USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.712 (180deg=-0.399!) USER MOD Single : A 2 SER OG : rot 99:sc= 0.601 USER MOD Single : A 4 THR OG1 : rot 61:sc= 0.389 USER MOD Single : A 11 SER OG : rot -164:sc= 1.21 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 24 ASN : amide:sc= -0.075 K(o=-0.075,f=-6.4!) USER MOD Single : A 37 THR OG1 : rot 89:sc= 0.751 USER MOD Single : A 48 THR OG1 : rot 85:sc= 1.14 USER MOD Single : A 50 MET CE :methyl 161:sc= -0.449 (180deg=-1.11) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0.463) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 2.22 (180deg=2.19) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -168:sc= 0 (180deg=-0.172) USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 2.05 (180deg=1.23) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 0.216 (180deg=-1.03!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 149:sc= -0.338 (180deg=-1.59!) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= -0.242 (180deg=-0.637) USER MOD Single : A 94 LYS NZ :NH3+ -115:sc= 0.948 (180deg=-1.14) USER MOD Single : A 109 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0749) USER MOD Single : A 112 LYS NZ :NH3+ 153:sc= -0.432! (180deg=-1.05!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.697 5.757 1.760 1.00 10.51 N ATOM 2 CA GLY A 1 18.174 7.090 1.340 1.00 10.98 C ATOM 3 C GLY A 1 17.544 8.140 2.229 1.00 10.15 C ATOM 4 O GLY A 1 18.240 8.715 3.054 1.00 10.48 O ATOM 0 H1 GLY A 1 18.505 5.106 1.833 1.00 10.51 H new ATOM 0 H2 GLY A 1 17.228 5.832 2.685 1.00 10.51 H new ATOM 0 H3 GLY A 1 17.022 5.393 1.058 1.00 10.51 H new ATOM 0 HA2 GLY A 1 19.261 7.140 1.409 1.00 10.98 H new ATOM 0 HA3 GLY A 1 17.912 7.273 0.298 1.00 10.98 H new ATOM 10 N SER A 2 16.226 8.301 2.141 1.00 9.41 N ATOM 11 CA SER A 2 15.407 8.369 3.360 1.00 8.27 C ATOM 12 C SER A 2 15.236 6.929 3.901 1.00 6.75 C ATOM 13 O SER A 2 16.262 6.283 4.126 1.00 6.86 O ATOM 14 CB SER A 2 14.096 9.135 3.093 1.00 8.74 C ATOM 15 OG SER A 2 14.269 10.533 3.255 1.00 9.85 O ATOM 0 H SER A 2 15.708 8.385 1.266 1.00 9.41 H new ATOM 0 HA SER A 2 15.893 8.947 4.146 1.00 8.27 H new ATOM 0 HB2 SER A 2 13.750 8.925 2.081 1.00 8.74 H new ATOM 0 HB3 SER A 2 13.322 8.782 3.774 1.00 8.74 H new ATOM 0 HG SER A 2 14.399 10.950 2.378 1.00 9.85 H new ATOM 21 N PHE A 3 14.018 6.399 4.088 1.00 5.77 N ATOM 22 CA PHE A 3 13.788 5.004 4.493 1.00 4.63 C ATOM 23 C PHE A 3 12.392 4.501 4.073 1.00 3.85 C ATOM 24 O PHE A 3 11.539 5.306 3.680 1.00 4.21 O ATOM 25 CB PHE A 3 14.024 4.841 6.010 1.00 4.73 C ATOM 26 CG PHE A 3 14.978 3.722 6.375 1.00 5.55 C ATOM 27 CD1 PHE A 3 16.366 3.964 6.390 1.00 6.67 C ATOM 28 CD2 PHE A 3 14.488 2.446 6.712 1.00 5.93 C ATOM 29 CE1 PHE A 3 17.258 2.935 6.728 1.00 7.87 C ATOM 30 CE2 PHE A 3 15.383 1.414 7.050 1.00 7.30 C ATOM 31 CZ PHE A 3 16.768 1.657 7.057 1.00 8.16 C ATOM 0 H PHE A 3 13.157 6.931 3.961 1.00 5.77 H new ATOM 0 HA PHE A 3 14.509 4.379 3.967 1.00 4.63 H new ATOM 0 HB2 PHE A 3 14.412 5.778 6.408 1.00 4.73 H new ATOM 0 HB3 PHE A 3 13.066 4.660 6.498 1.00 4.73 H new ATOM 0 HD1 PHE A 3 16.744 4.944 6.141 1.00 6.67 H new ATOM 0 HD2 PHE A 3 13.424 2.259 6.711 1.00 5.93 H new ATOM 0 HE1 PHE A 3 18.321 3.124 6.736 1.00 7.87 H new ATOM 0 HE2 PHE A 3 15.006 0.434 7.304 1.00 7.30 H new ATOM 0 HZ PHE A 3 17.455 0.864 7.314 1.00 8.16 H new ATOM 41 N THR A 4 12.178 3.179 4.157 1.00 3.29 N ATOM 42 CA THR A 4 10.961 2.473 3.713 1.00 3.00 C ATOM 43 C THR A 4 10.390 1.575 4.813 1.00 2.01 C ATOM 44 O THR A 4 10.334 0.355 4.662 1.00 2.49 O ATOM 45 CB THR A 4 11.232 1.661 2.435 1.00 4.16 C ATOM 46 OG1 THR A 4 12.221 0.698 2.702 1.00 4.52 O ATOM 47 CG2 THR A 4 11.715 2.522 1.274 1.00 5.46 C ATOM 0 H THR A 4 12.874 2.546 4.551 1.00 3.29 H new ATOM 0 HA THR A 4 10.212 3.232 3.488 1.00 3.00 H new ATOM 0 HB THR A 4 10.286 1.204 2.145 1.00 4.16 H new ATOM 0 HG1 THR A 4 11.906 0.092 3.405 1.00 4.52 H new ATOM 0 HG21 THR A 4 11.889 1.892 0.402 1.00 5.46 H new ATOM 0 HG22 THR A 4 10.959 3.270 1.037 1.00 5.46 H new ATOM 0 HG23 THR A 4 12.644 3.020 1.552 1.00 5.46 H new ATOM 55 N GLU A 5 9.989 2.146 5.945 1.00 1.34 N ATOM 56 CA GLU A 5 9.326 1.401 7.022 1.00 1.11 C ATOM 57 C GLU A 5 7.833 1.168 6.715 1.00 1.02 C ATOM 58 O GLU A 5 7.050 2.109 6.564 1.00 1.36 O ATOM 59 CB GLU A 5 9.560 2.047 8.401 1.00 1.97 C ATOM 60 CG GLU A 5 9.279 3.553 8.539 1.00 3.08 C ATOM 61 CD GLU A 5 10.422 4.413 8.005 1.00 3.65 C ATOM 62 OE1 GLU A 5 11.350 4.731 8.780 1.00 4.10 O ATOM 63 OE2 GLU A 5 10.395 4.775 6.804 1.00 4.60 O ATOM 0 H GLU A 5 10.112 3.138 6.146 1.00 1.34 H new ATOM 0 HA GLU A 5 9.789 0.416 7.070 1.00 1.11 H new ATOM 0 HB2 GLU A 5 8.940 1.522 9.128 1.00 1.97 H new ATOM 0 HB3 GLU A 5 10.598 1.872 8.682 1.00 1.97 H new ATOM 0 HG2 GLU A 5 8.363 3.799 8.003 1.00 3.08 H new ATOM 0 HG3 GLU A 5 9.108 3.793 9.589 1.00 3.08 H new ATOM 70 N GLY A 6 7.417 -0.102 6.603 1.00 1.00 N ATOM 71 CA GLY A 6 6.028 -0.482 6.325 1.00 0.99 C ATOM 72 C GLY A 6 5.659 -1.887 6.783 1.00 0.93 C ATOM 73 O GLY A 6 6.542 -2.689 7.077 1.00 1.17 O ATOM 0 H GLY A 6 8.043 -0.901 6.704 1.00 1.00 H new ATOM 0 HA2 GLY A 6 5.364 0.232 6.812 1.00 0.99 H new ATOM 0 HA3 GLY A 6 5.850 -0.404 5.253 1.00 0.99 H new ATOM 77 N TRP A 7 4.360 -2.201 6.768 1.00 0.88 N ATOM 78 CA TRP A 7 3.820 -3.486 7.203 1.00 0.86 C ATOM 79 C TRP A 7 2.498 -3.856 6.492 1.00 0.69 C ATOM 80 O TRP A 7 1.913 -3.058 5.757 1.00 0.69 O ATOM 81 CB TRP A 7 3.689 -3.458 8.732 1.00 1.10 C ATOM 82 CG TRP A 7 2.595 -2.629 9.342 1.00 1.11 C ATOM 83 CD1 TRP A 7 1.489 -3.145 9.917 1.00 1.36 C ATOM 84 CD2 TRP A 7 2.531 -1.190 9.595 1.00 1.31 C ATOM 85 NE1 TRP A 7 0.806 -2.159 10.592 1.00 1.63 N ATOM 86 CE2 TRP A 7 1.373 -0.923 10.388 1.00 1.57 C ATOM 87 CE3 TRP A 7 3.356 -0.084 9.293 1.00 1.63 C ATOM 88 CZ2 TRP A 7 1.053 0.363 10.853 1.00 1.96 C ATOM 89 CZ3 TRP A 7 3.036 1.214 9.732 1.00 2.06 C ATOM 90 CH2 TRP A 7 1.887 1.439 10.513 1.00 2.16 C ATOM 0 H TRP A 7 3.642 -1.553 6.446 1.00 0.88 H new ATOM 0 HA TRP A 7 4.508 -4.281 6.915 1.00 0.86 H new ATOM 0 HB2 TRP A 7 3.556 -4.485 9.072 1.00 1.10 H new ATOM 0 HB3 TRP A 7 4.637 -3.108 9.140 1.00 1.10 H new ATOM 0 HD1 TRP A 7 1.184 -4.179 9.857 1.00 1.36 H new ATOM 0 HE1 TRP A 7 -0.017 -2.324 11.171 1.00 1.63 H new ATOM 0 HE3 TRP A 7 4.253 -0.238 8.712 1.00 1.63 H new ATOM 0 HZ2 TRP A 7 0.177 0.522 11.464 1.00 1.96 H new ATOM 0 HZ3 TRP A 7 3.676 2.043 9.468 1.00 2.06 H new ATOM 0 HH2 TRP A 7 1.648 2.437 10.850 1.00 2.16 H new ATOM 101 N VAL A 8 2.008 -5.079 6.711 1.00 0.71 N ATOM 102 CA VAL A 8 0.680 -5.523 6.237 1.00 0.75 C ATOM 103 C VAL A 8 -0.259 -5.671 7.444 1.00 0.87 C ATOM 104 O VAL A 8 0.174 -6.155 8.489 1.00 1.14 O ATOM 105 CB VAL A 8 0.759 -6.831 5.411 1.00 0.87 C ATOM 106 CG1 VAL A 8 -0.573 -7.120 4.696 1.00 1.09 C ATOM 107 CG2 VAL A 8 1.884 -6.790 4.357 1.00 0.89 C ATOM 0 H VAL A 8 2.518 -5.798 7.224 1.00 0.71 H new ATOM 0 HA VAL A 8 0.281 -4.767 5.561 1.00 0.75 H new ATOM 0 HB VAL A 8 0.976 -7.625 6.125 1.00 0.87 H new ATOM 0 HG11 VAL A 8 -0.486 -8.044 4.125 1.00 1.09 H new ATOM 0 HG12 VAL A 8 -1.368 -7.224 5.435 1.00 1.09 H new ATOM 0 HG13 VAL A 8 -0.810 -6.297 4.021 1.00 1.09 H new ATOM 0 HG21 VAL A 8 1.899 -7.729 3.804 1.00 0.89 H new ATOM 0 HG22 VAL A 8 1.706 -5.965 3.667 1.00 0.89 H new ATOM 0 HG23 VAL A 8 2.843 -6.646 4.854 1.00 0.89 H new ATOM 117 N ARG A 9 -1.523 -5.239 7.306 1.00 0.92 N ATOM 118 CA ARG A 9 -2.519 -5.172 8.396 1.00 1.07 C ATOM 119 C ARG A 9 -2.659 -6.496 9.168 1.00 1.21 C ATOM 120 O ARG A 9 -2.101 -6.622 10.255 1.00 2.34 O ATOM 121 CB ARG A 9 -3.892 -4.728 7.840 1.00 1.29 C ATOM 122 CG ARG A 9 -4.111 -3.214 7.772 1.00 1.84 C ATOM 123 CD ARG A 9 -4.407 -2.605 9.149 1.00 2.78 C ATOM 124 NE ARG A 9 -4.992 -1.253 9.029 1.00 3.55 N ATOM 125 CZ ARG A 9 -6.225 -0.877 9.361 1.00 3.99 C ATOM 126 NH1 ARG A 9 -7.077 -1.661 9.994 1.00 4.12 N ATOM 127 NH2 ARG A 9 -6.639 0.337 9.049 1.00 5.06 N ATOM 0 H ARG A 9 -1.893 -4.918 6.412 1.00 0.92 H new ATOM 0 HA ARG A 9 -2.154 -4.432 9.108 1.00 1.07 H new ATOM 0 HB2 ARG A 9 -4.011 -5.141 6.838 1.00 1.29 H new ATOM 0 HB3 ARG A 9 -4.675 -5.164 8.460 1.00 1.29 H new ATOM 0 HG2 ARG A 9 -3.225 -2.740 7.351 1.00 1.84 H new ATOM 0 HG3 ARG A 9 -4.939 -2.999 7.097 1.00 1.84 H new ATOM 0 HD2 ARG A 9 -5.094 -3.253 9.694 1.00 2.78 H new ATOM 0 HD3 ARG A 9 -3.487 -2.554 9.731 1.00 2.78 H new ATOM 0 HE ARG A 9 -4.383 -0.528 8.650 1.00 3.55 H new ATOM 0 HH11 ARG A 9 -6.802 -2.608 10.254 1.00 4.12 H new ATOM 0 HH12 ARG A 9 -8.010 -1.320 10.223 1.00 4.12 H new ATOM 0 HH21 ARG A 9 -6.016 0.978 8.558 1.00 5.06 H new ATOM 0 HH22 ARG A 9 -7.582 0.634 9.299 1.00 5.06 H new ATOM 141 N PHE A 10 -3.444 -7.417 8.593 1.00 0.77 N ATOM 142 CA PHE A 10 -4.153 -8.552 9.183 1.00 0.79 C ATOM 143 C PHE A 10 -5.303 -8.926 8.220 1.00 0.71 C ATOM 144 O PHE A 10 -5.782 -8.056 7.491 1.00 1.17 O ATOM 145 CB PHE A 10 -4.707 -8.188 10.572 1.00 1.22 C ATOM 146 CG PHE A 10 -5.419 -9.315 11.280 1.00 1.42 C ATOM 147 CD1 PHE A 10 -4.677 -10.230 12.043 1.00 1.85 C ATOM 148 CD2 PHE A 10 -6.815 -9.450 11.183 1.00 2.93 C ATOM 149 CE1 PHE A 10 -5.316 -11.294 12.700 1.00 2.06 C ATOM 150 CE2 PHE A 10 -7.460 -10.517 11.833 1.00 3.06 C ATOM 151 CZ PHE A 10 -6.710 -11.441 12.589 1.00 1.92 C ATOM 0 H PHE A 10 -3.614 -7.376 7.588 1.00 0.77 H new ATOM 0 HA PHE A 10 -3.476 -9.395 9.319 1.00 0.79 H new ATOM 0 HB2 PHE A 10 -3.884 -7.846 11.199 1.00 1.22 H new ATOM 0 HB3 PHE A 10 -5.396 -7.350 10.466 1.00 1.22 H new ATOM 0 HD1 PHE A 10 -3.606 -10.115 12.125 1.00 1.85 H new ATOM 0 HD2 PHE A 10 -7.390 -8.737 10.611 1.00 2.93 H new ATOM 0 HE1 PHE A 10 -4.741 -11.995 13.287 1.00 2.06 H new ATOM 0 HE2 PHE A 10 -8.531 -10.629 11.753 1.00 3.06 H new ATOM 0 HZ PHE A 10 -7.207 -12.263 13.083 1.00 1.92 H new ATOM 161 N SER A 11 -5.729 -10.194 8.225 1.00 0.84 N ATOM 162 CA SER A 11 -6.926 -10.785 7.583 1.00 0.88 C ATOM 163 C SER A 11 -6.676 -12.254 7.205 1.00 0.83 C ATOM 164 O SER A 11 -5.704 -12.522 6.495 1.00 0.98 O ATOM 165 CB SER A 11 -7.418 -10.065 6.314 1.00 1.18 C ATOM 166 OG SER A 11 -8.559 -10.717 5.785 1.00 2.14 O ATOM 0 H SER A 11 -5.198 -10.907 8.725 1.00 0.84 H new ATOM 0 HA SER A 11 -7.702 -10.679 8.341 1.00 0.88 H new ATOM 0 HB2 SER A 11 -7.660 -9.028 6.548 1.00 1.18 H new ATOM 0 HB3 SER A 11 -6.624 -10.047 5.568 1.00 1.18 H new ATOM 0 HG SER A 11 -8.705 -10.423 4.862 1.00 2.14 H new ATOM 172 N PRO A 12 -7.546 -13.212 7.579 1.00 0.93 N ATOM 173 CA PRO A 12 -7.414 -14.595 7.123 1.00 1.00 C ATOM 174 C PRO A 12 -7.702 -14.730 5.619 1.00 0.90 C ATOM 175 O PRO A 12 -7.062 -15.530 4.939 1.00 1.01 O ATOM 176 CB PRO A 12 -8.416 -15.386 7.965 1.00 1.23 C ATOM 177 CG PRO A 12 -9.509 -14.366 8.292 1.00 1.29 C ATOM 178 CD PRO A 12 -8.738 -13.051 8.406 1.00 1.14 C ATOM 0 HA PRO A 12 -6.397 -14.966 7.249 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -8.816 -16.237 7.414 1.00 1.23 H new ATOM 0 HB3 PRO A 12 -7.954 -15.780 8.870 1.00 1.23 H new ATOM 0 HG2 PRO A 12 -10.266 -14.322 7.509 1.00 1.29 H new ATOM 0 HG3 PRO A 12 -10.025 -14.612 9.220 1.00 1.29 H new ATOM 0 HD2 PRO A 12 -9.343 -12.213 8.060 1.00 1.14 H new ATOM 0 HD3 PRO A 12 -8.469 -12.844 9.442 1.00 1.14 H new ATOM 186 N GLY A 13 -8.660 -13.939 5.117 1.00 0.89 N ATOM 187 CA GLY A 13 -9.157 -13.940 3.739 1.00 0.90 C ATOM 188 C GLY A 13 -10.613 -13.465 3.652 1.00 0.93 C ATOM 189 O GLY A 13 -11.234 -13.247 4.693 1.00 0.97 O ATOM 0 H GLY A 13 -9.133 -13.244 5.695 1.00 0.89 H new ATOM 0 HA2 GLY A 13 -8.528 -13.294 3.126 1.00 0.90 H new ATOM 0 HA3 GLY A 13 -9.079 -14.946 3.326 1.00 0.90 H new ATOM 193 N PRO A 14 -11.175 -13.275 2.440 1.00 0.96 N ATOM 194 CA PRO A 14 -10.580 -13.545 1.126 1.00 0.97 C ATOM 195 C PRO A 14 -9.685 -12.403 0.606 1.00 0.87 C ATOM 196 O PRO A 14 -9.226 -12.458 -0.534 1.00 1.01 O ATOM 197 CB PRO A 14 -11.793 -13.748 0.209 1.00 1.12 C ATOM 198 CG PRO A 14 -12.806 -12.752 0.770 1.00 1.11 C ATOM 199 CD PRO A 14 -12.554 -12.832 2.276 1.00 1.06 C ATOM 0 HA PRO A 14 -9.912 -14.405 1.169 1.00 0.97 H new ATOM 0 HB2 PRO A 14 -11.553 -13.538 -0.833 1.00 1.12 H new ATOM 0 HB3 PRO A 14 -12.165 -14.772 0.250 1.00 1.12 H new ATOM 0 HG2 PRO A 14 -12.641 -11.746 0.384 1.00 1.11 H new ATOM 0 HG3 PRO A 14 -13.829 -13.028 0.515 1.00 1.11 H new ATOM 0 HD2 PRO A 14 -12.709 -11.862 2.748 1.00 1.06 H new ATOM 0 HD3 PRO A 14 -13.245 -13.530 2.749 1.00 1.06 H new ATOM 207 N ASN A 15 -9.448 -11.357 1.405 1.00 0.73 N ATOM 208 CA ASN A 15 -8.660 -10.191 1.024 1.00 0.61 C ATOM 209 C ASN A 15 -8.026 -9.457 2.218 1.00 0.54 C ATOM 210 O ASN A 15 -8.459 -9.576 3.363 1.00 0.74 O ATOM 211 CB ASN A 15 -9.520 -9.241 0.174 1.00 0.72 C ATOM 212 CG ASN A 15 -10.747 -8.649 0.868 1.00 1.09 C ATOM 213 OD1 ASN A 15 -11.136 -9.003 1.970 1.00 1.76 O ATOM 214 ND2 ASN A 15 -11.398 -7.706 0.213 1.00 1.54 N ATOM 0 H ASN A 15 -9.810 -11.301 2.357 1.00 0.73 H new ATOM 0 HA ASN A 15 -7.819 -10.552 0.431 1.00 0.61 H new ATOM 0 HB2 ASN A 15 -8.890 -8.421 -0.169 1.00 0.72 H new ATOM 0 HB3 ASN A 15 -9.853 -9.780 -0.713 1.00 0.72 H new ATOM 0 HD21 ASN A 15 -12.224 -7.275 0.627 1.00 1.54 H new ATOM 0 HD22 ASN A 15 -11.075 -7.409 -0.708 1.00 1.54 H new ATOM 221 N ALA A 16 -6.997 -8.669 1.914 1.00 0.42 N ATOM 222 CA ALA A 16 -6.167 -7.900 2.851 1.00 0.37 C ATOM 223 C ALA A 16 -5.763 -6.528 2.261 1.00 0.32 C ATOM 224 O ALA A 16 -6.156 -6.182 1.146 1.00 0.34 O ATOM 225 CB ALA A 16 -4.941 -8.752 3.220 1.00 0.42 C ATOM 0 H ALA A 16 -6.698 -8.539 0.947 1.00 0.42 H new ATOM 0 HA ALA A 16 -6.738 -7.679 3.753 1.00 0.37 H new ATOM 0 HB1 ALA A 16 -4.310 -8.199 3.916 1.00 0.42 H new ATOM 0 HB2 ALA A 16 -5.270 -9.680 3.687 1.00 0.42 H new ATOM 0 HB3 ALA A 16 -4.373 -8.981 2.319 1.00 0.42 H new ATOM 231 N ALA A 17 -4.962 -5.745 2.988 1.00 0.37 N ATOM 232 CA ALA A 17 -4.405 -4.464 2.534 1.00 0.42 C ATOM 233 C ALA A 17 -3.040 -4.193 3.203 1.00 0.43 C ATOM 234 O ALA A 17 -2.827 -4.585 4.353 1.00 0.73 O ATOM 235 CB ALA A 17 -5.419 -3.349 2.830 1.00 0.64 C ATOM 0 H ALA A 17 -4.674 -5.990 3.935 1.00 0.37 H new ATOM 0 HA ALA A 17 -4.226 -4.498 1.459 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -5.016 -2.393 2.497 1.00 0.64 H new ATOM 0 HB2 ALA A 17 -6.350 -3.554 2.302 1.00 0.64 H new ATOM 0 HB3 ALA A 17 -5.612 -3.308 3.902 1.00 0.64 H new ATOM 241 N ALA A 18 -2.129 -3.509 2.502 1.00 0.40 N ATOM 242 CA ALA A 18 -0.775 -3.183 2.939 1.00 0.41 C ATOM 243 C ALA A 18 -0.530 -1.663 2.934 1.00 0.39 C ATOM 244 O ALA A 18 -1.060 -0.927 2.097 1.00 0.42 O ATOM 245 CB ALA A 18 0.222 -3.922 2.035 1.00 0.50 C ATOM 0 H ALA A 18 -2.330 -3.152 1.568 1.00 0.40 H new ATOM 0 HA ALA A 18 -0.637 -3.510 3.970 1.00 0.41 H new ATOM 0 HB1 ALA A 18 1.240 -3.689 2.349 1.00 0.50 H new ATOM 0 HB2 ALA A 18 0.056 -4.996 2.112 1.00 0.50 H new ATOM 0 HB3 ALA A 18 0.079 -3.606 1.002 1.00 0.50 H new ATOM 251 N TYR A 19 0.272 -1.224 3.902 1.00 0.46 N ATOM 252 CA TYR A 19 0.444 0.164 4.340 1.00 0.56 C ATOM 253 C TYR A 19 1.912 0.412 4.738 1.00 0.88 C ATOM 254 O TYR A 19 2.462 -0.279 5.596 1.00 1.23 O ATOM 255 CB TYR A 19 -0.475 0.401 5.550 1.00 0.82 C ATOM 256 CG TYR A 19 -1.969 0.345 5.281 1.00 1.04 C ATOM 257 CD1 TYR A 19 -2.677 -0.867 5.375 1.00 1.94 C ATOM 258 CD2 TYR A 19 -2.676 1.531 5.009 1.00 2.40 C ATOM 259 CE1 TYR A 19 -4.080 -0.887 5.234 1.00 2.07 C ATOM 260 CE2 TYR A 19 -4.084 1.538 4.965 1.00 2.69 C ATOM 261 CZ TYR A 19 -4.791 0.321 5.055 1.00 1.76 C ATOM 262 OH TYR A 19 -6.147 0.317 4.934 1.00 2.16 O ATOM 0 H TYR A 19 0.857 -1.867 4.436 1.00 0.46 H new ATOM 0 HA TYR A 19 0.187 0.849 3.532 1.00 0.56 H new ATOM 0 HB2 TYR A 19 -0.236 -0.341 6.312 1.00 0.82 H new ATOM 0 HB3 TYR A 19 -0.240 1.378 5.972 1.00 0.82 H new ATOM 0 HD1 TYR A 19 -2.143 -1.788 5.556 1.00 1.94 H new ATOM 0 HD2 TYR A 19 -2.132 2.447 4.832 1.00 2.40 H new ATOM 0 HE1 TYR A 19 -4.612 -1.827 5.263 1.00 2.07 H new ATOM 0 HE2 TYR A 19 -4.619 2.470 4.863 1.00 2.69 H new ATOM 0 HH TYR A 19 -6.468 1.236 4.819 1.00 2.16 H new ATOM 272 N LEU A 20 2.593 1.368 4.100 1.00 1.53 N ATOM 273 CA LEU A 20 4.059 1.345 4.016 1.00 1.55 C ATOM 274 C LEU A 20 4.683 2.660 3.556 1.00 1.25 C ATOM 275 O LEU A 20 4.081 3.381 2.759 1.00 0.93 O ATOM 276 CB LEU A 20 4.491 0.160 3.119 1.00 1.65 C ATOM 277 CG LEU A 20 3.997 0.245 1.654 1.00 1.50 C ATOM 278 CD1 LEU A 20 5.125 0.697 0.723 1.00 1.73 C ATOM 279 CD2 LEU A 20 3.455 -1.101 1.163 1.00 1.99 C ATOM 0 H LEU A 20 2.157 2.165 3.636 1.00 1.53 H new ATOM 0 HA LEU A 20 4.440 1.208 5.028 1.00 1.55 H new ATOM 0 HB2 LEU A 20 5.579 0.100 3.118 1.00 1.65 H new ATOM 0 HB3 LEU A 20 4.121 -0.766 3.560 1.00 1.65 H new ATOM 0 HG LEU A 20 3.191 0.978 1.634 1.00 1.50 H new ATOM 0 HD11 LEU A 20 4.753 0.749 -0.300 1.00 1.73 H new ATOM 0 HD12 LEU A 20 5.479 1.681 1.031 1.00 1.73 H new ATOM 0 HD13 LEU A 20 5.947 -0.017 0.775 1.00 1.73 H new ATOM 0 HD21 LEU A 20 3.118 -1.003 0.131 1.00 1.99 H new ATOM 0 HD22 LEU A 20 4.243 -1.852 1.217 1.00 1.99 H new ATOM 0 HD23 LEU A 20 2.618 -1.407 1.791 1.00 1.99 H new ATOM 291 N THR A 21 5.894 2.957 4.039 1.00 1.49 N ATOM 292 CA THR A 21 6.653 4.146 3.645 1.00 1.34 C ATOM 293 C THR A 21 7.377 3.902 2.333 1.00 1.30 C ATOM 294 O THR A 21 7.999 2.864 2.121 1.00 1.48 O ATOM 295 CB THR A 21 7.602 4.612 4.751 1.00 1.50 C ATOM 296 OG1 THR A 21 6.852 4.731 5.935 1.00 1.80 O ATOM 297 CG2 THR A 21 8.210 5.981 4.452 1.00 1.89 C ATOM 0 H THR A 21 6.378 2.373 4.721 1.00 1.49 H new ATOM 0 HA THR A 21 5.946 4.961 3.489 1.00 1.34 H new ATOM 0 HB THR A 21 8.412 3.887 4.833 1.00 1.50 H new ATOM 0 HG1 THR A 21 6.781 3.854 6.367 1.00 1.80 H new ATOM 0 HG21 THR A 21 8.876 6.269 5.265 1.00 1.89 H new ATOM 0 HG22 THR A 21 8.774 5.933 3.521 1.00 1.89 H new ATOM 0 HG23 THR A 21 7.414 6.720 4.356 1.00 1.89 H new ATOM 305 N LEU A 22 7.280 4.901 1.465 1.00 1.28 N ATOM 306 CA LEU A 22 8.015 5.048 0.214 1.00 1.47 C ATOM 307 C LEU A 22 9.041 6.167 0.375 1.00 1.20 C ATOM 308 O LEU A 22 8.688 7.237 0.871 1.00 1.18 O ATOM 309 CB LEU A 22 7.023 5.442 -0.904 1.00 1.97 C ATOM 310 CG LEU A 22 6.769 4.389 -1.982 1.00 2.58 C ATOM 311 CD1 LEU A 22 8.038 4.088 -2.784 1.00 2.78 C ATOM 312 CD2 LEU A 22 6.169 3.115 -1.381 1.00 3.35 C ATOM 0 H LEU A 22 6.644 5.682 1.626 1.00 1.28 H new ATOM 0 HA LEU A 22 8.514 4.113 -0.039 1.00 1.47 H new ATOM 0 HB2 LEU A 22 6.069 5.696 -0.442 1.00 1.97 H new ATOM 0 HB3 LEU A 22 7.394 6.346 -1.388 1.00 1.97 H new ATOM 0 HG LEU A 22 6.038 4.801 -2.678 1.00 2.58 H new ATOM 0 HD11 LEU A 22 7.820 3.335 -3.541 1.00 2.78 H new ATOM 0 HD12 LEU A 22 8.387 5.000 -3.269 1.00 2.78 H new ATOM 0 HD13 LEU A 22 8.812 3.715 -2.114 1.00 2.78 H new ATOM 0 HD21 LEU A 22 5.999 2.384 -2.172 1.00 3.35 H new ATOM 0 HD22 LEU A 22 6.858 2.700 -0.646 1.00 3.35 H new ATOM 0 HD23 LEU A 22 5.222 3.352 -0.897 1.00 3.35 H new ATOM 324 N GLU A 23 10.260 5.963 -0.115 1.00 1.12 N ATOM 325 CA GLU A 23 11.240 7.037 -0.297 1.00 1.00 C ATOM 326 C GLU A 23 11.561 7.262 -1.772 1.00 1.00 C ATOM 327 O GLU A 23 11.307 6.405 -2.618 1.00 1.39 O ATOM 328 CB GLU A 23 12.538 6.762 0.477 1.00 1.29 C ATOM 329 CG GLU A 23 13.394 5.617 -0.084 1.00 2.52 C ATOM 330 CD GLU A 23 14.795 5.680 0.496 1.00 3.44 C ATOM 331 OE1 GLU A 23 15.572 6.582 0.102 1.00 4.29 O ATOM 332 OE2 GLU A 23 15.155 4.876 1.377 1.00 4.08 O ATOM 0 H GLU A 23 10.601 5.045 -0.399 1.00 1.12 H new ATOM 0 HA GLU A 23 10.783 7.942 0.103 1.00 1.00 H new ATOM 0 HB2 GLU A 23 13.137 7.672 0.488 1.00 1.29 H new ATOM 0 HB3 GLU A 23 12.285 6.534 1.512 1.00 1.29 H new ATOM 0 HG2 GLU A 23 12.935 4.658 0.157 1.00 2.52 H new ATOM 0 HG3 GLU A 23 13.439 5.685 -1.171 1.00 2.52 H new ATOM 339 N ASN A 24 12.214 8.382 -2.067 1.00 0.84 N ATOM 340 CA ASN A 24 12.885 8.597 -3.340 1.00 0.78 C ATOM 341 C ASN A 24 14.389 8.843 -3.115 1.00 0.81 C ATOM 342 O ASN A 24 14.760 9.892 -2.585 1.00 1.04 O ATOM 343 CB ASN A 24 12.223 9.785 -4.038 1.00 0.86 C ATOM 344 CG ASN A 24 12.634 9.873 -5.499 1.00 0.82 C ATOM 345 OD1 ASN A 24 13.640 9.314 -5.923 1.00 1.48 O ATOM 346 ND2 ASN A 24 11.850 10.561 -6.295 1.00 0.81 N ATOM 0 H ASN A 24 12.292 9.170 -1.424 1.00 0.84 H new ATOM 0 HA ASN A 24 12.793 7.714 -3.972 1.00 0.78 H new ATOM 0 HB2 ASN A 24 11.139 9.691 -3.969 1.00 0.86 H new ATOM 0 HB3 ASN A 24 12.496 10.708 -3.526 1.00 0.86 H new ATOM 0 HD21 ASN A 24 12.072 10.639 -7.287 1.00 0.81 H new ATOM 0 HD22 ASN A 24 11.018 11.018 -5.921 1.00 0.81 H new ATOM 353 N PRO A 25 15.276 7.922 -3.528 1.00 0.83 N ATOM 354 CA PRO A 25 16.721 8.117 -3.432 1.00 0.98 C ATOM 355 C PRO A 25 17.314 8.970 -4.572 1.00 0.95 C ATOM 356 O PRO A 25 18.448 9.427 -4.445 1.00 1.09 O ATOM 357 CB PRO A 25 17.294 6.697 -3.455 1.00 1.19 C ATOM 358 CG PRO A 25 16.302 5.945 -4.344 1.00 1.17 C ATOM 359 CD PRO A 25 14.966 6.569 -3.966 1.00 0.97 C ATOM 0 HA PRO A 25 16.974 8.675 -2.531 1.00 0.98 H new ATOM 0 HB2 PRO A 25 18.303 6.675 -3.866 1.00 1.19 H new ATOM 0 HB3 PRO A 25 17.348 6.266 -2.455 1.00 1.19 H new ATOM 0 HG2 PRO A 25 16.526 6.079 -5.402 1.00 1.17 H new ATOM 0 HG3 PRO A 25 16.317 4.873 -4.149 1.00 1.17 H new ATOM 0 HD2 PRO A 25 14.284 6.579 -4.816 1.00 0.97 H new ATOM 0 HD3 PRO A 25 14.479 6.002 -3.173 1.00 0.97 H new ATOM 367 N GLY A 26 16.588 9.186 -5.680 1.00 0.87 N ATOM 368 CA GLY A 26 17.089 9.853 -6.882 1.00 0.91 C ATOM 369 C GLY A 26 16.962 11.372 -6.822 1.00 0.90 C ATOM 370 O GLY A 26 16.597 11.946 -5.799 1.00 1.30 O ATOM 0 H GLY A 26 15.614 8.893 -5.762 1.00 0.87 H new ATOM 0 HA2 GLY A 26 18.136 9.588 -7.027 1.00 0.91 H new ATOM 0 HA3 GLY A 26 16.543 9.483 -7.750 1.00 0.91 H new ATOM 374 N ASP A 27 17.314 12.011 -7.932 1.00 0.92 N ATOM 375 CA ASP A 27 17.391 13.462 -8.103 1.00 1.40 C ATOM 376 C ASP A 27 16.109 14.027 -8.752 1.00 1.55 C ATOM 377 O ASP A 27 15.890 15.234 -8.791 1.00 1.95 O ATOM 378 CB ASP A 27 18.621 13.718 -8.995 1.00 1.76 C ATOM 379 CG ASP A 27 19.972 13.616 -8.267 1.00 2.29 C ATOM 380 OD1 ASP A 27 20.055 12.862 -7.265 1.00 2.71 O ATOM 381 OD2 ASP A 27 20.921 14.290 -8.711 1.00 3.35 O ATOM 0 H ASP A 27 17.567 11.507 -8.782 1.00 0.92 H new ATOM 0 HA ASP A 27 17.483 13.964 -7.140 1.00 1.40 H new ATOM 0 HB2 ASP A 27 18.612 13.003 -9.818 1.00 1.76 H new ATOM 0 HB3 ASP A 27 18.534 14.712 -9.435 1.00 1.76 H new ATOM 386 N LEU A 28 15.249 13.128 -9.239 1.00 1.31 N ATOM 387 CA LEU A 28 14.017 13.385 -9.986 1.00 1.39 C ATOM 388 C LEU A 28 12.866 12.569 -9.351 1.00 1.13 C ATOM 389 O LEU A 28 13.144 11.611 -8.622 1.00 0.94 O ATOM 390 CB LEU A 28 14.232 12.998 -11.465 1.00 1.58 C ATOM 391 CG LEU A 28 15.534 13.500 -12.135 1.00 2.97 C ATOM 392 CD1 LEU A 28 16.644 12.437 -12.088 1.00 3.84 C ATOM 393 CD2 LEU A 28 15.272 13.852 -13.608 1.00 3.61 C ATOM 0 H LEU A 28 15.409 12.129 -9.111 1.00 1.31 H new ATOM 0 HA LEU A 28 13.754 14.442 -9.945 1.00 1.39 H new ATOM 0 HB2 LEU A 28 14.209 11.911 -11.539 1.00 1.58 H new ATOM 0 HB3 LEU A 28 13.387 13.374 -12.041 1.00 1.58 H new ATOM 0 HG LEU A 28 15.858 14.381 -11.581 1.00 2.97 H new ATOM 0 HD11 LEU A 28 17.542 12.827 -12.568 1.00 3.84 H new ATOM 0 HD12 LEU A 28 16.866 12.189 -11.050 1.00 3.84 H new ATOM 0 HD13 LEU A 28 16.312 11.541 -12.612 1.00 3.84 H new ATOM 0 HD21 LEU A 28 16.196 14.204 -14.068 1.00 3.61 H new ATOM 0 HD22 LEU A 28 14.918 12.967 -14.136 1.00 3.61 H new ATOM 0 HD23 LEU A 28 14.516 14.636 -13.666 1.00 3.61 H new ATOM 405 N PRO A 29 11.581 12.902 -9.595 1.00 1.20 N ATOM 406 CA PRO A 29 10.463 12.300 -8.879 1.00 1.06 C ATOM 407 C PRO A 29 10.212 10.857 -9.337 1.00 0.93 C ATOM 408 O PRO A 29 10.556 10.469 -10.453 1.00 1.07 O ATOM 409 CB PRO A 29 9.268 13.223 -9.123 1.00 1.21 C ATOM 410 CG PRO A 29 9.568 13.847 -10.481 1.00 1.38 C ATOM 411 CD PRO A 29 11.096 13.874 -10.562 1.00 1.43 C ATOM 0 HA PRO A 29 10.663 12.214 -7.811 1.00 1.06 H new ATOM 0 HB2 PRO A 29 8.329 12.669 -9.135 1.00 1.21 H new ATOM 0 HB3 PRO A 29 9.181 13.981 -8.344 1.00 1.21 H new ATOM 0 HG2 PRO A 29 9.138 13.259 -11.292 1.00 1.38 H new ATOM 0 HG3 PRO A 29 9.149 14.850 -10.558 1.00 1.38 H new ATOM 0 HD2 PRO A 29 11.435 13.623 -11.567 1.00 1.43 H new ATOM 0 HD3 PRO A 29 11.478 14.869 -10.336 1.00 1.43 H new ATOM 419 N LEU A 30 9.591 10.065 -8.459 1.00 0.79 N ATOM 420 CA LEU A 30 9.106 8.715 -8.741 1.00 0.69 C ATOM 421 C LEU A 30 7.589 8.689 -8.753 1.00 0.63 C ATOM 422 O LEU A 30 6.930 9.413 -8.008 1.00 0.72 O ATOM 423 CB LEU A 30 9.586 7.712 -7.677 1.00 0.70 C ATOM 424 CG LEU A 30 11.060 7.336 -7.844 1.00 0.84 C ATOM 425 CD1 LEU A 30 11.592 6.710 -6.548 1.00 1.87 C ATOM 426 CD2 LEU A 30 11.307 6.348 -8.988 1.00 1.61 C ATOM 0 H LEU A 30 9.407 10.358 -7.500 1.00 0.79 H new ATOM 0 HA LEU A 30 9.502 8.432 -9.716 1.00 0.69 H new ATOM 0 HB2 LEU A 30 9.434 8.139 -6.686 1.00 0.70 H new ATOM 0 HB3 LEU A 30 8.976 6.810 -7.732 1.00 0.70 H new ATOM 0 HG LEU A 30 11.583 8.263 -8.081 1.00 0.84 H new ATOM 0 HD11 LEU A 30 12.642 6.445 -6.676 1.00 1.87 H new ATOM 0 HD12 LEU A 30 11.495 7.426 -5.732 1.00 1.87 H new ATOM 0 HD13 LEU A 30 11.018 5.813 -6.315 1.00 1.87 H new ATOM 0 HD21 LEU A 30 12.372 6.124 -9.052 1.00 1.61 H new ATOM 0 HD22 LEU A 30 10.753 5.428 -8.800 1.00 1.61 H new ATOM 0 HD23 LEU A 30 10.972 6.788 -9.927 1.00 1.61 H new ATOM 438 N ARG A 31 7.082 7.741 -9.531 1.00 0.59 N ATOM 439 CA ARG A 31 5.647 7.515 -9.721 1.00 0.53 C ATOM 440 C ARG A 31 5.281 6.056 -9.481 1.00 0.54 C ATOM 441 O ARG A 31 5.600 5.195 -10.298 1.00 0.58 O ATOM 442 CB ARG A 31 5.241 7.974 -11.124 1.00 0.54 C ATOM 443 CG ARG A 31 3.713 8.081 -11.233 1.00 0.58 C ATOM 444 CD ARG A 31 3.270 8.992 -12.378 1.00 0.69 C ATOM 445 NE ARG A 31 3.715 10.373 -12.127 1.00 1.19 N ATOM 446 CZ ARG A 31 3.808 11.385 -12.970 1.00 1.22 C ATOM 447 NH1 ARG A 31 3.383 11.301 -14.218 1.00 1.59 N ATOM 448 NH2 ARG A 31 4.354 12.502 -12.553 1.00 2.01 N ATOM 0 H ARG A 31 7.665 7.092 -10.060 1.00 0.59 H new ATOM 0 HA ARG A 31 5.094 8.102 -8.988 1.00 0.53 H new ATOM 0 HB2 ARG A 31 5.696 8.940 -11.343 1.00 0.54 H new ATOM 0 HB3 ARG A 31 5.616 7.270 -11.866 1.00 0.54 H new ATOM 0 HG2 ARG A 31 3.292 7.086 -11.381 1.00 0.58 H new ATOM 0 HG3 ARG A 31 3.311 8.461 -10.294 1.00 0.58 H new ATOM 0 HD2 ARG A 31 3.685 8.633 -13.320 1.00 0.69 H new ATOM 0 HD3 ARG A 31 2.185 8.964 -12.477 1.00 0.69 H new ATOM 0 HE ARG A 31 3.990 10.577 -11.166 1.00 1.19 H new ATOM 0 HH11 ARG A 31 2.967 10.434 -14.558 1.00 1.59 H new ATOM 0 HH12 ARG A 31 3.471 12.103 -14.842 1.00 1.59 H new ATOM 0 HH21 ARG A 31 4.696 12.576 -11.595 1.00 2.01 H new ATOM 0 HH22 ARG A 31 4.436 13.297 -13.187 1.00 2.01 H new ATOM 462 N LEU A 32 4.661 5.758 -8.350 1.00 0.57 N ATOM 463 CA LEU A 32 4.371 4.404 -7.881 1.00 0.60 C ATOM 464 C LEU A 32 2.965 4.020 -8.369 1.00 0.60 C ATOM 465 O LEU A 32 1.975 4.530 -7.851 1.00 0.65 O ATOM 466 CB LEU A 32 4.527 4.450 -6.350 1.00 0.67 C ATOM 467 CG LEU A 32 4.660 3.137 -5.547 1.00 0.98 C ATOM 468 CD1 LEU A 32 3.811 3.221 -4.269 1.00 1.84 C ATOM 469 CD2 LEU A 32 4.295 1.858 -6.305 1.00 1.69 C ATOM 0 H LEU A 32 4.332 6.477 -7.706 1.00 0.57 H new ATOM 0 HA LEU A 32 5.040 3.636 -8.268 1.00 0.60 H new ATOM 0 HB2 LEU A 32 5.408 5.054 -6.132 1.00 0.67 H new ATOM 0 HB3 LEU A 32 3.666 4.987 -5.952 1.00 0.67 H new ATOM 0 HG LEU A 32 5.724 3.053 -5.325 1.00 0.98 H new ATOM 0 HD11 LEU A 32 3.908 2.293 -3.706 1.00 1.84 H new ATOM 0 HD12 LEU A 32 4.156 4.054 -3.657 1.00 1.84 H new ATOM 0 HD13 LEU A 32 2.766 3.376 -4.536 1.00 1.84 H new ATOM 0 HD21 LEU A 32 4.424 0.997 -5.649 1.00 1.69 H new ATOM 0 HD22 LEU A 32 3.257 1.913 -6.632 1.00 1.69 H new ATOM 0 HD23 LEU A 32 4.944 1.752 -7.174 1.00 1.69 H new ATOM 481 N VAL A 33 2.881 3.171 -9.394 1.00 0.57 N ATOM 482 CA VAL A 33 1.630 2.925 -10.149 1.00 0.56 C ATOM 483 C VAL A 33 0.904 1.652 -9.673 1.00 0.55 C ATOM 484 O VAL A 33 -0.317 1.547 -9.762 1.00 0.64 O ATOM 485 CB VAL A 33 1.876 2.866 -11.682 1.00 0.58 C ATOM 486 CG1 VAL A 33 2.550 4.149 -12.203 1.00 0.70 C ATOM 487 CG2 VAL A 33 2.731 1.676 -12.159 1.00 0.51 C ATOM 0 H VAL A 33 3.675 2.628 -9.733 1.00 0.57 H new ATOM 0 HA VAL A 33 0.982 3.777 -9.944 1.00 0.56 H new ATOM 0 HB VAL A 33 0.872 2.747 -12.090 1.00 0.58 H new ATOM 0 HG11 VAL A 33 2.705 4.068 -13.279 1.00 0.70 H new ATOM 0 HG12 VAL A 33 1.912 5.007 -11.992 1.00 0.70 H new ATOM 0 HG13 VAL A 33 3.512 4.282 -11.707 1.00 0.70 H new ATOM 0 HG21 VAL A 33 2.847 1.722 -13.242 1.00 0.51 H new ATOM 0 HG22 VAL A 33 3.713 1.721 -11.687 1.00 0.51 H new ATOM 0 HG23 VAL A 33 2.240 0.742 -11.886 1.00 0.51 H new ATOM 497 N GLY A 34 1.667 0.680 -9.160 1.00 0.50 N ATOM 498 CA GLY A 34 1.177 -0.578 -8.600 1.00 0.54 C ATOM 499 C GLY A 34 2.202 -1.205 -7.667 1.00 0.55 C ATOM 500 O GLY A 34 3.315 -0.710 -7.497 1.00 0.52 O ATOM 0 H GLY A 34 2.684 0.755 -9.124 1.00 0.50 H new ATOM 0 HA2 GLY A 34 0.249 -0.400 -8.057 1.00 0.54 H new ATOM 0 HA3 GLY A 34 0.945 -1.272 -9.408 1.00 0.54 H new ATOM 504 N ALA A 35 1.849 -2.367 -7.136 1.00 0.64 N ATOM 505 CA ALA A 35 2.790 -3.308 -6.543 1.00 0.56 C ATOM 506 C ALA A 35 2.527 -4.715 -7.105 1.00 0.48 C ATOM 507 O ALA A 35 1.637 -4.905 -7.931 1.00 0.61 O ATOM 508 CB ALA A 35 2.688 -3.231 -5.011 1.00 0.77 C ATOM 0 H ALA A 35 0.882 -2.689 -7.104 1.00 0.64 H new ATOM 0 HA ALA A 35 3.817 -3.053 -6.804 1.00 0.56 H new ATOM 0 HB1 ALA A 35 3.391 -3.934 -4.564 1.00 0.77 H new ATOM 0 HB2 ALA A 35 2.926 -2.220 -4.681 1.00 0.77 H new ATOM 0 HB3 ALA A 35 1.674 -3.484 -4.701 1.00 0.77 H new ATOM 514 N ARG A 36 3.297 -5.683 -6.624 1.00 0.42 N ATOM 515 CA ARG A 36 3.139 -7.131 -6.721 1.00 0.42 C ATOM 516 C ARG A 36 3.659 -7.716 -5.387 1.00 0.42 C ATOM 517 O ARG A 36 4.160 -6.976 -4.539 1.00 0.49 O ATOM 518 CB ARG A 36 3.862 -7.602 -8.003 1.00 0.58 C ATOM 519 CG ARG A 36 3.944 -9.114 -8.261 1.00 1.30 C ATOM 520 CD ARG A 36 2.591 -9.822 -8.424 1.00 2.42 C ATOM 521 NE ARG A 36 2.781 -11.283 -8.365 1.00 3.11 N ATOM 522 CZ ARG A 36 1.877 -12.185 -7.985 1.00 4.41 C ATOM 523 NH1 ARG A 36 0.610 -11.874 -7.808 1.00 5.54 N ATOM 524 NH2 ARG A 36 2.258 -13.425 -7.763 1.00 5.27 N ATOM 0 H ARG A 36 4.139 -5.448 -6.099 1.00 0.42 H new ATOM 0 HA ARG A 36 2.112 -7.479 -6.833 1.00 0.42 H new ATOM 0 HB2 ARG A 36 3.364 -7.142 -8.857 1.00 0.58 H new ATOM 0 HB3 ARG A 36 4.879 -7.210 -7.978 1.00 0.58 H new ATOM 0 HG2 ARG A 36 4.535 -9.282 -9.162 1.00 1.30 H new ATOM 0 HG3 ARG A 36 4.483 -9.579 -7.435 1.00 1.30 H new ATOM 0 HD2 ARG A 36 1.906 -9.503 -7.638 1.00 2.42 H new ATOM 0 HD3 ARG A 36 2.137 -9.543 -9.375 1.00 2.42 H new ATOM 0 HE ARG A 36 3.696 -11.639 -8.643 1.00 3.11 H new ATOM 0 HH11 ARG A 36 0.293 -10.917 -7.962 1.00 5.54 H new ATOM 0 HH12 ARG A 36 -0.055 -12.590 -7.517 1.00 5.54 H new ATOM 0 HH21 ARG A 36 3.237 -13.687 -7.882 1.00 5.27 H new ATOM 0 HH22 ARG A 36 1.575 -14.124 -7.472 1.00 5.27 H new ATOM 538 N THR A 37 3.431 -9.005 -5.141 1.00 0.43 N ATOM 539 CA THR A 37 3.704 -9.727 -3.891 1.00 0.43 C ATOM 540 C THR A 37 3.460 -11.211 -4.141 1.00 0.49 C ATOM 541 O THR A 37 2.595 -11.526 -4.967 1.00 0.53 O ATOM 542 CB THR A 37 2.844 -9.192 -2.738 1.00 0.45 C ATOM 543 OG1 THR A 37 3.033 -9.987 -1.601 1.00 0.56 O ATOM 544 CG2 THR A 37 1.338 -9.156 -3.007 1.00 0.50 C ATOM 0 H THR A 37 3.025 -9.615 -5.851 1.00 0.43 H new ATOM 0 HA THR A 37 4.740 -9.575 -3.590 1.00 0.43 H new ATOM 0 HB THR A 37 3.177 -8.163 -2.605 1.00 0.45 H new ATOM 0 HG1 THR A 37 3.780 -9.633 -1.075 1.00 0.56 H new ATOM 0 HG21 THR A 37 0.821 -8.763 -2.132 1.00 0.50 H new ATOM 0 HG22 THR A 37 1.137 -8.515 -3.865 1.00 0.50 H new ATOM 0 HG23 THR A 37 0.982 -10.165 -3.216 1.00 0.50 H new ATOM 552 N PRO A 38 4.160 -12.136 -3.460 1.00 0.55 N ATOM 553 CA PRO A 38 3.901 -13.553 -3.639 1.00 0.62 C ATOM 554 C PRO A 38 2.569 -13.987 -3.022 1.00 0.68 C ATOM 555 O PRO A 38 1.935 -14.886 -3.563 1.00 1.01 O ATOM 556 CB PRO A 38 5.119 -14.275 -3.057 1.00 0.67 C ATOM 557 CG PRO A 38 5.722 -13.289 -2.056 1.00 0.67 C ATOM 558 CD PRO A 38 5.288 -11.914 -2.565 1.00 0.60 C ATOM 0 HA PRO A 38 3.780 -13.810 -4.691 1.00 0.62 H new ATOM 0 HB2 PRO A 38 4.830 -15.206 -2.569 1.00 0.67 H new ATOM 0 HB3 PRO A 38 5.835 -14.533 -3.837 1.00 0.67 H new ATOM 0 HG2 PRO A 38 5.354 -13.473 -1.047 1.00 0.67 H new ATOM 0 HG3 PRO A 38 6.808 -13.374 -2.020 1.00 0.67 H new ATOM 0 HD2 PRO A 38 5.003 -11.267 -1.736 1.00 0.60 H new ATOM 0 HD3 PRO A 38 6.106 -11.419 -3.089 1.00 0.60 H new ATOM 566 N VAL A 39 2.113 -13.345 -1.938 1.00 0.60 N ATOM 567 CA VAL A 39 0.977 -13.833 -1.125 1.00 0.62 C ATOM 568 C VAL A 39 -0.420 -13.351 -1.564 1.00 0.58 C ATOM 569 O VAL A 39 -1.365 -13.453 -0.780 1.00 0.66 O ATOM 570 CB VAL A 39 1.185 -13.541 0.378 1.00 0.65 C ATOM 571 CG1 VAL A 39 2.462 -14.215 0.910 1.00 0.78 C ATOM 572 CG2 VAL A 39 1.239 -12.032 0.619 1.00 0.65 C ATOM 0 H VAL A 39 2.517 -12.473 -1.595 1.00 0.60 H new ATOM 0 HA VAL A 39 0.982 -14.908 -1.304 1.00 0.62 H new ATOM 0 HB VAL A 39 0.338 -13.958 0.922 1.00 0.65 H new ATOM 0 HG11 VAL A 39 2.578 -13.989 1.970 1.00 0.78 H new ATOM 0 HG12 VAL A 39 2.387 -15.294 0.775 1.00 0.78 H new ATOM 0 HG13 VAL A 39 3.327 -13.840 0.362 1.00 0.78 H new ATOM 0 HG21 VAL A 39 1.386 -11.838 1.682 1.00 0.65 H new ATOM 0 HG22 VAL A 39 2.066 -11.603 0.054 1.00 0.65 H new ATOM 0 HG23 VAL A 39 0.303 -11.578 0.293 1.00 0.65 H new ATOM 582 N ALA A 40 -0.593 -12.881 -2.806 1.00 0.53 N ATOM 583 CA ALA A 40 -1.907 -12.511 -3.348 1.00 0.51 C ATOM 584 C ALA A 40 -2.001 -12.632 -4.869 1.00 0.57 C ATOM 585 O ALA A 40 -1.005 -12.535 -5.589 1.00 0.79 O ATOM 586 CB ALA A 40 -2.276 -11.101 -2.869 1.00 0.54 C ATOM 0 H ALA A 40 0.175 -12.746 -3.464 1.00 0.53 H new ATOM 0 HA ALA A 40 -2.631 -13.230 -2.965 1.00 0.51 H new ATOM 0 HB1 ALA A 40 -3.251 -10.824 -3.270 1.00 0.54 H new ATOM 0 HB2 ALA A 40 -2.314 -11.085 -1.780 1.00 0.54 H new ATOM 0 HB3 ALA A 40 -1.526 -10.391 -3.216 1.00 0.54 H new ATOM 592 N GLU A 41 -3.238 -12.842 -5.326 1.00 0.62 N ATOM 593 CA GLU A 41 -3.612 -12.983 -6.726 1.00 0.78 C ATOM 594 C GLU A 41 -3.712 -11.600 -7.379 1.00 0.82 C ATOM 595 O GLU A 41 -2.887 -11.231 -8.217 1.00 1.06 O ATOM 596 CB GLU A 41 -4.943 -13.773 -6.792 1.00 0.89 C ATOM 597 CG GLU A 41 -5.003 -14.725 -7.992 1.00 1.06 C ATOM 598 CD GLU A 41 -4.157 -15.965 -7.716 1.00 1.87 C ATOM 599 OE1 GLU A 41 -2.910 -15.853 -7.722 1.00 3.10 O ATOM 600 OE2 GLU A 41 -4.712 -17.017 -7.336 1.00 2.72 O ATOM 0 H GLU A 41 -4.038 -12.921 -4.698 1.00 0.62 H new ATOM 0 HA GLU A 41 -2.857 -13.537 -7.284 1.00 0.78 H new ATOM 0 HB2 GLU A 41 -5.068 -14.345 -5.872 1.00 0.89 H new ATOM 0 HB3 GLU A 41 -5.776 -13.072 -6.847 1.00 0.89 H new ATOM 0 HG2 GLU A 41 -6.036 -15.015 -8.186 1.00 1.06 H new ATOM 0 HG3 GLU A 41 -4.641 -14.219 -8.887 1.00 1.06 H new ATOM 607 N ARG A 42 -4.671 -10.782 -6.931 1.00 0.83 N ATOM 608 CA ARG A 42 -4.873 -9.426 -7.455 1.00 0.87 C ATOM 609 C ARG A 42 -4.494 -8.383 -6.410 1.00 0.75 C ATOM 610 O ARG A 42 -5.215 -8.143 -5.452 1.00 1.41 O ATOM 611 CB ARG A 42 -6.300 -9.199 -7.987 1.00 0.97 C ATOM 612 CG ARG A 42 -6.514 -9.804 -9.385 1.00 1.31 C ATOM 613 CD ARG A 42 -7.716 -9.179 -10.112 1.00 1.66 C ATOM 614 NE ARG A 42 -7.417 -7.802 -10.561 1.00 3.05 N ATOM 615 CZ ARG A 42 -7.882 -6.663 -10.057 1.00 4.46 C ATOM 616 NH1 ARG A 42 -8.839 -6.598 -9.161 1.00 4.87 N ATOM 617 NH2 ARG A 42 -7.377 -5.512 -10.427 1.00 6.16 N ATOM 0 H ARG A 42 -5.329 -11.041 -6.196 1.00 0.83 H new ATOM 0 HA ARG A 42 -4.209 -9.313 -8.312 1.00 0.87 H new ATOM 0 HB2 ARG A 42 -7.017 -9.637 -7.292 1.00 0.97 H new ATOM 0 HB3 ARG A 42 -6.504 -8.129 -8.023 1.00 0.97 H new ATOM 0 HG2 ARG A 42 -5.614 -9.659 -9.983 1.00 1.31 H new ATOM 0 HG3 ARG A 42 -6.666 -10.879 -9.294 1.00 1.31 H new ATOM 0 HD2 ARG A 42 -7.984 -9.794 -10.971 1.00 1.66 H new ATOM 0 HD3 ARG A 42 -8.580 -9.167 -9.447 1.00 1.66 H new ATOM 0 HE ARG A 42 -6.778 -7.716 -11.351 1.00 3.05 H new ATOM 0 HH11 ARG A 42 -9.270 -7.454 -8.812 1.00 4.87 H new ATOM 0 HH12 ARG A 42 -9.152 -5.691 -8.813 1.00 4.87 H new ATOM 0 HH21 ARG A 42 -6.619 -5.483 -11.109 1.00 6.16 H new ATOM 0 HH22 ARG A 42 -7.742 -4.645 -10.033 1.00 6.16 H new ATOM 631 N VAL A 43 -3.369 -7.731 -6.673 1.00 0.66 N ATOM 632 CA VAL A 43 -2.950 -6.457 -6.078 1.00 0.63 C ATOM 633 C VAL A 43 -3.727 -5.316 -6.758 1.00 0.68 C ATOM 634 O VAL A 43 -4.025 -5.409 -7.951 1.00 1.10 O ATOM 635 CB VAL A 43 -1.431 -6.264 -6.287 1.00 0.95 C ATOM 636 CG1 VAL A 43 -1.012 -6.302 -7.774 1.00 1.26 C ATOM 637 CG2 VAL A 43 -0.886 -4.987 -5.618 1.00 1.43 C ATOM 0 H VAL A 43 -2.686 -8.090 -7.340 1.00 0.66 H new ATOM 0 HA VAL A 43 -3.159 -6.455 -5.008 1.00 0.63 H new ATOM 0 HB VAL A 43 -0.978 -7.122 -5.790 1.00 0.95 H new ATOM 0 HG11 VAL A 43 0.066 -6.161 -7.852 1.00 1.26 H new ATOM 0 HG12 VAL A 43 -1.284 -7.266 -8.204 1.00 1.26 H new ATOM 0 HG13 VAL A 43 -1.523 -5.506 -8.316 1.00 1.26 H new ATOM 0 HG21 VAL A 43 0.186 -4.909 -5.801 1.00 1.43 H new ATOM 0 HG22 VAL A 43 -1.390 -4.115 -6.035 1.00 1.43 H new ATOM 0 HG23 VAL A 43 -1.068 -5.033 -4.544 1.00 1.43 H new ATOM 647 N GLU A 44 -4.038 -4.254 -6.020 1.00 0.66 N ATOM 648 CA GLU A 44 -4.766 -3.081 -6.507 1.00 0.62 C ATOM 649 C GLU A 44 -4.420 -1.869 -5.636 1.00 0.53 C ATOM 650 O GLU A 44 -4.160 -2.045 -4.448 1.00 0.63 O ATOM 651 CB GLU A 44 -6.268 -3.393 -6.454 1.00 0.81 C ATOM 652 CG GLU A 44 -7.089 -2.550 -7.423 1.00 1.35 C ATOM 653 CD GLU A 44 -8.455 -3.203 -7.568 1.00 1.75 C ATOM 654 OE1 GLU A 44 -9.286 -3.026 -6.653 1.00 2.40 O ATOM 655 OE2 GLU A 44 -8.637 -3.936 -8.566 1.00 2.64 O ATOM 0 H GLU A 44 -3.783 -4.182 -5.035 1.00 0.66 H new ATOM 0 HA GLU A 44 -4.486 -2.847 -7.534 1.00 0.62 H new ATOM 0 HB2 GLU A 44 -6.422 -4.448 -6.680 1.00 0.81 H new ATOM 0 HB3 GLU A 44 -6.632 -3.228 -5.440 1.00 0.81 H new ATOM 0 HG2 GLU A 44 -7.191 -1.531 -7.050 1.00 1.35 H new ATOM 0 HG3 GLU A 44 -6.591 -2.487 -8.391 1.00 1.35 H new ATOM 662 N LEU A 45 -4.374 -0.654 -6.192 1.00 0.53 N ATOM 663 CA LEU A 45 -3.943 0.553 -5.471 1.00 0.53 C ATOM 664 C LEU A 45 -5.142 1.450 -5.128 1.00 0.49 C ATOM 665 O LEU A 45 -5.851 1.921 -6.022 1.00 0.53 O ATOM 666 CB LEU A 45 -2.884 1.265 -6.338 1.00 0.73 C ATOM 667 CG LEU A 45 -2.403 2.619 -5.784 1.00 0.52 C ATOM 668 CD1 LEU A 45 -1.704 2.534 -4.421 1.00 0.62 C ATOM 669 CD2 LEU A 45 -1.457 3.270 -6.802 1.00 0.92 C ATOM 0 H LEU A 45 -4.636 -0.477 -7.162 1.00 0.53 H new ATOM 0 HA LEU A 45 -3.495 0.293 -4.512 1.00 0.53 H new ATOM 0 HB2 LEU A 45 -2.022 0.607 -6.449 1.00 0.73 H new ATOM 0 HB3 LEU A 45 -3.296 1.421 -7.335 1.00 0.73 H new ATOM 0 HG LEU A 45 -3.298 3.220 -5.625 1.00 0.52 H new ATOM 0 HD11 LEU A 45 -1.398 3.532 -4.106 1.00 0.62 H new ATOM 0 HD12 LEU A 45 -2.391 2.116 -3.685 1.00 0.62 H new ATOM 0 HD13 LEU A 45 -0.825 1.894 -4.502 1.00 0.62 H new ATOM 0 HD21 LEU A 45 -1.112 4.229 -6.417 1.00 0.92 H new ATOM 0 HD22 LEU A 45 -0.600 2.618 -6.971 1.00 0.92 H new ATOM 0 HD23 LEU A 45 -1.986 3.426 -7.742 1.00 0.92 H new ATOM 681 N HIS A 46 -5.364 1.706 -3.835 1.00 0.47 N ATOM 682 CA HIS A 46 -6.516 2.451 -3.313 1.00 0.47 C ATOM 683 C HIS A 46 -6.137 3.615 -2.376 1.00 0.42 C ATOM 684 O HIS A 46 -5.108 3.623 -1.702 1.00 0.46 O ATOM 685 CB HIS A 46 -7.422 1.495 -2.502 1.00 0.55 C ATOM 686 CG HIS A 46 -8.129 0.348 -3.179 1.00 0.61 C ATOM 687 ND1 HIS A 46 -8.832 -0.636 -2.495 1.00 0.68 N ATOM 688 CD2 HIS A 46 -8.169 0.029 -4.505 1.00 0.65 C ATOM 689 CE1 HIS A 46 -9.204 -1.552 -3.386 1.00 0.76 C ATOM 690 NE2 HIS A 46 -8.852 -1.165 -4.622 1.00 0.75 N ATOM 0 H HIS A 46 -4.729 1.392 -3.101 1.00 0.47 H new ATOM 0 HA HIS A 46 -7.017 2.868 -4.187 1.00 0.47 H new ATOM 0 HB2 HIS A 46 -6.810 1.070 -1.706 1.00 0.55 H new ATOM 0 HB3 HIS A 46 -8.187 2.106 -2.024 1.00 0.55 H new ATOM 0 HD2 HIS A 46 -7.744 0.605 -5.314 1.00 0.65 H new ATOM 0 HE1 HIS A 46 -9.715 -2.473 -3.149 1.00 0.76 H new ATOM 0 HE2 HIS A 46 -9.053 -1.662 -5.490 1.00 0.75 H new ATOM 698 N GLU A 47 -7.093 4.532 -2.250 1.00 0.40 N ATOM 699 CA GLU A 47 -7.237 5.511 -1.168 1.00 0.45 C ATOM 700 C GLU A 47 -8.362 5.137 -0.186 1.00 0.57 C ATOM 701 O GLU A 47 -9.267 4.369 -0.533 1.00 0.74 O ATOM 702 CB GLU A 47 -7.459 6.904 -1.769 1.00 0.41 C ATOM 703 CG GLU A 47 -8.845 7.125 -2.389 1.00 0.46 C ATOM 704 CD GLU A 47 -9.060 8.601 -2.698 1.00 0.93 C ATOM 705 OE1 GLU A 47 -8.669 9.016 -3.808 1.00 2.10 O ATOM 706 OE2 GLU A 47 -9.622 9.286 -1.815 1.00 1.77 O ATOM 0 H GLU A 47 -7.836 4.619 -2.943 1.00 0.40 H new ATOM 0 HA GLU A 47 -6.316 5.514 -0.585 1.00 0.45 H new ATOM 0 HB2 GLU A 47 -7.302 7.650 -0.989 1.00 0.41 H new ATOM 0 HB3 GLU A 47 -6.702 7.079 -2.534 1.00 0.41 H new ATOM 0 HG2 GLU A 47 -8.939 6.538 -3.303 1.00 0.46 H new ATOM 0 HG3 GLU A 47 -9.617 6.774 -1.704 1.00 0.46 H new ATOM 713 N THR A 48 -8.319 5.733 1.016 1.00 0.66 N ATOM 714 CA THR A 48 -9.343 5.671 2.073 1.00 0.72 C ATOM 715 C THR A 48 -9.493 7.081 2.635 1.00 0.73 C ATOM 716 O THR A 48 -8.491 7.793 2.713 1.00 0.83 O ATOM 717 CB THR A 48 -8.932 4.743 3.220 1.00 0.96 C ATOM 718 OG1 THR A 48 -8.443 3.531 2.717 1.00 0.98 O ATOM 719 CG2 THR A 48 -10.070 4.411 4.184 1.00 1.31 C ATOM 0 H THR A 48 -7.521 6.305 1.293 1.00 0.66 H new ATOM 0 HA THR A 48 -10.268 5.285 1.645 1.00 0.72 H new ATOM 0 HB THR A 48 -8.167 5.292 3.769 1.00 0.96 H new ATOM 0 HG1 THR A 48 -7.491 3.625 2.505 1.00 0.98 H new ATOM 0 HG21 THR A 48 -9.701 3.750 4.968 1.00 1.31 H new ATOM 0 HG22 THR A 48 -10.447 5.330 4.632 1.00 1.31 H new ATOM 0 HG23 THR A 48 -10.874 3.916 3.640 1.00 1.31 H new ATOM 727 N PHE A 49 -10.700 7.476 3.038 1.00 0.76 N ATOM 728 CA PHE A 49 -11.013 8.863 3.385 1.00 0.88 C ATOM 729 C PHE A 49 -12.202 9.020 4.342 1.00 0.86 C ATOM 730 O PHE A 49 -13.035 8.128 4.524 1.00 0.79 O ATOM 731 CB PHE A 49 -11.253 9.659 2.091 1.00 0.86 C ATOM 732 CG PHE A 49 -12.352 9.110 1.196 1.00 0.71 C ATOM 733 CD1 PHE A 49 -13.702 9.405 1.463 1.00 1.68 C ATOM 734 CD2 PHE A 49 -12.027 8.318 0.084 1.00 2.00 C ATOM 735 CE1 PHE A 49 -14.713 8.934 0.610 1.00 1.61 C ATOM 736 CE2 PHE A 49 -13.031 7.878 -0.790 1.00 2.13 C ATOM 737 CZ PHE A 49 -14.378 8.193 -0.536 1.00 0.90 C ATOM 0 H PHE A 49 -11.492 6.841 3.134 1.00 0.76 H new ATOM 0 HA PHE A 49 -10.154 9.256 3.930 1.00 0.88 H new ATOM 0 HB2 PHE A 49 -11.499 10.687 2.355 1.00 0.86 H new ATOM 0 HB3 PHE A 49 -10.323 9.690 1.523 1.00 0.86 H new ATOM 0 HD1 PHE A 49 -13.962 9.997 2.328 1.00 1.68 H new ATOM 0 HD2 PHE A 49 -10.998 8.046 -0.099 1.00 2.00 H new ATOM 0 HE1 PHE A 49 -15.749 9.141 0.835 1.00 1.61 H new ATOM 0 HE2 PHE A 49 -12.769 7.295 -1.661 1.00 2.13 H new ATOM 0 HZ PHE A 49 -15.150 7.867 -1.217 1.00 0.90 H new ATOM 747 N MET A 50 -12.316 10.228 4.904 1.00 1.11 N ATOM 748 CA MET A 50 -13.512 10.714 5.612 1.00 1.02 C ATOM 749 C MET A 50 -14.410 11.538 4.685 1.00 0.89 C ATOM 750 O MET A 50 -13.930 12.230 3.789 1.00 0.98 O ATOM 751 CB MET A 50 -13.109 11.537 6.845 1.00 1.25 C ATOM 752 CG MET A 50 -12.818 10.638 8.050 1.00 2.73 C ATOM 753 SD MET A 50 -14.122 10.535 9.314 1.00 3.89 S ATOM 754 CE MET A 50 -15.582 10.048 8.359 1.00 5.86 C ATOM 0 H MET A 50 -11.562 10.914 4.880 1.00 1.11 H new ATOM 0 HA MET A 50 -14.082 9.846 5.943 1.00 1.02 H new ATOM 0 HB2 MET A 50 -12.226 12.133 6.613 1.00 1.25 H new ATOM 0 HB3 MET A 50 -13.908 12.235 7.095 1.00 1.25 H new ATOM 0 HG2 MET A 50 -12.616 9.631 7.685 1.00 2.73 H new ATOM 0 HG3 MET A 50 -11.905 10.993 8.529 1.00 2.73 H new ATOM 0 HE1 MET A 50 -16.334 9.632 9.030 1.00 5.86 H new ATOM 0 HE2 MET A 50 -15.992 10.921 7.851 1.00 5.86 H new ATOM 0 HE3 MET A 50 -15.300 9.297 7.621 1.00 5.86 H new ATOM 764 N ARG A 51 -15.720 11.457 4.911 1.00 0.78 N ATOM 765 CA ARG A 51 -16.771 12.015 4.052 1.00 0.77 C ATOM 766 C ARG A 51 -18.013 12.351 4.890 1.00 0.76 C ATOM 767 O ARG A 51 -18.183 11.847 6.003 1.00 0.73 O ATOM 768 CB ARG A 51 -17.097 10.994 2.940 1.00 1.01 C ATOM 769 CG ARG A 51 -17.358 11.610 1.555 1.00 1.51 C ATOM 770 CD ARG A 51 -18.840 11.622 1.173 1.00 1.87 C ATOM 771 NE ARG A 51 -19.020 12.253 -0.145 1.00 3.13 N ATOM 772 CZ ARG A 51 -19.950 13.134 -0.500 1.00 4.14 C ATOM 773 NH1 ARG A 51 -20.886 13.554 0.328 1.00 4.38 N ATOM 774 NH2 ARG A 51 -19.936 13.611 -1.729 1.00 5.43 N ATOM 0 H ARG A 51 -16.097 10.982 5.731 1.00 0.78 H new ATOM 0 HA ARG A 51 -16.429 12.941 3.589 1.00 0.77 H new ATOM 0 HB2 ARG A 51 -16.269 10.290 2.859 1.00 1.01 H new ATOM 0 HB3 ARG A 51 -17.975 10.421 3.238 1.00 1.01 H new ATOM 0 HG2 ARG A 51 -16.977 12.631 1.540 1.00 1.51 H new ATOM 0 HG3 ARG A 51 -16.800 11.051 0.804 1.00 1.51 H new ATOM 0 HD2 ARG A 51 -19.226 10.603 1.152 1.00 1.87 H new ATOM 0 HD3 ARG A 51 -19.413 12.164 1.925 1.00 1.87 H new ATOM 0 HE ARG A 51 -18.354 11.983 -0.869 1.00 3.13 H new ATOM 0 HH11 ARG A 51 -20.916 13.201 1.285 1.00 4.38 H new ATOM 0 HH12 ARG A 51 -21.580 14.232 0.012 1.00 4.38 H new ATOM 0 HH21 ARG A 51 -19.220 13.303 -2.387 1.00 5.43 H new ATOM 0 HH22 ARG A 51 -20.641 14.288 -2.021 1.00 5.43 H new ATOM 788 N GLU A 52 -18.900 13.187 4.361 1.00 0.97 N ATOM 789 CA GLU A 52 -20.130 13.590 5.009 1.00 0.99 C ATOM 790 C GLU A 52 -21.371 13.057 4.284 1.00 1.10 C ATOM 791 O GLU A 52 -21.411 13.087 3.051 1.00 1.31 O ATOM 792 CB GLU A 52 -20.125 15.117 4.944 1.00 1.25 C ATOM 793 CG GLU A 52 -21.189 15.717 5.840 1.00 1.35 C ATOM 794 CD GLU A 52 -20.710 15.747 7.277 1.00 1.51 C ATOM 795 OE1 GLU A 52 -20.655 14.665 7.888 1.00 2.43 O ATOM 796 OE2 GLU A 52 -20.410 16.836 7.799 1.00 2.24 O ATOM 0 H GLU A 52 -18.774 13.612 3.442 1.00 0.97 H new ATOM 0 HA GLU A 52 -20.176 13.197 6.025 1.00 0.99 H new ATOM 0 HB2 GLU A 52 -19.145 15.491 5.241 1.00 1.25 H new ATOM 0 HB3 GLU A 52 -20.291 15.438 3.916 1.00 1.25 H new ATOM 0 HG2 GLU A 52 -21.427 16.727 5.508 1.00 1.35 H new ATOM 0 HG3 GLU A 52 -22.107 15.133 5.767 1.00 1.35 H new ATOM 803 N VAL A 53 -22.400 12.662 5.044 1.00 1.11 N ATOM 804 CA VAL A 53 -23.776 12.434 4.563 1.00 1.36 C ATOM 805 C VAL A 53 -24.755 13.057 5.575 1.00 1.41 C ATOM 806 O VAL A 53 -24.748 12.666 6.732 1.00 1.77 O ATOM 807 CB VAL A 53 -24.059 10.919 4.378 1.00 1.59 C ATOM 808 CG1 VAL A 53 -25.458 10.686 3.789 1.00 2.35 C ATOM 809 CG2 VAL A 53 -23.035 10.245 3.444 1.00 2.20 C ATOM 0 H VAL A 53 -22.299 12.486 6.043 1.00 1.11 H new ATOM 0 HA VAL A 53 -23.905 12.904 3.588 1.00 1.36 H new ATOM 0 HB VAL A 53 -23.986 10.477 5.372 1.00 1.59 H new ATOM 0 HG11 VAL A 53 -25.629 9.616 3.670 1.00 2.35 H new ATOM 0 HG12 VAL A 53 -26.209 11.101 4.461 1.00 2.35 H new ATOM 0 HG13 VAL A 53 -25.530 11.175 2.817 1.00 2.35 H new ATOM 0 HG21 VAL A 53 -23.274 9.186 3.345 1.00 2.20 H new ATOM 0 HG22 VAL A 53 -23.071 10.718 2.463 1.00 2.20 H new ATOM 0 HG23 VAL A 53 -22.034 10.353 3.862 1.00 2.20 H new ATOM 819 N GLU A 54 -25.524 14.078 5.171 1.00 1.64 N ATOM 820 CA GLU A 54 -26.496 14.855 5.990 1.00 1.95 C ATOM 821 C GLU A 54 -25.871 15.711 7.120 1.00 1.93 C ATOM 822 O GLU A 54 -26.584 16.249 7.962 1.00 2.39 O ATOM 823 CB GLU A 54 -27.598 13.982 6.631 1.00 2.22 C ATOM 824 CG GLU A 54 -28.321 12.928 5.781 1.00 2.36 C ATOM 825 CD GLU A 54 -28.638 11.707 6.650 1.00 2.67 C ATOM 826 OE1 GLU A 54 -29.352 11.838 7.669 1.00 3.27 O ATOM 827 OE2 GLU A 54 -28.052 10.626 6.414 1.00 3.29 O ATOM 0 H GLU A 54 -25.490 14.412 4.208 1.00 1.64 H new ATOM 0 HA GLU A 54 -26.926 15.524 5.245 1.00 1.95 H new ATOM 0 HB2 GLU A 54 -27.152 13.465 7.481 1.00 2.22 H new ATOM 0 HB3 GLU A 54 -28.357 14.655 7.030 1.00 2.22 H new ATOM 0 HG2 GLU A 54 -29.240 13.344 5.370 1.00 2.36 H new ATOM 0 HG3 GLU A 54 -27.698 12.635 4.936 1.00 2.36 H new ATOM 834 N GLY A 55 -24.542 15.810 7.177 1.00 1.63 N ATOM 835 CA GLY A 55 -23.804 16.324 8.350 1.00 1.67 C ATOM 836 C GLY A 55 -23.305 15.229 9.311 1.00 1.38 C ATOM 837 O GLY A 55 -22.778 15.537 10.383 1.00 1.62 O ATOM 0 H GLY A 55 -23.934 15.535 6.406 1.00 1.63 H new ATOM 0 HA2 GLY A 55 -22.949 16.903 8.002 1.00 1.67 H new ATOM 0 HA3 GLY A 55 -24.450 17.008 8.900 1.00 1.67 H new ATOM 841 N LYS A 56 -23.442 13.958 8.925 1.00 1.07 N ATOM 842 CA LYS A 56 -23.049 12.759 9.662 1.00 1.00 C ATOM 843 C LYS A 56 -21.836 12.137 8.958 1.00 0.95 C ATOM 844 O LYS A 56 -21.809 11.913 7.743 1.00 0.94 O ATOM 845 CB LYS A 56 -24.190 11.723 9.749 1.00 1.16 C ATOM 846 CG LYS A 56 -25.514 12.255 10.337 1.00 1.40 C ATOM 847 CD LYS A 56 -26.734 11.694 9.596 1.00 2.23 C ATOM 848 CE LYS A 56 -27.062 10.224 9.865 1.00 2.29 C ATOM 849 NZ LYS A 56 -28.141 9.787 8.946 1.00 2.81 N ATOM 0 H LYS A 56 -23.861 13.726 8.024 1.00 1.07 H new ATOM 0 HA LYS A 56 -22.804 13.048 10.684 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -24.385 11.335 8.749 1.00 1.16 H new ATOM 0 HB3 LYS A 56 -23.852 10.883 10.357 1.00 1.16 H new ATOM 0 HG2 LYS A 56 -25.576 11.989 11.392 1.00 1.40 H new ATOM 0 HG3 LYS A 56 -25.524 13.344 10.282 1.00 1.40 H new ATOM 0 HD2 LYS A 56 -27.604 12.295 9.862 1.00 2.23 H new ATOM 0 HD3 LYS A 56 -26.574 11.820 8.525 1.00 2.23 H new ATOM 0 HE2 LYS A 56 -26.174 9.609 9.720 1.00 2.29 H new ATOM 0 HE3 LYS A 56 -27.375 10.093 10.901 1.00 2.29 H new ATOM 0 HZ1 LYS A 56 -28.587 8.925 9.319 1.00 2.81 H new ATOM 0 HZ2 LYS A 56 -28.855 10.539 8.866 1.00 2.81 H new ATOM 0 HZ3 LYS A 56 -27.739 9.590 8.007 1.00 2.81 H new ATOM 863 N LYS A 57 -20.822 11.872 9.768 1.00 1.20 N ATOM 864 CA LYS A 57 -19.472 11.539 9.326 1.00 1.21 C ATOM 865 C LYS A 57 -19.426 10.060 8.907 1.00 1.36 C ATOM 866 O LYS A 57 -19.728 9.180 9.705 1.00 1.73 O ATOM 867 CB LYS A 57 -18.427 11.879 10.423 1.00 1.68 C ATOM 868 CG LYS A 57 -18.578 13.204 11.213 1.00 1.75 C ATOM 869 CD LYS A 57 -19.091 14.394 10.393 1.00 2.31 C ATOM 870 CE LYS A 57 -19.140 15.735 11.126 1.00 2.34 C ATOM 871 NZ LYS A 57 -20.110 16.627 10.444 1.00 2.75 N ATOM 0 H LYS A 57 -20.917 11.883 10.784 1.00 1.20 H new ATOM 0 HA LYS A 57 -19.210 12.145 8.458 1.00 1.21 H new ATOM 0 HB2 LYS A 57 -18.429 11.062 11.145 1.00 1.68 H new ATOM 0 HB3 LYS A 57 -17.444 11.886 9.952 1.00 1.68 H new ATOM 0 HG2 LYS A 57 -19.260 13.036 12.047 1.00 1.75 H new ATOM 0 HG3 LYS A 57 -17.610 13.467 11.640 1.00 1.75 H new ATOM 0 HD2 LYS A 57 -18.457 14.505 9.513 1.00 2.31 H new ATOM 0 HD3 LYS A 57 -20.094 14.160 10.036 1.00 2.31 H new ATOM 0 HE2 LYS A 57 -19.434 15.585 12.165 1.00 2.34 H new ATOM 0 HE3 LYS A 57 -18.151 16.194 11.137 1.00 2.34 H new ATOM 0 HZ1 LYS A 57 -20.074 17.573 10.875 1.00 2.75 H new ATOM 0 HZ2 LYS A 57 -19.868 16.696 9.435 1.00 2.75 H new ATOM 0 HZ3 LYS A 57 -21.069 16.238 10.544 1.00 2.75 H new ATOM 885 N VAL A 58 -19.072 9.800 7.653 1.00 1.24 N ATOM 886 CA VAL A 58 -19.080 8.476 7.001 1.00 1.59 C ATOM 887 C VAL A 58 -17.768 8.295 6.233 1.00 1.42 C ATOM 888 O VAL A 58 -17.349 9.189 5.507 1.00 1.50 O ATOM 889 CB VAL A 58 -20.300 8.357 6.048 1.00 1.80 C ATOM 890 CG1 VAL A 58 -20.269 7.083 5.189 1.00 2.57 C ATOM 891 CG2 VAL A 58 -21.625 8.372 6.831 1.00 2.40 C ATOM 0 H VAL A 58 -18.754 10.538 7.024 1.00 1.24 H new ATOM 0 HA VAL A 58 -19.166 7.692 7.753 1.00 1.59 H new ATOM 0 HB VAL A 58 -20.236 9.224 5.390 1.00 1.80 H new ATOM 0 HG11 VAL A 58 -21.148 7.057 4.544 1.00 2.57 H new ATOM 0 HG12 VAL A 58 -19.368 7.080 4.575 1.00 2.57 H new ATOM 0 HG13 VAL A 58 -20.269 6.207 5.837 1.00 2.57 H new ATOM 0 HG21 VAL A 58 -22.460 8.287 6.135 1.00 2.40 H new ATOM 0 HG22 VAL A 58 -21.646 7.533 7.527 1.00 2.40 H new ATOM 0 HG23 VAL A 58 -21.709 9.306 7.386 1.00 2.40 H new ATOM 901 N MET A 59 -17.089 7.157 6.402 1.00 1.28 N ATOM 902 CA MET A 59 -15.847 6.861 5.673 1.00 1.13 C ATOM 903 C MET A 59 -16.106 6.288 4.274 1.00 1.02 C ATOM 904 O MET A 59 -17.208 5.848 3.956 1.00 1.19 O ATOM 905 CB MET A 59 -14.941 5.919 6.475 1.00 1.45 C ATOM 906 CG MET A 59 -14.383 6.625 7.714 1.00 1.65 C ATOM 907 SD MET A 59 -13.172 5.639 8.627 1.00 2.63 S ATOM 908 CE MET A 59 -11.906 6.908 8.869 1.00 2.79 C ATOM 0 H MET A 59 -17.380 6.418 7.042 1.00 1.28 H new ATOM 0 HA MET A 59 -15.335 7.814 5.544 1.00 1.13 H new ATOM 0 HB2 MET A 59 -15.504 5.036 6.777 1.00 1.45 H new ATOM 0 HB3 MET A 59 -14.120 5.574 5.846 1.00 1.45 H new ATOM 0 HG2 MET A 59 -13.919 7.563 7.409 1.00 1.65 H new ATOM 0 HG3 MET A 59 -15.208 6.879 8.380 1.00 1.65 H new ATOM 0 HE1 MET A 59 -11.067 6.484 9.421 1.00 2.79 H new ATOM 0 HE2 MET A 59 -11.559 7.265 7.899 1.00 2.79 H new ATOM 0 HE3 MET A 59 -12.328 7.740 9.432 1.00 2.79 H new ATOM 918 N GLY A 60 -15.059 6.282 3.450 1.00 0.83 N ATOM 919 CA GLY A 60 -15.068 5.695 2.119 1.00 0.83 C ATOM 920 C GLY A 60 -13.686 5.263 1.652 1.00 0.72 C ATOM 921 O GLY A 60 -12.683 5.486 2.324 1.00 0.68 O ATOM 0 H GLY A 60 -14.161 6.696 3.700 1.00 0.83 H new ATOM 0 HA2 GLY A 60 -15.734 4.832 2.113 1.00 0.83 H new ATOM 0 HA3 GLY A 60 -15.475 6.417 1.412 1.00 0.83 H new ATOM 925 N MET A 61 -13.650 4.604 0.495 1.00 0.75 N ATOM 926 CA MET A 61 -12.469 4.016 -0.114 1.00 0.64 C ATOM 927 C MET A 61 -12.693 3.870 -1.617 1.00 0.64 C ATOM 928 O MET A 61 -13.778 3.473 -2.065 1.00 0.80 O ATOM 929 CB MET A 61 -12.250 2.654 0.541 1.00 0.77 C ATOM 930 CG MET A 61 -10.994 1.947 0.061 1.00 0.61 C ATOM 931 SD MET A 61 -11.043 0.130 0.141 1.00 0.77 S ATOM 932 CE MET A 61 -11.710 -0.119 1.805 1.00 1.33 C ATOM 0 H MET A 61 -14.489 4.461 -0.068 1.00 0.75 H new ATOM 0 HA MET A 61 -11.590 4.644 0.033 1.00 0.64 H new ATOM 0 HB2 MET A 61 -12.194 2.784 1.622 1.00 0.77 H new ATOM 0 HB3 MET A 61 -13.114 2.020 0.341 1.00 0.77 H new ATOM 0 HG2 MET A 61 -10.802 2.243 -0.970 1.00 0.61 H new ATOM 0 HG3 MET A 61 -10.150 2.297 0.656 1.00 0.61 H new ATOM 0 HE1 MET A 61 -11.602 -1.166 2.087 1.00 1.33 H new ATOM 0 HE2 MET A 61 -11.165 0.505 2.513 1.00 1.33 H new ATOM 0 HE3 MET A 61 -12.765 0.154 1.819 1.00 1.33 H new ATOM 942 N ARG A 62 -11.674 4.203 -2.404 1.00 0.53 N ATOM 943 CA ARG A 62 -11.708 4.247 -3.872 1.00 0.58 C ATOM 944 C ARG A 62 -10.372 3.763 -4.460 1.00 0.49 C ATOM 945 O ARG A 62 -9.345 3.932 -3.808 1.00 0.45 O ATOM 946 CB ARG A 62 -11.996 5.696 -4.318 1.00 0.75 C ATOM 947 CG ARG A 62 -13.438 6.187 -4.090 1.00 1.30 C ATOM 948 CD ARG A 62 -14.490 5.582 -5.029 1.00 2.47 C ATOM 949 NE ARG A 62 -14.881 4.243 -4.563 1.00 4.84 N ATOM 950 CZ ARG A 62 -15.594 3.321 -5.190 1.00 6.85 C ATOM 951 NH1 ARG A 62 -16.160 3.538 -6.363 1.00 6.97 N ATOM 952 NH2 ARG A 62 -15.721 2.145 -4.612 1.00 8.85 N ATOM 0 H ARG A 62 -10.762 4.461 -2.026 1.00 0.53 H new ATOM 0 HA ARG A 62 -12.493 3.585 -4.237 1.00 0.58 H new ATOM 0 HB2 ARG A 62 -11.316 6.363 -3.788 1.00 0.75 H new ATOM 0 HB3 ARG A 62 -11.765 5.783 -5.380 1.00 0.75 H new ATOM 0 HG2 ARG A 62 -13.722 5.965 -3.061 1.00 1.30 H new ATOM 0 HG3 ARG A 62 -13.457 7.271 -4.199 1.00 1.30 H new ATOM 0 HD2 ARG A 62 -15.366 6.230 -5.071 1.00 2.47 H new ATOM 0 HD3 ARG A 62 -14.091 5.520 -6.041 1.00 2.47 H new ATOM 0 HE ARG A 62 -14.559 3.990 -3.629 1.00 4.84 H new ATOM 0 HH11 ARG A 62 -16.056 4.444 -6.820 1.00 6.97 H new ATOM 0 HH12 ARG A 62 -16.702 2.800 -6.812 1.00 6.97 H new ATOM 0 HH21 ARG A 62 -15.277 1.969 -3.711 1.00 8.85 H new ATOM 0 HH22 ARG A 62 -16.263 1.410 -5.066 1.00 8.85 H new ATOM 966 N PRO A 63 -10.359 3.145 -5.656 1.00 0.50 N ATOM 967 CA PRO A 63 -9.123 2.865 -6.366 1.00 0.48 C ATOM 968 C PRO A 63 -8.567 4.153 -6.974 1.00 0.47 C ATOM 969 O PRO A 63 -9.334 5.069 -7.265 1.00 0.50 O ATOM 970 CB PRO A 63 -9.489 1.833 -7.427 1.00 0.51 C ATOM 971 CG PRO A 63 -10.926 2.220 -7.786 1.00 0.57 C ATOM 972 CD PRO A 63 -11.502 2.714 -6.453 1.00 0.58 C ATOM 0 HA PRO A 63 -8.339 2.479 -5.714 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -8.827 1.887 -8.291 1.00 0.51 H new ATOM 0 HB3 PRO A 63 -9.427 0.815 -7.041 1.00 0.51 H new ATOM 0 HG2 PRO A 63 -10.954 2.998 -8.549 1.00 0.57 H new ATOM 0 HG3 PRO A 63 -11.486 1.370 -8.176 1.00 0.57 H new ATOM 0 HD2 PRO A 63 -12.200 3.536 -6.610 1.00 0.58 H new ATOM 0 HD3 PRO A 63 -12.053 1.920 -5.948 1.00 0.58 H new ATOM 980 N VAL A 64 -7.248 4.205 -7.161 1.00 0.44 N ATOM 981 CA VAL A 64 -6.518 5.376 -7.691 1.00 0.41 C ATOM 982 C VAL A 64 -5.477 4.924 -8.734 1.00 0.42 C ATOM 983 O VAL A 64 -5.072 3.759 -8.701 1.00 0.45 O ATOM 984 CB VAL A 64 -5.864 6.207 -6.555 1.00 0.41 C ATOM 985 CG1 VAL A 64 -6.908 6.711 -5.553 1.00 0.60 C ATOM 986 CG2 VAL A 64 -4.770 5.437 -5.804 1.00 0.68 C ATOM 0 H VAL A 64 -6.635 3.419 -6.945 1.00 0.44 H new ATOM 0 HA VAL A 64 -7.236 6.031 -8.184 1.00 0.41 H new ATOM 0 HB VAL A 64 -5.396 7.058 -7.049 1.00 0.41 H new ATOM 0 HG11 VAL A 64 -6.414 7.289 -4.772 1.00 0.60 H new ATOM 0 HG12 VAL A 64 -7.632 7.342 -6.068 1.00 0.60 H new ATOM 0 HG13 VAL A 64 -7.422 5.861 -5.105 1.00 0.60 H new ATOM 0 HG21 VAL A 64 -4.351 6.070 -5.022 1.00 0.68 H new ATOM 0 HG22 VAL A 64 -5.199 4.541 -5.354 1.00 0.68 H new ATOM 0 HG23 VAL A 64 -3.982 5.151 -6.501 1.00 0.68 H new ATOM 996 N PRO A 65 -5.050 5.792 -9.678 1.00 0.46 N ATOM 997 CA PRO A 65 -4.252 5.380 -10.831 1.00 0.51 C ATOM 998 C PRO A 65 -2.762 5.237 -10.514 1.00 0.47 C ATOM 999 O PRO A 65 -2.090 4.444 -11.167 1.00 0.48 O ATOM 1000 CB PRO A 65 -4.512 6.452 -11.890 1.00 0.59 C ATOM 1001 CG PRO A 65 -4.717 7.719 -11.064 1.00 0.56 C ATOM 1002 CD PRO A 65 -5.414 7.199 -9.806 1.00 0.48 C ATOM 0 HA PRO A 65 -4.540 4.385 -11.171 1.00 0.51 H new ATOM 0 HB2 PRO A 65 -3.671 6.551 -12.577 1.00 0.59 H new ATOM 0 HB3 PRO A 65 -5.390 6.218 -12.492 1.00 0.59 H new ATOM 0 HG2 PRO A 65 -3.770 8.206 -10.829 1.00 0.56 H new ATOM 0 HG3 PRO A 65 -5.329 8.450 -11.592 1.00 0.56 H new ATOM 0 HD2 PRO A 65 -5.098 7.762 -8.928 1.00 0.48 H new ATOM 0 HD3 PRO A 65 -6.495 7.314 -9.887 1.00 0.48 H new ATOM 1010 N PHE A 66 -2.256 5.987 -9.527 1.00 0.45 N ATOM 1011 CA PHE A 66 -0.854 6.016 -9.086 1.00 0.43 C ATOM 1012 C PHE A 66 -0.665 6.960 -7.892 1.00 0.43 C ATOM 1013 O PHE A 66 -1.504 7.818 -7.619 1.00 0.46 O ATOM 1014 CB PHE A 66 0.104 6.424 -10.223 1.00 0.48 C ATOM 1015 CG PHE A 66 -0.110 7.834 -10.730 1.00 0.54 C ATOM 1016 CD1 PHE A 66 0.527 8.909 -10.089 1.00 2.19 C ATOM 1017 CD2 PHE A 66 -0.993 8.074 -11.793 1.00 1.71 C ATOM 1018 CE1 PHE A 66 0.263 10.228 -10.475 1.00 2.24 C ATOM 1019 CE2 PHE A 66 -1.241 9.398 -12.206 1.00 1.70 C ATOM 1020 CZ PHE A 66 -0.620 10.475 -11.543 1.00 0.66 C ATOM 0 H PHE A 66 -2.843 6.623 -8.986 1.00 0.45 H new ATOM 0 HA PHE A 66 -0.607 4.999 -8.780 1.00 0.43 H new ATOM 0 HB2 PHE A 66 1.131 6.327 -9.872 1.00 0.48 H new ATOM 0 HB3 PHE A 66 -0.016 5.728 -11.053 1.00 0.48 H new ATOM 0 HD1 PHE A 66 1.228 8.716 -9.290 1.00 2.19 H new ATOM 0 HD2 PHE A 66 -1.480 7.249 -12.292 1.00 1.71 H new ATOM 0 HE1 PHE A 66 0.733 11.051 -9.957 1.00 2.24 H new ATOM 0 HE2 PHE A 66 -1.909 9.588 -13.033 1.00 1.70 H new ATOM 0 HZ PHE A 66 -0.821 11.489 -11.854 1.00 0.66 H new ATOM 1030 N LEU A 67 0.492 6.840 -7.236 1.00 0.43 N ATOM 1031 CA LEU A 67 1.036 7.828 -6.308 1.00 0.45 C ATOM 1032 C LEU A 67 2.275 8.487 -6.917 1.00 0.50 C ATOM 1033 O LEU A 67 2.962 7.891 -7.745 1.00 0.50 O ATOM 1034 CB LEU A 67 1.428 7.162 -4.977 1.00 0.45 C ATOM 1035 CG LEU A 67 0.399 6.199 -4.360 1.00 0.45 C ATOM 1036 CD1 LEU A 67 0.935 5.735 -3.008 1.00 0.53 C ATOM 1037 CD2 LEU A 67 -0.980 6.828 -4.154 1.00 0.48 C ATOM 0 H LEU A 67 1.094 6.024 -7.342 1.00 0.43 H new ATOM 0 HA LEU A 67 0.269 8.580 -6.121 1.00 0.45 H new ATOM 0 HB2 LEU A 67 2.358 6.614 -5.131 1.00 0.45 H new ATOM 0 HB3 LEU A 67 1.637 7.948 -4.251 1.00 0.45 H new ATOM 0 HG LEU A 67 0.266 5.373 -5.058 1.00 0.45 H new ATOM 0 HD11 LEU A 67 0.222 5.050 -2.550 1.00 0.53 H new ATOM 0 HD12 LEU A 67 1.888 5.225 -3.150 1.00 0.53 H new ATOM 0 HD13 LEU A 67 1.078 6.598 -2.358 1.00 0.53 H new ATOM 0 HD21 LEU A 67 -1.654 6.092 -3.716 1.00 0.48 H new ATOM 0 HD22 LEU A 67 -0.893 7.684 -3.485 1.00 0.48 H new ATOM 0 HD23 LEU A 67 -1.377 7.157 -5.114 1.00 0.48 H new ATOM 1049 N GLU A 68 2.581 9.695 -6.461 1.00 0.57 N ATOM 1050 CA GLU A 68 3.808 10.423 -6.787 1.00 0.69 C ATOM 1051 C GLU A 68 4.663 10.559 -5.520 1.00 0.78 C ATOM 1052 O GLU A 68 4.103 10.734 -4.437 1.00 0.86 O ATOM 1053 CB GLU A 68 3.434 11.821 -7.304 1.00 0.87 C ATOM 1054 CG GLU A 68 4.637 12.616 -7.835 1.00 0.95 C ATOM 1055 CD GLU A 68 4.973 12.257 -9.289 1.00 0.98 C ATOM 1056 OE1 GLU A 68 4.780 11.098 -9.711 1.00 2.04 O ATOM 1057 OE2 GLU A 68 5.338 13.169 -10.061 1.00 2.08 O ATOM 0 H GLU A 68 1.966 10.214 -5.835 1.00 0.57 H new ATOM 0 HA GLU A 68 4.371 9.886 -7.551 1.00 0.69 H new ATOM 0 HB2 GLU A 68 2.695 11.721 -8.099 1.00 0.87 H new ATOM 0 HB3 GLU A 68 2.962 12.384 -6.499 1.00 0.87 H new ATOM 0 HG2 GLU A 68 4.424 13.683 -7.766 1.00 0.95 H new ATOM 0 HG3 GLU A 68 5.505 12.422 -7.205 1.00 0.95 H new ATOM 1064 N VAL A 69 5.998 10.545 -5.659 1.00 0.84 N ATOM 1065 CA VAL A 69 6.922 10.909 -4.571 1.00 0.95 C ATOM 1066 C VAL A 69 8.122 11.766 -5.037 1.00 1.05 C ATOM 1067 O VAL A 69 8.832 11.362 -5.960 1.00 1.07 O ATOM 1068 CB VAL A 69 7.436 9.652 -3.809 1.00 0.96 C ATOM 1069 CG1 VAL A 69 8.243 10.020 -2.550 1.00 1.11 C ATOM 1070 CG2 VAL A 69 6.319 8.683 -3.385 1.00 0.98 C ATOM 0 H VAL A 69 6.467 10.282 -6.526 1.00 0.84 H new ATOM 0 HA VAL A 69 6.332 11.525 -3.893 1.00 0.95 H new ATOM 0 HB VAL A 69 8.076 9.151 -4.535 1.00 0.96 H new ATOM 0 HG11 VAL A 69 8.579 9.109 -2.054 1.00 1.11 H new ATOM 0 HG12 VAL A 69 9.108 10.619 -2.835 1.00 1.11 H new ATOM 0 HG13 VAL A 69 7.614 10.593 -1.869 1.00 1.11 H new ATOM 0 HG21 VAL A 69 6.755 7.833 -2.860 1.00 0.98 H new ATOM 0 HG22 VAL A 69 5.621 9.198 -2.725 1.00 0.98 H new ATOM 0 HG23 VAL A 69 5.788 8.330 -4.269 1.00 0.98 H new ATOM 1080 N PRO A 70 8.394 12.928 -4.394 1.00 1.18 N ATOM 1081 CA PRO A 70 9.468 13.852 -4.774 1.00 1.27 C ATOM 1082 C PRO A 70 10.863 13.388 -4.296 1.00 1.31 C ATOM 1083 O PRO A 70 10.948 12.636 -3.322 1.00 1.37 O ATOM 1084 CB PRO A 70 9.086 15.191 -4.131 1.00 1.35 C ATOM 1085 CG PRO A 70 8.360 14.765 -2.859 1.00 1.35 C ATOM 1086 CD PRO A 70 7.614 13.512 -3.308 1.00 1.26 C ATOM 0 HA PRO A 70 9.555 13.915 -5.859 1.00 1.27 H new ATOM 0 HB2 PRO A 70 9.964 15.798 -3.911 1.00 1.35 H new ATOM 0 HB3 PRO A 70 8.444 15.784 -4.783 1.00 1.35 H new ATOM 0 HG2 PRO A 70 9.055 14.554 -2.046 1.00 1.35 H new ATOM 0 HG3 PRO A 70 7.678 15.537 -2.503 1.00 1.35 H new ATOM 0 HD2 PRO A 70 7.510 12.807 -2.483 1.00 1.26 H new ATOM 0 HD3 PRO A 70 6.607 13.760 -3.644 1.00 1.26 H new ATOM 1094 N PRO A 71 11.952 13.845 -4.953 1.00 1.31 N ATOM 1095 CA PRO A 71 13.322 13.385 -4.719 1.00 1.24 C ATOM 1096 C PRO A 71 13.854 13.699 -3.317 1.00 1.30 C ATOM 1097 O PRO A 71 13.567 14.748 -2.747 1.00 1.42 O ATOM 1098 CB PRO A 71 14.179 14.020 -5.816 1.00 1.21 C ATOM 1099 CG PRO A 71 13.386 15.254 -6.233 1.00 1.35 C ATOM 1100 CD PRO A 71 11.941 14.799 -6.055 1.00 1.36 C ATOM 0 HA PRO A 71 13.355 12.296 -4.764 1.00 1.24 H new ATOM 0 HB2 PRO A 71 15.169 14.287 -5.445 1.00 1.21 H new ATOM 0 HB3 PRO A 71 14.326 13.338 -6.653 1.00 1.21 H new ATOM 0 HG2 PRO A 71 13.619 16.116 -5.608 1.00 1.35 H new ATOM 0 HG3 PRO A 71 13.596 15.542 -7.263 1.00 1.35 H new ATOM 0 HD2 PRO A 71 11.290 15.645 -5.832 1.00 1.36 H new ATOM 0 HD3 PRO A 71 11.562 14.337 -6.967 1.00 1.36 H new ATOM 1108 N LYS A 72 14.620 12.745 -2.769 1.00 1.25 N ATOM 1109 CA LYS A 72 15.265 12.716 -1.439 1.00 1.38 C ATOM 1110 C LYS A 72 14.280 12.531 -0.262 1.00 1.57 C ATOM 1111 O LYS A 72 14.685 12.159 0.847 1.00 1.88 O ATOM 1112 CB LYS A 72 16.201 13.928 -1.247 1.00 1.48 C ATOM 1113 CG LYS A 72 17.152 14.204 -2.429 1.00 1.49 C ATOM 1114 CD LYS A 72 17.986 12.988 -2.870 1.00 1.27 C ATOM 1115 CE LYS A 72 18.758 13.334 -4.145 1.00 1.44 C ATOM 1116 NZ LYS A 72 19.402 12.139 -4.735 1.00 1.63 N ATOM 0 H LYS A 72 14.826 11.893 -3.290 1.00 1.25 H new ATOM 0 HA LYS A 72 15.879 11.815 -1.421 1.00 1.38 H new ATOM 0 HB2 LYS A 72 15.592 14.815 -1.074 1.00 1.48 H new ATOM 0 HB3 LYS A 72 16.797 13.770 -0.348 1.00 1.48 H new ATOM 0 HG2 LYS A 72 16.565 14.554 -3.278 1.00 1.49 H new ATOM 0 HG3 LYS A 72 17.829 15.013 -2.154 1.00 1.49 H new ATOM 0 HD2 LYS A 72 18.679 12.703 -2.079 1.00 1.27 H new ATOM 0 HD3 LYS A 72 17.335 12.132 -3.047 1.00 1.27 H new ATOM 0 HE2 LYS A 72 18.079 13.778 -4.873 1.00 1.44 H new ATOM 0 HE3 LYS A 72 19.517 14.083 -3.919 1.00 1.44 H new ATOM 0 HZ1 LYS A 72 19.450 12.245 -5.768 1.00 1.63 H new ATOM 0 HZ2 LYS A 72 20.364 12.039 -4.353 1.00 1.63 H new ATOM 0 HZ3 LYS A 72 18.846 11.293 -4.499 1.00 1.63 H new ATOM 1130 N GLY A 73 12.986 12.745 -0.510 1.00 1.54 N ATOM 1131 CA GLY A 73 11.910 12.691 0.478 1.00 1.71 C ATOM 1132 C GLY A 73 11.453 11.271 0.806 1.00 1.58 C ATOM 1133 O GLY A 73 11.993 10.282 0.303 1.00 1.66 O ATOM 0 H GLY A 73 12.647 12.970 -1.445 1.00 1.54 H new ATOM 0 HA2 GLY A 73 12.245 13.177 1.394 1.00 1.71 H new ATOM 0 HA3 GLY A 73 11.058 13.261 0.107 1.00 1.71 H new ATOM 1137 N ARG A 74 10.431 11.197 1.660 1.00 1.50 N ATOM 1138 CA ARG A 74 9.613 9.999 1.859 1.00 1.25 C ATOM 1139 C ARG A 74 8.160 10.362 2.184 1.00 1.63 C ATOM 1140 O ARG A 74 7.900 11.427 2.742 1.00 2.17 O ATOM 1141 CB ARG A 74 10.223 9.045 2.901 1.00 1.64 C ATOM 1142 CG ARG A 74 10.384 9.631 4.310 1.00 1.64 C ATOM 1143 CD ARG A 74 10.743 8.534 5.314 1.00 2.00 C ATOM 1144 NE ARG A 74 11.927 8.888 6.120 1.00 2.99 N ATOM 1145 CZ ARG A 74 12.421 8.147 7.106 1.00 3.73 C ATOM 1146 NH1 ARG A 74 11.949 6.958 7.369 1.00 4.03 N ATOM 1147 NH2 ARG A 74 13.407 8.590 7.856 1.00 4.88 N ATOM 0 H ARG A 74 10.143 11.982 2.244 1.00 1.50 H new ATOM 0 HA ARG A 74 9.604 9.454 0.915 1.00 1.25 H new ATOM 0 HB2 ARG A 74 9.597 8.155 2.965 1.00 1.64 H new ATOM 0 HB3 ARG A 74 11.201 8.722 2.545 1.00 1.64 H new ATOM 0 HG2 ARG A 74 11.162 10.395 4.305 1.00 1.64 H new ATOM 0 HG3 ARG A 74 9.459 10.120 4.614 1.00 1.64 H new ATOM 0 HD2 ARG A 74 9.895 8.356 5.975 1.00 2.00 H new ATOM 0 HD3 ARG A 74 10.933 7.603 4.781 1.00 2.00 H new ATOM 0 HE ARG A 74 12.401 9.765 5.905 1.00 2.99 H new ATOM 0 HH11 ARG A 74 11.184 6.578 6.812 1.00 4.03 H new ATOM 0 HH12 ARG A 74 12.346 6.409 8.132 1.00 4.03 H new ATOM 0 HH21 ARG A 74 13.803 9.514 7.684 1.00 4.88 H new ATOM 0 HH22 ARG A 74 13.775 8.009 8.609 1.00 4.88 H new ATOM 1161 N VAL A 75 7.242 9.480 1.802 1.00 1.62 N ATOM 1162 CA VAL A 75 5.780 9.619 1.913 1.00 2.21 C ATOM 1163 C VAL A 75 5.208 8.214 2.090 1.00 1.73 C ATOM 1164 O VAL A 75 5.688 7.289 1.442 1.00 1.63 O ATOM 1165 CB VAL A 75 5.159 10.264 0.644 1.00 2.95 C ATOM 1166 CG1 VAL A 75 3.624 10.367 0.740 1.00 3.64 C ATOM 1167 CG2 VAL A 75 5.711 11.671 0.355 1.00 3.42 C ATOM 0 H VAL A 75 7.508 8.591 1.379 1.00 1.62 H new ATOM 0 HA VAL A 75 5.543 10.269 2.755 1.00 2.21 H new ATOM 0 HB VAL A 75 5.439 9.597 -0.171 1.00 2.95 H new ATOM 0 HG11 VAL A 75 3.232 10.824 -0.169 1.00 3.64 H new ATOM 0 HG12 VAL A 75 3.199 9.370 0.857 1.00 3.64 H new ATOM 0 HG13 VAL A 75 3.354 10.980 1.600 1.00 3.64 H new ATOM 0 HG21 VAL A 75 5.239 12.069 -0.543 1.00 3.42 H new ATOM 0 HG22 VAL A 75 5.496 12.327 1.199 1.00 3.42 H new ATOM 0 HG23 VAL A 75 6.789 11.615 0.204 1.00 3.42 H new ATOM 1177 N GLU A 76 4.214 8.024 2.953 1.00 1.60 N ATOM 1178 CA GLU A 76 3.675 6.698 3.279 1.00 1.19 C ATOM 1179 C GLU A 76 2.252 6.472 2.758 1.00 1.04 C ATOM 1180 O GLU A 76 1.400 7.365 2.758 1.00 1.25 O ATOM 1181 CB GLU A 76 3.772 6.361 4.786 1.00 1.39 C ATOM 1182 CG GLU A 76 4.342 7.449 5.705 1.00 1.93 C ATOM 1183 CD GLU A 76 3.321 8.576 5.837 1.00 2.50 C ATOM 1184 OE1 GLU A 76 2.265 8.357 6.470 1.00 3.56 O ATOM 1185 OE2 GLU A 76 3.437 9.586 5.110 1.00 3.06 O ATOM 0 H GLU A 76 3.754 8.786 3.451 1.00 1.60 H new ATOM 0 HA GLU A 76 4.321 6.001 2.745 1.00 1.19 H new ATOM 0 HB2 GLU A 76 2.774 6.105 5.141 1.00 1.39 H new ATOM 0 HB3 GLU A 76 4.388 5.468 4.895 1.00 1.39 H new ATOM 0 HG2 GLU A 76 4.570 7.031 6.686 1.00 1.93 H new ATOM 0 HG3 GLU A 76 5.277 7.834 5.297 1.00 1.93 H new ATOM 1192 N LEU A 77 1.973 5.217 2.407 1.00 0.78 N ATOM 1193 CA LEU A 77 0.640 4.633 2.328 1.00 0.75 C ATOM 1194 C LEU A 77 0.110 4.494 3.770 1.00 1.04 C ATOM 1195 O LEU A 77 0.164 3.422 4.374 1.00 2.06 O ATOM 1196 CB LEU A 77 0.725 3.302 1.539 1.00 0.58 C ATOM 1197 CG LEU A 77 0.952 3.445 0.017 1.00 0.55 C ATOM 1198 CD1 LEU A 77 2.412 3.747 -0.365 1.00 0.71 C ATOM 1199 CD2 LEU A 77 0.548 2.145 -0.689 1.00 0.85 C ATOM 0 H LEU A 77 2.705 4.552 2.159 1.00 0.78 H new ATOM 0 HA LEU A 77 -0.070 5.255 1.783 1.00 0.75 H new ATOM 0 HB2 LEU A 77 1.536 2.704 1.955 1.00 0.58 H new ATOM 0 HB3 LEU A 77 -0.198 2.744 1.700 1.00 0.58 H new ATOM 0 HG LEU A 77 0.340 4.291 -0.297 1.00 0.55 H new ATOM 0 HD11 LEU A 77 2.494 3.834 -1.448 1.00 0.71 H new ATOM 0 HD12 LEU A 77 2.723 4.683 0.099 1.00 0.71 H new ATOM 0 HD13 LEU A 77 3.054 2.938 -0.016 1.00 0.71 H new ATOM 0 HD21 LEU A 77 0.709 2.249 -1.762 1.00 0.85 H new ATOM 0 HD22 LEU A 77 1.153 1.322 -0.309 1.00 0.85 H new ATOM 0 HD23 LEU A 77 -0.505 1.940 -0.498 1.00 0.85 H new ATOM 1211 N LYS A 78 -0.289 5.625 4.365 1.00 0.94 N ATOM 1212 CA LYS A 78 -0.635 5.743 5.792 1.00 1.01 C ATOM 1213 C LYS A 78 -1.772 4.795 6.247 1.00 0.93 C ATOM 1214 O LYS A 78 -2.765 4.680 5.525 1.00 0.97 O ATOM 1215 CB LYS A 78 -0.953 7.209 6.169 1.00 1.31 C ATOM 1216 CG LYS A 78 -2.017 7.964 5.345 1.00 1.35 C ATOM 1217 CD LYS A 78 -1.536 8.715 4.088 1.00 2.00 C ATOM 1218 CE LYS A 78 -0.588 9.905 4.347 1.00 1.85 C ATOM 1219 NZ LYS A 78 0.832 9.500 4.439 1.00 2.32 N ATOM 0 H LYS A 78 -0.383 6.505 3.858 1.00 0.94 H new ATOM 0 HA LYS A 78 0.253 5.421 6.335 1.00 1.01 H new ATOM 0 HB2 LYS A 78 -1.270 7.222 7.212 1.00 1.31 H new ATOM 0 HB3 LYS A 78 -0.024 7.776 6.111 1.00 1.31 H new ATOM 0 HG2 LYS A 78 -2.778 7.246 5.039 1.00 1.35 H new ATOM 0 HG3 LYS A 78 -2.504 8.684 6.002 1.00 1.35 H new ATOM 0 HD2 LYS A 78 -1.030 8.005 3.434 1.00 2.00 H new ATOM 0 HD3 LYS A 78 -2.409 9.080 3.548 1.00 2.00 H new ATOM 0 HE2 LYS A 78 -0.701 10.635 3.545 1.00 1.85 H new ATOM 0 HE3 LYS A 78 -0.880 10.401 5.273 1.00 1.85 H new ATOM 0 HZ1 LYS A 78 1.440 10.307 4.191 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 1.043 9.193 5.410 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 1.012 8.715 3.781 1.00 2.32 H new ATOM 1233 N PRO A 79 -1.711 4.218 7.474 1.00 1.15 N ATOM 1234 CA PRO A 79 -2.598 3.144 7.964 1.00 1.45 C ATOM 1235 C PRO A 79 -4.113 3.425 7.999 1.00 1.64 C ATOM 1236 O PRO A 79 -4.881 2.483 8.204 1.00 2.74 O ATOM 1237 CB PRO A 79 -2.063 2.752 9.349 1.00 1.80 C ATOM 1238 CG PRO A 79 -1.252 3.962 9.792 1.00 1.69 C ATOM 1239 CD PRO A 79 -0.681 4.470 8.474 1.00 1.44 C ATOM 0 HA PRO A 79 -2.556 2.337 7.233 1.00 1.45 H new ATOM 0 HB2 PRO A 79 -2.875 2.541 10.045 1.00 1.80 H new ATOM 0 HB3 PRO A 79 -1.445 1.855 9.298 1.00 1.80 H new ATOM 0 HG2 PRO A 79 -1.874 4.711 10.282 1.00 1.69 H new ATOM 0 HG3 PRO A 79 -0.467 3.689 10.497 1.00 1.69 H new ATOM 0 HD2 PRO A 79 -0.445 5.532 8.533 1.00 1.44 H new ATOM 0 HD3 PRO A 79 0.244 3.951 8.222 1.00 1.44 H new ATOM 1247 N GLY A 80 -4.555 4.676 7.793 1.00 1.10 N ATOM 1248 CA GLY A 80 -5.971 5.052 7.648 1.00 1.54 C ATOM 1249 C GLY A 80 -6.370 5.603 6.269 1.00 1.78 C ATOM 1250 O GLY A 80 -7.517 5.999 6.106 1.00 2.76 O ATOM 0 H GLY A 80 -3.923 5.473 7.721 1.00 1.10 H new ATOM 0 HA2 GLY A 80 -6.585 4.177 7.862 1.00 1.54 H new ATOM 0 HA3 GLY A 80 -6.209 5.802 8.403 1.00 1.54 H new ATOM 1254 N GLY A 81 -5.449 5.659 5.297 1.00 1.19 N ATOM 1255 CA GLY A 81 -5.644 6.304 3.988 1.00 1.16 C ATOM 1256 C GLY A 81 -5.233 5.418 2.816 1.00 1.19 C ATOM 1257 O GLY A 81 -5.873 4.405 2.531 1.00 1.97 O ATOM 0 H GLY A 81 -4.522 5.246 5.401 1.00 1.19 H new ATOM 0 HA2 GLY A 81 -6.693 6.578 3.878 1.00 1.16 H new ATOM 0 HA3 GLY A 81 -5.068 7.229 3.956 1.00 1.16 H new ATOM 1261 N TYR A 82 -4.164 5.799 2.115 1.00 0.68 N ATOM 1262 CA TYR A 82 -3.731 5.081 0.913 1.00 0.58 C ATOM 1263 C TYR A 82 -3.104 3.729 1.258 1.00 0.56 C ATOM 1264 O TYR A 82 -2.438 3.581 2.279 1.00 0.64 O ATOM 1265 CB TYR A 82 -2.722 5.904 0.115 1.00 0.60 C ATOM 1266 CG TYR A 82 -3.311 7.080 -0.636 1.00 0.64 C ATOM 1267 CD1 TYR A 82 -3.496 8.327 -0.006 1.00 1.69 C ATOM 1268 CD2 TYR A 82 -3.652 6.924 -1.989 1.00 1.81 C ATOM 1269 CE1 TYR A 82 -4.013 9.418 -0.734 1.00 1.64 C ATOM 1270 CE2 TYR A 82 -4.122 8.020 -2.728 1.00 1.90 C ATOM 1271 CZ TYR A 82 -4.311 9.272 -2.111 1.00 0.72 C ATOM 1272 OH TYR A 82 -4.779 10.315 -2.848 1.00 0.81 O ATOM 0 H TYR A 82 -3.582 6.600 2.358 1.00 0.68 H new ATOM 0 HA TYR A 82 -4.624 4.914 0.310 1.00 0.58 H new ATOM 0 HB2 TYR A 82 -1.956 6.274 0.797 1.00 0.60 H new ATOM 0 HB3 TYR A 82 -2.224 5.248 -0.599 1.00 0.60 H new ATOM 0 HD1 TYR A 82 -3.241 8.447 1.037 1.00 1.69 H new ATOM 0 HD2 TYR A 82 -3.552 5.958 -2.462 1.00 1.81 H new ATOM 0 HE1 TYR A 82 -4.182 10.365 -0.242 1.00 1.64 H new ATOM 0 HE2 TYR A 82 -4.341 7.903 -3.779 1.00 1.90 H new ATOM 0 HH TYR A 82 -4.925 10.023 -3.772 1.00 0.81 H new ATOM 1282 N HIS A 83 -3.364 2.739 0.413 1.00 0.51 N ATOM 1283 CA HIS A 83 -2.954 1.348 0.612 1.00 0.52 C ATOM 1284 C HIS A 83 -2.962 0.562 -0.694 1.00 0.54 C ATOM 1285 O HIS A 83 -3.738 0.869 -1.601 1.00 0.64 O ATOM 1286 CB HIS A 83 -3.857 0.655 1.638 1.00 0.67 C ATOM 1287 CG HIS A 83 -5.319 0.614 1.291 1.00 0.73 C ATOM 1288 ND1 HIS A 83 -6.195 1.663 1.433 1.00 0.71 N ATOM 1289 CD2 HIS A 83 -6.022 -0.442 0.774 1.00 0.76 C ATOM 1290 CE1 HIS A 83 -7.391 1.262 0.988 1.00 0.72 C ATOM 1291 NE2 HIS A 83 -7.344 -0.022 0.603 1.00 0.75 N ATOM 0 H HIS A 83 -3.880 2.882 -0.455 1.00 0.51 H new ATOM 0 HA HIS A 83 -1.932 1.369 0.990 1.00 0.52 H new ATOM 0 HB2 HIS A 83 -3.505 -0.368 1.774 1.00 0.67 H new ATOM 0 HB3 HIS A 83 -3.743 1.161 2.597 1.00 0.67 H new ATOM 0 HD1 HIS A 83 -5.973 2.584 1.811 1.00 0.71 H new ATOM 0 HD2 HIS A 83 -5.627 -1.420 0.541 1.00 0.76 H new ATOM 0 HE1 HIS A 83 -8.272 1.885 0.945 1.00 0.72 H new ATOM 1299 N PHE A 84 -2.191 -0.524 -0.742 1.00 0.48 N ATOM 1300 CA PHE A 84 -2.489 -1.607 -1.670 1.00 0.48 C ATOM 1301 C PHE A 84 -3.587 -2.489 -1.065 1.00 0.44 C ATOM 1302 O PHE A 84 -3.517 -2.830 0.110 1.00 0.52 O ATOM 1303 CB PHE A 84 -1.221 -2.406 -1.979 1.00 0.50 C ATOM 1304 CG PHE A 84 -0.185 -1.574 -2.705 1.00 0.54 C ATOM 1305 CD1 PHE A 84 -0.416 -1.192 -4.038 1.00 1.71 C ATOM 1306 CD2 PHE A 84 0.966 -1.116 -2.035 1.00 2.20 C ATOM 1307 CE1 PHE A 84 0.494 -0.352 -4.694 1.00 1.60 C ATOM 1308 CE2 PHE A 84 1.882 -0.280 -2.696 1.00 2.35 C ATOM 1309 CZ PHE A 84 1.638 0.112 -4.024 1.00 0.79 C ATOM 0 H PHE A 84 -1.368 -0.674 -0.158 1.00 0.48 H new ATOM 0 HA PHE A 84 -2.850 -1.203 -2.616 1.00 0.48 H new ATOM 0 HB2 PHE A 84 -0.795 -2.783 -1.049 1.00 0.50 H new ATOM 0 HB3 PHE A 84 -1.479 -3.274 -2.586 1.00 0.50 H new ATOM 0 HD1 PHE A 84 -1.295 -1.546 -4.557 1.00 1.71 H new ATOM 0 HD2 PHE A 84 1.145 -1.408 -1.011 1.00 2.20 H new ATOM 0 HE1 PHE A 84 0.315 -0.060 -5.718 1.00 1.60 H new ATOM 0 HE2 PHE A 84 2.771 0.060 -2.185 1.00 2.35 H new ATOM 0 HZ PHE A 84 2.330 0.770 -4.529 1.00 0.79 H new ATOM 1319 N MET A 85 -4.585 -2.872 -1.852 1.00 0.43 N ATOM 1320 CA MET A 85 -5.615 -3.870 -1.556 1.00 0.37 C ATOM 1321 C MET A 85 -5.242 -5.176 -2.264 1.00 0.39 C ATOM 1322 O MET A 85 -5.001 -5.178 -3.469 1.00 0.45 O ATOM 1323 CB MET A 85 -6.974 -3.354 -2.011 1.00 0.45 C ATOM 1324 CG MET A 85 -8.125 -4.209 -1.453 1.00 0.63 C ATOM 1325 SD MET A 85 -9.253 -3.331 -0.319 1.00 1.06 S ATOM 1326 CE MET A 85 -9.018 -4.231 1.243 1.00 0.59 C ATOM 0 H MET A 85 -4.708 -2.467 -2.780 1.00 0.43 H new ATOM 0 HA MET A 85 -5.676 -4.057 -0.484 1.00 0.37 H new ATOM 0 HB2 MET A 85 -7.098 -2.321 -1.686 1.00 0.45 H new ATOM 0 HB3 MET A 85 -7.017 -3.353 -3.100 1.00 0.45 H new ATOM 0 HG2 MET A 85 -8.705 -4.601 -2.288 1.00 0.63 H new ATOM 0 HG3 MET A 85 -7.701 -5.066 -0.929 1.00 0.63 H new ATOM 0 HE1 MET A 85 -9.163 -3.549 2.081 1.00 0.59 H new ATOM 0 HE2 MET A 85 -9.741 -5.044 1.307 1.00 0.59 H new ATOM 0 HE3 MET A 85 -8.008 -4.640 1.279 1.00 0.59 H new ATOM 1336 N LEU A 86 -5.177 -6.274 -1.513 1.00 0.48 N ATOM 1337 CA LEU A 86 -4.756 -7.583 -2.008 1.00 0.59 C ATOM 1338 C LEU A 86 -5.924 -8.567 -1.932 1.00 0.57 C ATOM 1339 O LEU A 86 -6.388 -8.908 -0.848 1.00 0.54 O ATOM 1340 CB LEU A 86 -3.559 -8.085 -1.183 1.00 0.66 C ATOM 1341 CG LEU A 86 -2.202 -7.354 -1.349 1.00 0.76 C ATOM 1342 CD1 LEU A 86 -1.908 -6.802 -2.739 1.00 2.61 C ATOM 1343 CD2 LEU A 86 -2.005 -6.250 -0.296 1.00 2.15 C ATOM 0 H LEU A 86 -5.421 -6.278 -0.523 1.00 0.48 H new ATOM 0 HA LEU A 86 -4.448 -7.499 -3.050 1.00 0.59 H new ATOM 0 HB2 LEU A 86 -3.836 -8.039 -0.130 1.00 0.66 H new ATOM 0 HB3 LEU A 86 -3.404 -9.136 -1.426 1.00 0.66 H new ATOM 0 HG LEU A 86 -1.476 -8.151 -1.191 1.00 0.76 H new ATOM 0 HD11 LEU A 86 -0.934 -6.312 -2.738 1.00 2.61 H new ATOM 0 HD12 LEU A 86 -1.903 -7.618 -3.461 1.00 2.61 H new ATOM 0 HD13 LEU A 86 -2.677 -6.080 -3.014 1.00 2.61 H new ATOM 0 HD21 LEU A 86 -1.041 -5.766 -0.452 1.00 2.15 H new ATOM 0 HD22 LEU A 86 -2.801 -5.511 -0.390 1.00 2.15 H new ATOM 0 HD23 LEU A 86 -2.033 -6.689 0.701 1.00 2.15 H new ATOM 1355 N LEU A 87 -6.413 -9.002 -3.089 1.00 0.76 N ATOM 1356 CA LEU A 87 -7.532 -9.923 -3.257 1.00 0.76 C ATOM 1357 C LEU A 87 -7.024 -11.357 -3.487 1.00 0.77 C ATOM 1358 O LEU A 87 -5.940 -11.598 -4.032 1.00 0.82 O ATOM 1359 CB LEU A 87 -8.402 -9.468 -4.450 1.00 0.87 C ATOM 1360 CG LEU A 87 -9.205 -8.147 -4.365 1.00 0.93 C ATOM 1361 CD1 LEU A 87 -10.247 -8.179 -3.242 1.00 1.88 C ATOM 1362 CD2 LEU A 87 -8.343 -6.889 -4.209 1.00 2.09 C ATOM 0 H LEU A 87 -6.019 -8.706 -3.982 1.00 0.76 H new ATOM 0 HA LEU A 87 -8.134 -9.916 -2.348 1.00 0.76 H new ATOM 0 HB2 LEU A 87 -7.747 -9.394 -5.318 1.00 0.87 H new ATOM 0 HB3 LEU A 87 -9.114 -10.267 -4.655 1.00 0.87 H new ATOM 0 HG LEU A 87 -9.703 -8.081 -5.333 1.00 0.93 H new ATOM 0 HD11 LEU A 87 -10.787 -7.232 -3.219 1.00 1.88 H new ATOM 0 HD12 LEU A 87 -10.950 -8.993 -3.421 1.00 1.88 H new ATOM 0 HD13 LEU A 87 -9.747 -8.335 -2.286 1.00 1.88 H new ATOM 0 HD21 LEU A 87 -8.987 -6.011 -4.158 1.00 2.09 H new ATOM 0 HD22 LEU A 87 -7.755 -6.962 -3.294 1.00 2.09 H new ATOM 0 HD23 LEU A 87 -7.673 -6.798 -5.064 1.00 2.09 H new ATOM 1374 N GLY A 88 -7.859 -12.314 -3.083 1.00 0.84 N ATOM 1375 CA GLY A 88 -7.713 -13.767 -3.251 1.00 1.00 C ATOM 1376 C GLY A 88 -6.849 -14.424 -2.171 1.00 1.44 C ATOM 1377 O GLY A 88 -7.276 -15.390 -1.552 1.00 3.03 O ATOM 0 H GLY A 88 -8.722 -12.080 -2.592 1.00 0.84 H new ATOM 0 HA2 GLY A 88 -8.701 -14.227 -3.243 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.275 -13.969 -4.228 1.00 1.00 H new ATOM 1381 N LEU A 89 -5.658 -13.851 -1.959 1.00 0.51 N ATOM 1382 CA LEU A 89 -4.597 -14.256 -1.042 1.00 0.52 C ATOM 1383 C LEU A 89 -4.049 -15.683 -1.243 1.00 0.53 C ATOM 1384 O LEU A 89 -4.574 -16.508 -1.981 1.00 0.72 O ATOM 1385 CB LEU A 89 -5.059 -14.058 0.399 1.00 0.67 C ATOM 1386 CG LEU A 89 -5.649 -12.687 0.773 1.00 0.69 C ATOM 1387 CD1 LEU A 89 -5.989 -12.744 2.261 1.00 1.00 C ATOM 1388 CD2 LEU A 89 -4.691 -11.519 0.511 1.00 0.50 C ATOM 0 H LEU A 89 -5.392 -13.013 -2.477 1.00 0.51 H new ATOM 0 HA LEU A 89 -3.753 -13.607 -1.274 1.00 0.52 H new ATOM 0 HB2 LEU A 89 -5.808 -14.818 0.620 1.00 0.67 H new ATOM 0 HB3 LEU A 89 -4.209 -14.249 1.054 1.00 0.67 H new ATOM 0 HG LEU A 89 -6.524 -12.502 0.149 1.00 0.69 H new ATOM 0 HD11 LEU A 89 -6.412 -11.790 2.574 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -6.714 -13.538 2.438 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -5.084 -12.945 2.834 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -5.171 -10.583 0.797 1.00 0.50 H new ATOM 0 HD22 LEU A 89 -3.783 -11.655 1.098 1.00 0.50 H new ATOM 0 HD23 LEU A 89 -4.437 -11.487 -0.549 1.00 0.50 H new ATOM 1400 N LYS A 90 -2.939 -15.945 -0.555 1.00 0.66 N ATOM 1401 CA LYS A 90 -2.228 -17.230 -0.456 1.00 0.83 C ATOM 1402 C LYS A 90 -1.934 -17.683 0.992 1.00 1.05 C ATOM 1403 O LYS A 90 -1.701 -18.866 1.243 1.00 1.19 O ATOM 1404 CB LYS A 90 -0.892 -17.072 -1.171 1.00 0.92 C ATOM 1405 CG LYS A 90 -0.945 -16.550 -2.618 1.00 0.83 C ATOM 1406 CD LYS A 90 -1.728 -17.472 -3.542 1.00 1.17 C ATOM 1407 CE LYS A 90 -1.742 -16.956 -4.983 1.00 1.21 C ATOM 1408 NZ LYS A 90 -2.589 -17.790 -5.869 1.00 1.70 N ATOM 0 H LYS A 90 -2.476 -15.217 -0.012 1.00 0.66 H new ATOM 0 HA LYS A 90 -2.875 -17.987 -0.899 1.00 0.83 H new ATOM 0 HB2 LYS A 90 -0.270 -16.394 -0.586 1.00 0.92 H new ATOM 0 HB3 LYS A 90 -0.391 -18.040 -1.176 1.00 0.92 H new ATOM 0 HG2 LYS A 90 -1.400 -15.560 -2.627 1.00 0.83 H new ATOM 0 HG3 LYS A 90 0.071 -16.437 -2.998 1.00 0.83 H new ATOM 0 HD2 LYS A 90 -1.289 -18.469 -3.517 1.00 1.17 H new ATOM 0 HD3 LYS A 90 -2.752 -17.566 -3.180 1.00 1.17 H new ATOM 0 HE2 LYS A 90 -2.107 -15.929 -4.996 1.00 1.21 H new ATOM 0 HE3 LYS A 90 -0.723 -16.937 -5.370 1.00 1.21 H new ATOM 0 HZ1 LYS A 90 -2.437 -17.510 -6.859 1.00 1.70 H new ATOM 0 HZ2 LYS A 90 -2.335 -18.791 -5.750 1.00 1.70 H new ATOM 0 HZ3 LYS A 90 -3.590 -17.655 -5.621 1.00 1.70 H new ATOM 1422 N ARG A 91 -1.882 -16.729 1.926 1.00 1.11 N ATOM 1423 CA ARG A 91 -1.642 -16.898 3.362 1.00 1.23 C ATOM 1424 C ARG A 91 -2.710 -16.132 4.166 1.00 1.24 C ATOM 1425 O ARG A 91 -3.155 -15.090 3.682 1.00 1.20 O ATOM 1426 CB ARG A 91 -0.267 -16.298 3.718 1.00 1.38 C ATOM 1427 CG ARG A 91 0.950 -17.079 3.190 1.00 1.27 C ATOM 1428 CD ARG A 91 1.129 -18.468 3.820 1.00 2.05 C ATOM 1429 NE ARG A 91 1.454 -18.393 5.256 1.00 3.05 N ATOM 1430 CZ ARG A 91 1.628 -19.398 6.100 1.00 4.30 C ATOM 1431 NH1 ARG A 91 1.493 -20.651 5.724 1.00 4.96 N ATOM 1432 NH2 ARG A 91 1.941 -19.143 7.347 1.00 5.32 N ATOM 0 H ARG A 91 -2.016 -15.748 1.681 1.00 1.11 H new ATOM 0 HA ARG A 91 -1.679 -17.960 3.603 1.00 1.23 H new ATOM 0 HB2 ARG A 91 -0.221 -15.281 3.329 1.00 1.38 H new ATOM 0 HB3 ARG A 91 -0.190 -16.228 4.803 1.00 1.38 H new ATOM 0 HG2 ARG A 91 0.854 -17.192 2.110 1.00 1.27 H new ATOM 0 HG3 ARG A 91 1.850 -16.492 3.371 1.00 1.27 H new ATOM 0 HD2 ARG A 91 0.214 -19.046 3.686 1.00 2.05 H new ATOM 0 HD3 ARG A 91 1.923 -19.002 3.297 1.00 2.05 H new ATOM 0 HE ARG A 91 1.557 -17.456 5.645 1.00 3.05 H new ATOM 0 HH11 ARG A 91 1.248 -20.870 4.758 1.00 4.96 H new ATOM 0 HH12 ARG A 91 1.634 -21.404 6.398 1.00 4.96 H new ATOM 0 HH21 ARG A 91 2.048 -18.178 7.659 1.00 5.32 H new ATOM 0 HH22 ARG A 91 2.077 -19.910 8.006 1.00 5.32 H new ATOM 1446 N PRO A 92 -3.063 -16.583 5.384 1.00 1.43 N ATOM 1447 CA PRO A 92 -3.780 -15.762 6.345 1.00 1.51 C ATOM 1448 C PRO A 92 -2.799 -14.749 6.949 1.00 1.67 C ATOM 1449 O PRO A 92 -1.765 -15.126 7.493 1.00 1.99 O ATOM 1450 CB PRO A 92 -4.324 -16.749 7.380 1.00 1.77 C ATOM 1451 CG PRO A 92 -3.281 -17.870 7.394 1.00 1.93 C ATOM 1452 CD PRO A 92 -2.740 -17.881 5.963 1.00 1.70 C ATOM 0 HA PRO A 92 -4.598 -15.184 5.915 1.00 1.51 H new ATOM 0 HB2 PRO A 92 -4.427 -16.285 8.361 1.00 1.77 H new ATOM 0 HB3 PRO A 92 -5.309 -17.122 7.099 1.00 1.77 H new ATOM 0 HG2 PRO A 92 -2.491 -17.673 8.119 1.00 1.93 H new ATOM 0 HG3 PRO A 92 -3.727 -18.828 7.661 1.00 1.93 H new ATOM 0 HD2 PRO A 92 -1.663 -18.050 5.957 1.00 1.70 H new ATOM 0 HD3 PRO A 92 -3.192 -18.686 5.384 1.00 1.70 H new ATOM 1460 N LEU A 93 -3.124 -13.462 6.847 1.00 1.73 N ATOM 1461 CA LEU A 93 -2.336 -12.369 7.412 1.00 2.06 C ATOM 1462 C LEU A 93 -2.633 -12.277 8.914 1.00 2.03 C ATOM 1463 O LEU A 93 -3.732 -11.903 9.326 1.00 2.38 O ATOM 1464 CB LEU A 93 -2.651 -11.032 6.690 1.00 2.51 C ATOM 1465 CG LEU A 93 -2.126 -10.806 5.257 1.00 1.85 C ATOM 1466 CD1 LEU A 93 -0.597 -10.822 5.173 1.00 1.97 C ATOM 1467 CD2 LEU A 93 -2.708 -11.782 4.233 1.00 1.60 C ATOM 0 H LEU A 93 -3.961 -13.143 6.359 1.00 1.73 H new ATOM 0 HA LEU A 93 -1.274 -12.566 7.268 1.00 2.06 H new ATOM 0 HB2 LEU A 93 -3.735 -10.922 6.663 1.00 2.51 H new ATOM 0 HB3 LEU A 93 -2.264 -10.225 7.312 1.00 2.51 H new ATOM 0 HG LEU A 93 -2.475 -9.806 5.000 1.00 1.85 H new ATOM 0 HD11 LEU A 93 -0.288 -10.658 4.141 1.00 1.97 H new ATOM 0 HD12 LEU A 93 -0.190 -10.032 5.804 1.00 1.97 H new ATOM 0 HD13 LEU A 93 -0.224 -11.788 5.514 1.00 1.97 H new ATOM 0 HD21 LEU A 93 -2.295 -11.565 3.248 1.00 1.60 H new ATOM 0 HD22 LEU A 93 -2.452 -12.803 4.517 1.00 1.60 H new ATOM 0 HD23 LEU A 93 -3.792 -11.675 4.204 1.00 1.60 H new ATOM 1479 N LYS A 94 -1.625 -12.573 9.732 1.00 1.81 N ATOM 1480 CA LYS A 94 -1.634 -12.399 11.184 1.00 1.79 C ATOM 1481 C LYS A 94 -0.255 -11.990 11.696 1.00 1.16 C ATOM 1482 O LYS A 94 0.752 -12.168 11.006 1.00 1.51 O ATOM 1483 CB LYS A 94 -2.174 -13.667 11.887 1.00 2.36 C ATOM 1484 CG LYS A 94 -1.453 -14.994 11.578 1.00 1.99 C ATOM 1485 CD LYS A 94 -0.069 -15.205 12.221 1.00 2.39 C ATOM 1486 CE LYS A 94 0.578 -16.470 11.647 1.00 2.69 C ATOM 1487 NZ LYS A 94 2.057 -16.459 11.778 1.00 3.68 N ATOM 0 H LYS A 94 -0.744 -12.956 9.388 1.00 1.81 H new ATOM 0 HA LYS A 94 -2.315 -11.584 11.431 1.00 1.79 H new ATOM 0 HB2 LYS A 94 -2.134 -13.501 12.964 1.00 2.36 H new ATOM 0 HB3 LYS A 94 -3.225 -13.781 11.621 1.00 2.36 H new ATOM 0 HG2 LYS A 94 -2.101 -15.812 11.892 1.00 1.99 H new ATOM 0 HG3 LYS A 94 -1.340 -15.074 10.497 1.00 1.99 H new ATOM 0 HD2 LYS A 94 0.567 -14.341 12.030 1.00 2.39 H new ATOM 0 HD3 LYS A 94 -0.169 -15.295 13.303 1.00 2.39 H new ATOM 0 HE2 LYS A 94 0.177 -17.344 12.160 1.00 2.69 H new ATOM 0 HE3 LYS A 94 0.310 -16.567 10.595 1.00 2.69 H new ATOM 0 HZ1 LYS A 94 2.489 -16.433 10.832 1.00 3.68 H new ATOM 0 HZ2 LYS A 94 2.352 -15.619 12.316 1.00 3.68 H new ATOM 0 HZ3 LYS A 94 2.368 -17.317 12.277 1.00 3.68 H new ATOM 1501 N ALA A 95 -0.201 -11.527 12.939 1.00 1.13 N ATOM 1502 CA ALA A 95 1.018 -11.087 13.588 1.00 1.05 C ATOM 1503 C ALA A 95 2.059 -12.211 13.620 1.00 0.95 C ATOM 1504 O ALA A 95 1.786 -13.324 14.071 1.00 1.04 O ATOM 1505 CB ALA A 95 0.663 -10.556 14.986 1.00 1.44 C ATOM 0 H ALA A 95 -1.026 -11.447 13.534 1.00 1.13 H new ATOM 0 HA ALA A 95 1.478 -10.277 13.022 1.00 1.05 H new ATOM 0 HB1 ALA A 95 1.570 -10.220 15.489 1.00 1.44 H new ATOM 0 HB2 ALA A 95 -0.031 -9.720 14.892 1.00 1.44 H new ATOM 0 HB3 ALA A 95 0.197 -11.350 15.569 1.00 1.44 H new ATOM 1511 N GLY A 96 3.233 -11.925 13.065 1.00 1.18 N ATOM 1512 CA GLY A 96 4.310 -12.906 12.894 1.00 1.66 C ATOM 1513 C GLY A 96 4.108 -13.845 11.700 1.00 1.97 C ATOM 1514 O GLY A 96 4.578 -14.978 11.731 1.00 2.64 O ATOM 0 H GLY A 96 3.470 -10.996 12.716 1.00 1.18 H new ATOM 0 HA2 GLY A 96 5.255 -12.377 12.772 1.00 1.66 H new ATOM 0 HA3 GLY A 96 4.394 -13.502 13.803 1.00 1.66 H new ATOM 1518 N GLU A 97 3.369 -13.429 10.671 1.00 1.79 N ATOM 1519 CA GLU A 97 3.829 -13.615 9.294 1.00 1.84 C ATOM 1520 C GLU A 97 4.717 -12.422 8.904 1.00 1.61 C ATOM 1521 O GLU A 97 4.745 -11.391 9.588 1.00 1.51 O ATOM 1522 CB GLU A 97 2.664 -13.623 8.301 1.00 1.78 C ATOM 1523 CG GLU A 97 1.538 -14.618 8.556 1.00 2.19 C ATOM 1524 CD GLU A 97 1.944 -16.042 8.200 1.00 1.69 C ATOM 1525 OE1 GLU A 97 2.001 -16.372 7.001 1.00 2.53 O ATOM 1526 OE2 GLU A 97 2.166 -16.867 9.116 1.00 2.04 O ATOM 0 H GLU A 97 2.464 -12.968 10.761 1.00 1.79 H new ATOM 0 HA GLU A 97 4.357 -14.568 9.253 1.00 1.84 H new ATOM 0 HB2 GLU A 97 2.232 -12.622 8.279 1.00 1.78 H new ATOM 0 HB3 GLU A 97 3.068 -13.818 7.308 1.00 1.78 H new ATOM 0 HG2 GLU A 97 1.247 -14.575 9.606 1.00 2.19 H new ATOM 0 HG3 GLU A 97 0.663 -14.333 7.971 1.00 2.19 H new ATOM 1533 N GLU A 98 5.327 -12.537 7.727 1.00 1.62 N ATOM 1534 CA GLU A 98 6.089 -11.552 6.998 1.00 1.42 C ATOM 1535 C GLU A 98 5.778 -11.815 5.518 1.00 1.35 C ATOM 1536 O GLU A 98 5.291 -12.886 5.143 1.00 1.72 O ATOM 1537 CB GLU A 98 7.594 -11.678 7.274 1.00 1.61 C ATOM 1538 CG GLU A 98 7.972 -11.394 8.738 1.00 2.09 C ATOM 1539 CD GLU A 98 9.211 -10.512 8.819 1.00 2.26 C ATOM 1540 OE1 GLU A 98 9.065 -9.329 8.435 1.00 3.13 O ATOM 1541 OE2 GLU A 98 10.266 -11.018 9.252 1.00 2.77 O ATOM 0 H GLU A 98 5.290 -13.419 7.215 1.00 1.62 H new ATOM 0 HA GLU A 98 5.819 -10.540 7.300 1.00 1.42 H new ATOM 0 HB2 GLU A 98 7.921 -12.684 7.010 1.00 1.61 H new ATOM 0 HB3 GLU A 98 8.134 -10.987 6.626 1.00 1.61 H new ATOM 0 HG2 GLU A 98 7.139 -10.906 9.244 1.00 2.09 H new ATOM 0 HG3 GLU A 98 8.155 -12.334 9.259 1.00 2.09 H new ATOM 1548 N VAL A 99 5.996 -10.797 4.703 1.00 0.96 N ATOM 1549 CA VAL A 99 5.587 -10.705 3.292 1.00 0.85 C ATOM 1550 C VAL A 99 6.569 -9.820 2.515 1.00 0.65 C ATOM 1551 O VAL A 99 7.072 -8.831 3.039 1.00 0.75 O ATOM 1552 CB VAL A 99 4.160 -10.110 3.189 1.00 0.94 C ATOM 1553 CG1 VAL A 99 3.710 -9.906 1.738 1.00 1.29 C ATOM 1554 CG2 VAL A 99 3.085 -10.958 3.900 1.00 1.31 C ATOM 0 H VAL A 99 6.490 -9.961 5.015 1.00 0.96 H new ATOM 0 HA VAL A 99 5.590 -11.707 2.862 1.00 0.85 H new ATOM 0 HB VAL A 99 4.243 -9.147 3.693 1.00 0.94 H new ATOM 0 HG11 VAL A 99 2.704 -9.487 1.725 1.00 1.29 H new ATOM 0 HG12 VAL A 99 4.395 -9.221 1.238 1.00 1.29 H new ATOM 0 HG13 VAL A 99 3.711 -10.864 1.219 1.00 1.29 H new ATOM 0 HG21 VAL A 99 2.112 -10.481 3.787 1.00 1.31 H new ATOM 0 HG22 VAL A 99 3.055 -11.954 3.457 1.00 1.31 H new ATOM 0 HG23 VAL A 99 3.328 -11.039 4.959 1.00 1.31 H new ATOM 1564 N GLU A 100 6.795 -10.139 1.240 1.00 0.67 N ATOM 1565 CA GLU A 100 7.460 -9.238 0.291 1.00 0.58 C ATOM 1566 C GLU A 100 6.422 -8.457 -0.523 1.00 0.46 C ATOM 1567 O GLU A 100 5.449 -9.048 -0.996 1.00 0.52 O ATOM 1568 CB GLU A 100 8.360 -10.009 -0.687 1.00 0.88 C ATOM 1569 CG GLU A 100 9.519 -10.739 -0.003 1.00 1.43 C ATOM 1570 CD GLU A 100 10.546 -11.196 -1.037 1.00 1.66 C ATOM 1571 OE1 GLU A 100 10.265 -12.124 -1.827 1.00 2.04 O ATOM 1572 OE2 GLU A 100 11.628 -10.583 -1.145 1.00 2.64 O ATOM 0 H GLU A 100 6.522 -11.033 0.832 1.00 0.67 H new ATOM 0 HA GLU A 100 8.074 -8.555 0.878 1.00 0.58 H new ATOM 0 HB2 GLU A 100 7.755 -10.734 -1.231 1.00 0.88 H new ATOM 0 HB3 GLU A 100 8.763 -9.314 -1.423 1.00 0.88 H new ATOM 0 HG2 GLU A 100 9.994 -10.080 0.724 1.00 1.43 H new ATOM 0 HG3 GLU A 100 9.140 -11.600 0.548 1.00 1.43 H new ATOM 1579 N LEU A 101 6.658 -7.157 -0.736 1.00 0.51 N ATOM 1580 CA LEU A 101 6.035 -6.394 -1.826 1.00 0.47 C ATOM 1581 C LEU A 101 7.103 -5.920 -2.821 1.00 0.43 C ATOM 1582 O LEU A 101 8.164 -5.415 -2.443 1.00 0.50 O ATOM 1583 CB LEU A 101 5.196 -5.198 -1.322 1.00 0.55 C ATOM 1584 CG LEU A 101 3.690 -5.491 -1.151 1.00 0.76 C ATOM 1585 CD1 LEU A 101 3.368 -6.343 0.082 1.00 1.47 C ATOM 1586 CD2 LEU A 101 2.899 -4.181 -1.049 1.00 1.71 C ATOM 0 H LEU A 101 7.288 -6.602 -0.156 1.00 0.51 H new ATOM 0 HA LEU A 101 5.343 -7.069 -2.329 1.00 0.47 H new ATOM 0 HB2 LEU A 101 5.599 -4.867 -0.365 1.00 0.55 H new ATOM 0 HB3 LEU A 101 5.314 -4.369 -2.020 1.00 0.55 H new ATOM 0 HG LEU A 101 3.400 -6.059 -2.035 1.00 0.76 H new ATOM 0 HD11 LEU A 101 2.292 -6.509 0.139 1.00 1.47 H new ATOM 0 HD12 LEU A 101 3.880 -7.302 0.005 1.00 1.47 H new ATOM 0 HD13 LEU A 101 3.703 -5.824 0.980 1.00 1.47 H new ATOM 0 HD21 LEU A 101 1.839 -4.404 -0.929 1.00 1.71 H new ATOM 0 HD22 LEU A 101 3.249 -3.610 -0.189 1.00 1.71 H new ATOM 0 HD23 LEU A 101 3.046 -3.596 -1.957 1.00 1.71 H new ATOM 1598 N ASP A 102 6.762 -6.048 -4.100 1.00 0.47 N ATOM 1599 CA ASP A 102 7.517 -5.648 -5.281 1.00 0.60 C ATOM 1600 C ASP A 102 6.874 -4.379 -5.880 1.00 0.72 C ATOM 1601 O ASP A 102 5.729 -4.411 -6.324 1.00 1.02 O ATOM 1602 CB ASP A 102 7.532 -6.817 -6.294 1.00 0.95 C ATOM 1603 CG ASP A 102 7.436 -8.236 -5.694 1.00 1.58 C ATOM 1604 OD1 ASP A 102 8.435 -8.699 -5.098 1.00 2.37 O ATOM 1605 OD2 ASP A 102 6.359 -8.859 -5.855 1.00 2.56 O ATOM 0 H ASP A 102 5.871 -6.472 -4.358 1.00 0.47 H new ATOM 0 HA ASP A 102 8.550 -5.416 -5.021 1.00 0.60 H new ATOM 0 HB2 ASP A 102 6.702 -6.681 -6.988 1.00 0.95 H new ATOM 0 HB3 ASP A 102 8.450 -6.753 -6.879 1.00 0.95 H new ATOM 1610 N LEU A 103 7.558 -3.232 -5.850 1.00 0.65 N ATOM 1611 CA LEU A 103 6.969 -1.925 -6.170 1.00 0.62 C ATOM 1612 C LEU A 103 7.204 -1.551 -7.642 1.00 0.57 C ATOM 1613 O LEU A 103 8.324 -1.647 -8.149 1.00 0.63 O ATOM 1614 CB LEU A 103 7.531 -0.851 -5.221 1.00 0.63 C ATOM 1615 CG LEU A 103 6.996 -0.896 -3.772 1.00 0.72 C ATOM 1616 CD1 LEU A 103 7.347 -2.167 -2.979 1.00 0.97 C ATOM 1617 CD2 LEU A 103 7.561 0.315 -3.020 1.00 1.00 C ATOM 0 H LEU A 103 8.546 -3.182 -5.601 1.00 0.65 H new ATOM 0 HA LEU A 103 5.890 -1.985 -6.025 1.00 0.62 H new ATOM 0 HB2 LEU A 103 8.616 -0.949 -5.192 1.00 0.63 H new ATOM 0 HB3 LEU A 103 7.311 0.131 -5.641 1.00 0.63 H new ATOM 0 HG LEU A 103 5.909 -0.888 -3.851 1.00 0.72 H new ATOM 0 HD11 LEU A 103 6.925 -2.098 -1.976 1.00 0.97 H new ATOM 0 HD12 LEU A 103 6.934 -3.039 -3.487 1.00 0.97 H new ATOM 0 HD13 LEU A 103 8.430 -2.266 -2.911 1.00 0.97 H new ATOM 0 HD21 LEU A 103 7.198 0.307 -1.992 1.00 1.00 H new ATOM 0 HD22 LEU A 103 8.650 0.268 -3.020 1.00 1.00 H new ATOM 0 HD23 LEU A 103 7.237 1.232 -3.512 1.00 1.00 H new ATOM 1629 N LEU A 104 6.136 -1.098 -8.312 1.00 0.53 N ATOM 1630 CA LEU A 104 6.097 -0.803 -9.743 1.00 0.51 C ATOM 1631 C LEU A 104 6.127 0.716 -9.967 1.00 0.61 C ATOM 1632 O LEU A 104 5.142 1.429 -9.737 1.00 0.61 O ATOM 1633 CB LEU A 104 4.842 -1.458 -10.361 1.00 0.51 C ATOM 1634 CG LEU A 104 4.669 -2.966 -10.073 1.00 0.50 C ATOM 1635 CD1 LEU A 104 3.388 -3.472 -10.747 1.00 0.69 C ATOM 1636 CD2 LEU A 104 5.865 -3.806 -10.543 1.00 0.51 C ATOM 0 H LEU A 104 5.244 -0.922 -7.851 1.00 0.53 H new ATOM 0 HA LEU A 104 6.974 -1.219 -10.239 1.00 0.51 H new ATOM 0 HB2 LEU A 104 3.961 -0.932 -9.993 1.00 0.51 H new ATOM 0 HB3 LEU A 104 4.872 -1.313 -11.441 1.00 0.51 H new ATOM 0 HG LEU A 104 4.604 -3.081 -8.991 1.00 0.50 H new ATOM 0 HD11 LEU A 104 3.266 -4.536 -10.544 1.00 0.69 H new ATOM 0 HD12 LEU A 104 2.530 -2.927 -10.354 1.00 0.69 H new ATOM 0 HD13 LEU A 104 3.456 -3.314 -11.823 1.00 0.69 H new ATOM 0 HD21 LEU A 104 5.685 -4.856 -10.313 1.00 0.51 H new ATOM 0 HD22 LEU A 104 5.993 -3.687 -11.619 1.00 0.51 H new ATOM 0 HD23 LEU A 104 6.768 -3.472 -10.031 1.00 0.51 H new ATOM 1648 N PHE A 105 7.273 1.219 -10.420 1.00 0.73 N ATOM 1649 CA PHE A 105 7.532 2.642 -10.634 1.00 0.84 C ATOM 1650 C PHE A 105 7.482 2.985 -12.128 1.00 0.88 C ATOM 1651 O PHE A 105 8.322 2.520 -12.900 1.00 1.21 O ATOM 1652 CB PHE A 105 8.904 2.983 -10.055 1.00 0.90 C ATOM 1653 CG PHE A 105 9.008 2.802 -8.558 1.00 0.91 C ATOM 1654 CD1 PHE A 105 8.491 3.781 -7.686 1.00 1.64 C ATOM 1655 CD2 PHE A 105 9.631 1.653 -8.037 1.00 2.28 C ATOM 1656 CE1 PHE A 105 8.678 3.644 -6.301 1.00 1.59 C ATOM 1657 CE2 PHE A 105 9.782 1.504 -6.651 1.00 2.37 C ATOM 1658 CZ PHE A 105 9.331 2.512 -5.784 1.00 1.05 C ATOM 0 H PHE A 105 8.072 0.630 -10.656 1.00 0.73 H new ATOM 0 HA PHE A 105 6.763 3.230 -10.133 1.00 0.84 H new ATOM 0 HB2 PHE A 105 9.655 2.358 -10.538 1.00 0.90 H new ATOM 0 HB3 PHE A 105 9.143 4.017 -10.302 1.00 0.90 H new ATOM 0 HD1 PHE A 105 7.954 4.631 -8.080 1.00 1.64 H new ATOM 0 HD2 PHE A 105 9.993 0.885 -8.705 1.00 2.28 H new ATOM 0 HE1 PHE A 105 8.319 4.411 -5.631 1.00 1.59 H new ATOM 0 HE2 PHE A 105 10.245 0.614 -6.251 1.00 2.37 H new ATOM 0 HZ PHE A 105 9.486 2.417 -4.719 1.00 1.05 H new ATOM 1668 N ALA A 106 6.507 3.812 -12.520 1.00 0.69 N ATOM 1669 CA ALA A 106 6.281 4.328 -13.878 1.00 0.70 C ATOM 1670 C ALA A 106 6.223 3.228 -14.963 1.00 1.51 C ATOM 1671 O ALA A 106 6.540 3.475 -16.124 1.00 2.32 O ATOM 1672 CB ALA A 106 7.316 5.431 -14.161 1.00 1.63 C ATOM 0 H ALA A 106 5.812 4.161 -11.860 1.00 0.69 H new ATOM 0 HA ALA A 106 5.284 4.765 -13.926 1.00 0.70 H new ATOM 0 HB1 ALA A 106 7.162 5.825 -15.166 1.00 1.63 H new ATOM 0 HB2 ALA A 106 7.199 6.235 -13.434 1.00 1.63 H new ATOM 0 HB3 ALA A 106 8.321 5.016 -14.084 1.00 1.63 H new ATOM 1678 N GLY A 107 5.892 1.988 -14.575 1.00 2.59 N ATOM 1679 CA GLY A 107 5.995 0.783 -15.406 1.00 3.78 C ATOM 1680 C GLY A 107 7.424 0.239 -15.493 1.00 3.15 C ATOM 1681 O GLY A 107 7.654 -0.917 -15.152 1.00 4.45 O ATOM 0 H GLY A 107 5.533 1.791 -13.641 1.00 2.59 H new ATOM 0 HA2 GLY A 107 5.342 0.011 -15.000 1.00 3.78 H new ATOM 0 HA3 GLY A 107 5.636 1.008 -16.410 1.00 3.78 H new ATOM 1685 N GLY A 108 8.379 1.061 -15.941 1.00 1.49 N ATOM 1686 CA GLY A 108 9.719 0.625 -16.366 1.00 1.40 C ATOM 1687 C GLY A 108 10.696 0.200 -15.264 1.00 1.18 C ATOM 1688 O GLY A 108 11.784 -0.280 -15.577 1.00 1.57 O ATOM 0 H GLY A 108 8.242 2.069 -16.021 1.00 1.49 H new ATOM 0 HA2 GLY A 108 9.600 -0.212 -17.054 1.00 1.40 H new ATOM 0 HA3 GLY A 108 10.177 1.438 -16.929 1.00 1.40 H new ATOM 1692 N LYS A 109 10.354 0.366 -13.980 1.00 0.82 N ATOM 1693 CA LYS A 109 11.188 -0.058 -12.846 1.00 0.84 C ATOM 1694 C LYS A 109 10.424 -0.921 -11.827 1.00 0.77 C ATOM 1695 O LYS A 109 9.488 -0.449 -11.188 1.00 0.88 O ATOM 1696 CB LYS A 109 11.767 1.186 -12.151 1.00 1.02 C ATOM 1697 CG LYS A 109 13.098 1.628 -12.774 1.00 1.43 C ATOM 1698 CD LYS A 109 13.568 2.983 -12.218 1.00 1.91 C ATOM 1699 CE LYS A 109 13.745 2.945 -10.690 1.00 3.67 C ATOM 1700 NZ LYS A 109 14.195 4.248 -10.146 1.00 4.52 N ATOM 0 H LYS A 109 9.478 0.805 -13.695 1.00 0.82 H new ATOM 0 HA LYS A 109 11.988 -0.682 -13.245 1.00 0.84 H new ATOM 0 HB2 LYS A 109 11.049 2.003 -12.214 1.00 1.02 H new ATOM 0 HB3 LYS A 109 11.916 0.973 -11.092 1.00 1.02 H new ATOM 0 HG2 LYS A 109 13.859 0.872 -12.580 1.00 1.43 H new ATOM 0 HG3 LYS A 109 12.987 1.698 -13.856 1.00 1.43 H new ATOM 0 HD2 LYS A 109 14.513 3.260 -12.686 1.00 1.91 H new ATOM 0 HD3 LYS A 109 12.844 3.754 -12.481 1.00 1.91 H new ATOM 0 HE2 LYS A 109 12.801 2.665 -10.223 1.00 3.67 H new ATOM 0 HE3 LYS A 109 14.470 2.174 -10.429 1.00 3.67 H new ATOM 0 HZ1 LYS A 109 14.187 4.212 -9.107 1.00 4.52 H new ATOM 0 HZ2 LYS A 109 15.160 4.448 -10.478 1.00 4.52 H new ATOM 0 HZ3 LYS A 109 13.554 5.000 -10.471 1.00 4.52 H new ATOM 1714 N VAL A 110 10.924 -2.137 -11.607 1.00 0.99 N ATOM 1715 CA VAL A 110 10.540 -3.026 -10.490 1.00 0.99 C ATOM 1716 C VAL A 110 11.627 -2.983 -9.406 1.00 1.00 C ATOM 1717 O VAL A 110 12.813 -3.033 -9.734 1.00 1.15 O ATOM 1718 CB VAL A 110 10.327 -4.487 -10.956 1.00 1.03 C ATOM 1719 CG1 VAL A 110 9.809 -5.384 -9.815 1.00 1.82 C ATOM 1720 CG2 VAL A 110 9.340 -4.561 -12.135 1.00 1.96 C ATOM 0 H VAL A 110 11.630 -2.551 -12.215 1.00 0.99 H new ATOM 0 HA VAL A 110 9.592 -2.667 -10.089 1.00 0.99 H new ATOM 0 HB VAL A 110 11.303 -4.851 -11.276 1.00 1.03 H new ATOM 0 HG11 VAL A 110 9.673 -6.400 -10.184 1.00 1.82 H new ATOM 0 HG12 VAL A 110 10.531 -5.388 -8.999 1.00 1.82 H new ATOM 0 HG13 VAL A 110 8.856 -4.999 -9.454 1.00 1.82 H new ATOM 0 HG21 VAL A 110 9.213 -5.600 -12.438 1.00 1.96 H new ATOM 0 HG22 VAL A 110 8.377 -4.151 -11.830 1.00 1.96 H new ATOM 0 HG23 VAL A 110 9.731 -3.984 -12.973 1.00 1.96 H new ATOM 1730 N LEU A 111 11.228 -2.897 -8.132 1.00 0.92 N ATOM 1731 CA LEU A 111 12.119 -2.953 -6.963 1.00 0.99 C ATOM 1732 C LEU A 111 11.333 -3.432 -5.737 1.00 0.70 C ATOM 1733 O LEU A 111 10.296 -2.851 -5.437 1.00 0.88 O ATOM 1734 CB LEU A 111 12.697 -1.544 -6.728 1.00 1.34 C ATOM 1735 CG LEU A 111 13.618 -1.394 -5.497 1.00 1.41 C ATOM 1736 CD1 LEU A 111 14.871 -2.277 -5.606 1.00 2.87 C ATOM 1737 CD2 LEU A 111 14.029 0.078 -5.353 1.00 2.10 C ATOM 0 H LEU A 111 10.247 -2.783 -7.876 1.00 0.92 H new ATOM 0 HA LEU A 111 12.935 -3.655 -7.136 1.00 0.99 H new ATOM 0 HB2 LEU A 111 13.257 -1.248 -7.615 1.00 1.34 H new ATOM 0 HB3 LEU A 111 11.868 -0.844 -6.626 1.00 1.34 H new ATOM 0 HG LEU A 111 13.064 -1.721 -4.617 1.00 1.41 H new ATOM 0 HD11 LEU A 111 15.491 -2.141 -4.720 1.00 2.87 H new ATOM 0 HD12 LEU A 111 14.574 -3.323 -5.683 1.00 2.87 H new ATOM 0 HD13 LEU A 111 15.439 -1.995 -6.493 1.00 2.87 H new ATOM 0 HD21 LEU A 111 14.679 0.191 -4.486 1.00 2.10 H new ATOM 0 HD22 LEU A 111 14.561 0.397 -6.249 1.00 2.10 H new ATOM 0 HD23 LEU A 111 13.139 0.693 -5.222 1.00 2.10 H new ATOM 1749 N LYS A 112 11.801 -4.452 -5.012 1.00 0.74 N ATOM 1750 CA LYS A 112 11.041 -5.035 -3.890 1.00 0.70 C ATOM 1751 C LYS A 112 11.609 -4.747 -2.488 1.00 0.79 C ATOM 1752 O LYS A 112 12.784 -4.413 -2.337 1.00 1.01 O ATOM 1753 CB LYS A 112 10.792 -6.532 -4.146 1.00 1.16 C ATOM 1754 CG LYS A 112 11.989 -7.481 -3.985 1.00 1.48 C ATOM 1755 CD LYS A 112 11.461 -8.914 -4.125 1.00 1.39 C ATOM 1756 CE LYS A 112 12.560 -9.967 -3.979 1.00 1.86 C ATOM 1757 NZ LYS A 112 11.959 -11.307 -3.782 1.00 2.19 N ATOM 0 H LYS A 112 12.704 -4.896 -5.178 1.00 0.74 H new ATOM 0 HA LYS A 112 10.082 -4.517 -3.868 1.00 0.70 H new ATOM 0 HB2 LYS A 112 10.005 -6.864 -3.469 1.00 1.16 H new ATOM 0 HB3 LYS A 112 10.408 -6.642 -5.160 1.00 1.16 H new ATOM 0 HG2 LYS A 112 12.746 -7.275 -4.742 1.00 1.48 H new ATOM 0 HG3 LYS A 112 12.463 -7.340 -3.014 1.00 1.48 H new ATOM 0 HD2 LYS A 112 10.694 -9.089 -3.371 1.00 1.39 H new ATOM 0 HD3 LYS A 112 10.983 -9.027 -5.098 1.00 1.39 H new ATOM 0 HE2 LYS A 112 13.191 -9.970 -4.867 1.00 1.86 H new ATOM 0 HE3 LYS A 112 13.201 -9.720 -3.133 1.00 1.86 H new ATOM 0 HZ1 LYS A 112 12.614 -12.036 -4.130 1.00 2.19 H new ATOM 0 HZ2 LYS A 112 11.777 -11.460 -2.770 1.00 2.19 H new ATOM 0 HZ3 LYS A 112 11.064 -11.367 -4.308 1.00 2.19 H new ATOM 1771 N VAL A 113 10.761 -4.908 -1.469 1.00 0.80 N ATOM 1772 CA VAL A 113 11.043 -4.677 -0.036 1.00 0.97 C ATOM 1773 C VAL A 113 10.372 -5.783 0.804 1.00 0.84 C ATOM 1774 O VAL A 113 9.457 -6.449 0.322 1.00 0.73 O ATOM 1775 CB VAL A 113 10.555 -3.277 0.436 1.00 1.17 C ATOM 1776 CG1 VAL A 113 11.279 -2.823 1.719 1.00 1.95 C ATOM 1777 CG2 VAL A 113 10.752 -2.156 -0.606 1.00 1.84 C ATOM 0 H VAL A 113 9.802 -5.221 -1.623 1.00 0.80 H new ATOM 0 HA VAL A 113 12.124 -4.707 0.103 1.00 0.97 H new ATOM 0 HB VAL A 113 9.488 -3.419 0.607 1.00 1.17 H new ATOM 0 HG11 VAL A 113 10.911 -1.841 2.017 1.00 1.95 H new ATOM 0 HG12 VAL A 113 11.088 -3.540 2.518 1.00 1.95 H new ATOM 0 HG13 VAL A 113 12.351 -2.767 1.531 1.00 1.95 H new ATOM 0 HG21 VAL A 113 10.387 -1.213 -0.199 1.00 1.84 H new ATOM 0 HG22 VAL A 113 11.812 -2.062 -0.844 1.00 1.84 H new ATOM 0 HG23 VAL A 113 10.197 -2.400 -1.512 1.00 1.84 H new ATOM 1787 N VAL A 114 10.816 -5.961 2.054 1.00 0.99 N ATOM 1788 CA VAL A 114 10.279 -6.936 3.025 1.00 0.91 C ATOM 1789 C VAL A 114 9.474 -6.187 4.099 1.00 0.84 C ATOM 1790 O VAL A 114 9.843 -5.075 4.485 1.00 0.91 O ATOM 1791 CB VAL A 114 11.408 -7.778 3.673 1.00 1.07 C ATOM 1792 CG1 VAL A 114 10.845 -8.874 4.596 1.00 1.81 C ATOM 1793 CG2 VAL A 114 12.297 -8.451 2.610 1.00 1.85 C ATOM 0 H VAL A 114 11.587 -5.413 2.436 1.00 0.99 H new ATOM 0 HA VAL A 114 9.626 -7.631 2.497 1.00 0.91 H new ATOM 0 HB VAL A 114 12.004 -7.079 4.260 1.00 1.07 H new ATOM 0 HG11 VAL A 114 11.668 -9.442 5.031 1.00 1.81 H new ATOM 0 HG12 VAL A 114 10.261 -8.414 5.393 1.00 1.81 H new ATOM 0 HG13 VAL A 114 10.207 -9.543 4.019 1.00 1.81 H new ATOM 0 HG21 VAL A 114 13.077 -9.032 3.103 1.00 1.85 H new ATOM 0 HG22 VAL A 114 11.689 -9.111 1.992 1.00 1.85 H new ATOM 0 HG23 VAL A 114 12.756 -7.687 1.983 1.00 1.85 H new ATOM 1803 N LEU A 115 8.361 -6.781 4.543 1.00 0.84 N ATOM 1804 CA LEU A 115 7.354 -6.178 5.422 1.00 0.89 C ATOM 1805 C LEU A 115 6.781 -7.245 6.391 1.00 0.87 C ATOM 1806 O LEU A 115 6.281 -8.274 5.913 1.00 0.86 O ATOM 1807 CB LEU A 115 6.195 -5.610 4.570 1.00 1.14 C ATOM 1808 CG LEU A 115 6.582 -4.532 3.532 1.00 1.17 C ATOM 1809 CD1 LEU A 115 6.860 -5.131 2.144 1.00 2.77 C ATOM 1810 CD2 LEU A 115 5.445 -3.518 3.367 1.00 1.88 C ATOM 0 H LEU A 115 8.127 -7.740 4.287 1.00 0.84 H new ATOM 0 HA LEU A 115 7.825 -5.380 5.995 1.00 0.89 H new ATOM 0 HB2 LEU A 115 5.718 -6.437 4.045 1.00 1.14 H new ATOM 0 HB3 LEU A 115 5.449 -5.187 5.243 1.00 1.14 H new ATOM 0 HG LEU A 115 7.487 -4.057 3.910 1.00 1.17 H new ATOM 0 HD11 LEU A 115 7.128 -4.334 1.451 1.00 2.77 H new ATOM 0 HD12 LEU A 115 7.682 -5.843 2.213 1.00 2.77 H new ATOM 0 HD13 LEU A 115 5.967 -5.642 1.783 1.00 2.77 H new ATOM 0 HD21 LEU A 115 5.732 -2.765 2.633 1.00 1.88 H new ATOM 0 HD22 LEU A 115 4.546 -4.032 3.027 1.00 1.88 H new ATOM 0 HD23 LEU A 115 5.247 -3.035 4.324 1.00 1.88 H new ATOM 1822 N PRO A 116 6.752 -7.001 7.716 1.00 0.92 N ATOM 1823 CA PRO A 116 6.090 -7.883 8.675 1.00 0.96 C ATOM 1824 C PRO A 116 4.562 -7.754 8.612 1.00 0.82 C ATOM 1825 O PRO A 116 4.023 -6.780 8.077 1.00 0.80 O ATOM 1826 CB PRO A 116 6.637 -7.469 10.046 1.00 1.14 C ATOM 1827 CG PRO A 116 6.915 -5.981 9.868 1.00 1.10 C ATOM 1828 CD PRO A 116 7.392 -5.897 8.418 1.00 1.00 C ATOM 0 HA PRO A 116 6.294 -8.932 8.459 1.00 0.96 H new ATOM 0 HB2 PRO A 116 5.914 -7.652 10.841 1.00 1.14 H new ATOM 0 HB3 PRO A 116 7.541 -8.021 10.303 1.00 1.14 H new ATOM 0 HG2 PRO A 116 6.021 -5.380 10.035 1.00 1.10 H new ATOM 0 HG3 PRO A 116 7.674 -5.625 10.565 1.00 1.10 H new ATOM 0 HD2 PRO A 116 7.117 -4.941 7.973 1.00 1.00 H new ATOM 0 HD3 PRO A 116 8.478 -5.976 8.360 1.00 1.00 H new ATOM 1836 N VAL A 117 3.858 -8.721 9.210 1.00 0.80 N ATOM 1837 CA VAL A 117 2.399 -8.653 9.406 1.00 0.74 C ATOM 1838 C VAL A 117 2.057 -8.464 10.891 1.00 0.83 C ATOM 1839 O VAL A 117 2.816 -8.874 11.771 1.00 0.77 O ATOM 1840 CB VAL A 117 1.729 -9.910 8.835 1.00 0.76 C ATOM 1841 CG1 VAL A 117 0.197 -9.797 8.781 1.00 0.80 C ATOM 1842 CG2 VAL A 117 2.225 -10.193 7.403 1.00 0.77 C ATOM 0 H VAL A 117 4.281 -9.575 9.573 1.00 0.80 H new ATOM 0 HA VAL A 117 2.013 -7.788 8.867 1.00 0.74 H new ATOM 0 HB VAL A 117 2.001 -10.720 9.511 1.00 0.76 H new ATOM 0 HG11 VAL A 117 -0.221 -10.715 8.369 1.00 0.80 H new ATOM 0 HG12 VAL A 117 -0.192 -9.641 9.787 1.00 0.80 H new ATOM 0 HG13 VAL A 117 -0.084 -8.955 8.149 1.00 0.80 H new ATOM 0 HG21 VAL A 117 1.736 -11.089 7.019 1.00 0.77 H new ATOM 0 HG22 VAL A 117 1.986 -9.345 6.761 1.00 0.77 H new ATOM 0 HG23 VAL A 117 3.304 -10.345 7.415 1.00 0.77 H new ATOM 1852 N GLU A 118 0.916 -7.827 11.167 1.00 1.17 N ATOM 1853 CA GLU A 118 0.479 -7.339 12.478 1.00 1.17 C ATOM 1854 C GLU A 118 -0.904 -7.898 12.888 1.00 1.81 C ATOM 1855 O GLU A 118 -1.395 -8.862 12.301 1.00 3.10 O ATOM 1856 CB GLU A 118 0.532 -5.800 12.455 1.00 1.51 C ATOM 1857 CG GLU A 118 1.093 -5.277 13.783 1.00 2.08 C ATOM 1858 CD GLU A 118 1.007 -3.761 13.962 1.00 2.86 C ATOM 1859 OE1 GLU A 118 0.282 -3.081 13.206 1.00 4.16 O ATOM 1860 OE2 GLU A 118 1.503 -3.289 15.005 1.00 3.15 O ATOM 0 H GLU A 118 0.232 -7.626 10.438 1.00 1.17 H new ATOM 0 HA GLU A 118 1.153 -7.705 13.252 1.00 1.17 H new ATOM 0 HB2 GLU A 118 1.156 -5.461 11.628 1.00 1.51 H new ATOM 0 HB3 GLU A 118 -0.466 -5.396 12.287 1.00 1.51 H new ATOM 0 HG2 GLU A 118 0.557 -5.757 14.602 1.00 2.08 H new ATOM 0 HG3 GLU A 118 2.137 -5.580 13.865 1.00 2.08 H new ATOM 1867 N ALA A 119 -1.490 -7.386 13.976 1.00 1.39 N ATOM 1868 CA ALA A 119 -2.890 -7.619 14.350 1.00 1.82 C ATOM 1869 C ALA A 119 -3.634 -6.270 14.411 1.00 1.91 C ATOM 1870 O ALA A 119 -3.441 -5.493 15.351 1.00 1.98 O ATOM 1871 CB ALA A 119 -2.934 -8.377 15.683 1.00 2.10 C ATOM 0 H ALA A 119 -0.994 -6.786 14.635 1.00 1.39 H new ATOM 0 HA ALA A 119 -3.395 -8.234 13.605 1.00 1.82 H new ATOM 0 HB1 ALA A 119 -3.971 -8.554 15.967 1.00 2.10 H new ATOM 0 HB2 ALA A 119 -2.420 -9.332 15.576 1.00 2.10 H new ATOM 0 HB3 ALA A 119 -2.442 -7.785 16.455 1.00 2.10 H new ATOM 1877 N ARG A 120 -4.431 -5.990 13.373 1.00 2.64 N ATOM 1878 CA ARG A 120 -5.056 -4.698 13.026 1.00 3.15 C ATOM 1879 C ARG A 120 -6.267 -4.920 12.099 1.00 4.10 C ATOM 1880 O ARG A 120 -6.784 -6.052 12.102 1.00 5.18 O ATOM 1881 CB ARG A 120 -4.036 -3.779 12.316 1.00 3.64 C ATOM 1882 CG ARG A 120 -2.735 -3.436 13.044 1.00 3.48 C ATOM 1883 CD ARG A 120 -2.938 -2.636 14.336 1.00 3.64 C ATOM 1884 NE ARG A 120 -1.688 -2.590 15.111 1.00 3.98 N ATOM 1885 CZ ARG A 120 -1.490 -2.945 16.365 1.00 5.06 C ATOM 1886 NH1 ARG A 120 -2.429 -3.457 17.110 1.00 5.94 N ATOM 1887 NH2 ARG A 120 -0.316 -2.816 16.900 1.00 6.00 N ATOM 1888 OXT ARG A 120 -6.617 -3.974 11.357 1.00 4.19 O ATOM 0 H ARG A 120 -4.678 -6.714 12.698 1.00 2.64 H new ATOM 0 HA ARG A 120 -5.388 -4.223 13.949 1.00 3.15 H new ATOM 0 HB2 ARG A 120 -3.772 -4.247 11.367 1.00 3.64 H new ATOM 0 HB3 ARG A 120 -4.541 -2.842 12.080 1.00 3.64 H new ATOM 0 HG2 ARG A 120 -2.208 -4.360 13.280 1.00 3.48 H new ATOM 0 HG3 ARG A 120 -2.094 -2.866 12.372 1.00 3.48 H new ATOM 0 HD2 ARG A 120 -3.263 -1.623 14.097 1.00 3.64 H new ATOM 0 HD3 ARG A 120 -3.728 -3.092 14.934 1.00 3.64 H new ATOM 0 HE ARG A 120 -0.870 -2.238 14.614 1.00 3.98 H new ATOM 0 HH11 ARG A 120 -3.364 -3.598 16.727 1.00 5.94 H new ATOM 0 HH12 ARG A 120 -2.229 -3.717 18.076 1.00 5.94 H new ATOM 0 HH21 ARG A 120 0.456 -2.439 16.350 1.00 6.00 H new ATOM 0 HH22 ARG A 120 -0.165 -3.091 17.870 1.00 6.00 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -9.078 -1.003 -0.388 1.00 0.73 CU