -4.253 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.193 -6.829 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.160 -8.062 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.308 -6.705 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.300 -2.880 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.729 -4.000 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.397 -4.346 0.457 1.00 0.00 H new ATOM 948 N LEU A 63 -5.320 -8.332 4.082 1.00 0.00 N ATOM 949 CA LEU A 63 -5.443 -9.742 4.436 1.00 0.00 C ATOM 950 C LEU A 63 -6.339 -10.476 3.443 1.00 0.00 C ATOM 951 O LEU A 63 -7.353 -9.953 2.979 1.00 0.00 O ATOM 952 CB LEU A 63 -6.005 -9.886 5.851 1.00 0.00 C ATOM 953 CG LEU A 63 -4.978 -9.897 6.983 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.022 -11.070 6.826 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.211 -8.583 7.020 1.00 0.00 C ATOM 0 H LEU A 63 -5.960 -7.715 4.582 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.449 -10.189 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.703 -9.068 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.580 -10.811 5.900 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.509 -10.012 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.298 -11.061 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.584 -12.003 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.497 -10.987 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.484 -8.609 7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.692 -8.438 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.907 -7.760 7.182 1.00 0.00 H new ATOM 967 N PRO A 64 -5.960 -11.719 3.110 1.00 0.00 N ATOM 968 CA PRO A 64 -6.717 -12.553 2.172 1.00 0.00 C ATOM 969 C PRO A 64 -8.053 -13.009 2.749 1.00 0.00 C ATOM 970 O PRO A 64 -8.279 -12.926 3.956 1.00 0.00 O ATOM 971 CB PRO A 64 -5.796 -13.753 1.941 1.00 0.00 C ATOM 972 CG PRO A 64 -4.954 -13.826 3.168 1.00 0.00 C ATOM 973 CD PRO A 64 -4.764 -12.406 3.625 1.00 0.00 C ATOM 0 HA PRO A 64 -6.972 -12.013 1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.368 -14.670 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.185 -13.617 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.440 -14.423 3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.995 -14.299 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.698 -12.339 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.848 -11.974 3.223 1.00 0.00 H new ATOM 981 N ASN A 65 -8.934 -13.493 1.880 1.00 0.00 N ATOM 982 CA ASN A 65 -10.248 -13.963 2.304 1.00 0.00 C ATOM 983 C ASN A 65 -10.403 -15.457 2.038 1.00 0.00 C ATOM 984 O ASN A 65 -9.494 -16.102 1.517 1.00 0.00 O ATOM 985 CB ASN A 65 -11.349 -13.187 1.579 1.00 0.00 C ATOM 986 CG ASN A 65 -11.761 -11.934 2.327 1.00 0.00 C ATOM 987 OD1 ASN A 65 -11.508 -10.817 1.876 1.00 0.00 O ATOM 988 ND2 ASN A 65 -12.401 -12.115 3.477 1.00 0.00 N ATOM 0 H ASN A 65 -8.762 -13.570 0.878 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.339 -13.792 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.002 -12.914 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.218 -13.831 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.704 -11.309 4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.589 -13.060 3.813 1.00 0.00 H new ATOM 995 N GLU A 66 -11.562 -16.000 2.399 1.00 0.00 N ATOM 996 CA GLU A 66 -11.835 -17.418 2.198 1.00 0.00 C ATOM 997 C GLU A 66 -11.623 -17.812 0.740 1.00 0.00 C ATOM 998 O GLU A 66 -11.046 -18.860 0.446 1.00 0.00 O ATOM 999 CB GLU A 66 -13.267 -17.749 2.625 1.00 0.00 C ATOM 1000 CG GLU A 66 -13.657 -19.197 2.376 1.00 0.00 C ATOM 1001 CD GLU A 66 -13.261 -20.112 3.519 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -13.771 -19.913 4.641 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -12.442 -21.026 3.290 1.00 0.00 O ATOM 0 H GLU A 66 -12.326 -15.480 2.831 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.139 -17.987 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.381 -17.528 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.957 -17.098 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.734 -19.258 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.184 -19.544 1.457 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.094 -16.967 -0.170 1.00 0.00 N ATOM 1011 CA ASP A 67 -11.957 -17.225 -1.598 1.00 0.00 C ATOM 1012 C ASP A 67 -10.654 -16.640 -2.134 1.00 0.00 C ATOM 1013 O ASP A 67 -10.496 -16.449 -3.340 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.145 -16.639 -2.362 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.476 -17.141 -1.836 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -14.505 -18.246 -1.256 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.488 -16.429 -2.005 1.00 0.00 O ATOM 0 H ASP A 67 -12.575 -16.096 0.056 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.938 -18.305 -1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.117 -15.552 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.056 -16.894 -3.418 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.723 -16.356 -1.229 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.433 -15.792 -1.610 1.00 0.00 C ATOM 1024 C ASP A 68 -8.610 -14.425 -2.264 1.00 0.00 C ATOM 1025 O ASP A 68 -7.812 -14.023 -3.111 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.701 -16.737 -2.563 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.011 -17.874 -1.835 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -7.704 -18.626 -1.119 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -5.778 -18.011 -1.981 1.00 0.00 O ATOM 0 H ASP A 68 -9.838 -16.507 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.837 -15.668 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.412 -17.147 -3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.962 -16.173 -3.133 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.660 -13.716 -1.866 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.943 -12.394 -2.413 1.00 0.00 C ATOM 1036 C LYS A 69 -9.149 -11.319 -1.676 1.00 0.00 C ATOM 1037 O LYS A 69 -8.971 -11.389 -0.460 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.440 -12.090 -2.320 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.310 -13.086 -3.066 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.454 -12.713 -4.532 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.780 -13.927 -5.388 1.00 0.00 C ATOM 1042 NZ LYS A 69 -11.588 -14.795 -5.596 1.00 0.00 N ATOM 0 H LYS A 69 -10.330 -14.035 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.642 -12.390 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.735 -12.077 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.625 -11.091 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.876 -14.082 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.295 -13.129 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.241 -11.967 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.529 -12.256 -4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.572 -14.505 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.163 -13.598 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.792 -15.492 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.778 -14.209 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.361 -15.290 -4.710 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.675 -10.326 -2.420 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.900 -9.236 -1.838 1.00 0.00 C ATOM 1058 C PHE A 70 -8.819 -8.182 -1.226 1.00 0.00 C ATOM 1059 O PHE A 70 -9.663 -7.604 -1.911 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.005 -8.594 -2.899 1.00 0.00 C ATOM 1061 CG PHE A 70 -5.802 -9.423 -3.249 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -4.839 -9.707 -2.295 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -5.634 -9.917 -4.533 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -3.730 -10.469 -2.615 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -4.528 -10.680 -4.858 1.00 0.00 C ATOM 1066 CZ PHE A 70 -3.576 -10.956 -3.898 1.00 0.00 C ATOM 0 H PHE A 70 -8.814 -10.253 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.274 -9.651 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.592 -8.420 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.673 -7.619 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.955 -9.329 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.376 -9.703 -5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.985 -10.683 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.409 -11.060 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.711 -11.552 -4.150 1.00 0.00 H new ATOM 1076 N THR A 71 -8.649 -7.937 0.069 1.00 0.00 N ATOM 1077 CA THR A 71 -9.462 -6.956 0.775 1.00 0.00 C ATOM 1078 C THR A 71 -8.647 -6.228 1.838 1.00 0.00 C ATOM 1079 O THR A 71 -8.136 -6.845 2.773 1.00 0.00 O ATOM 1080 CB THR A 71 -10.684 -7.614 1.443 1.00 0.00 C ATOM 1081 OG1 THR A 71 -10.255 -8.634 2.352 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.613 -8.215 0.399 1.00 0.00 C ATOM 0 H THR A 71 -7.954 -8.405 0.651 1.00 0.00 H new ATOM 0 HA THR A 71 -9.807 -6.238 0.031 1.00 0.00 H new ATOM 0 HB THR A 71 -11.229 -6.845 1.991 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.740 -9.465 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.469 -8.674 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.961 -7.431 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.076 -8.972 -0.173 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.529 -4.912 1.689 1.00 0.00 N ATOM 1091 CA VAL A 72 -7.777 -4.100 2.638 1.00 0.00 C ATOM 1092 C VAL A 72 -8.491 -4.023 3.983 1.00 0.00 C ATOM 1093 O VAL A 72 -9.499 -3.331 4.121 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.556 -2.672 2.104 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -6.580 -1.915 2.990 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.063 -2.713 0.665 1.00 0.00 C ATOM 0 H VAL A 72 -8.945 -4.386 0.920 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.809 -4.584 2.771 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.509 -2.144 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.437 -0.909 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.979 -1.855 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.624 -2.437 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.912 -1.696 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.120 -3.258 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.803 -3.214 0.041 1.00 0.00 H new ATOM 1106 N GLN A 73 -7.961 -4.738 4.970 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.549 -4.750 6.304 1.00 0.00 C ATOM 1108 C GLN A 73 -8.318 -3.420 7.014 1.00 0.00 C ATOM 1109 O GLN A 73 -7.390 -3.284 7.811 1.00 0.00 O ATOM 1110 CB GLN A 73 -7.961 -5.893 7.133 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.507 -5.961 8.550 1.00 0.00 C ATOM 1112 CD GLN A 73 -9.908 -6.537 8.609 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -10.804 -6.095 7.888 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -10.105 -7.529 9.469 1.00 0.00 N ATOM 0 H GLN A 73 -7.126 -5.316 4.871 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.623 -4.902 6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.164 -6.838 6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.878 -5.780 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.842 -6.570 9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.511 -4.960 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.334 -7.864 10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.027 -7.956 9.552 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.166 -2.441 6.717 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.055 -1.122 7.327 1.00 0.00 C ATOM 1125 C ALA A 74 -10.048 -0.962 8.473 1.00 0.00 C ATOM 1126 O ALA A 74 -9.682 -0.540 9.570 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.271 -0.037 6.283 1.00 0.00 C ATOM 0 H ALA A 74 -9.938 -2.537 6.057 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.049 -1.022 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.185 0.943 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.519 -0.131 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.264 -0.144 5.847 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.853 -5.573 0.442 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.452 -5.735 -0.950 1.00 0.00 C ATOM 1212 C ARG A 81 -15.195 -6.594 -1.057 1.00 0.00 C ATOM 1213 O ARG A 81 -14.420 -6.700 -0.107 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.205 -4.369 -1.594 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.449 -3.756 -2.216 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.095 -2.621 -3.164 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.283 -2.019 -3.764 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.125 -1.236 -3.099 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -18.911 -0.962 -1.820 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.184 -0.725 -3.715 1.00 0.00 N ATOM 0 HA ARG A 81 -17.261 -6.238 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.812 -3.687 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.438 -4.472 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.003 -4.524 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.105 -3.383 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.536 -1.858 -2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.442 -2.997 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.476 -2.210 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.098 -1.353 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.559 -0.360 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.351 -0.934 -4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.830 -0.124 -3.204 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.001 -7.207 -2.220 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.840 -8.058 -2.452 1.00 0.00 C ATOM 1236 C PHE A 82 -13.474 -8.089 -3.933 1.00 0.00 C ATOM 1237 O PHE A 82 -14.348 -8.071 -4.800 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.116 -9.479 -1.954 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.939 -9.525 -0.698 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.296 -9.248 -0.733 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -14.355 -9.845 0.517 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -17.055 -9.289 0.421 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -15.110 -9.888 1.674 1.00 0.00 C ATOM 1244 CZ PHE A 82 -16.462 -9.610 1.626 1.00 0.00 C ATOM 0 H PHE A 82 -15.633 -7.130 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.999 -7.642 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.631 -10.036 -2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.167 -9.984 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.766 -8.997 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.298 -10.063 0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.112 -9.070 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.643 -10.139 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.054 -9.644 2.529 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.176 -8.133 -4.215 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.693 -8.164 -5.590 1.00 0.00 C ATOM 1256 C PHE A 83 -10.653 -9.265 -5.777 1.00 0.00 C ATOM 1257 O PHE A 83 -9.699 -9.371 -5.006 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.094 -6.810 -5.973 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.741 -5.649 -5.275 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.645 -5.509 -3.900 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.447 -4.697 -5.993 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.239 -4.441 -3.254 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.043 -3.627 -5.353 1.00 0.00 C ATOM 1264 CZ PHE A 83 -12.940 -3.499 -3.981 1.00 0.00 C ATOM 0 H PHE A 83 -11.440 -8.148 -3.509 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.541 -8.376 -6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.029 -6.815 -5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.186 -6.673 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.099 -6.243 -3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.532 -4.792 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.155 -4.343 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.589 -2.891 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.406 -2.665 -3.479 1.00 0.00 H new ATOM 1274 N THR A 84 -10.845 -10.084 -6.806 1.00 0.00 N ATOM 1275 CA THR A 84 -9.925 -11.178 -7.094 1.00 0.00 C ATOM 1276 C THR A 84 -8.600 -10.654 -7.636 1.00 0.00 C ATOM 1277 O THR A 84 -7.546 -11.247 -7.408 1.00 0.00 O ATOM 1278 CB THR A 84 -10.528 -12.165 -8.111 1.00 0.00 C ATOM 1279 OG1 THR A 84 -9.541 -13.124 -8.507 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.049 -11.430 -9.336 1.00 0.00 C ATOM 0 H THR A 84 -11.629 -10.011 -7.454 1.00 0.00 H new ATOM 0 HA THR A 84 -9.749 -11.699 -6.153 1.00 0.00 H new ATOM 0 HB THR A 84 -11.363 -12.679 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.933 -13.749 -9.152 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.470 -12.148 -10.040 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.821 -10.722 -9.035 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.230 -10.892 -9.813 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.660 -9.538 -8.355 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.464 -8.932 -8.929 1.00 0.00 C ATOM 1290 C LYS A 85 -6.988 -7.759 -8.078 1.00 0.00 C ATOM 1291 O LYS A 85 -7.719 -6.789 -7.873 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.742 -8.459 -10.357 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.580 -9.434 -11.168 1.00 0.00 C ATOM 1294 CD LYS A 85 -7.835 -10.734 -11.419 1.00 0.00 C ATOM 1295 CE LYS A 85 -6.937 -10.634 -12.642 1.00 0.00 C ATOM 1296 NZ LYS A 85 -5.648 -9.956 -12.330 1.00 0.00 N ATOM 0 H LYS A 85 -9.525 -9.035 -8.554 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.678 -9.687 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.253 -7.497 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.793 -8.296 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.510 -9.643 -10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.850 -8.978 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.234 -10.985 -10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.551 -11.544 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.737 -11.633 -13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.455 -10.085 -13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.877 -10.418 -12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.706 -8.956 -12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.460 -10.021 -11.309 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.757 -7.852 -7.587 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.181 -6.797 -6.759 1.00 0.00 C ATOM 1312 C LEU A 86 -5.459 -5.422 -7.359 1.00 0.00 C ATOM 1313 O LEU A 86 -5.701 -4.456 -6.635 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.673 -7.006 -6.609 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.053 -6.501 -5.306 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.300 -5.010 -5.139 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.608 -7.272 -4.117 1.00 0.00 C ATOM 0 H LEU A 86 -5.138 -8.647 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.648 -6.845 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.463 -8.072 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.173 -6.511 -7.442 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.977 -6.667 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.851 -4.669 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.853 -4.471 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.373 -4.819 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.155 -6.899 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.689 -7.139 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.378 -8.331 -4.231 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.424 -5.343 -8.684 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.676 -4.087 -9.381 1.00 0.00 C ATOM 1331 C ASP A 87 -7.129 -3.653 -9.213 1.00 0.00 C ATOM 1332 O ASP A 87 -7.406 -2.543 -8.761 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.341 -4.228 -10.867 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.529 -4.693 -11.686 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -6.841 -5.902 -11.647 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -7.149 -3.848 -12.366 1.00 0.00 O ATOM 0 H ASP A 87 -5.224 -6.133 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.035 -3.322 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.992 -3.269 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.521 -4.937 -10.986 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.051 -4.536 -9.582 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.475 -4.243 -9.473 1.00 0.00 C ATOM 1343 C GLN A 88 -9.786 -3.535 -8.158 1.00 0.00 C ATOM 1344 O GLN A 88 -10.548 -2.568 -8.127 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.292 -5.532 -9.577 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.262 -6.161 -10.961 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.364 -5.641 -11.862 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -11.109 -5.207 -12.986 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -12.598 -5.681 -11.373 1.00 0.00 N ATOM 0 H GLN A 88 -7.838 -5.460 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.748 -3.581 -10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.913 -6.252 -8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.326 -5.320 -9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.295 -5.964 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.355 -7.243 -10.866 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.764 -6.049 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.380 -5.344 -11.934 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.193 -4.023 -7.075 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.407 -3.436 -5.756 1.00 0.00 C ATOM 1360 C LEU A 89 -8.961 -1.978 -5.730 1.00 0.00 C ATOM 1361 O LEU A 89 -9.715 -1.096 -5.315 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.647 -4.232 -4.693 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.644 -3.638 -3.284 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.540 -4.738 -2.240 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.503 -2.643 -3.129 1.00 0.00 C ATOM 0 H LEU A 89 -8.560 -4.823 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.474 -3.474 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.075 -5.233 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.613 -4.343 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.585 -3.110 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.539 -4.295 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.390 -5.413 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.615 -5.296 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.515 -2.230 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.553 -3.149 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.622 -1.837 -3.853 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.735 -1.731 -6.176 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.191 -0.379 -6.207 1.00 0.00 C ATOM 1379 C ILE A 90 -7.983 0.511 -7.160 1.00 0.00 C ATOM 1380 O ILE A 90 -8.613 1.480 -6.739 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.711 -0.377 -6.632 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.920 -1.396 -5.810 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.116 1.015 -6.474 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.957 -1.131 -4.321 1.00 0.00 C ATOM 0 H ILE A 90 -7.099 -2.450 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.270 0.016 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.650 -0.660 -7.683 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.316 -2.393 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.883 -1.395 -6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.069 1.000 -6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.666 1.719 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.186 1.324 -5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.375 -1.892 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.533 -0.148 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.989 -1.162 -3.972 1.00 0.00 H new ATOM 1396 N GLU A 91 -7.947 0.172 -8.445 1.00 0.00 N ATOM 1397 CA GLU A 91 -8.662 0.940 -9.457 1.00 0.00 C ATOM 1398 C GLU A 91 -9.964 1.503 -8.893 1.00 0.00 C ATOM 1399 O GLU A 91 -10.383 2.604 -9.251 1.00 0.00 O ATOM 1400 CB GLU A 91 -8.958 0.066 -10.678 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.930 0.827 -11.992 1.00 0.00 C ATOM 1402 CD GLU A 91 -10.265 1.463 -12.327 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -11.235 0.714 -12.566 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -10.340 2.710 -12.349 1.00 0.00 O ATOM 0 H GLU A 91 -7.431 -0.629 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.027 1.773 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.229 -0.743 -10.721 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.938 -0.395 -10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.165 1.602 -11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.644 0.148 -12.795 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.599 0.739 -8.011 1.00 0.00 N ATOM 1412 CA PHE A 92 -11.854 1.160 -7.398 1.00 0.00 C ATOM 1413 C PHE A 92 -11.619 2.291 -6.400 1.00 0.00 C ATOM 1414 O PHE A 92 -12.270 3.334 -6.464 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.525 -0.023 -6.697 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.580 0.386 -5.709 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -14.835 0.786 -6.141 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -13.317 0.372 -4.349 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -15.808 1.163 -5.235 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -14.286 0.747 -3.438 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.533 1.144 -3.881 1.00 0.00 C ATOM 0 H PHE A 92 -10.266 -0.175 -7.704 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.511 1.526 -8.187 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.974 -0.673 -7.448 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.764 -0.609 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.055 0.803 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.343 0.064 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.782 1.472 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.069 0.730 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.291 1.439 -3.171 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.687 2.075 -5.480 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.368 3.074 -4.466 1.00 0.00 C ATOM 1433 C TYR A 93 -10.023 4.413 -5.110 1.00 0.00 C ATOM 1434 O TYR A 93 -10.481 5.466 -4.666 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.201 2.597 -3.599 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.630 1.768 -2.409 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.033 2.374 -1.226 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.631 0.380 -2.468 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.425 1.622 -0.135 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.023 -0.380 -1.383 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.419 0.245 -0.219 1.00 0.00 C ATOM 1442 OH TYR A 93 -10.809 -0.509 0.864 1.00 0.00 O ATOM 0 H TYR A 93 -10.139 1.217 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.248 3.210 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.519 2.009 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.644 3.464 -3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.040 3.452 -1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.320 -0.113 -3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.734 2.109 0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.019 -1.458 -1.446 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.748 -1.461 0.639 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.212 4.365 -6.162 1.00 0.00 N ATOM 1453 CA LYS A 94 -8.806 5.572 -6.871 1.00 0.00 C ATOM 1454 C LYS A 94 -9.941 6.590 -6.908 1.00 0.00 C ATOM 1455 O LYS A 94 -9.707 7.798 -6.884 1.00 0.00 O ATOM 1456 CB LYS A 94 -8.368 5.228 -8.297 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.139 4.337 -8.358 1.00 0.00 C ATOM 1458 CD LYS A 94 -6.783 3.976 -9.790 1.00 0.00 C ATOM 1459 CE LYS A 94 -5.848 2.778 -9.846 1.00 0.00 C ATOM 1460 NZ LYS A 94 -4.419 3.185 -9.744 1.00 0.00 N ATOM 0 H LYS A 94 -8.823 3.502 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.965 6.012 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.191 4.733 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.164 6.152 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.296 4.845 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.320 3.427 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.693 3.755 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.311 4.830 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.089 2.091 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.006 2.237 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.867 2.412 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.049 3.394 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.341 4.033 -9.147 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.173 6.094 -6.965 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.346 6.959 -7.002 1.00 0.00 C ATOM 1476 C LYS A 95 -12.347 7.925 -5.822 1.00 0.00 C ATOM 1477 O LYS A 95 -11.909 7.579 -4.725 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.625 6.119 -6.989 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.774 6.749 -7.758 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.545 7.737 -6.898 1.00 0.00 C ATOM 1481 CE LYS A 95 -16.989 7.865 -7.355 1.00 0.00 C ATOM 1482 NZ LYS A 95 -17.857 8.447 -6.295 1.00 0.00 N ATOM 0 H LYS A 95 -11.385 5.096 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.310 7.540 -7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.410 5.138 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -13.934 5.959 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -14.387 7.258 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.448 5.969 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.519 7.413 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.061 8.713 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.034 8.492 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.369 6.883 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.833 8.518 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.835 7.836 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.510 9.395 -6.044 1.00 0.00 H new ATOM 1549 N LEU A 100 -10.461 5.640 2.321 1.00 0.00 N ATOM 1550 CA LEU A 100 -9.105 5.679 2.858 1.00 0.00 C ATOM 1551 C LEU A 100 -8.685 7.112 3.171 1.00 0.00 C ATOM 1552 O LEU A 100 -9.470 8.047 3.019 1.00 0.00 O ATOM 1553 CB LEU A 100 -8.124 5.053 1.865 1.00 0.00 C ATOM 1554 CG LEU A 100 -8.172 3.529 1.745 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -7.425 3.068 0.503 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.592 2.878 2.992 1.00 0.00 C ATOM 0 HA LEU A 100 -9.090 5.105 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.312 5.481 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.113 5.343 2.151 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.214 3.223 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.470 1.981 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.885 3.507 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.384 3.385 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.634 1.794 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.555 3.191 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.171 3.183 3.864 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.440 7.276 3.606 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.913 8.594 3.937 1.00 0.00 C ATOM 1570 C VAL A 101 -7.246 9.608 2.849 1.00 0.00 C ATOM 1571 O VAL A 101 -7.585 10.757 3.136 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.387 8.555 4.137 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.715 7.826 2.984 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.832 9.964 4.283 1.00 0.00 C ATOM 0 H VAL A 101 -6.777 6.512 3.737 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.386 8.898 4.871 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.173 8.008 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.637 7.809 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.090 6.804 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.935 8.342 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.752 9.917 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.056 10.538 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.289 10.448 5.146 1.00 0.00 H new ATOM 1584 N THR A 102 -7.149 9.176 1.595 1.00 0.00 N ATOM 1585 CA THR A 102 -7.439 10.045 0.462 1.00 0.00 C ATOM 1586 C THR A 102 -7.503 9.251 -0.838 1.00 0.00 C ATOM 1587 O THR A 102 -6.778 8.272 -1.016 1.00 0.00 O ATOM 1588 CB THR A 102 -6.380 11.155 0.320 1.00 0.00 C ATOM 1589 OG1 THR A 102 -6.808 12.119 -0.648 1.00 0.00 O ATOM 1590 CG2 THR A 102 -5.038 10.573 -0.096 1.00 0.00 C ATOM 0 H THR A 102 -6.871 8.228 1.339 1.00 0.00 H new ATOM 0 HA THR A 102 -8.410 10.501 0.654 1.00 0.00 H new ATOM 0 HB THR A 102 -6.263 11.641 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.130 12.822 -0.731 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.307 11.376 -0.190 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.701 9.861 0.657 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.143 10.064 -1.054 1.00 0.00 H new ATOM 1598 N HIS A 103 -8.376 9.680 -1.744 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.534 9.009 -3.030 1.00 0.00 C ATOM 1600 C HIS A 103 -7.206 8.947 -3.778 1.00 0.00 C ATOM 1601 O HIS A 103 -6.533 9.964 -3.954 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.579 9.731 -3.881 1.00 0.00 C ATOM 1603 CG HIS A 103 -9.117 11.058 -4.398 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -9.080 12.275 -3.806 1.00 0.00 N flip ATOM 1605 CD2 HIS A 103 -8.620 11.238 -5.671 1.00 0.00 C flip ATOM 1606 CE1 HIS A 103 -8.566 13.159 -4.723 1.00 0.00 C flip ATOM 1607 NE2 HIS A 103 -8.296 12.508 -5.840 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.984 10.488 -1.612 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.872 7.990 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.850 9.096 -4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.482 9.876 -3.288 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -9.378 12.495 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.512 10.462 -6.414 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.408 14.215 -4.558 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.833 7.749 -4.215 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.585 7.555 -4.943 1.00 0.00 C ATOM 1618 C LEU A 104 -5.554 8.407 -6.208 1.00 0.00 C ATOM 1619 O LEU A 104 -6.556 8.524 -6.913 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.406 6.080 -5.304 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.848 5.071 -4.244 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.494 3.655 -4.672 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -5.214 5.398 -2.900 1.00 0.00 C ATOM 0 H LEU A 104 -7.378 6.898 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.764 7.867 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.962 5.881 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.353 5.906 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.931 5.136 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.817 2.952 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.996 3.423 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.415 3.575 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.540 4.670 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.128 5.362 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.519 6.397 -2.587 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.397 8.998 -6.490 1.00 0.00 N ATOM 1636 CA GLN A 105 -4.236 9.837 -7.671 1.00 0.00 C ATOM 1637 C GLN A 105 -2.947 9.495 -8.411 1.00 0.00 C ATOM 1638 O GLN A 105 -2.977 9.079 -9.570 1.00 0.00 O ATOM 1639 CB GLN A 105 -4.234 11.315 -7.276 1.00 0.00 C ATOM 1640 CG GLN A 105 -5.562 11.796 -6.714 1.00 0.00 C ATOM 1641 CD GLN A 105 -5.414 13.023 -5.835 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -5.532 12.831 -4.526 1.00 0.00 O flip ATOM 1643 NE2 GLN A 105 -5.196 14.130 -6.327 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.558 8.911 -5.917 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.077 9.647 -8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.453 11.483 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.980 11.916 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.240 12.023 -7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.020 10.993 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.113 14.231 -7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.099 14.946 -5.723 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.818 9.672 -7.735 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.518 9.385 -8.329 1.00 0.00 C ATOM 1654 C TYR A 106 0.056 8.082 -7.781 1.00 0.00 C ATOM 1655 O TYR A 106 0.674 8.045 -6.717 1.00 0.00 O ATOM 1656 CB TYR A 106 0.454 10.535 -8.062 1.00 0.00 C ATOM 1657 CG TYR A 106 -0.205 11.896 -8.053 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -1.291 12.169 -8.876 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.257 12.908 -7.220 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.896 13.411 -8.871 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.343 14.152 -7.208 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.419 14.399 -8.036 1.00 0.00 C ATOM 1663 OH TYR A 106 -2.020 15.637 -8.027 1.00 0.00 O ATOM 0 H TYR A 106 -1.777 10.013 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.655 9.277 -9.405 1.00 0.00 H new ATOM 0 HB2 TYR A 106 0.943 10.371 -7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.235 10.524 -8.823 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.668 11.397 -9.531 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.099 12.719 -6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.738 13.607 -9.518 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.028 14.927 -6.554 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.564 16.217 -7.383 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.154 6.986 -8.525 1.00 0.00 N ATOM 1674 CA PRO A 107 0.335 5.659 -8.135 1.00 0.00 C ATOM 1675 C PRO A 107 1.853 5.551 -8.227 1.00 0.00 C ATOM 1676 O PRO A 107 2.395 5.129 -9.248 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.330 4.725 -9.149 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.593 5.581 -10.339 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.883 6.956 -9.804 1.00 0.00 C ATOM 0 HA PRO A 107 0.096 5.425 -7.098 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.320 3.887 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.254 4.304 -8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.268 5.596 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.437 5.200 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.534 7.733 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.952 7.114 -9.661 1.00 0.00 H new ATOM 1687 N VAL A 108 2.535 5.934 -7.152 1.00 0.00 N ATOM 1688 CA VAL A 108 3.991 5.879 -7.111 1.00 0.00 C ATOM 1689 C VAL A 108 4.516 4.659 -7.860 1.00 0.00 C ATOM 1690 O VAL A 108 4.545 3.544 -7.338 1.00 0.00 O ATOM 1691 CB VAL A 108 4.511 5.840 -5.661 1.00 0.00 C ATOM 1692 CG1 VAL A 108 6.023 5.996 -5.632 1.00 0.00 C ATOM 1693 CG2 VAL A 108 3.838 6.919 -4.826 1.00 0.00 C ATOM 0 H VAL A 108 2.102 6.286 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 108 4.356 6.785 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 108 4.262 4.871 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.372 5.966 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.483 5.184 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.299 6.950 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.216 6.878 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.054 7.898 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.760 6.756 -4.820 1.00 0.00 H new ATOM 1703 N PRO A 109 4.942 4.873 -9.114 1.00 0.00 N ATOM 1704 CA PRO A 109 5.475 3.803 -9.962 1.00 0.00 C ATOM 1705 C PRO A 109 6.833 3.304 -9.481 1.00 0.00 C ATOM 1706 O PRO A 109 7.396 3.833 -8.522 1.00 0.00 O ATOM 1707 CB PRO A 109 5.605 4.469 -11.334 1.00 0.00 C ATOM 1708 CG PRO A 109 5.752 5.921 -11.037 1.00 0.00 C ATOM 1709 CD PRO A 109 4.936 6.176 -9.800 1.00 0.00 C ATOM 0 HA PRO A 109 4.832 2.923 -9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.468 4.087 -11.879 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.727 4.278 -11.952 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.798 6.182 -10.875 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.397 6.528 -11.870 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.377 6.958 -9.182 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.923 6.497 -10.045 1.00 0.00 H new ATOM 1717 N LEU A 110 7.355 2.284 -10.153 1.00 0.00 N ATOM 1718 CA LEU A 110 8.649 1.713 -9.795 1.00 0.00 C ATOM 1719 C LEU A 110 9.774 2.713 -10.048 1.00 0.00 C ATOM 1720 O LEU A 110 9.572 3.735 -10.702 1.00 0.00 O ATOM 1721 CB LEU A 110 8.902 0.432 -10.590 1.00 0.00 C ATOM 1722 CG LEU A 110 7.750 -0.574 -10.627 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.105 -1.760 -11.509 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.402 -1.038 -9.220 1.00 0.00 C ATOM 0 H LEU A 110 6.902 1.835 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 110 8.631 1.475 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.150 0.707 -11.615 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.778 -0.064 -10.172 1.00 0.00 H new ATOM 0 HG LEU A 110 6.876 -0.081 -11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.274 -2.465 -11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.304 -1.413 -12.523 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.993 -2.254 -11.114 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.581 -1.753 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.272 -1.513 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.103 -0.180 -8.617 1.00 0.00 H new