USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 861 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 0:sc= 0 USER MOD Set 1.2: A 46 HIS :FLIP no HE2:sc= -4.7! C(o=-5.8!,f=-4.9!) USER MOD Set 1.3: A 47 ASN :FLIP amide:sc= -0.214 F(o=-5.6,f=-4.9) USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= 0.578 F(o=-0.023,f=0.98) USER MOD Set 2.2: A 30 ASN : amide:sc= 0.403 K(o=0.98,f=-0.023) USER MOD Single : A 9 LYS NZ :NH3+ -125:sc= 0.475 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0651 K(o=-0.065,f=-1.1) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 72:sc= 0.666 USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= -0.249 (180deg=-1.28!) USER MOD Single : A 20 THR OG1 : rot 81:sc= 0.455 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -140:sc= -0.802 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 39 MET CE :methyl -162:sc= 0 (180deg=-0.36) USER MOD Single : A 42 CYS SG : rot 18:sc= -1.52 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.64) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.24) USER MOD Single : A 65 GLN : amide:sc=-0.00863 X(o=-0.0086,f=-0.25) USER MOD Single : A 66 ASN :FLIP amide:sc= -2.73! C(o=-3.3!,f=-2.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -47:sc= -0.594 USER MOD Single : A 76 THR OG1 : rot 124:sc= 0.538 USER MOD Single : A 77 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-4.5!) USER MOD Single : A 80 CYS SG : rot -138:sc= 0.052 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00269 USER MOD Single : A 89 MET CE :methyl -169:sc= -2.64! (180deg=-3.57!) USER MOD Single : A 98 LYS NZ :NH3+ -107:sc= 0.846 (180deg=-0.72) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc=-0.00653 USER MOD Single : A 105 GLN : amide:sc= -0.513 K(o=-0.51,f=-3.6!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 69:sc= 0.796 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 114 LYS NZ :NH3+ -130:sc= -1.2! (180deg=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.121 -9.271 2.020 1.00 0.00 N ATOM 67 CA ILE A 8 -11.496 -8.077 1.465 1.00 0.00 C ATOM 68 C ILE A 8 -9.983 -8.244 1.366 1.00 0.00 C ATOM 69 O ILE A 8 -9.367 -7.845 0.378 1.00 0.00 O ATOM 70 CB ILE A 8 -11.809 -6.831 2.315 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.321 -6.626 2.421 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.142 -5.601 1.717 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.739 -5.830 3.638 1.00 0.00 C ATOM 0 HA ILE A 8 -11.910 -7.939 0.466 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.411 -6.984 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.674 -6.116 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.811 -7.600 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.372 -4.729 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.063 -5.750 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.513 -5.442 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.824 -5.724 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.417 -6.349 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.278 -4.843 3.603 1.00 0.00 H new ATOM 85 N LYS A 9 -9.390 -8.837 2.396 1.00 0.00 N ATOM 86 CA LYS A 9 -7.950 -9.061 2.425 1.00 0.00 C ATOM 87 C LYS A 9 -7.445 -9.535 1.066 1.00 0.00 C ATOM 88 O LYS A 9 -6.280 -9.336 0.724 1.00 0.00 O ATOM 89 CB LYS A 9 -7.594 -10.091 3.500 1.00 0.00 C ATOM 90 CG LYS A 9 -6.199 -9.915 4.073 1.00 0.00 C ATOM 91 CD LYS A 9 -6.109 -10.443 5.495 1.00 0.00 C ATOM 92 CE LYS A 9 -5.951 -11.956 5.520 1.00 0.00 C ATOM 93 NZ LYS A 9 -5.690 -12.464 6.895 1.00 0.00 N ATOM 0 H LYS A 9 -9.885 -9.172 3.223 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.466 -8.114 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.321 -10.025 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.680 -11.091 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.478 -10.437 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.929 -8.859 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.263 -9.980 6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.006 -10.161 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.854 -12.422 5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.130 -12.246 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.816 -13.027 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.586 -11.661 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.486 -13.059 7.202 1.00 0.00 H new ATOM 107 N GLN A 10 -8.330 -10.160 0.296 1.00 0.00 N ATOM 108 CA GLN A 10 -7.973 -10.660 -1.026 1.00 0.00 C ATOM 109 C GLN A 10 -8.048 -9.549 -2.067 1.00 0.00 C ATOM 110 O GLN A 10 -7.028 -9.120 -2.606 1.00 0.00 O ATOM 111 CB GLN A 10 -8.897 -11.812 -1.425 1.00 0.00 C ATOM 112 CG GLN A 10 -8.319 -12.708 -2.509 1.00 0.00 C ATOM 113 CD GLN A 10 -7.216 -13.611 -1.994 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.211 -14.000 -0.826 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.274 -13.952 -2.866 1.00 0.00 N ATOM 0 H GLN A 10 -9.299 -10.332 0.565 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.947 -11.024 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.113 -12.415 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.846 -11.402 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.116 -13.320 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.929 -12.089 -3.317 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.317 -13.607 -3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.507 -14.559 -2.577 1.00 0.00 H new ATOM 124 N MET A 11 -9.263 -9.087 -2.346 1.00 0.00 N ATOM 125 CA MET A 11 -9.470 -8.024 -3.323 1.00 0.00 C ATOM 126 C MET A 11 -8.355 -6.987 -3.243 1.00 0.00 C ATOM 127 O MET A 11 -7.965 -6.400 -4.254 1.00 0.00 O ATOM 128 CB MET A 11 -10.825 -7.351 -3.096 1.00 0.00 C ATOM 129 CG MET A 11 -10.815 -6.326 -1.975 1.00 0.00 C ATOM 130 SD MET A 11 -12.291 -5.291 -1.965 1.00 0.00 S ATOM 131 CE MET A 11 -11.649 -3.779 -2.680 1.00 0.00 C ATOM 0 H MET A 11 -10.118 -9.432 -1.910 1.00 0.00 H new ATOM 0 HA MET A 11 -9.456 -8.471 -4.317 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.139 -6.864 -4.019 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.568 -8.116 -2.871 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.731 -6.841 -1.018 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.933 -5.693 -2.075 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.446 -3.038 -2.741 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.843 -3.395 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.267 -3.983 -3.680 1.00 0.00 H new ATOM 141 N LEU A 12 -7.845 -6.765 -2.037 1.00 0.00 N ATOM 142 CA LEU A 12 -6.774 -5.797 -1.825 1.00 0.00 C ATOM 143 C LEU A 12 -5.486 -6.253 -2.504 1.00 0.00 C ATOM 144 O LEU A 12 -4.888 -5.512 -3.285 1.00 0.00 O ATOM 145 CB LEU A 12 -6.531 -5.595 -0.328 1.00 0.00 C ATOM 146 CG LEU A 12 -7.645 -4.888 0.443 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.396 -4.975 1.941 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.759 -3.435 0.003 1.00 0.00 C ATOM 0 H LEU A 12 -8.156 -7.242 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.081 -4.850 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.364 -6.571 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.611 -5.024 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.588 -5.389 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.199 -4.466 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.365 -6.021 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.445 -4.500 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.557 -2.947 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.816 -2.922 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.985 -3.394 -1.062 1.00 0.00 H new ATOM 160 N LEU A 13 -5.066 -7.477 -2.203 1.00 0.00 N ATOM 161 CA LEU A 13 -3.850 -8.033 -2.786 1.00 0.00 C ATOM 162 C LEU A 13 -3.915 -8.005 -4.309 1.00 0.00 C ATOM 163 O LEU A 13 -2.944 -7.644 -4.975 1.00 0.00 O ATOM 164 CB LEU A 13 -3.638 -9.468 -2.299 1.00 0.00 C ATOM 165 CG LEU A 13 -2.226 -10.030 -2.462 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.328 -9.551 -1.332 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.259 -11.551 -2.511 1.00 0.00 C ATOM 0 H LEU A 13 -5.549 -8.103 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.008 -7.419 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.907 -9.516 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.330 -10.118 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.817 -9.665 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.327 -9.961 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.279 -8.462 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.734 -9.886 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.245 -11.933 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.688 -11.936 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.868 -11.875 -3.355 1.00 0.00 H new ATOM 179 N ASP A 14 -5.064 -8.386 -4.855 1.00 0.00 N ATOM 180 CA ASP A 14 -5.257 -8.402 -6.300 1.00 0.00 C ATOM 181 C ASP A 14 -5.143 -6.995 -6.879 1.00 0.00 C ATOM 182 O ASP A 14 -4.447 -6.775 -7.871 1.00 0.00 O ATOM 183 CB ASP A 14 -6.621 -9.000 -6.648 1.00 0.00 C ATOM 184 CG ASP A 14 -6.815 -9.169 -8.142 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.908 -9.721 -8.800 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.874 -8.750 -8.654 1.00 0.00 O ATOM 0 H ASP A 14 -5.877 -8.688 -4.318 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.475 -9.021 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.725 -9.969 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.408 -8.357 -6.253 1.00 0.00 H new ATOM 191 N TRP A 15 -5.830 -6.046 -6.253 1.00 0.00 N ATOM 192 CA TRP A 15 -5.806 -4.660 -6.707 1.00 0.00 C ATOM 193 C TRP A 15 -4.392 -4.093 -6.651 1.00 0.00 C ATOM 194 O TRP A 15 -3.878 -3.584 -7.648 1.00 0.00 O ATOM 195 CB TRP A 15 -6.745 -3.806 -5.852 1.00 0.00 C ATOM 196 CG TRP A 15 -6.627 -2.338 -6.127 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.176 -1.653 -7.173 1.00 0.00 C ATOM 198 CD2 TRP A 15 -5.913 -1.374 -5.345 1.00 0.00 C ATOM 199 NE1 TRP A 15 -6.847 -0.321 -7.088 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.073 -0.125 -5.975 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.156 -1.445 -4.172 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.503 1.041 -5.471 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.590 -0.287 -3.674 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.767 0.943 -4.322 1.00 0.00 C ATOM 0 H TRP A 15 -6.410 -6.211 -5.430 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.146 -4.637 -7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.773 -4.120 -6.030 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.533 -3.989 -4.799 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.780 -2.093 -7.953 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.133 0.404 -7.747 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.016 -2.388 -3.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.637 1.990 -5.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.001 -0.331 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.314 1.831 -3.906 1.00 0.00 H new ATOM 215 N CYS A 16 -3.768 -4.184 -5.482 1.00 0.00 N ATOM 216 CA CYS A 16 -2.412 -3.679 -5.297 1.00 0.00 C ATOM 217 C CYS A 16 -1.536 -4.022 -6.498 1.00 0.00 C ATOM 218 O CYS A 16 -0.826 -3.166 -7.026 1.00 0.00 O ATOM 219 CB CYS A 16 -1.799 -4.259 -4.022 1.00 0.00 C ATOM 220 SG CYS A 16 -2.579 -3.676 -2.498 1.00 0.00 S ATOM 0 H CYS A 16 -4.179 -4.603 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.464 -2.594 -5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.868 -5.346 -4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.739 -4.008 -3.994 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.760 -4.208 -2.384 1.00 0.00 H new ATOM 226 N ARG A 17 -1.590 -5.280 -6.923 1.00 0.00 N ATOM 227 CA ARG A 17 -0.800 -5.738 -8.060 1.00 0.00 C ATOM 228 C ARG A 17 -1.172 -4.970 -9.325 1.00 0.00 C ATOM 229 O ARG A 17 -0.321 -4.343 -9.955 1.00 0.00 O ATOM 230 CB ARG A 17 -1.005 -7.237 -8.281 1.00 0.00 C ATOM 231 CG ARG A 17 -0.514 -8.096 -7.128 1.00 0.00 C ATOM 232 CD ARG A 17 -0.993 -9.533 -7.260 1.00 0.00 C ATOM 233 NE ARG A 17 -0.412 -10.199 -8.423 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.941 -11.276 -8.993 1.00 0.00 C ATOM 235 NH1 ARG A 17 -2.056 -11.806 -8.510 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.354 -11.825 -10.049 1.00 0.00 N ATOM 0 H ARG A 17 -2.173 -6.001 -6.497 1.00 0.00 H new ATOM 0 HA ARG A 17 0.251 -5.552 -7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.066 -7.430 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.486 -7.536 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.575 -8.076 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.868 -7.679 -6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.732 -10.086 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.080 -9.547 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 17 0.447 -9.816 -8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.510 -11.387 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.460 -12.633 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.504 -11.420 -10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.761 -12.652 -10.486 1.00 0.00 H new ATOM 250 N ALA A 18 -2.448 -5.025 -9.690 1.00 0.00 N ATOM 251 CA ALA A 18 -2.933 -4.334 -10.878 1.00 0.00 C ATOM 252 C ALA A 18 -2.235 -2.990 -11.055 1.00 0.00 C ATOM 253 O ALA A 18 -1.646 -2.717 -12.101 1.00 0.00 O ATOM 254 CB ALA A 18 -4.441 -4.142 -10.799 1.00 0.00 C ATOM 0 H ALA A 18 -3.165 -5.541 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.702 -4.951 -11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.789 -3.625 -11.693 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.928 -5.114 -10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.687 -3.549 -9.918 1.00 0.00 H new ATOM 260 N LYS A 19 -2.306 -2.152 -10.026 1.00 0.00 N ATOM 261 CA LYS A 19 -1.681 -0.835 -10.066 1.00 0.00 C ATOM 262 C LYS A 19 -0.160 -0.955 -10.060 1.00 0.00 C ATOM 263 O LYS A 19 0.528 -0.302 -10.846 1.00 0.00 O ATOM 264 CB LYS A 19 -2.142 0.007 -8.875 1.00 0.00 C ATOM 265 CG LYS A 19 -3.651 0.149 -8.777 1.00 0.00 C ATOM 266 CD LYS A 19 -4.211 0.954 -9.938 1.00 0.00 C ATOM 267 CE LYS A 19 -5.591 0.460 -10.344 1.00 0.00 C ATOM 268 NZ LYS A 19 -5.591 -0.998 -10.648 1.00 0.00 N ATOM 0 H LYS A 19 -2.791 -2.362 -9.153 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.985 -0.343 -10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.768 -0.444 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.696 0.999 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.110 -0.839 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.912 0.635 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.268 2.006 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.534 0.886 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.300 0.664 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.932 1.013 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.306 -1.201 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.653 -1.280 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.814 -1.533 -9.784 1.00 0.00 H new ATOM 282 N THR A 20 0.359 -1.794 -9.170 1.00 0.00 N ATOM 283 CA THR A 20 1.798 -2.000 -9.063 1.00 0.00 C ATOM 284 C THR A 20 2.290 -3.003 -10.099 1.00 0.00 C ATOM 285 O THR A 20 3.177 -3.811 -9.823 1.00 0.00 O ATOM 286 CB THR A 20 2.192 -2.495 -7.658 1.00 0.00 C ATOM 287 OG1 THR A 20 1.615 -1.646 -6.660 1.00 0.00 O ATOM 288 CG2 THR A 20 3.704 -2.521 -7.497 1.00 0.00 C ATOM 0 H THR A 20 -0.196 -2.342 -8.513 1.00 0.00 H new ATOM 0 HA THR A 20 2.269 -1.034 -9.246 1.00 0.00 H new ATOM 0 HB THR A 20 1.813 -3.509 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.681 -1.903 -6.512 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.957 -2.874 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.137 -3.191 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.102 -1.516 -7.639 1.00 0.00 H new ATOM 296 N ARG A 21 1.709 -2.946 -11.293 1.00 0.00 N ATOM 297 CA ARG A 21 2.088 -3.851 -12.371 1.00 0.00 C ATOM 298 C ARG A 21 3.244 -3.275 -13.184 1.00 0.00 C ATOM 299 O ARG A 21 3.407 -2.059 -13.274 1.00 0.00 O ATOM 300 CB ARG A 21 0.891 -4.119 -13.286 1.00 0.00 C ATOM 301 CG ARG A 21 -0.041 -5.202 -12.768 1.00 0.00 C ATOM 302 CD ARG A 21 -0.815 -5.858 -13.900 1.00 0.00 C ATOM 303 NE ARG A 21 -0.085 -6.981 -14.484 1.00 0.00 N ATOM 304 CZ ARG A 21 -0.305 -7.443 -15.709 1.00 0.00 C ATOM 305 NH1 ARG A 21 -1.230 -6.882 -16.477 1.00 0.00 N ATOM 306 NH2 ARG A 21 0.400 -8.468 -16.169 1.00 0.00 N ATOM 0 H ARG A 21 0.974 -2.283 -11.538 1.00 0.00 H new ATOM 0 HA ARG A 21 2.413 -4.791 -11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.326 -3.195 -13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.255 -4.406 -14.272 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.537 -5.957 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.739 -4.770 -12.051 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.778 -6.207 -13.526 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.022 -5.119 -14.674 1.00 0.00 H new ATOM 0 HE ARG A 21 0.633 -7.435 -13.919 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.774 -6.094 -16.127 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.397 -7.239 -17.418 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.112 -8.902 -15.581 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.230 -8.822 -17.110 1.00 0.00 H new ATOM 320 N GLY A 22 4.044 -4.158 -13.774 1.00 0.00 N ATOM 321 CA GLY A 22 5.175 -3.718 -14.570 1.00 0.00 C ATOM 322 C GLY A 22 6.380 -3.366 -13.721 1.00 0.00 C ATOM 323 O GLY A 22 7.505 -3.754 -14.036 1.00 0.00 O ATOM 0 H GLY A 22 3.929 -5.170 -13.715 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.448 -4.504 -15.274 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.884 -2.849 -15.160 1.00 0.00 H new ATOM 327 N TYR A 23 6.145 -2.626 -12.643 1.00 0.00 N ATOM 328 CA TYR A 23 7.222 -2.218 -11.748 1.00 0.00 C ATOM 329 C TYR A 23 8.257 -3.328 -11.598 1.00 0.00 C ATOM 330 O TYR A 23 7.922 -4.460 -11.250 1.00 0.00 O ATOM 331 CB TYR A 23 6.658 -1.842 -10.376 1.00 0.00 C ATOM 332 CG TYR A 23 5.989 -0.486 -10.348 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.640 -0.349 -10.653 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.705 0.657 -10.016 1.00 0.00 C ATOM 335 CE1 TYR A 23 4.024 0.887 -10.628 1.00 0.00 C ATOM 336 CE2 TYR A 23 6.097 1.897 -9.988 1.00 0.00 C ATOM 337 CZ TYR A 23 4.757 2.007 -10.295 1.00 0.00 C ATOM 338 OH TYR A 23 4.148 3.241 -10.269 1.00 0.00 O ATOM 0 H TYR A 23 5.220 -2.297 -12.368 1.00 0.00 H new ATOM 0 HA TYR A 23 7.712 -1.347 -12.184 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.937 -2.600 -10.068 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.466 -1.855 -9.644 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.063 -1.224 -10.914 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.755 0.575 -9.776 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.975 0.976 -10.868 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.668 2.776 -9.727 1.00 0.00 H new ATOM 0 HH TYR A 23 3.203 3.145 -10.511 1.00 0.00 H new ATOM 348 N GLU A 24 9.516 -2.994 -11.862 1.00 0.00 N ATOM 349 CA GLU A 24 10.601 -3.963 -11.757 1.00 0.00 C ATOM 350 C GLU A 24 11.047 -4.124 -10.307 1.00 0.00 C ATOM 351 O GLU A 24 10.942 -3.194 -9.506 1.00 0.00 O ATOM 352 CB GLU A 24 11.786 -3.531 -12.622 1.00 0.00 C ATOM 353 CG GLU A 24 12.816 -4.627 -12.835 1.00 0.00 C ATOM 354 CD GLU A 24 12.449 -5.560 -13.973 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.542 -6.398 -13.783 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.068 -5.453 -15.052 1.00 0.00 O ATOM 0 H GLU A 24 9.810 -2.061 -12.150 1.00 0.00 H new ATOM 0 HA GLU A 24 10.232 -4.924 -12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.415 -3.199 -13.592 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.271 -2.673 -12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.786 -4.174 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.922 -5.204 -11.917 1.00 0.00 H new ATOM 363 N HIS A 25 11.546 -5.311 -9.975 1.00 0.00 N ATOM 364 CA HIS A 25 12.009 -5.595 -8.622 1.00 0.00 C ATOM 365 C HIS A 25 10.880 -5.414 -7.612 1.00 0.00 C ATOM 366 O HIS A 25 11.091 -4.897 -6.515 1.00 0.00 O ATOM 367 CB HIS A 25 13.183 -4.684 -8.260 1.00 0.00 C ATOM 368 CG HIS A 25 14.315 -4.749 -9.239 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.819 -5.936 -9.729 1.00 0.00 N ATOM 370 CD2 HIS A 25 15.041 -3.765 -9.820 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.806 -5.679 -10.568 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.961 -4.369 -10.641 1.00 0.00 N ATOM 0 H HIS A 25 11.640 -6.091 -10.625 1.00 0.00 H new ATOM 0 HA HIS A 25 12.340 -6.633 -8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.828 -3.656 -8.195 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.552 -4.956 -7.271 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.919 -2.703 -9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.388 -6.415 -11.103 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.652 -3.885 -11.214 1.00 0.00 H new ATOM 381 N VAL A 26 9.680 -5.842 -7.991 1.00 0.00 N ATOM 382 CA VAL A 26 8.517 -5.727 -7.119 1.00 0.00 C ATOM 383 C VAL A 26 7.541 -6.875 -7.350 1.00 0.00 C ATOM 384 O VAL A 26 7.234 -7.222 -8.490 1.00 0.00 O ATOM 385 CB VAL A 26 7.782 -4.391 -7.336 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.533 -4.322 -6.470 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.708 -3.220 -7.045 1.00 0.00 C ATOM 0 H VAL A 26 9.488 -6.271 -8.896 1.00 0.00 H new ATOM 0 HA VAL A 26 8.885 -5.768 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 26 7.475 -4.331 -8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.027 -3.371 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.863 -5.141 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.813 -4.405 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.172 -2.284 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.048 -3.273 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.569 -3.262 -7.712 1.00 0.00 H new ATOM 397 N ASP A 27 7.057 -7.461 -6.260 1.00 0.00 N ATOM 398 CA ASP A 27 6.113 -8.570 -6.344 1.00 0.00 C ATOM 399 C ASP A 27 5.261 -8.655 -5.081 1.00 0.00 C ATOM 400 O ASP A 27 5.762 -8.975 -4.003 1.00 0.00 O ATOM 401 CB ASP A 27 6.860 -9.887 -6.559 1.00 0.00 C ATOM 402 CG ASP A 27 8.105 -9.994 -5.701 1.00 0.00 C ATOM 403 OD1 ASP A 27 7.965 -10.158 -4.470 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.219 -9.916 -6.259 1.00 0.00 O ATOM 0 H ASP A 27 7.302 -7.187 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 27 5.454 -8.391 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.194 -10.720 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.137 -9.977 -7.609 1.00 0.00 H new ATOM 409 N ILE A 28 3.972 -8.365 -5.223 1.00 0.00 N ATOM 410 CA ILE A 28 3.051 -8.408 -4.094 1.00 0.00 C ATOM 411 C ILE A 28 2.367 -9.767 -3.996 1.00 0.00 C ATOM 412 O ILE A 28 1.363 -10.017 -4.663 1.00 0.00 O ATOM 413 CB ILE A 28 1.976 -7.311 -4.203 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.630 -5.929 -4.262 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.012 -7.397 -3.029 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.687 -4.833 -4.705 1.00 0.00 C ATOM 0 H ILE A 28 3.542 -8.098 -6.108 1.00 0.00 H new ATOM 0 HA ILE A 28 3.643 -8.236 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 28 1.413 -7.465 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.026 -5.681 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.478 -5.966 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.258 -6.615 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.526 -8.372 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.561 -7.265 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.218 -3.881 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.311 -5.058 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.851 -4.768 -4.008 1.00 0.00 H new ATOM 428 N GLN A 29 2.916 -10.641 -3.158 1.00 0.00 N ATOM 429 CA GLN A 29 2.357 -11.974 -2.971 1.00 0.00 C ATOM 430 C GLN A 29 1.510 -12.037 -1.704 1.00 0.00 C ATOM 431 O GLN A 29 0.514 -12.757 -1.647 1.00 0.00 O ATOM 432 CB GLN A 29 3.476 -13.015 -2.902 1.00 0.00 C ATOM 433 CG GLN A 29 2.973 -14.448 -2.861 1.00 0.00 C ATOM 434 CD GLN A 29 4.079 -15.448 -2.584 1.00 0.00 C ATOM 435 OE1 GLN A 29 4.676 -15.980 -3.643 1.00 0.00 O flip ATOM 436 NE2 GLN A 29 4.393 -15.738 -1.429 1.00 0.00 N flip ATOM 0 H GLN A 29 3.747 -10.450 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 29 1.717 -12.194 -3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.128 -12.893 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.082 -12.826 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.206 -14.538 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.500 -14.690 -3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.907 -15.304 -0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.139 -16.412 -1.257 1.00 0.00 H new ATOM 445 N ASN A 30 1.913 -11.278 -0.690 1.00 0.00 N ATOM 446 CA ASN A 30 1.192 -11.249 0.577 1.00 0.00 C ATOM 447 C ASN A 30 1.667 -10.088 1.446 1.00 0.00 C ATOM 448 O ASN A 30 2.827 -9.683 1.380 1.00 0.00 O ATOM 449 CB ASN A 30 1.378 -12.570 1.325 1.00 0.00 C ATOM 450 CG ASN A 30 2.789 -13.111 1.202 1.00 0.00 C ATOM 451 OD1 ASN A 30 2.998 -14.238 0.753 1.00 0.00 O ATOM 452 ND2 ASN A 30 3.768 -12.306 1.602 1.00 0.00 N ATOM 0 H ASN A 30 2.735 -10.675 -0.721 1.00 0.00 H new ATOM 0 HA ASN A 30 0.133 -11.109 0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.138 -12.425 2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.674 -13.306 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.738 -12.615 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.549 -11.379 1.968 1.00 0.00 H new ATOM 459 N PHE A 31 0.761 -9.558 2.262 1.00 0.00 N ATOM 460 CA PHE A 31 1.087 -8.444 3.145 1.00 0.00 C ATOM 461 C PHE A 31 1.881 -8.924 4.356 1.00 0.00 C ATOM 462 O PHE A 31 1.502 -8.673 5.500 1.00 0.00 O ATOM 463 CB PHE A 31 -0.191 -7.740 3.605 1.00 0.00 C ATOM 464 CG PHE A 31 -1.214 -7.583 2.517 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.213 -6.462 1.703 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.178 -8.557 2.308 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.154 -6.315 0.701 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.120 -8.416 1.307 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.109 -7.293 0.503 1.00 0.00 C ATOM 0 H PHE A 31 -0.204 -9.882 2.330 1.00 0.00 H new ATOM 0 HA PHE A 31 1.702 -7.738 2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.631 -8.304 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.067 -6.755 3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.469 -5.694 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.193 -9.436 2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.142 -5.436 0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.864 -9.183 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.846 -7.180 -0.279 1.00 0.00 H new ATOM 479 N SER A 32 2.986 -9.617 4.096 1.00 0.00 N ATOM 480 CA SER A 32 3.832 -10.136 5.163 1.00 0.00 C ATOM 481 C SER A 32 5.284 -9.716 4.959 1.00 0.00 C ATOM 482 O SER A 32 5.864 -9.021 5.794 1.00 0.00 O ATOM 483 CB SER A 32 3.735 -11.662 5.223 1.00 0.00 C ATOM 484 OG SER A 32 4.011 -12.140 6.528 1.00 0.00 O ATOM 0 H SER A 32 3.315 -9.832 3.155 1.00 0.00 H new ATOM 0 HA SER A 32 3.480 -9.719 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.737 -11.978 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.437 -12.102 4.515 1.00 0.00 H new ATOM 0 HG SER A 32 3.941 -13.117 6.540 1.00 0.00 H new ATOM 490 N SER A 33 5.866 -10.142 3.843 1.00 0.00 N ATOM 491 CA SER A 33 7.251 -9.814 3.529 1.00 0.00 C ATOM 492 C SER A 33 7.383 -9.336 2.086 1.00 0.00 C ATOM 493 O SER A 33 8.381 -9.609 1.419 1.00 0.00 O ATOM 494 CB SER A 33 8.151 -11.030 3.760 1.00 0.00 C ATOM 495 OG SER A 33 7.789 -12.101 2.907 1.00 0.00 O ATOM 0 H SER A 33 5.399 -10.716 3.141 1.00 0.00 H new ATOM 0 HA SER A 33 7.566 -9.007 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.191 -10.756 3.583 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.078 -11.348 4.800 1.00 0.00 H new ATOM 0 HG SER A 33 8.380 -12.865 3.073 1.00 0.00 H new ATOM 501 N SER A 34 6.369 -8.621 1.611 1.00 0.00 N ATOM 502 CA SER A 34 6.368 -8.109 0.246 1.00 0.00 C ATOM 503 C SER A 34 6.685 -6.616 0.226 1.00 0.00 C ATOM 504 O SER A 34 7.199 -6.093 -0.762 1.00 0.00 O ATOM 505 CB SER A 34 5.012 -8.362 -0.416 1.00 0.00 C ATOM 506 OG SER A 34 4.734 -7.382 -1.401 1.00 0.00 O ATOM 0 H SER A 34 5.537 -8.383 2.151 1.00 0.00 H new ATOM 0 HA SER A 34 7.141 -8.635 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.006 -9.352 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.227 -8.354 0.341 1.00 0.00 H new ATOM 0 HG SER A 34 3.787 -7.133 -1.357 1.00 0.00 H new ATOM 512 N TRP A 35 6.374 -5.938 1.324 1.00 0.00 N ATOM 513 CA TRP A 35 6.626 -4.505 1.434 1.00 0.00 C ATOM 514 C TRP A 35 7.876 -4.234 2.264 1.00 0.00 C ATOM 515 O TRP A 35 8.531 -3.205 2.097 1.00 0.00 O ATOM 516 CB TRP A 35 5.421 -3.802 2.061 1.00 0.00 C ATOM 517 CG TRP A 35 4.105 -4.314 1.557 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.569 -5.551 1.776 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.162 -3.603 0.748 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.349 -5.652 1.152 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.076 -4.470 0.515 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.128 -2.319 0.199 1.00 0.00 C ATOM 523 CZ2 TRP A 35 0.972 -4.092 -0.244 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.031 -1.945 -0.554 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.965 -2.829 -0.769 1.00 0.00 C ATOM 0 H TRP A 35 5.947 -6.356 2.151 1.00 0.00 H new ATOM 0 HA TRP A 35 6.787 -4.111 0.430 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.460 -3.925 3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.488 -2.733 1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.036 -6.335 2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.745 -6.474 1.161 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.944 -1.631 0.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.150 -4.772 -0.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.995 -0.955 -0.984 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.121 -2.507 -1.361 1.00 0.00 H new ATOM 536 N SER A 36 8.201 -5.163 3.157 1.00 0.00 N ATOM 537 CA SER A 36 9.372 -5.021 4.015 1.00 0.00 C ATOM 538 C SER A 36 10.527 -4.375 3.256 1.00 0.00 C ATOM 539 O SER A 36 11.240 -3.527 3.792 1.00 0.00 O ATOM 540 CB SER A 36 9.803 -6.386 4.555 1.00 0.00 C ATOM 541 OG SER A 36 10.349 -7.193 3.526 1.00 0.00 O ATOM 0 H SER A 36 7.671 -6.022 3.305 1.00 0.00 H new ATOM 0 HA SER A 36 9.103 -4.375 4.851 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.541 -6.251 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.946 -6.891 5.001 1.00 0.00 H new ATOM 0 HG SER A 36 10.618 -8.059 3.897 1.00 0.00 H new ATOM 547 N ASP A 37 10.705 -4.783 2.004 1.00 0.00 N ATOM 548 CA ASP A 37 11.773 -4.244 1.169 1.00 0.00 C ATOM 549 C ASP A 37 11.706 -2.721 1.118 1.00 0.00 C ATOM 550 O ASP A 37 12.612 -2.033 1.588 1.00 0.00 O ATOM 551 CB ASP A 37 11.682 -4.818 -0.246 1.00 0.00 C ATOM 552 CG ASP A 37 12.086 -6.278 -0.305 1.00 0.00 C ATOM 553 OD1 ASP A 37 13.267 -6.578 -0.030 1.00 0.00 O ATOM 554 OD2 ASP A 37 11.222 -7.121 -0.627 1.00 0.00 O ATOM 0 H ASP A 37 10.124 -5.485 1.545 1.00 0.00 H new ATOM 0 HA ASP A 37 12.727 -4.534 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.661 -4.711 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.323 -4.239 -0.912 1.00 0.00 H new ATOM 559 N GLY A 38 10.627 -2.199 0.542 1.00 0.00 N ATOM 560 CA GLY A 38 10.463 -0.761 0.439 1.00 0.00 C ATOM 561 C GLY A 38 9.839 -0.342 -0.877 1.00 0.00 C ATOM 562 O GLY A 38 8.684 0.081 -0.917 1.00 0.00 O ATOM 0 H GLY A 38 9.864 -2.747 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.840 -0.410 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.435 -0.279 0.547 1.00 0.00 H new ATOM 566 N MET A 39 10.605 -0.457 -1.957 1.00 0.00 N ATOM 567 CA MET A 39 10.120 -0.086 -3.281 1.00 0.00 C ATOM 568 C MET A 39 8.636 -0.410 -3.427 1.00 0.00 C ATOM 569 O MET A 39 7.856 0.413 -3.905 1.00 0.00 O ATOM 570 CB MET A 39 10.921 -0.811 -4.363 1.00 0.00 C ATOM 571 CG MET A 39 12.381 -0.393 -4.421 1.00 0.00 C ATOM 572 SD MET A 39 12.615 1.205 -5.224 1.00 0.00 S ATOM 573 CE MET A 39 13.706 0.752 -6.570 1.00 0.00 C ATOM 0 H MET A 39 11.564 -0.804 -1.941 1.00 0.00 H new ATOM 0 HA MET A 39 10.253 0.989 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.866 -1.885 -4.186 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.459 -0.624 -5.332 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.783 -0.349 -3.409 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.951 -1.152 -4.957 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.194 1.646 -6.960 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.462 0.055 -6.207 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.128 0.279 -7.364 1.00 0.00 H new ATOM 583 N ALA A 40 8.255 -1.614 -3.013 1.00 0.00 N ATOM 584 CA ALA A 40 6.865 -2.045 -3.096 1.00 0.00 C ATOM 585 C ALA A 40 5.913 -0.875 -2.873 1.00 0.00 C ATOM 586 O ALA A 40 5.218 -0.443 -3.793 1.00 0.00 O ATOM 587 CB ALA A 40 6.593 -3.149 -2.085 1.00 0.00 C ATOM 0 H ALA A 40 8.889 -2.308 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 40 6.691 -2.435 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.551 -3.461 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.242 -4.000 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.791 -2.778 -1.079 1.00 0.00 H new ATOM 593 N PHE A 41 5.884 -0.367 -1.646 1.00 0.00 N ATOM 594 CA PHE A 41 5.015 0.753 -1.302 1.00 0.00 C ATOM 595 C PHE A 41 5.165 1.887 -2.311 1.00 0.00 C ATOM 596 O PHE A 41 4.180 2.365 -2.875 1.00 0.00 O ATOM 597 CB PHE A 41 5.336 1.261 0.106 1.00 0.00 C ATOM 598 CG PHE A 41 4.604 0.523 1.190 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.222 0.582 1.276 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.298 -0.229 2.124 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.546 -0.096 2.273 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.627 -0.910 3.123 1.00 0.00 C ATOM 603 CZ PHE A 41 3.249 -0.842 3.198 1.00 0.00 C ATOM 0 H PHE A 41 6.452 -0.713 -0.873 1.00 0.00 H new ATOM 0 HA PHE A 41 3.983 0.402 -1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.409 1.175 0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.087 2.321 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.667 1.164 0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.375 -0.284 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.469 -0.042 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.179 -1.494 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.723 -1.371 3.979 1.00 0.00 H new ATOM 613 N CYS A 42 6.403 2.315 -2.531 1.00 0.00 N ATOM 614 CA CYS A 42 6.683 3.395 -3.471 1.00 0.00 C ATOM 615 C CYS A 42 5.949 3.172 -4.789 1.00 0.00 C ATOM 616 O CYS A 42 5.177 4.022 -5.232 1.00 0.00 O ATOM 617 CB CYS A 42 8.188 3.503 -3.723 1.00 0.00 C ATOM 618 SG CYS A 42 9.152 3.937 -2.257 1.00 0.00 S ATOM 0 H CYS A 42 7.229 1.931 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 42 6.328 4.327 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.549 2.552 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.363 4.252 -4.495 1.00 0.00 H new ATOM 0 HG CYS A 42 8.443 3.715 -1.190 1.00 0.00 H new ATOM 624 N ALA A 43 6.196 2.025 -5.412 1.00 0.00 N ATOM 625 CA ALA A 43 5.558 1.690 -6.679 1.00 0.00 C ATOM 626 C ALA A 43 4.046 1.865 -6.596 1.00 0.00 C ATOM 627 O ALA A 43 3.436 2.503 -7.455 1.00 0.00 O ATOM 628 CB ALA A 43 5.906 0.266 -7.085 1.00 0.00 C ATOM 0 H ALA A 43 6.834 1.311 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 43 5.935 2.375 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.423 0.030 -8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.986 0.173 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.559 -0.426 -6.318 1.00 0.00 H new ATOM 634 N LEU A 44 3.446 1.295 -5.557 1.00 0.00 N ATOM 635 CA LEU A 44 2.003 1.387 -5.361 1.00 0.00 C ATOM 636 C LEU A 44 1.545 2.842 -5.360 1.00 0.00 C ATOM 637 O LEU A 44 0.590 3.204 -6.047 1.00 0.00 O ATOM 638 CB LEU A 44 1.603 0.713 -4.048 1.00 0.00 C ATOM 639 CG LEU A 44 0.109 0.713 -3.722 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.621 -0.324 -4.561 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.114 0.453 -2.239 1.00 0.00 C ATOM 0 H LEU A 44 3.936 0.764 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 44 1.515 0.873 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.949 -0.320 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.132 1.207 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.295 1.696 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.683 -0.309 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.490 -0.094 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.214 -1.313 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.183 0.457 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.306 -0.517 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.375 1.233 -1.655 1.00 0.00 H new ATOM 653 N VAL A 45 2.236 3.673 -4.586 1.00 0.00 N ATOM 654 CA VAL A 45 1.903 5.090 -4.498 1.00 0.00 C ATOM 655 C VAL A 45 2.186 5.804 -5.815 1.00 0.00 C ATOM 656 O VAL A 45 1.272 6.301 -6.474 1.00 0.00 O ATOM 657 CB VAL A 45 2.691 5.783 -3.371 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.350 7.264 -3.313 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.413 5.110 -2.035 1.00 0.00 C ATOM 0 H VAL A 45 3.029 3.390 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 45 0.837 5.151 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 45 3.756 5.689 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.916 7.737 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.605 7.734 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.283 7.385 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.978 5.613 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.348 5.171 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.714 4.063 -2.085 1.00 0.00 H new ATOM 669 N HIS A 46 3.459 5.852 -6.194 1.00 0.00 N ATOM 670 CA HIS A 46 3.864 6.504 -7.434 1.00 0.00 C ATOM 671 C HIS A 46 2.795 6.337 -8.510 1.00 0.00 C ATOM 672 O HIS A 46 2.439 7.292 -9.198 1.00 0.00 O ATOM 673 CB HIS A 46 5.193 5.932 -7.926 1.00 0.00 C ATOM 674 CG HIS A 46 5.775 6.681 -9.085 1.00 0.00 C ATOM 675 ND1 HIS A 46 6.035 7.999 -9.247 1.00 0.00 N flip ATOM 676 CD2 HIS A 46 6.162 6.069 -10.259 1.00 0.00 C flip ATOM 677 CE1 HIS A 46 6.569 8.159 -10.502 1.00 0.00 C flip ATOM 678 NE2 HIS A 46 6.635 6.979 -11.092 1.00 0.00 N flip ATOM 0 H HIS A 46 4.228 5.447 -5.660 1.00 0.00 H new ATOM 0 HA HIS A 46 3.988 7.568 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.908 5.938 -7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.047 4.891 -8.213 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.866 8.737 -8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.090 5.011 -10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.884 9.097 -10.936 1.00 0.00 H new ATOM 687 N ASN A 47 2.288 5.116 -8.649 1.00 0.00 N ATOM 688 CA ASN A 47 1.261 4.823 -9.642 1.00 0.00 C ATOM 689 C ASN A 47 0.126 5.841 -9.567 1.00 0.00 C ATOM 690 O ASN A 47 -0.298 6.390 -10.585 1.00 0.00 O ATOM 691 CB ASN A 47 0.709 3.411 -9.434 1.00 0.00 C ATOM 692 CG ASN A 47 0.006 2.879 -10.668 1.00 0.00 C ATOM 693 OD1 ASN A 47 -1.312 2.735 -10.582 1.00 0.00 O flip ATOM 694 ND2 ASN A 47 0.640 2.600 -11.686 1.00 0.00 N flip ATOM 0 H ASN A 47 2.572 4.314 -8.086 1.00 0.00 H new ATOM 0 HA ASN A 47 1.717 4.886 -10.630 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.525 2.740 -9.166 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.012 3.416 -8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.652 2.727 -11.707 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.153 2.242 -12.508 1.00 0.00 H new ATOM 701 N PHE A 48 -0.361 6.088 -8.356 1.00 0.00 N ATOM 702 CA PHE A 48 -1.446 7.039 -8.148 1.00 0.00 C ATOM 703 C PHE A 48 -0.998 8.458 -8.486 1.00 0.00 C ATOM 704 O PHE A 48 -1.554 9.101 -9.377 1.00 0.00 O ATOM 705 CB PHE A 48 -1.935 6.979 -6.699 1.00 0.00 C ATOM 706 CG PHE A 48 -1.989 5.585 -6.143 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.535 4.549 -6.884 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.494 5.309 -4.878 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.587 3.266 -6.374 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.543 4.028 -4.363 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.089 3.004 -5.113 1.00 0.00 C ATOM 0 H PHE A 48 -0.021 5.643 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.266 6.767 -8.813 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.277 7.585 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.928 7.424 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.924 4.747 -7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.065 6.105 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.017 2.468 -6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.155 3.827 -3.375 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.126 2.001 -4.714 1.00 0.00 H new ATOM 721 N PHE A 49 0.010 8.941 -7.768 1.00 0.00 N ATOM 722 CA PHE A 49 0.532 10.285 -7.989 1.00 0.00 C ATOM 723 C PHE A 49 2.001 10.236 -8.400 1.00 0.00 C ATOM 724 O PHE A 49 2.906 10.262 -7.567 1.00 0.00 O ATOM 725 CB PHE A 49 0.373 11.132 -6.726 1.00 0.00 C ATOM 726 CG PHE A 49 -0.948 10.938 -6.036 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.110 9.937 -5.092 1.00 0.00 C ATOM 728 CD2 PHE A 49 -2.026 11.755 -6.333 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.324 9.755 -4.456 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.242 11.579 -5.699 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.391 10.577 -4.760 1.00 0.00 C ATOM 0 H PHE A 49 0.482 8.422 -7.028 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.039 10.741 -8.797 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.176 10.888 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.486 12.184 -6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.279 9.292 -4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.916 12.538 -7.068 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.438 8.971 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.074 12.224 -5.938 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.340 10.437 -4.264 1.00 0.00 H new ATOM 741 N PRO A 50 2.244 10.163 -9.718 1.00 0.00 N ATOM 742 CA PRO A 50 3.601 10.109 -10.270 1.00 0.00 C ATOM 743 C PRO A 50 4.347 11.429 -10.106 1.00 0.00 C ATOM 744 O PRO A 50 5.517 11.447 -9.727 1.00 0.00 O ATOM 745 CB PRO A 50 3.368 9.807 -11.753 1.00 0.00 C ATOM 746 CG PRO A 50 2.000 10.326 -12.035 1.00 0.00 C ATOM 747 CD PRO A 50 1.214 10.129 -10.769 1.00 0.00 C ATOM 0 HA PRO A 50 4.219 9.369 -9.762 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.114 10.297 -12.379 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.435 8.738 -11.955 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.032 11.379 -12.315 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.542 9.789 -12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.472 10.916 -10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.676 9.181 -10.774 1.00 0.00 H new ATOM 755 N GLU A 51 3.661 12.531 -10.393 1.00 0.00 N ATOM 756 CA GLU A 51 4.260 13.855 -10.277 1.00 0.00 C ATOM 757 C GLU A 51 4.595 14.175 -8.823 1.00 0.00 C ATOM 758 O GLU A 51 5.528 14.926 -8.541 1.00 0.00 O ATOM 759 CB GLU A 51 3.315 14.918 -10.840 1.00 0.00 C ATOM 760 CG GLU A 51 1.950 14.934 -10.172 1.00 0.00 C ATOM 761 CD GLU A 51 1.253 16.275 -10.300 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.762 17.265 -9.733 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.200 16.334 -10.968 1.00 0.00 O ATOM 0 H GLU A 51 2.691 12.533 -10.707 1.00 0.00 H new ATOM 0 HA GLU A 51 5.185 13.859 -10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.777 15.899 -10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.185 14.747 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.324 14.160 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.063 14.687 -9.116 1.00 0.00 H new ATOM 770 N ALA A 52 3.826 13.600 -7.904 1.00 0.00 N ATOM 771 CA ALA A 52 4.041 13.822 -6.480 1.00 0.00 C ATOM 772 C ALA A 52 5.494 13.564 -6.097 1.00 0.00 C ATOM 773 O ALA A 52 6.083 14.311 -5.316 1.00 0.00 O ATOM 774 CB ALA A 52 3.113 12.937 -5.662 1.00 0.00 C ATOM 0 H ALA A 52 3.048 12.977 -8.121 1.00 0.00 H new ATOM 0 HA ALA A 52 3.815 14.866 -6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.285 13.113 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.077 13.172 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.311 11.890 -5.893 1.00 0.00 H new ATOM 780 N PHE A 53 6.068 12.501 -6.652 1.00 0.00 N ATOM 781 CA PHE A 53 7.452 12.143 -6.368 1.00 0.00 C ATOM 782 C PHE A 53 8.000 11.199 -7.433 1.00 0.00 C ATOM 783 O PHE A 53 7.263 10.392 -8.001 1.00 0.00 O ATOM 784 CB PHE A 53 7.560 11.491 -4.988 1.00 0.00 C ATOM 785 CG PHE A 53 7.032 10.085 -4.947 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.668 9.844 -4.901 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.900 9.005 -4.955 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.180 8.552 -4.862 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.417 7.710 -4.917 1.00 0.00 C ATOM 790 CZ PHE A 53 6.056 7.483 -4.871 1.00 0.00 C ATOM 0 H PHE A 53 5.595 11.873 -7.301 1.00 0.00 H new ATOM 0 HA PHE A 53 8.046 13.057 -6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.605 11.488 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.014 12.097 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.979 10.675 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.966 9.177 -4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.115 8.378 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.104 6.877 -4.923 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.677 6.472 -4.842 1.00 0.00 H new ATOM 800 N ASP A 54 9.297 11.305 -7.699 1.00 0.00 N ATOM 801 CA ASP A 54 9.945 10.460 -8.696 1.00 0.00 C ATOM 802 C ASP A 54 10.188 9.058 -8.146 1.00 0.00 C ATOM 803 O ASP A 54 10.601 8.894 -6.997 1.00 0.00 O ATOM 804 CB ASP A 54 11.270 11.083 -9.140 1.00 0.00 C ATOM 805 CG ASP A 54 11.163 12.581 -9.350 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.512 12.998 -10.332 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.730 13.336 -8.533 1.00 0.00 O ATOM 0 H ASP A 54 9.921 11.968 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 54 9.281 10.383 -9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.034 10.878 -8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.598 10.611 -10.067 1.00 0.00 H new ATOM 812 N TYR A 55 9.928 8.051 -8.972 1.00 0.00 N ATOM 813 CA TYR A 55 10.114 6.663 -8.567 1.00 0.00 C ATOM 814 C TYR A 55 11.536 6.195 -8.864 1.00 0.00 C ATOM 815 O TYR A 55 12.293 5.856 -7.955 1.00 0.00 O ATOM 816 CB TYR A 55 9.108 5.761 -9.283 1.00 0.00 C ATOM 817 CG TYR A 55 9.345 4.286 -9.051 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.369 3.760 -7.765 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.545 3.418 -10.118 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.586 2.413 -7.549 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.760 2.069 -9.910 1.00 0.00 C ATOM 822 CZ TYR A 55 9.780 1.572 -8.624 1.00 0.00 C ATOM 823 OH TYR A 55 9.996 0.229 -8.413 1.00 0.00 O ATOM 0 H TYR A 55 9.588 8.170 -9.926 1.00 0.00 H new ATOM 0 HA TYR A 55 9.947 6.599 -7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.102 6.016 -8.949 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.149 5.963 -10.353 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.215 4.415 -6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.532 3.804 -11.126 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.604 2.021 -6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.912 1.407 -10.750 1.00 0.00 H new ATOM 0 HH TYR A 55 10.113 -0.223 -9.275 1.00 0.00 H new ATOM 833 N GLY A 56 11.891 6.180 -10.145 1.00 0.00 N ATOM 834 CA GLY A 56 13.220 5.752 -10.542 1.00 0.00 C ATOM 835 C GLY A 56 14.306 6.354 -9.671 1.00 0.00 C ATOM 836 O GLY A 56 15.321 5.712 -9.403 1.00 0.00 O ATOM 0 H GLY A 56 11.282 6.457 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.279 4.665 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.394 6.033 -11.581 1.00 0.00 H new ATOM 840 N GLN A 57 14.092 7.589 -9.230 1.00 0.00 N ATOM 841 CA GLN A 57 15.063 8.277 -8.387 1.00 0.00 C ATOM 842 C GLN A 57 15.344 7.479 -7.119 1.00 0.00 C ATOM 843 O GLN A 57 16.487 7.395 -6.666 1.00 0.00 O ATOM 844 CB GLN A 57 14.554 9.673 -8.023 1.00 0.00 C ATOM 845 CG GLN A 57 14.569 10.649 -9.188 1.00 0.00 C ATOM 846 CD GLN A 57 15.940 10.783 -9.820 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.961 10.709 -9.137 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.970 10.981 -11.133 1.00 0.00 N ATOM 0 H GLN A 57 13.256 8.133 -9.442 1.00 0.00 H new ATOM 0 HA GLN A 57 15.993 8.371 -8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.536 9.591 -7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.166 10.075 -7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.856 10.318 -9.943 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.236 11.627 -8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.099 11.036 -11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.864 11.078 -11.614 1.00 0.00 H new ATOM 857 N LEU A 58 14.297 6.893 -6.549 1.00 0.00 N ATOM 858 CA LEU A 58 14.431 6.101 -5.332 1.00 0.00 C ATOM 859 C LEU A 58 15.361 4.912 -5.555 1.00 0.00 C ATOM 860 O LEU A 58 15.665 4.555 -6.693 1.00 0.00 O ATOM 861 CB LEU A 58 13.060 5.610 -4.865 1.00 0.00 C ATOM 862 CG LEU A 58 11.987 6.685 -4.686 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.601 6.098 -4.906 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.088 7.315 -3.305 1.00 0.00 C ATOM 0 H LEU A 58 13.345 6.952 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 58 14.864 6.738 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.695 4.877 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.187 5.090 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 58 12.152 7.463 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.851 6.878 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.533 5.695 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.425 5.300 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.317 8.078 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.950 6.547 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.070 7.772 -3.185 1.00 0.00 H new ATOM 876 N SER A 59 15.807 4.303 -4.462 1.00 0.00 N ATOM 877 CA SER A 59 16.703 3.155 -4.538 1.00 0.00 C ATOM 878 C SER A 59 16.207 2.018 -3.649 1.00 0.00 C ATOM 879 O SER A 59 15.552 2.235 -2.629 1.00 0.00 O ATOM 880 CB SER A 59 18.120 3.559 -4.126 1.00 0.00 C ATOM 881 OG SER A 59 18.743 4.334 -5.136 1.00 0.00 O ATOM 0 H SER A 59 15.563 4.585 -3.513 1.00 0.00 H new ATOM 0 HA SER A 59 16.718 2.805 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.084 4.128 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.714 2.666 -3.930 1.00 0.00 H new ATOM 0 HG SER A 59 19.647 4.581 -4.848 1.00 0.00 H new ATOM 887 N PRO A 60 16.526 0.777 -4.043 1.00 0.00 N ATOM 888 CA PRO A 60 16.124 -0.419 -3.297 1.00 0.00 C ATOM 889 C PRO A 60 16.860 -0.547 -1.967 1.00 0.00 C ATOM 890 O PRO A 60 16.256 -0.858 -0.941 1.00 0.00 O ATOM 891 CB PRO A 60 16.509 -1.567 -4.233 1.00 0.00 C ATOM 892 CG PRO A 60 17.608 -1.018 -5.076 1.00 0.00 C ATOM 893 CD PRO A 60 17.305 0.445 -5.248 1.00 0.00 C ATOM 0 HA PRO A 60 15.066 -0.400 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.840 -2.441 -3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.662 -1.881 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.577 -1.163 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.650 -1.524 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.217 1.039 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.736 0.633 -6.159 1.00 0.00 H new ATOM 901 N GLN A 61 18.167 -0.305 -1.993 1.00 0.00 N ATOM 902 CA GLN A 61 18.984 -0.393 -0.789 1.00 0.00 C ATOM 903 C GLN A 61 18.364 0.409 0.350 1.00 0.00 C ATOM 904 O GLN A 61 18.534 0.076 1.522 1.00 0.00 O ATOM 905 CB GLN A 61 20.401 0.110 -1.071 1.00 0.00 C ATOM 906 CG GLN A 61 21.425 -0.354 -0.048 1.00 0.00 C ATOM 907 CD GLN A 61 22.839 -0.348 -0.594 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.500 0.690 -0.628 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.311 -1.512 -1.026 1.00 0.00 N ATOM 0 H GLN A 61 18.682 -0.047 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 61 19.031 -1.440 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.708 -0.229 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.393 1.200 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.375 0.292 0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.172 -1.361 0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 61 22.728 -2.348 -0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.256 -1.570 -1.405 1.00 0.00 H new ATOM 918 N ASN A 62 17.643 1.469 -0.003 1.00 0.00 N ATOM 919 CA ASN A 62 16.998 2.320 0.990 1.00 0.00 C ATOM 920 C ASN A 62 15.778 1.628 1.589 1.00 0.00 C ATOM 921 O ASN A 62 14.700 1.621 0.994 1.00 0.00 O ATOM 922 CB ASN A 62 16.584 3.651 0.360 1.00 0.00 C ATOM 923 CG ASN A 62 17.675 4.701 0.458 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.218 4.949 1.534 1.00 0.00 O ATOM 925 ND2 ASN A 62 17.999 5.324 -0.669 1.00 0.00 N ATOM 0 H ASN A 62 17.491 1.759 -0.969 1.00 0.00 H new ATOM 0 HA ASN A 62 17.715 2.511 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.331 3.491 -0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.684 4.019 0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.725 6.041 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.522 5.086 -1.539 1.00 0.00 H new ATOM 932 N ARG A 63 15.955 1.047 2.772 1.00 0.00 N ATOM 933 CA ARG A 63 14.869 0.351 3.452 1.00 0.00 C ATOM 934 C ARG A 63 13.918 1.344 4.114 1.00 0.00 C ATOM 935 O ARG A 63 12.710 1.116 4.173 1.00 0.00 O ATOM 936 CB ARG A 63 15.430 -0.612 4.500 1.00 0.00 C ATOM 937 CG ARG A 63 16.280 -1.725 3.911 1.00 0.00 C ATOM 938 CD ARG A 63 17.298 -2.240 4.917 1.00 0.00 C ATOM 939 NE ARG A 63 17.866 -3.523 4.513 1.00 0.00 N ATOM 940 CZ ARG A 63 19.039 -3.975 4.942 1.00 0.00 C ATOM 941 NH1 ARG A 63 19.764 -3.252 5.785 1.00 0.00 N ATOM 942 NH2 ARG A 63 19.489 -5.153 4.529 1.00 0.00 N ATOM 0 H ARG A 63 16.840 1.045 3.279 1.00 0.00 H new ATOM 0 HA ARG A 63 14.312 -0.218 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.029 -0.048 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.602 -1.053 5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.637 -2.545 3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.797 -1.359 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.098 -1.509 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.823 -2.345 5.892 1.00 0.00 H new ATOM 0 HE ARG A 63 17.333 -4.104 3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.421 -2.346 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.664 -3.602 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 63 18.934 -5.712 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 63 20.390 -5.499 4.859 1.00 0.00 H new ATOM 956 N ARG A 64 14.472 2.445 4.611 1.00 0.00 N ATOM 957 CA ARG A 64 13.674 3.471 5.271 1.00 0.00 C ATOM 958 C ARG A 64 13.083 4.439 4.250 1.00 0.00 C ATOM 959 O ARG A 64 11.877 4.433 4.002 1.00 0.00 O ATOM 960 CB ARG A 64 14.526 4.238 6.283 1.00 0.00 C ATOM 961 CG ARG A 64 15.134 3.355 7.361 1.00 0.00 C ATOM 962 CD ARG A 64 16.191 4.100 8.161 1.00 0.00 C ATOM 963 NE ARG A 64 15.611 4.841 9.278 1.00 0.00 N ATOM 964 CZ ARG A 64 16.194 5.891 9.846 1.00 0.00 C ATOM 965 NH1 ARG A 64 17.368 6.321 9.403 1.00 0.00 N ATOM 966 NH2 ARG A 64 15.604 6.513 10.858 1.00 0.00 N ATOM 0 H ARG A 64 15.470 2.649 4.569 1.00 0.00 H new ATOM 0 HA ARG A 64 12.856 2.978 5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.327 4.754 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.911 5.004 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.349 3.004 8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.579 2.472 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.926 3.390 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.722 4.790 7.505 1.00 0.00 H new ATOM 0 HE ARG A 64 14.709 4.535 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.825 5.845 8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.814 7.127 9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.701 6.185 11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.053 7.319 11.293 1.00 0.00 H new ATOM 980 N GLN A 65 13.939 5.269 3.664 1.00 0.00 N ATOM 981 CA GLN A 65 13.501 6.243 2.672 1.00 0.00 C ATOM 982 C GLN A 65 12.352 5.689 1.836 1.00 0.00 C ATOM 983 O GLN A 65 11.315 6.333 1.685 1.00 0.00 O ATOM 984 CB GLN A 65 14.666 6.636 1.762 1.00 0.00 C ATOM 985 CG GLN A 65 14.457 7.958 1.042 1.00 0.00 C ATOM 986 CD GLN A 65 15.756 8.569 0.554 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.713 8.709 1.315 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.795 8.937 -0.721 1.00 0.00 N ATOM 0 H GLN A 65 14.940 5.287 3.859 1.00 0.00 H new ATOM 0 HA GLN A 65 13.148 7.128 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.577 6.696 2.358 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.820 5.850 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.791 7.804 0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.960 8.658 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.978 8.802 -1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.642 9.355 -1.106 1.00 0.00 H new ATOM 997 N ASN A 66 12.545 4.491 1.294 1.00 0.00 N ATOM 998 CA ASN A 66 11.525 3.850 0.472 1.00 0.00 C ATOM 999 C ASN A 66 10.156 3.933 1.141 1.00 0.00 C ATOM 1000 O ASN A 66 9.170 4.322 0.516 1.00 0.00 O ATOM 1001 CB ASN A 66 11.892 2.388 0.214 1.00 0.00 C ATOM 1002 CG ASN A 66 12.937 2.237 -0.873 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.337 0.999 -1.142 1.00 0.00 O flip ATOM 1004 ND2 ASN A 66 13.380 3.221 -1.465 1.00 0.00 N flip ATOM 0 H ASN A 66 13.398 3.944 1.409 1.00 0.00 H new ATOM 0 HA ASN A 66 11.477 4.378 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.264 1.942 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.996 1.836 -0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.044 4.154 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.083 3.103 -2.195 1.00 0.00 H new ATOM 1011 N PHE A 67 10.104 3.564 2.417 1.00 0.00 N ATOM 1012 CA PHE A 67 8.857 3.595 3.172 1.00 0.00 C ATOM 1013 C PHE A 67 8.414 5.033 3.431 1.00 0.00 C ATOM 1014 O PHE A 67 7.253 5.382 3.223 1.00 0.00 O ATOM 1015 CB PHE A 67 9.020 2.853 4.499 1.00 0.00 C ATOM 1016 CG PHE A 67 8.733 1.382 4.403 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.606 0.534 3.741 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.589 0.847 4.974 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.343 -0.820 3.650 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.321 -0.506 4.886 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.200 -1.341 4.224 1.00 0.00 C ATOM 0 H PHE A 67 10.911 3.240 2.950 1.00 0.00 H new ATOM 0 HA PHE A 67 8.090 3.098 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.038 2.993 4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.354 3.297 5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.502 0.935 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.899 1.495 5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.031 -1.470 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.425 -0.910 5.334 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.994 -2.399 4.155 1.00 0.00 H new ATOM 1031 N GLU A 68 9.349 5.860 3.888 1.00 0.00 N ATOM 1032 CA GLU A 68 9.055 7.259 4.177 1.00 0.00 C ATOM 1033 C GLU A 68 8.492 7.962 2.946 1.00 0.00 C ATOM 1034 O GLU A 68 7.332 8.376 2.929 1.00 0.00 O ATOM 1035 CB GLU A 68 10.317 7.979 4.657 1.00 0.00 C ATOM 1036 CG GLU A 68 11.014 7.281 5.813 1.00 0.00 C ATOM 1037 CD GLU A 68 11.773 8.245 6.704 1.00 0.00 C ATOM 1038 OE1 GLU A 68 12.899 8.635 6.333 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.239 8.609 7.773 1.00 0.00 O ATOM 0 H GLU A 68 10.315 5.586 4.066 1.00 0.00 H new ATOM 0 HA GLU A 68 8.304 7.291 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.014 8.067 3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.054 8.992 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.274 6.747 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.705 6.535 5.419 1.00 0.00 H new ATOM 1046 N VAL A 69 9.322 8.095 1.916 1.00 0.00 N ATOM 1047 CA VAL A 69 8.908 8.748 0.680 1.00 0.00 C ATOM 1048 C VAL A 69 7.483 8.357 0.302 1.00 0.00 C ATOM 1049 O VAL A 69 6.641 9.217 0.044 1.00 0.00 O ATOM 1050 CB VAL A 69 9.851 8.394 -0.485 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.378 9.049 -1.774 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.278 8.808 -0.160 1.00 0.00 C ATOM 0 H VAL A 69 10.285 7.759 1.913 1.00 0.00 H new ATOM 0 HA VAL A 69 8.952 9.822 0.860 1.00 0.00 H new ATOM 0 HB VAL A 69 9.834 7.313 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.057 8.787 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.374 8.698 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.364 10.132 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.931 8.550 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.315 9.884 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.613 8.287 0.737 1.00 0.00 H new ATOM 1062 N ALA A 70 7.221 7.055 0.273 1.00 0.00 N ATOM 1063 CA ALA A 70 5.897 6.550 -0.070 1.00 0.00 C ATOM 1064 C ALA A 70 4.828 7.151 0.836 1.00 0.00 C ATOM 1065 O ALA A 70 3.773 7.580 0.368 1.00 0.00 O ATOM 1066 CB ALA A 70 5.873 5.031 0.017 1.00 0.00 C ATOM 0 H ALA A 70 7.908 6.331 0.483 1.00 0.00 H new ATOM 0 HA ALA A 70 5.676 6.848 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.878 4.667 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.603 4.615 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.120 4.721 1.032 1.00 0.00 H new ATOM 1072 N PHE A 71 5.108 7.179 2.135 1.00 0.00 N ATOM 1073 CA PHE A 71 4.169 7.726 3.107 1.00 0.00 C ATOM 1074 C PHE A 71 3.993 9.229 2.907 1.00 0.00 C ATOM 1075 O PHE A 71 2.883 9.709 2.675 1.00 0.00 O ATOM 1076 CB PHE A 71 4.653 7.444 4.531 1.00 0.00 C ATOM 1077 CG PHE A 71 4.327 6.058 5.011 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.052 5.540 4.858 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.297 5.274 5.616 1.00 0.00 C ATOM 1080 CE1 PHE A 71 2.749 4.265 5.298 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.000 3.999 6.057 1.00 0.00 C ATOM 1082 CZ PHE A 71 3.724 3.494 5.899 1.00 0.00 C ATOM 0 H PHE A 71 5.977 6.829 2.538 1.00 0.00 H new ATOM 0 HA PHE A 71 3.205 7.241 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.732 7.591 4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.204 8.170 5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.285 6.139 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.296 5.664 5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.751 3.872 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.765 3.397 6.525 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.490 2.498 6.245 1.00 0.00 H new ATOM 1092 N SER A 72 5.095 9.965 2.999 1.00 0.00 N ATOM 1093 CA SER A 72 5.063 11.414 2.832 1.00 0.00 C ATOM 1094 C SER A 72 4.381 11.795 1.522 1.00 0.00 C ATOM 1095 O SER A 72 3.374 12.502 1.516 1.00 0.00 O ATOM 1096 CB SER A 72 6.483 11.984 2.867 1.00 0.00 C ATOM 1097 OG SER A 72 7.103 11.733 4.116 1.00 0.00 O ATOM 0 H SER A 72 6.021 9.583 3.188 1.00 0.00 H new ATOM 0 HA SER A 72 4.489 11.838 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.076 11.540 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.452 13.058 2.682 1.00 0.00 H new ATOM 0 HG SER A 72 8.009 12.106 4.112 1.00 0.00 H new ATOM 1103 N SER A 73 4.939 11.321 0.412 1.00 0.00 N ATOM 1104 CA SER A 73 4.389 11.615 -0.906 1.00 0.00 C ATOM 1105 C SER A 73 2.866 11.691 -0.853 1.00 0.00 C ATOM 1106 O SER A 73 2.265 12.653 -1.331 1.00 0.00 O ATOM 1107 CB SER A 73 4.823 10.548 -1.912 1.00 0.00 C ATOM 1108 OG SER A 73 4.271 9.284 -1.587 1.00 0.00 O ATOM 0 H SER A 73 5.772 10.732 0.400 1.00 0.00 H new ATOM 0 HA SER A 73 4.773 12.583 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.507 10.839 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.911 10.480 -1.928 1.00 0.00 H new ATOM 0 HG SER A 73 4.397 9.108 -0.631 1.00 0.00 H new ATOM 1114 N ALA A 74 2.248 10.669 -0.270 1.00 0.00 N ATOM 1115 CA ALA A 74 0.796 10.620 -0.152 1.00 0.00 C ATOM 1116 C ALA A 74 0.276 11.767 0.706 1.00 0.00 C ATOM 1117 O ALA A 74 -0.440 12.643 0.220 1.00 0.00 O ATOM 1118 CB ALA A 74 0.359 9.283 0.428 1.00 0.00 C ATOM 0 H ALA A 74 2.731 9.863 0.128 1.00 0.00 H new ATOM 0 HA ALA A 74 0.371 10.727 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.728 9.260 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.690 8.477 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.801 9.153 1.416 1.00 0.00 H new ATOM 1124 N GLU A 75 0.638 11.755 1.985 1.00 0.00 N ATOM 1125 CA GLU A 75 0.205 12.795 2.911 1.00 0.00 C ATOM 1126 C GLU A 75 0.203 14.162 2.232 1.00 0.00 C ATOM 1127 O GLU A 75 -0.548 15.059 2.617 1.00 0.00 O ATOM 1128 CB GLU A 75 1.116 12.826 4.140 1.00 0.00 C ATOM 1129 CG GLU A 75 0.596 13.710 5.261 1.00 0.00 C ATOM 1130 CD GLU A 75 1.298 13.454 6.580 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.381 14.036 6.799 1.00 0.00 O ATOM 1132 OE2 GLU A 75 0.764 12.672 7.394 1.00 0.00 O ATOM 0 H GLU A 75 1.230 11.037 2.403 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.812 12.564 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.239 11.811 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.104 13.176 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.724 14.756 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.474 13.542 5.385 1.00 0.00 H new ATOM 1139 N THR A 76 1.050 14.314 1.218 1.00 0.00 N ATOM 1140 CA THR A 76 1.148 15.570 0.486 1.00 0.00 C ATOM 1141 C THR A 76 -0.233 16.106 0.126 1.00 0.00 C ATOM 1142 O THR A 76 -0.614 17.200 0.544 1.00 0.00 O ATOM 1143 CB THR A 76 1.975 15.406 -0.803 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.272 14.885 -0.491 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.118 16.736 -1.527 1.00 0.00 C ATOM 0 H THR A 76 1.678 13.582 0.886 1.00 0.00 H new ATOM 0 HA THR A 76 1.650 16.280 1.143 1.00 0.00 H new ATOM 0 HB THR A 76 1.452 14.708 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.424 14.061 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.706 16.595 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.130 17.115 -1.790 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.620 17.452 -0.877 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.980 15.328 -0.652 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.321 15.725 -1.067 1.00 0.00 C ATOM 1155 C HIS A 77 -3.368 14.769 -0.506 1.00 0.00 C ATOM 1156 O HIS A 77 -4.533 15.133 -0.345 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.414 15.764 -2.593 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.500 14.793 -3.274 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.552 15.174 -4.201 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.390 13.449 -3.157 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.099 14.107 -4.626 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.390 13.047 -4.008 1.00 0.00 N ATOM 0 H HIS A 77 -0.680 14.420 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.517 16.722 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.441 15.554 -2.892 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.182 16.772 -2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.979 12.812 -2.514 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.896 14.102 -5.355 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.076 12.086 -4.141 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.946 13.544 -0.210 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.848 12.536 0.335 1.00 0.00 C ATOM 1173 C ALA A 78 -4.063 12.742 1.830 1.00 0.00 C ATOM 1174 O ALA A 78 -5.140 12.461 2.356 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.304 11.141 0.065 1.00 0.00 C ATOM 0 H ALA A 78 -1.986 13.226 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.813 12.641 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.987 10.398 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.209 10.989 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.326 11.035 0.534 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.033 13.234 2.509 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.110 13.479 3.945 1.00 0.00 C ATOM 1183 C ASP A 79 -3.482 12.203 4.694 1.00 0.00 C ATOM 1184 O ASP A 79 -4.303 12.228 5.612 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.132 14.577 4.243 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.788 15.364 5.492 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.062 16.373 5.377 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.247 14.971 6.585 1.00 0.00 O ATOM 0 H ASP A 79 -2.135 13.471 2.088 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.128 13.806 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.189 15.257 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.119 14.129 4.360 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.875 11.091 4.296 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.144 9.804 4.928 1.00 0.00 C ATOM 1195 C CYS A 80 -2.437 9.702 6.276 1.00 0.00 C ATOM 1196 O CYS A 80 -1.277 10.086 6.427 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.697 8.661 4.016 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.852 7.020 4.760 1.00 0.00 S ATOM 0 H CYS A 80 -2.193 11.054 3.538 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.218 9.726 5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.286 8.690 3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.657 8.823 3.732 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.805 6.309 4.465 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.152 9.174 7.281 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.613 9.011 8.634 1.00 0.00 C ATOM 1206 C PRO A 81 -1.536 7.934 8.704 1.00 0.00 C ATOM 1207 O PRO A 81 -1.797 6.765 8.422 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.837 8.597 9.455 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.759 7.967 8.470 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.540 8.696 7.173 1.00 0.00 C ATOM 0 HA PRO A 81 -2.129 9.920 8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.565 7.898 10.246 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.300 9.458 9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.546 6.904 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.796 8.053 8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.673 8.038 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.241 9.522 7.053 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.327 8.336 9.081 1.00 0.00 N ATOM 1219 CA GLN A 82 0.789 7.404 9.186 1.00 0.00 C ATOM 1220 C GLN A 82 0.582 6.436 10.347 1.00 0.00 C ATOM 1221 O GLN A 82 0.941 6.731 11.487 1.00 0.00 O ATOM 1222 CB GLN A 82 2.102 8.166 9.371 1.00 0.00 C ATOM 1223 CG GLN A 82 2.611 8.819 8.096 1.00 0.00 C ATOM 1224 CD GLN A 82 3.838 9.679 8.330 1.00 0.00 C ATOM 1225 OE1 GLN A 82 4.396 9.698 9.427 1.00 0.00 O ATOM 1226 NE2 GLN A 82 4.264 10.396 7.297 1.00 0.00 N ATOM 0 H GLN A 82 -0.095 9.300 9.319 1.00 0.00 H new ATOM 0 HA GLN A 82 0.838 6.829 8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.963 8.934 10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.861 7.480 9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.848 8.045 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.819 9.432 7.665 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.770 10.349 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.085 10.993 7.395 1.00 0.00 H new ATOM 1235 N LEU A 83 0.000 5.279 10.049 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.256 4.267 11.068 1.00 0.00 C ATOM 1237 C LEU A 83 0.967 3.379 11.272 1.00 0.00 C ATOM 1238 O LEU A 83 1.456 3.224 12.392 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.461 3.412 10.673 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.762 4.169 10.403 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.726 3.305 9.605 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.400 4.616 11.710 1.00 0.00 C ATOM 0 H LEU A 83 -0.303 5.019 9.111 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.472 4.777 12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.202 2.845 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.643 2.688 11.467 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.529 5.056 9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.646 3.860 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.270 3.035 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.954 2.400 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.325 5.153 11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.620 3.743 12.325 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.713 5.273 12.244 1.00 0.00 H new ATOM 1254 N LEU A 84 1.459 2.798 10.183 1.00 0.00 N ATOM 1255 CA LEU A 84 2.627 1.927 10.241 1.00 0.00 C ATOM 1256 C LEU A 84 3.831 2.668 10.816 1.00 0.00 C ATOM 1257 O LEU A 84 4.029 3.853 10.547 1.00 0.00 O ATOM 1258 CB LEU A 84 2.961 1.393 8.847 1.00 0.00 C ATOM 1259 CG LEU A 84 1.895 0.513 8.193 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.228 0.270 6.730 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.763 -0.808 8.939 1.00 0.00 C ATOM 0 H LEU A 84 1.067 2.915 9.249 1.00 0.00 H new ATOM 0 HA LEU A 84 2.391 1.089 10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.155 2.242 8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.887 0.821 8.911 1.00 0.00 H new ATOM 0 HG LEU A 84 0.939 1.034 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.458 -0.358 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.271 1.223 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.194 -0.230 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.000 -1.422 8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.717 -1.334 8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.477 -0.615 9.973 1.00 0.00 H new ATOM 1273 N ASP A 85 4.633 1.961 11.605 1.00 0.00 N ATOM 1274 CA ASP A 85 5.819 2.550 12.214 1.00 0.00 C ATOM 1275 C ASP A 85 7.081 2.125 11.470 1.00 0.00 C ATOM 1276 O ASP A 85 7.723 1.137 11.826 1.00 0.00 O ATOM 1277 CB ASP A 85 5.919 2.143 13.685 1.00 0.00 C ATOM 1278 CG ASP A 85 4.959 2.917 14.567 1.00 0.00 C ATOM 1279 OD1 ASP A 85 3.917 3.373 14.051 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.249 3.068 15.772 1.00 0.00 O ATOM 0 H ASP A 85 4.483 0.979 11.837 1.00 0.00 H new ATOM 0 HA ASP A 85 5.729 3.634 12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.714 1.077 13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.939 2.304 14.035 1.00 0.00 H new ATOM 1285 N THR A 86 7.431 2.878 10.431 1.00 0.00 N ATOM 1286 CA THR A 86 8.614 2.579 9.635 1.00 0.00 C ATOM 1287 C THR A 86 9.790 2.186 10.522 1.00 0.00 C ATOM 1288 O THR A 86 10.466 1.191 10.266 1.00 0.00 O ATOM 1289 CB THR A 86 9.023 3.781 8.763 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.886 4.278 8.048 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.115 3.389 7.778 1.00 0.00 C ATOM 0 H THR A 86 6.911 3.699 10.122 1.00 0.00 H new ATOM 0 HA THR A 86 8.355 1.741 8.988 1.00 0.00 H new ATOM 0 HB THR A 86 9.409 4.561 9.419 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.155 5.043 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.387 4.254 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.990 3.039 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.751 2.593 7.129 1.00 0.00 H new ATOM 1299 N GLU A 87 10.026 2.974 11.566 1.00 0.00 N ATOM 1300 CA GLU A 87 11.121 2.706 12.491 1.00 0.00 C ATOM 1301 C GLU A 87 11.058 1.272 13.010 1.00 0.00 C ATOM 1302 O GLU A 87 12.087 0.633 13.225 1.00 0.00 O ATOM 1303 CB GLU A 87 11.077 3.687 13.665 1.00 0.00 C ATOM 1304 CG GLU A 87 9.786 3.624 14.463 1.00 0.00 C ATOM 1305 CD GLU A 87 8.723 4.564 13.929 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.026 4.186 12.964 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.589 5.679 14.476 1.00 0.00 O ATOM 0 H GLU A 87 9.475 3.802 11.792 1.00 0.00 H new ATOM 0 HA GLU A 87 12.059 2.837 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.916 3.482 14.330 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.211 4.700 13.286 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.404 2.603 14.448 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.994 3.871 15.504 1.00 0.00 H new ATOM 1314 N ASP A 88 9.842 0.774 13.208 1.00 0.00 N ATOM 1315 CA ASP A 88 9.643 -0.584 13.700 1.00 0.00 C ATOM 1316 C ASP A 88 9.588 -1.578 12.545 1.00 0.00 C ATOM 1317 O ASP A 88 9.952 -2.744 12.698 1.00 0.00 O ATOM 1318 CB ASP A 88 8.357 -0.667 14.523 1.00 0.00 C ATOM 1319 CG ASP A 88 8.377 -1.813 15.515 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.478 -2.174 15.981 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.293 -2.350 15.825 1.00 0.00 O ATOM 0 H ASP A 88 8.980 1.291 13.035 1.00 0.00 H new ATOM 0 HA ASP A 88 10.490 -0.841 14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.211 0.271 15.059 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.507 -0.786 13.852 1.00 0.00 H new ATOM 1326 N MET A 89 9.130 -1.109 11.389 1.00 0.00 N ATOM 1327 CA MET A 89 9.028 -1.958 10.207 1.00 0.00 C ATOM 1328 C MET A 89 10.408 -2.413 9.743 1.00 0.00 C ATOM 1329 O MET A 89 10.594 -3.566 9.354 1.00 0.00 O ATOM 1330 CB MET A 89 8.317 -1.211 9.077 1.00 0.00 C ATOM 1331 CG MET A 89 6.926 -0.726 9.449 1.00 0.00 C ATOM 1332 SD MET A 89 5.658 -1.980 9.183 1.00 0.00 S ATOM 1333 CE MET A 89 5.475 -1.904 7.403 1.00 0.00 C ATOM 0 H MET A 89 8.824 -0.147 11.245 1.00 0.00 H new ATOM 0 HA MET A 89 8.445 -2.840 10.473 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.924 -0.355 8.780 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.244 -1.866 8.209 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.919 -0.424 10.496 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.685 0.159 8.861 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.596 -2.475 7.103 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.357 -0.866 7.093 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.361 -2.326 6.928 1.00 0.00 H new ATOM 1343 N VAL A 90 11.373 -1.499 9.787 1.00 0.00 N ATOM 1344 CA VAL A 90 12.736 -1.807 9.372 1.00 0.00 C ATOM 1345 C VAL A 90 13.303 -2.975 10.171 1.00 0.00 C ATOM 1346 O VAL A 90 13.621 -4.026 9.613 1.00 0.00 O ATOM 1347 CB VAL A 90 13.662 -0.588 9.538 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.121 -1.019 9.521 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.388 0.440 8.451 1.00 0.00 C ATOM 0 H VAL A 90 11.236 -0.540 10.106 1.00 0.00 H new ATOM 0 HA VAL A 90 12.692 -2.079 8.318 1.00 0.00 H new ATOM 0 HB VAL A 90 13.456 -0.126 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.760 -0.144 9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.304 -1.716 10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.345 -1.506 8.572 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.051 1.295 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.565 -0.008 7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.352 0.771 8.516 1.00 0.00 H new ATOM 1359 N ARG A 91 13.428 -2.784 11.480 1.00 0.00 N ATOM 1360 CA ARG A 91 13.957 -3.822 12.357 1.00 0.00 C ATOM 1361 C ARG A 91 13.063 -5.058 12.338 1.00 0.00 C ATOM 1362 O ARG A 91 13.550 -6.189 12.294 1.00 0.00 O ATOM 1363 CB ARG A 91 14.086 -3.294 13.787 1.00 0.00 C ATOM 1364 CG ARG A 91 12.818 -2.640 14.311 1.00 0.00 C ATOM 1365 CD ARG A 91 13.005 -2.120 15.728 1.00 0.00 C ATOM 1366 NE ARG A 91 13.194 -3.204 16.688 1.00 0.00 N ATOM 1367 CZ ARG A 91 13.298 -3.014 17.999 1.00 0.00 C ATOM 1368 NH1 ARG A 91 13.231 -1.789 18.503 1.00 0.00 N ATOM 1369 NH2 ARG A 91 13.469 -4.051 18.809 1.00 0.00 N ATOM 0 H ARG A 91 13.170 -1.920 11.957 1.00 0.00 H new ATOM 0 HA ARG A 91 14.944 -4.104 11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.359 -4.118 14.446 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.901 -2.571 13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.533 -1.817 13.655 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.001 -3.361 14.291 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.867 -1.454 15.759 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.135 -1.529 16.015 1.00 0.00 H new ATOM 0 HE ARG A 91 13.249 -4.159 16.333 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.099 -0.989 17.884 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.311 -1.647 19.510 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.521 -4.995 18.425 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.549 -3.904 19.815 1.00 0.00 H new ATOM 1383 N LEU A 92 11.754 -4.836 12.371 1.00 0.00 N ATOM 1384 CA LEU A 92 10.791 -5.932 12.358 1.00 0.00 C ATOM 1385 C LEU A 92 11.090 -6.905 11.223 1.00 0.00 C ATOM 1386 O LEU A 92 11.066 -6.533 10.050 1.00 0.00 O ATOM 1387 CB LEU A 92 9.369 -5.385 12.217 1.00 0.00 C ATOM 1388 CG LEU A 92 8.697 -4.921 13.509 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.518 -4.011 13.200 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.249 -6.116 14.337 1.00 0.00 C ATOM 0 H LEU A 92 11.335 -3.907 12.407 1.00 0.00 H new ATOM 0 HA LEU A 92 10.875 -6.469 13.303 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.391 -4.546 11.521 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.747 -6.158 11.765 1.00 0.00 H new ATOM 0 HG LEU A 92 9.424 -4.355 14.091 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.052 -3.690 14.132 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.867 -3.137 12.650 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.789 -4.552 12.597 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.773 -5.766 15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.538 -6.711 13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.114 -6.729 14.589 1.00 0.00 H new ATOM 1402 N ARG A 93 11.368 -8.155 11.580 1.00 0.00 N ATOM 1403 CA ARG A 93 11.669 -9.183 10.591 1.00 0.00 C ATOM 1404 C ARG A 93 10.798 -9.016 9.350 1.00 0.00 C ATOM 1405 O ARG A 93 11.269 -9.170 8.224 1.00 0.00 O ATOM 1406 CB ARG A 93 11.460 -10.575 11.190 1.00 0.00 C ATOM 1407 CG ARG A 93 12.604 -11.033 12.079 1.00 0.00 C ATOM 1408 CD ARG A 93 12.231 -12.277 12.871 1.00 0.00 C ATOM 1409 NE ARG A 93 11.350 -11.967 13.994 1.00 0.00 N ATOM 1410 CZ ARG A 93 11.786 -11.536 15.172 1.00 0.00 C ATOM 1411 NH1 ARG A 93 13.084 -11.364 15.381 1.00 0.00 N ATOM 1412 NH2 ARG A 93 10.922 -11.275 16.145 1.00 0.00 N ATOM 0 H ARG A 93 11.391 -8.480 12.547 1.00 0.00 H new ATOM 0 HA ARG A 93 12.713 -9.074 10.298 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.537 -10.577 11.770 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.330 -11.294 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.482 -11.240 11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.876 -10.231 12.766 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.740 -12.993 12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.137 -12.756 13.242 1.00 0.00 H new ATOM 0 HE ARG A 93 10.345 -12.088 13.867 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.751 -11.563 14.636 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.415 -11.033 16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.923 -11.405 15.988 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.257 -10.944 17.050 1.00 0.00 H new ATOM 1426 N GLU A 94 9.524 -8.700 9.565 1.00 0.00 N ATOM 1427 CA GLU A 94 8.587 -8.514 8.463 1.00 0.00 C ATOM 1428 C GLU A 94 7.309 -7.835 8.945 1.00 0.00 C ATOM 1429 O GLU A 94 6.823 -8.082 10.049 1.00 0.00 O ATOM 1430 CB GLU A 94 8.251 -9.859 7.817 1.00 0.00 C ATOM 1431 CG GLU A 94 7.562 -10.832 8.760 1.00 0.00 C ATOM 1432 CD GLU A 94 7.547 -12.251 8.226 1.00 0.00 C ATOM 1433 OE1 GLU A 94 8.574 -12.685 7.664 1.00 0.00 O ATOM 1434 OE2 GLU A 94 6.507 -12.927 8.370 1.00 0.00 O ATOM 0 H GLU A 94 9.118 -8.568 10.491 1.00 0.00 H new ATOM 0 HA GLU A 94 9.061 -7.872 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.609 -9.687 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.169 -10.314 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.068 -10.816 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.538 -10.502 8.932 1.00 0.00 H new ATOM 1441 N PRO A 95 6.750 -6.957 8.099 1.00 0.00 N ATOM 1442 CA PRO A 95 5.521 -6.224 8.416 1.00 0.00 C ATOM 1443 C PRO A 95 4.295 -7.130 8.440 1.00 0.00 C ATOM 1444 O PRO A 95 3.792 -7.537 7.393 1.00 0.00 O ATOM 1445 CB PRO A 95 5.412 -5.206 7.278 1.00 0.00 C ATOM 1446 CG PRO A 95 6.157 -5.822 6.146 1.00 0.00 C ATOM 1447 CD PRO A 95 7.275 -6.613 6.767 1.00 0.00 C ATOM 0 HA PRO A 95 5.560 -5.773 9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.372 -5.019 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.845 -4.247 7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.506 -6.465 5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.547 -5.058 5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.508 -7.504 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.192 -6.028 6.835 1.00 0.00 H new ATOM 1455 N ASP A 96 3.819 -7.442 9.640 1.00 0.00 N ATOM 1456 CA ASP A 96 2.650 -8.299 9.800 1.00 0.00 C ATOM 1457 C ASP A 96 1.409 -7.643 9.203 1.00 0.00 C ATOM 1458 O ASP A 96 1.112 -6.482 9.486 1.00 0.00 O ATOM 1459 CB ASP A 96 2.417 -8.609 11.279 1.00 0.00 C ATOM 1460 CG ASP A 96 3.320 -9.715 11.788 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.460 -9.825 11.291 1.00 0.00 O ATOM 1462 OD2 ASP A 96 2.887 -10.470 12.684 1.00 0.00 O ATOM 0 H ASP A 96 4.225 -7.114 10.517 1.00 0.00 H new ATOM 0 HA ASP A 96 2.838 -9.231 9.267 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.585 -7.707 11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.376 -8.897 11.427 1.00 0.00 H new ATOM 1467 N TRP A 97 0.689 -8.392 8.376 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.520 -7.882 7.739 1.00 0.00 C ATOM 1469 C TRP A 97 -1.403 -7.158 8.748 1.00 0.00 C ATOM 1470 O TRP A 97 -1.955 -6.097 8.456 1.00 0.00 O ATOM 1471 CB TRP A 97 -1.299 -9.026 7.088 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.730 -10.081 8.062 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.961 -11.086 8.576 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -3.032 -10.236 8.637 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.706 -11.856 9.435 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.980 -11.354 9.491 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -4.236 -9.537 8.515 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -4.086 -11.789 10.217 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -5.333 -9.969 9.235 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -5.252 -11.086 10.078 1.00 0.00 C ATOM 0 H TRP A 97 0.921 -9.354 8.131 1.00 0.00 H new ATOM 0 HA TRP A 97 -0.223 -7.170 6.969 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.180 -8.620 6.590 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.680 -9.485 6.317 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.080 -11.251 8.341 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -1.366 -12.669 9.948 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.308 -8.674 7.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.026 -12.650 10.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -6.269 -9.437 9.147 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.127 -11.398 10.629 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.534 -7.738 9.937 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.350 -7.147 10.991 1.00 0.00 C ATOM 1493 C LYS A 98 -2.286 -5.624 10.939 1.00 0.00 C ATOM 1494 O LYS A 98 -3.263 -4.941 11.251 1.00 0.00 O ATOM 1495 CB LYS A 98 -1.884 -7.641 12.362 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.043 -9.140 12.555 1.00 0.00 C ATOM 1497 CD LYS A 98 -3.400 -9.485 13.144 1.00 0.00 C ATOM 1498 CE LYS A 98 -4.534 -9.004 12.252 1.00 0.00 C ATOM 1499 NZ LYS A 98 -5.838 -9.615 12.634 1.00 0.00 N ATOM 0 H LYS A 98 -1.085 -8.617 10.194 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.383 -7.455 10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.836 -7.375 12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.448 -7.122 13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.922 -9.646 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.256 -9.509 13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.475 -10.564 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.495 -9.032 14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.610 -7.918 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.308 -9.249 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.110 -10.324 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.748 -10.073 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.567 -8.875 12.682 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.132 -5.098 10.543 1.00 0.00 N ATOM 1514 CA CYS A 99 -0.942 -3.655 10.450 1.00 0.00 C ATOM 1515 C CYS A 99 -1.049 -3.184 9.003 1.00 0.00 C ATOM 1516 O CYS A 99 -1.893 -2.352 8.671 1.00 0.00 O ATOM 1517 CB CYS A 99 0.418 -3.260 11.028 1.00 0.00 C ATOM 1518 SG CYS A 99 0.399 -2.933 12.806 1.00 0.00 S ATOM 0 H CYS A 99 -0.314 -5.649 10.281 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.729 -3.172 11.029 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.133 -4.057 10.824 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.776 -2.370 10.510 1.00 0.00 H new ATOM 0 HG CYS A 99 1.595 -2.609 13.200 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.187 -3.722 8.146 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.185 -3.357 6.735 1.00 0.00 C ATOM 1526 C VAL A 100 -1.606 -3.208 6.203 1.00 0.00 C ATOM 1527 O VAL A 100 -1.973 -2.162 5.667 1.00 0.00 O ATOM 1528 CB VAL A 100 0.562 -4.403 5.886 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.568 -3.996 4.420 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.981 -4.592 6.401 1.00 0.00 C ATOM 0 H VAL A 100 0.519 -4.412 8.404 1.00 0.00 H new ATOM 0 HA VAL A 100 0.331 -2.400 6.657 1.00 0.00 H new ATOM 0 HB VAL A 100 0.039 -5.355 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.100 -4.747 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.458 -3.916 4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.066 -3.032 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.494 -5.334 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.517 -3.644 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.950 -4.933 7.436 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.402 -4.260 6.355 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.783 -4.247 5.889 1.00 0.00 C ATOM 1542 C TYR A 101 -4.496 -2.972 6.330 1.00 0.00 C ATOM 1543 O TYR A 101 -5.237 -2.362 5.559 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.533 -5.472 6.415 1.00 0.00 C ATOM 1545 CG TYR A 101 -6.032 -5.388 6.237 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.818 -4.668 7.128 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.662 -6.027 5.176 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.188 -4.589 6.969 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -8.031 -5.952 5.008 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.790 -5.232 5.907 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.154 -5.155 5.745 1.00 0.00 O ATOM 0 H TYR A 101 -2.114 -5.133 6.797 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.771 -4.277 4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.164 -6.361 5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.308 -5.598 7.474 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.350 -4.161 7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.071 -6.592 4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.785 -4.027 7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.504 -6.454 4.177 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.418 -5.662 4.949 1.00 0.00 H new ATOM 1561 N THR A 102 -4.265 -2.575 7.577 1.00 0.00 N ATOM 1562 CA THR A 102 -4.883 -1.373 8.123 1.00 0.00 C ATOM 1563 C THR A 102 -4.608 -0.163 7.239 1.00 0.00 C ATOM 1564 O THR A 102 -5.531 0.541 6.828 1.00 0.00 O ATOM 1565 CB THR A 102 -4.379 -1.080 9.549 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.535 -2.240 10.373 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.135 0.089 10.161 1.00 0.00 C ATOM 0 H THR A 102 -3.654 -3.068 8.228 1.00 0.00 H new ATOM 0 HA THR A 102 -5.957 -1.557 8.157 1.00 0.00 H new ATOM 0 HB THR A 102 -3.323 -0.818 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.211 -2.045 11.277 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.762 0.277 11.168 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.988 0.978 9.548 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.198 -0.149 10.207 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.333 0.075 6.950 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.936 1.202 6.115 1.00 0.00 C ATOM 1577 C TYR A 103 -3.477 1.048 4.697 1.00 0.00 C ATOM 1578 O TYR A 103 -4.202 1.910 4.200 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.412 1.327 6.081 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.918 2.488 5.249 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.857 3.771 5.778 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.510 2.302 3.933 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.407 4.836 5.020 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.058 3.360 3.169 1.00 0.00 C ATOM 1585 CZ TYR A 103 -0.008 4.625 3.717 1.00 0.00 C ATOM 1586 OH TYR A 103 0.442 5.682 2.960 1.00 0.00 O ATOM 0 H TYR A 103 -2.557 -0.498 7.282 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.359 2.108 6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.042 1.438 7.100 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.989 0.403 5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.166 3.939 6.799 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.547 1.313 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.368 5.828 5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.255 3.198 2.148 1.00 0.00 H new ATOM 0 HH TYR A 103 0.685 5.364 2.066 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.119 -0.057 4.052 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.570 -0.326 2.692 1.00 0.00 C ATOM 1598 C ILE A 104 -5.025 0.089 2.502 1.00 0.00 C ATOM 1599 O ILE A 104 -5.356 0.814 1.565 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.422 -1.817 2.335 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -1.965 -2.259 2.487 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -3.915 -2.074 0.919 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.026 -1.587 1.510 1.00 0.00 C ATOM 0 H ILE A 104 -2.519 -0.780 4.449 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.938 0.263 2.028 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.032 -2.402 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.633 -2.046 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.905 -3.339 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.804 -3.132 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.966 -1.793 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.329 -1.481 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.011 -1.947 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.333 -1.821 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.057 -0.508 1.660 1.00 0.00 H new ATOM 1615 N GLN A 105 -5.888 -0.375 3.400 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.308 -0.051 3.332 1.00 0.00 C ATOM 1617 C GLN A 105 -7.545 1.426 3.632 1.00 0.00 C ATOM 1618 O GLN A 105 -8.327 2.089 2.953 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.099 -0.916 4.315 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.563 -0.525 4.428 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.341 -0.802 3.156 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -9.772 -1.212 2.144 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.649 -0.578 3.201 1.00 0.00 N ATOM 0 H GLN A 105 -5.629 -0.976 4.182 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.653 -0.257 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.033 -1.958 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.636 -0.848 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.018 -1.071 5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.634 0.536 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.079 -0.238 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.224 -0.746 2.375 1.00 0.00 H new ATOM 1632 N GLU A 106 -6.863 1.933 4.655 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.001 3.331 5.045 1.00 0.00 C ATOM 1634 C GLU A 106 -6.748 4.255 3.857 1.00 0.00 C ATOM 1635 O GLU A 106 -7.505 5.195 3.615 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.030 3.665 6.180 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.378 4.945 6.922 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.632 4.809 7.763 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.723 4.641 7.180 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.521 4.872 9.006 1.00 0.00 O ATOM 0 H GLU A 106 -6.211 1.397 5.227 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.023 3.485 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.014 2.837 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.023 3.754 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.543 5.227 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.513 5.752 6.202 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.677 3.981 3.119 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.322 4.788 1.958 1.00 0.00 C ATOM 1649 C PHE A 107 -6.351 4.618 0.843 1.00 0.00 C ATOM 1650 O PHE A 107 -6.968 5.587 0.400 1.00 0.00 O ATOM 1651 CB PHE A 107 -3.932 4.402 1.447 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.317 5.433 0.545 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.196 6.750 0.958 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.860 5.085 -0.716 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.630 7.702 0.130 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.293 6.032 -1.548 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.179 7.342 -1.125 1.00 0.00 C ATOM 0 H PHE A 107 -5.040 3.206 3.305 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.311 5.834 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.273 4.237 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.001 3.456 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.548 7.036 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.948 4.063 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.541 8.725 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.939 5.748 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.738 8.084 -1.775 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.528 3.380 0.394 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.479 3.083 -0.671 1.00 0.00 C ATOM 1669 C TYR A 108 -8.777 3.862 -0.476 1.00 0.00 C ATOM 1670 O TYR A 108 -9.303 4.458 -1.416 1.00 0.00 O ATOM 1671 CB TYR A 108 -7.774 1.583 -0.715 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.896 1.214 -1.659 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -8.700 1.212 -3.035 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -10.151 0.868 -1.176 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -9.723 0.876 -3.901 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -11.179 0.530 -2.034 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.960 0.535 -3.396 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.982 0.200 -4.255 1.00 0.00 O ATOM 0 H TYR A 108 -6.026 2.567 0.751 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.032 3.388 -1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.870 1.052 -1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.028 1.242 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.732 1.477 -3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.326 0.863 -0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.555 0.880 -4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.149 0.263 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.786 -0.015 -3.738 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.286 3.852 0.752 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.522 4.556 1.071 1.00 0.00 C ATOM 1690 C ARG A 109 -10.420 6.031 0.696 1.00 0.00 C ATOM 1691 O ARG A 109 -11.370 6.617 0.174 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.841 4.419 2.561 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.220 4.937 2.939 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.710 4.319 4.239 1.00 0.00 C ATOM 1695 NE ARG A 109 -14.087 4.700 4.541 1.00 0.00 N ATOM 1696 CZ ARG A 109 -14.657 4.519 5.727 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -13.971 3.965 6.717 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -15.915 4.892 5.924 1.00 0.00 N ATOM 0 H ARG A 109 -8.862 3.365 1.541 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.327 4.106 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.766 3.369 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.089 4.959 3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.187 6.022 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.926 4.713 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.640 3.233 4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.060 4.631 5.056 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.642 5.129 3.800 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.004 3.677 6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.410 3.827 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.445 5.318 5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.352 4.752 6.835 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.263 6.626 0.965 1.00 0.00 N ATOM 1713 CA CYS A 110 -9.037 8.034 0.656 1.00 0.00 C ATOM 1714 C CYS A 110 -9.061 8.271 -0.850 1.00 0.00 C ATOM 1715 O CYS A 110 -9.773 9.148 -1.341 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.700 8.496 1.236 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.584 8.346 3.035 1.00 0.00 S ATOM 0 H CYS A 110 -8.467 6.156 1.396 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.841 8.614 1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.898 7.914 0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.536 9.537 0.958 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.549 7.089 3.364 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.276 7.485 -1.580 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.205 7.610 -3.032 1.00 0.00 C ATOM 1725 C LEU A 111 -9.600 7.595 -3.648 1.00 0.00 C ATOM 1726 O LEU A 111 -9.927 8.429 -4.493 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.363 6.477 -3.620 1.00 0.00 C ATOM 1728 CG LEU A 111 -5.978 6.280 -3.003 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.390 4.943 -3.426 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.051 7.421 -3.397 1.00 0.00 C ATOM 0 H LEU A 111 -7.680 6.755 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.734 8.564 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.920 5.546 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.241 6.659 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.082 6.281 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.404 4.821 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.043 4.137 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.301 4.912 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.070 7.264 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.953 7.452 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.465 8.365 -3.043 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.421 6.642 -3.219 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.783 6.519 -3.726 1.00 0.00 C ATOM 1744 C VAL A 112 -12.517 7.854 -3.655 1.00 0.00 C ATOM 1745 O VAL A 112 -13.273 8.205 -4.560 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.582 5.464 -2.939 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.020 5.405 -3.432 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -11.916 4.101 -3.049 1.00 0.00 C ATOM 0 H VAL A 112 -10.167 5.943 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.707 6.204 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.595 5.753 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.569 4.654 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.491 6.378 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.032 5.140 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.494 3.367 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.870 3.802 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.906 4.156 -2.643 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.289 8.592 -2.574 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.929 9.889 -2.386 1.00 0.00 C ATOM 1760 C GLN A 113 -12.402 10.908 -3.391 1.00 0.00 C ATOM 1761 O GLN A 113 -13.173 11.634 -4.018 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.698 10.393 -0.960 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.554 9.690 0.080 1.00 0.00 C ATOM 1764 CD GLN A 113 -13.539 10.395 1.422 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -12.598 11.121 1.744 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -14.584 10.185 2.214 1.00 0.00 N ATOM 0 H GLN A 113 -11.666 8.315 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.999 9.765 -2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.647 10.261 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.903 11.463 -0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.580 9.628 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.198 8.668 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.342 9.576 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -14.629 10.633 3.129 1.00 0.00 H new ATOM 1775 N LYS A 114 -11.082 10.957 -3.538 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.450 11.886 -4.467 1.00 0.00 C ATOM 1777 C LYS A 114 -10.953 11.660 -5.889 1.00 0.00 C ATOM 1778 O LYS A 114 -11.092 12.604 -6.666 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.928 11.729 -4.421 1.00 0.00 C ATOM 1780 CG LYS A 114 -8.254 12.626 -3.398 1.00 0.00 C ATOM 1781 CD LYS A 114 -8.139 11.941 -2.046 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.916 12.423 -1.280 1.00 0.00 C ATOM 1783 NZ LYS A 114 -7.033 12.151 0.179 1.00 0.00 N ATOM 0 H LYS A 114 -10.429 10.364 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.714 12.899 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.685 10.690 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.519 11.946 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.261 12.902 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.823 13.550 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.037 12.137 -1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.079 10.862 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.025 11.931 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.785 13.493 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.820 13.018 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.001 11.839 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.360 11.405 0.448 1.00 0.00 H new ATOM 1797 N GLY A 115 -11.225 10.402 -6.223 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.710 10.076 -7.551 1.00 0.00 C ATOM 1799 C GLY A 115 -10.677 9.343 -8.383 1.00 0.00 C ATOM 1800 O GLY A 115 -10.665 9.451 -9.610 1.00 0.00 O ATOM 0 H GLY A 115 -11.118 9.603 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.606 9.461 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -12.000 10.993 -8.064 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.804 8.596 -7.715 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.759 7.843 -8.400 1.00 0.00 C ATOM 1806 C LEU A 116 -9.228 6.426 -8.716 1.00 0.00 C ATOM 1807 O LEU A 116 -9.062 5.941 -9.835 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.493 7.795 -7.544 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.717 9.107 -7.420 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.805 9.074 -6.202 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.912 9.372 -8.684 1.00 0.00 C ATOM 0 H LEU A 116 -9.799 8.496 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.536 8.350 -9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.768 7.462 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.826 7.039 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.432 9.920 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.261 10.016 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.404 8.931 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.096 8.252 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.366 10.310 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.206 8.557 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.587 9.439 -9.538 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.816 5.767 -7.722 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.311 4.407 -7.894 1.00 0.00 C ATOM 1825 C VAL A 117 -11.832 4.361 -7.803 1.00 0.00 C ATOM 1826 O VAL A 117 -12.400 4.344 -6.710 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.716 3.455 -6.840 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.276 2.051 -7.011 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.197 3.446 -6.929 1.00 0.00 C ATOM 0 H VAL A 117 -9.961 6.154 -6.789 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.998 4.080 -8.886 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.998 3.814 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.844 1.393 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.359 2.075 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.026 1.678 -8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.792 2.768 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.893 3.111 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.816 4.452 -6.753 1.00 0.00 H new