USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 84 ASN : amide:sc= -5.29! C(o=-3.9!,f=-5!) USER MOD Set 1.2: A 85 THR OG1 : rot -72:sc= 1.39 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.0323 USER MOD Set 2.2: A 67 GLN : amide:sc= 0.0352 X(o=0.067,f=0.031) USER MOD Set 3.1: A 23 MET CE :methyl 142:sc= -3.49! (180deg=-1.48!) USER MOD Set 3.2: A 34 ASN : amide:sc= -6.9! C(o=-10!,f=-15!) USER MOD Set 4.1: A 14 THR OG1 : rot 90:sc= -0.107 USER MOD Set 4.2: A 16 LYS NZ :NH3+ -166:sc= -0.0374 (180deg=-0.579) USER MOD Set 5.1: A 9 LYS NZ :NH3+ -164:sc= -0.265 (180deg=0) USER MOD Set 5.2: A 10 HIS : no HE2:sc= -2.12 K(o=-2.4,f=-11!) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.156 (180deg=-0.156) USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.57 USER MOD Single : A 7 GLN :FLIP amide:sc= -4.44! C(o=-11!,f=-4.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 60:sc= -2! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= -0.215 (180deg=-1.52!) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -9.19! (180deg=-9.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -0.341 (180deg=-1.08) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0308 (180deg=-0.6) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.37 F(o=-2.1,f=-1.4) USER MOD Single : A 55 THR OG1 : rot -43:sc= -0.0662! USER MOD Single : A 59 SER OG : rot 132:sc= 2.06 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.0502 (180deg=-0.656) USER MOD Single : A 76 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-1.9!) USER MOD Single : A 77 TYR OH : rot 92:sc= -0.465! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.52 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.0617 F(o=-0.58,f=-0.062) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -1.23 F(o=-1.8,f=-1.2) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.679 9.886 1.489 1.00 1.00 N HETATM 2 CA PCA A 1 -7.280 11.203 1.262 1.00 1.00 C HETATM 3 CB PCA A 1 -6.398 12.176 1.966 1.00 1.00 C HETATM 4 CG PCA A 1 -5.304 11.386 2.323 1.00 1.00 C HETATM 5 CD PCA A 1 -5.537 9.970 2.282 1.00 1.00 C HETATM 6 OE PCA A 1 -4.922 8.972 2.801 1.00 1.00 O HETATM 7 C PCA A 1 -7.367 11.516 -0.223 1.00 1.00 C HETATM 8 O PCA A 1 -7.854 12.559 -0.610 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.632 9.698 2.511 1.00 1.00 H new HETATM 0 HA PCA A 1 -8.301 11.246 1.640 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -6.107 13.003 1.318 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.887 12.610 2.838 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.473 11.621 1.658 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.992 11.658 3.331 1.00 1.00 H new ATOM 15 N ASP A 2 -6.902 10.625 -1.056 1.00 1.00 N ATOM 16 CA ASP A 2 -6.957 10.870 -2.525 1.00 1.00 C ATOM 17 C ASP A 2 -6.430 9.628 -3.249 1.00 1.00 C ATOM 18 O ASP A 2 -5.306 9.212 -3.050 1.00 1.00 O ATOM 19 CB ASP A 2 -6.092 12.089 -2.877 1.00 1.00 C ATOM 20 CG ASP A 2 -6.965 13.346 -2.937 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.815 13.412 -3.809 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.768 14.219 -2.108 1.00 1.00 O ATOM 0 H ASP A 2 -6.485 9.735 -0.781 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.984 11.068 -2.833 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.307 12.216 -2.132 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.599 11.932 -3.836 1.00 1.00 H new ATOM 27 N TRP A 3 -7.234 9.027 -4.081 1.00 1.00 N ATOM 28 CA TRP A 3 -6.781 7.808 -4.808 1.00 1.00 C ATOM 29 C TRP A 3 -5.391 8.058 -5.403 1.00 1.00 C ATOM 30 O TRP A 3 -4.590 7.154 -5.534 1.00 1.00 O ATOM 31 CB TRP A 3 -7.801 7.480 -5.909 1.00 1.00 C ATOM 32 CG TRP A 3 -7.175 6.662 -6.997 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.223 6.972 -8.311 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.431 5.409 -6.900 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.548 6.001 -9.027 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.042 5.017 -8.203 1.00 1.00 C ATOM 37 CE3 TRP A 3 -6.053 4.585 -5.822 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.307 3.851 -8.429 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.314 3.413 -6.048 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.942 3.047 -7.348 1.00 1.00 C ATOM 0 H TRP A 3 -8.186 9.327 -4.289 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.714 6.960 -4.127 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.643 6.937 -5.479 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.199 8.404 -6.328 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.710 7.838 -8.734 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.438 6.011 -10.041 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.334 4.857 -4.815 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.023 3.573 -9.433 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -5.030 2.789 -5.213 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.373 2.144 -7.514 1.00 1.00 H new ATOM 51 N GLU A 4 -5.093 9.280 -5.751 1.00 1.00 N ATOM 52 CA GLU A 4 -3.751 9.581 -6.325 1.00 1.00 C ATOM 53 C GLU A 4 -2.668 9.295 -5.280 1.00 1.00 C ATOM 54 O GLU A 4 -2.002 8.284 -5.329 1.00 1.00 O ATOM 55 CB GLU A 4 -3.689 11.054 -6.737 1.00 1.00 C ATOM 56 CG GLU A 4 -4.546 11.271 -7.986 1.00 1.00 C ATOM 57 CD GLU A 4 -3.853 10.644 -9.197 1.00 1.00 C ATOM 58 OE1 GLU A 4 -2.742 10.167 -9.038 1.00 1.00 O ATOM 59 OE2 GLU A 4 -4.445 10.654 -10.263 1.00 1.00 O ATOM 0 H GLU A 4 -5.719 10.081 -5.663 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.583 8.952 -7.200 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.046 11.685 -5.924 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.657 11.344 -6.936 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.531 10.825 -7.846 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.700 12.337 -8.153 1.00 1.00 H new ATOM 66 N THR A 5 -2.484 10.173 -4.333 1.00 1.00 N ATOM 67 CA THR A 5 -1.438 9.928 -3.301 1.00 1.00 C ATOM 68 C THR A 5 -1.632 8.534 -2.711 1.00 1.00 C ATOM 69 O THR A 5 -0.711 7.744 -2.650 1.00 1.00 O ATOM 70 CB THR A 5 -1.545 10.977 -2.195 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.497 10.780 -1.258 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.896 10.854 -1.489 1.00 1.00 C ATOM 0 H THR A 5 -3.008 11.042 -4.229 1.00 1.00 H new ATOM 0 HA THR A 5 -0.451 9.997 -3.759 1.00 1.00 H new ATOM 0 HB THR A 5 -1.462 11.972 -2.632 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.463 11.540 -0.640 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.965 11.605 -0.702 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.699 11.009 -2.210 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.989 9.860 -1.051 1.00 1.00 H new ATOM 80 N PHE A 6 -2.824 8.215 -2.283 1.00 1.00 N ATOM 81 CA PHE A 6 -3.058 6.863 -1.714 1.00 1.00 C ATOM 82 C PHE A 6 -2.494 5.825 -2.684 1.00 1.00 C ATOM 83 O PHE A 6 -2.158 4.723 -2.304 1.00 1.00 O ATOM 84 CB PHE A 6 -4.565 6.637 -1.521 1.00 1.00 C ATOM 85 CG PHE A 6 -4.838 5.170 -1.273 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.848 4.272 -2.347 1.00 1.00 C ATOM 87 CD2 PHE A 6 -5.083 4.706 0.025 1.00 1.00 C ATOM 88 CE1 PHE A 6 -5.101 2.914 -2.127 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.336 3.346 0.245 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.345 2.451 -0.831 1.00 1.00 C ATOM 0 H PHE A 6 -3.638 8.829 -2.304 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.565 6.772 -0.746 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.926 7.230 -0.681 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.108 6.973 -2.405 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.660 4.629 -3.349 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.077 5.396 0.856 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -5.108 2.224 -2.958 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.524 2.988 1.246 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.540 1.403 -0.660 1.00 1.00 H new ATOM 100 N GLN A 7 -2.378 6.173 -3.938 1.00 1.00 N ATOM 101 CA GLN A 7 -1.825 5.209 -4.927 1.00 1.00 C ATOM 102 C GLN A 7 -0.309 5.387 -4.998 1.00 1.00 C ATOM 103 O GLN A 7 0.406 4.534 -5.486 1.00 1.00 O ATOM 104 CB GLN A 7 -2.444 5.464 -6.307 1.00 1.00 C ATOM 105 CG GLN A 7 -1.785 4.553 -7.353 1.00 1.00 C ATOM 106 CD GLN A 7 -0.546 5.235 -7.946 1.00 1.00 C ATOM 107 OE1 GLN A 7 -0.109 6.349 -7.427 1.00 1.00 O flip ATOM 108 NE2 GLN A 7 0.032 4.743 -8.896 1.00 1.00 N flip ATOM 0 H GLN A 7 -2.642 7.082 -4.318 1.00 1.00 H new ATOM 0 HA GLN A 7 -2.062 4.191 -4.619 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.517 5.277 -6.274 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.311 6.509 -6.587 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.503 3.606 -6.894 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.497 4.323 -8.146 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.307 3.872 -9.304 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.856 5.201 -9.285 1.00 1.00 H new ATOM 117 N LYS A 8 0.186 6.506 -4.541 1.00 1.00 N ATOM 118 CA LYS A 8 1.654 6.756 -4.607 1.00 1.00 C ATOM 119 C LYS A 8 2.368 6.189 -3.371 1.00 1.00 C ATOM 120 O LYS A 8 3.353 5.487 -3.488 1.00 1.00 O ATOM 121 CB LYS A 8 1.894 8.265 -4.684 1.00 1.00 C ATOM 122 CG LYS A 8 1.111 8.852 -5.868 1.00 1.00 C ATOM 123 CD LYS A 8 1.971 8.796 -7.133 1.00 1.00 C ATOM 124 CE LYS A 8 1.159 9.305 -8.325 1.00 1.00 C ATOM 125 NZ LYS A 8 2.050 9.434 -9.513 1.00 1.00 N ATOM 0 H LYS A 8 -0.364 7.258 -4.125 1.00 1.00 H new ATOM 0 HA LYS A 8 2.055 6.259 -5.490 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.580 8.741 -3.755 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.958 8.469 -4.802 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.188 8.293 -6.019 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.828 9.883 -5.654 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.867 9.403 -7.004 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.303 7.774 -7.315 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.342 8.617 -8.543 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.709 10.269 -8.088 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.499 9.780 -10.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.815 10.106 -9.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.459 8.506 -9.743 1.00 1.00 H new ATOM 139 N LYS A 9 1.908 6.508 -2.190 1.00 1.00 N ATOM 140 CA LYS A 9 2.598 6.006 -0.962 1.00 1.00 C ATOM 141 C LYS A 9 2.086 4.616 -0.553 1.00 1.00 C ATOM 142 O LYS A 9 2.862 3.717 -0.304 1.00 1.00 O ATOM 143 CB LYS A 9 2.367 6.993 0.190 1.00 1.00 C ATOM 144 CG LYS A 9 0.965 7.600 0.083 1.00 1.00 C ATOM 145 CD LYS A 9 0.565 8.201 1.434 1.00 1.00 C ATOM 146 CE LYS A 9 -0.817 8.850 1.320 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.408 8.999 2.680 1.00 1.00 N ATOM 0 H LYS A 9 1.089 7.091 -2.021 1.00 1.00 H new ATOM 0 HA LYS A 9 3.662 5.922 -1.182 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.480 6.482 1.146 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.118 7.783 0.160 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.948 8.369 -0.689 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.247 6.835 -0.214 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.551 7.424 2.199 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.301 8.942 1.746 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.735 9.824 0.839 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.467 8.239 0.694 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.429 9.179 2.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.254 8.126 3.223 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.954 9.796 3.170 1.00 1.00 H new ATOM 161 N HIS A 10 0.798 4.432 -0.450 1.00 1.00 N ATOM 162 CA HIS A 10 0.276 3.098 -0.020 1.00 1.00 C ATOM 163 C HIS A 10 0.454 2.059 -1.128 1.00 1.00 C ATOM 164 O HIS A 10 0.293 0.884 -0.895 1.00 1.00 O ATOM 165 CB HIS A 10 -1.205 3.214 0.342 1.00 1.00 C ATOM 166 CG HIS A 10 -1.406 4.383 1.267 1.00 1.00 C ATOM 167 ND1 HIS A 10 -2.448 5.285 1.103 1.00 1.00 N ATOM 168 CD2 HIS A 10 -0.708 4.810 2.369 1.00 1.00 C ATOM 169 CE1 HIS A 10 -2.348 6.201 2.083 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.307 5.957 2.880 1.00 1.00 N ATOM 0 H HIS A 10 0.088 5.139 -0.642 1.00 1.00 H new ATOM 0 HA HIS A 10 0.843 2.773 0.853 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.802 3.344 -0.561 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.546 2.296 0.820 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -3.160 5.258 0.373 1.00 1.00 H new ATOM 0 HD2 HIS A 10 0.170 4.330 2.776 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -3.027 7.031 2.209 1.00 1.00 H new ATOM 179 N LEU A 11 0.783 2.471 -2.326 1.00 1.00 N ATOM 180 CA LEU A 11 0.965 1.482 -3.438 1.00 1.00 C ATOM 181 C LEU A 11 2.295 1.742 -4.143 1.00 1.00 C ATOM 182 O LEU A 11 2.805 2.845 -4.140 1.00 1.00 O ATOM 183 CB LEU A 11 -0.170 1.640 -4.459 1.00 1.00 C ATOM 184 CG LEU A 11 -1.346 0.731 -4.094 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.969 1.181 -2.765 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.396 0.804 -5.205 1.00 1.00 C ATOM 0 H LEU A 11 0.934 3.446 -2.584 1.00 1.00 H new ATOM 0 HA LEU A 11 0.954 0.475 -3.022 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.500 2.678 -4.488 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.193 1.393 -5.457 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.991 -0.294 -3.986 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.805 0.527 -2.515 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.219 1.129 -1.976 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.326 2.206 -2.859 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.238 0.159 -4.953 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.745 1.831 -5.309 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.954 0.474 -6.145 1.00 1.00 H new ATOM 198 N THR A 12 2.848 0.735 -4.766 1.00 1.00 N ATOM 199 CA THR A 12 4.137 0.923 -5.497 1.00 1.00 C ATOM 200 C THR A 12 4.043 0.239 -6.862 1.00 1.00 C ATOM 201 O THR A 12 2.969 -0.107 -7.314 1.00 1.00 O ATOM 202 CB THR A 12 5.299 0.329 -4.691 1.00 1.00 C ATOM 203 OG1 THR A 12 6.461 0.307 -5.507 1.00 1.00 O ATOM 204 CG2 THR A 12 4.968 -1.097 -4.233 1.00 1.00 C ATOM 0 H THR A 12 2.464 -0.209 -4.801 1.00 1.00 H new ATOM 0 HA THR A 12 4.322 1.989 -5.633 1.00 1.00 H new ATOM 0 HB THR A 12 5.470 0.944 -3.807 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.682 1.220 -5.786 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.805 -1.500 -3.663 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.077 -1.080 -3.606 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.786 -1.726 -5.104 1.00 1.00 H new ATOM 212 N ASP A 13 5.152 0.056 -7.533 1.00 1.00 N ATOM 213 CA ASP A 13 5.113 -0.589 -8.882 1.00 1.00 C ATOM 214 C ASP A 13 5.948 -1.873 -8.889 1.00 1.00 C ATOM 215 O ASP A 13 6.301 -2.379 -9.936 1.00 1.00 O ATOM 216 CB ASP A 13 5.677 0.383 -9.919 1.00 1.00 C ATOM 217 CG ASP A 13 4.898 1.698 -9.863 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.679 1.642 -9.871 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.532 2.738 -9.810 1.00 1.00 O ATOM 0 H ASP A 13 6.080 0.324 -7.207 1.00 1.00 H new ATOM 0 HA ASP A 13 4.080 -0.840 -9.123 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.734 0.566 -9.725 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.607 -0.051 -10.916 1.00 1.00 H new ATOM 224 N THR A 14 6.268 -2.415 -7.745 1.00 1.00 N ATOM 225 CA THR A 14 7.076 -3.668 -7.733 1.00 1.00 C ATOM 226 C THR A 14 6.957 -4.351 -6.369 1.00 1.00 C ATOM 227 O THR A 14 6.910 -3.706 -5.341 1.00 1.00 O ATOM 228 CB THR A 14 8.544 -3.330 -8.009 1.00 1.00 C ATOM 229 OG1 THR A 14 9.296 -4.533 -8.091 1.00 1.00 O ATOM 230 CG2 THR A 14 9.088 -2.460 -6.879 1.00 1.00 C ATOM 0 H THR A 14 6.009 -2.050 -6.829 1.00 1.00 H new ATOM 0 HA THR A 14 6.704 -4.342 -8.504 1.00 1.00 H new ATOM 0 HB THR A 14 8.624 -2.787 -8.951 1.00 1.00 H new ATOM 0 HG1 THR A 14 9.306 -4.850 -9.018 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.133 -2.220 -7.076 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.509 -1.539 -6.818 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.011 -3.000 -5.935 1.00 1.00 H new ATOM 238 N LYS A 15 6.914 -5.655 -6.356 1.00 1.00 N ATOM 239 CA LYS A 15 6.806 -6.384 -5.062 1.00 1.00 C ATOM 240 C LYS A 15 8.098 -6.191 -4.268 1.00 1.00 C ATOM 241 O LYS A 15 8.140 -6.401 -3.072 1.00 1.00 O ATOM 242 CB LYS A 15 6.592 -7.875 -5.335 1.00 1.00 C ATOM 243 CG LYS A 15 7.529 -8.328 -6.458 1.00 1.00 C ATOM 244 CD LYS A 15 7.605 -9.856 -6.478 1.00 1.00 C ATOM 245 CE LYS A 15 6.236 -10.432 -6.843 1.00 1.00 C ATOM 246 NZ LYS A 15 6.387 -11.865 -7.225 1.00 1.00 N ATOM 0 H LYS A 15 6.949 -6.247 -7.186 1.00 1.00 H new ATOM 0 HA LYS A 15 5.963 -5.996 -4.490 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.785 -8.452 -4.431 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.555 -8.059 -5.616 1.00 1.00 H new ATOM 0 HG2 LYS A 15 7.167 -7.959 -7.418 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.523 -7.906 -6.308 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.353 -10.184 -7.200 1.00 1.00 H new ATOM 0 HD3 LYS A 15 7.919 -10.228 -5.503 1.00 1.00 H new ATOM 0 HE2 LYS A 15 5.553 -10.340 -5.998 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.800 -9.868 -7.668 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.457 -12.258 -7.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 7.025 -11.941 -8.043 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 6.785 -12.397 -6.425 1.00 1.00 H new ATOM 260 N LYS A 16 9.154 -5.792 -4.928 1.00 1.00 N ATOM 261 CA LYS A 16 10.454 -5.581 -4.224 1.00 1.00 C ATOM 262 C LYS A 16 10.845 -4.104 -4.313 1.00 1.00 C ATOM 263 O LYS A 16 11.862 -3.752 -4.876 1.00 1.00 O ATOM 264 CB LYS A 16 11.540 -6.437 -4.886 1.00 1.00 C ATOM 265 CG LYS A 16 11.539 -6.205 -6.402 1.00 1.00 C ATOM 266 CD LYS A 16 12.350 -7.306 -7.088 1.00 1.00 C ATOM 267 CE LYS A 16 12.698 -6.874 -8.514 1.00 1.00 C ATOM 268 NZ LYS A 16 11.512 -6.226 -9.141 1.00 1.00 N ATOM 0 H LYS A 16 9.172 -5.602 -5.930 1.00 1.00 H new ATOM 0 HA LYS A 16 10.352 -5.870 -3.178 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.516 -6.185 -4.472 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.365 -7.491 -4.671 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.516 -6.203 -6.780 1.00 1.00 H new ATOM 0 HG3 LYS A 16 11.965 -5.228 -6.631 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.262 -7.505 -6.525 1.00 1.00 H new ATOM 0 HD3 LYS A 16 11.779 -8.234 -7.108 1.00 1.00 H new ATOM 0 HE2 LYS A 16 13.539 -6.181 -8.500 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.007 -7.738 -9.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 11.661 -6.148 -10.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.665 -6.801 -8.957 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 11.381 -5.277 -8.737 1.00 1.00 H new ATOM 282 N VAL A 17 10.042 -3.233 -3.764 1.00 1.00 N ATOM 283 CA VAL A 17 10.368 -1.780 -3.822 1.00 1.00 C ATOM 284 C VAL A 17 11.782 -1.544 -3.325 1.00 1.00 C ATOM 285 O VAL A 17 12.397 -2.400 -2.721 1.00 1.00 O ATOM 286 CB VAL A 17 9.415 -0.990 -2.928 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.993 -1.123 -3.453 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.492 -1.527 -1.494 1.00 1.00 C ATOM 0 H VAL A 17 9.175 -3.465 -3.278 1.00 1.00 H new ATOM 0 HA VAL A 17 10.271 -1.452 -4.857 1.00 1.00 H new ATOM 0 HB VAL A 17 9.701 0.062 -2.933 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.315 -0.558 -2.813 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.942 -0.733 -4.469 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.702 -2.173 -3.453 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.811 -0.962 -0.857 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.209 -2.580 -1.484 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.510 -1.421 -1.120 1.00 1.00 H new ATOM 298 N LYS A 18 12.285 -0.367 -3.550 1.00 1.00 N ATOM 299 CA LYS A 18 13.647 -0.037 -3.068 1.00 1.00 C ATOM 300 C LYS A 18 13.500 0.766 -1.781 1.00 1.00 C ATOM 301 O LYS A 18 13.825 1.932 -1.722 1.00 1.00 O ATOM 302 CB LYS A 18 14.387 0.794 -4.120 1.00 1.00 C ATOM 303 CG LYS A 18 13.429 1.826 -4.723 1.00 1.00 C ATOM 304 CD LYS A 18 14.199 2.778 -5.646 1.00 1.00 C ATOM 305 CE LYS A 18 14.404 2.123 -7.016 1.00 1.00 C ATOM 306 NZ LYS A 18 13.081 1.759 -7.597 1.00 1.00 N ATOM 0 H LYS A 18 11.808 0.384 -4.050 1.00 1.00 H new ATOM 0 HA LYS A 18 14.219 -0.947 -2.888 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.241 1.297 -3.667 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.778 0.144 -4.903 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.642 1.321 -5.283 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.942 2.391 -3.928 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.650 3.713 -5.759 1.00 1.00 H new ATOM 0 HD3 LYS A 18 15.164 3.026 -5.204 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.930 2.807 -7.682 1.00 1.00 H new ATOM 0 HE3 LYS A 18 15.026 1.234 -6.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 13.087 1.948 -8.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 12.896 0.749 -7.433 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 12.335 2.325 -7.144 1.00 1.00 H new ATOM 320 N CYS A 19 12.980 0.140 -0.760 1.00 1.00 N ATOM 321 CA CYS A 19 12.762 0.834 0.541 1.00 1.00 C ATOM 322 C CYS A 19 13.817 1.926 0.770 1.00 1.00 C ATOM 323 O CYS A 19 13.511 3.016 1.217 1.00 1.00 O ATOM 324 CB CYS A 19 12.854 -0.192 1.672 1.00 1.00 C ATOM 325 SG CYS A 19 11.346 -1.189 1.703 1.00 1.00 S ATOM 0 H CYS A 19 12.693 -0.839 -0.773 1.00 1.00 H new ATOM 0 HA CYS A 19 11.778 1.302 0.524 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.724 -0.833 1.527 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.988 0.315 2.628 1.00 1.00 H new ATOM 330 N ASP A 20 15.057 1.639 0.473 1.00 1.00 N ATOM 331 CA ASP A 20 16.135 2.648 0.684 1.00 1.00 C ATOM 332 C ASP A 20 15.691 4.001 0.133 1.00 1.00 C ATOM 333 O ASP A 20 15.897 5.028 0.745 1.00 1.00 O ATOM 334 CB ASP A 20 17.405 2.195 -0.039 1.00 1.00 C ATOM 335 CG ASP A 20 18.571 3.102 0.359 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.436 4.305 0.212 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.578 2.577 0.804 1.00 1.00 O ATOM 0 H ASP A 20 15.370 0.746 0.092 1.00 1.00 H new ATOM 0 HA ASP A 20 16.336 2.743 1.751 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.632 1.160 0.217 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.254 2.231 -1.118 1.00 1.00 H new ATOM 342 N VAL A 21 15.071 4.005 -1.012 1.00 1.00 N ATOM 343 CA VAL A 21 14.599 5.286 -1.608 1.00 1.00 C ATOM 344 C VAL A 21 13.089 5.402 -1.401 1.00 1.00 C ATOM 345 O VAL A 21 12.559 6.483 -1.240 1.00 1.00 O ATOM 346 CB VAL A 21 14.916 5.290 -3.103 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.939 6.730 -3.623 1.00 1.00 C ATOM 348 CG2 VAL A 21 16.283 4.643 -3.332 1.00 1.00 C ATOM 0 H VAL A 21 14.869 3.172 -1.565 1.00 1.00 H new ATOM 0 HA VAL A 21 15.099 6.129 -1.131 1.00 1.00 H new ATOM 0 HB VAL A 21 14.150 4.728 -3.637 1.00 1.00 H new ATOM 0 HG11 VAL A 21 15.165 6.728 -4.689 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.965 7.191 -3.460 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.703 7.297 -3.091 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.512 4.644 -4.398 1.00 1.00 H new ATOM 0 HG22 VAL A 21 17.047 5.207 -2.796 1.00 1.00 H new ATOM 0 HG23 VAL A 21 16.266 3.616 -2.966 1.00 1.00 H new ATOM 358 N GLU A 22 12.394 4.297 -1.387 1.00 1.00 N ATOM 359 CA GLU A 22 10.923 4.354 -1.173 1.00 1.00 C ATOM 360 C GLU A 22 10.656 5.075 0.149 1.00 1.00 C ATOM 361 O GLU A 22 9.530 5.371 0.494 1.00 1.00 O ATOM 362 CB GLU A 22 10.352 2.928 -1.120 1.00 1.00 C ATOM 363 CG GLU A 22 9.106 2.832 -2.006 1.00 1.00 C ATOM 364 CD GLU A 22 9.509 2.995 -3.474 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.564 2.503 -3.836 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.754 3.609 -4.209 1.00 1.00 O ATOM 0 H GLU A 22 12.781 3.362 -1.514 1.00 1.00 H new ATOM 0 HA GLU A 22 10.443 4.890 -1.992 1.00 1.00 H new ATOM 0 HB2 GLU A 22 11.103 2.213 -1.456 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.099 2.666 -0.093 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.614 1.871 -1.857 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.388 3.603 -1.727 1.00 1.00 H new ATOM 373 N MET A 23 11.698 5.358 0.888 1.00 1.00 N ATOM 374 CA MET A 23 11.536 6.062 2.195 1.00 1.00 C ATOM 375 C MET A 23 12.527 7.225 2.274 1.00 1.00 C ATOM 376 O MET A 23 12.171 8.332 2.624 1.00 1.00 O ATOM 377 CB MET A 23 11.818 5.090 3.340 1.00 1.00 C ATOM 378 CG MET A 23 10.980 3.824 3.167 1.00 1.00 C ATOM 379 SD MET A 23 11.557 2.565 4.329 1.00 1.00 S ATOM 380 CE MET A 23 11.255 3.501 5.847 1.00 1.00 C ATOM 0 H MET A 23 12.661 5.130 0.640 1.00 1.00 H new ATOM 0 HA MET A 23 10.516 6.439 2.276 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.878 4.835 3.359 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.586 5.562 4.295 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.927 4.044 3.344 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.062 3.457 2.144 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.887 2.829 6.622 1.00 1.00 H new ATOM 0 HE2 MET A 23 12.184 3.964 6.180 1.00 1.00 H new ATOM 0 HE3 MET A 23 10.512 4.275 5.655 1.00 1.00 H new ATOM 390 N ALA A 24 13.771 6.983 1.959 1.00 1.00 N ATOM 391 CA ALA A 24 14.779 8.078 2.026 1.00 1.00 C ATOM 392 C ALA A 24 14.512 9.088 0.910 1.00 1.00 C ATOM 393 O ALA A 24 15.205 10.076 0.778 1.00 1.00 O ATOM 394 CB ALA A 24 16.187 7.498 1.865 1.00 1.00 C ATOM 0 H ALA A 24 14.131 6.077 1.659 1.00 1.00 H new ATOM 0 HA ALA A 24 14.704 8.576 2.993 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.920 8.303 1.915 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.379 6.782 2.664 1.00 1.00 H new ATOM 0 HB3 ALA A 24 16.265 6.995 0.901 1.00 1.00 H new ATOM 400 N LYS A 25 13.512 8.847 0.105 1.00 1.00 N ATOM 401 CA LYS A 25 13.204 9.797 -0.999 1.00 1.00 C ATOM 402 C LYS A 25 12.886 11.176 -0.404 1.00 1.00 C ATOM 403 O LYS A 25 13.548 11.628 0.509 1.00 1.00 O ATOM 404 CB LYS A 25 12.011 9.281 -1.816 1.00 1.00 C ATOM 405 CG LYS A 25 10.885 8.819 -0.880 1.00 1.00 C ATOM 406 CD LYS A 25 9.953 7.859 -1.630 1.00 1.00 C ATOM 407 CE LYS A 25 9.049 8.641 -2.595 1.00 1.00 C ATOM 408 NZ LYS A 25 7.638 8.563 -2.123 1.00 1.00 N ATOM 0 H LYS A 25 12.897 8.035 0.165 1.00 1.00 H new ATOM 0 HA LYS A 25 14.066 9.881 -1.661 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.645 10.068 -2.475 1.00 1.00 H new ATOM 0 HB3 LYS A 25 12.327 8.454 -2.452 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.306 8.324 -0.005 1.00 1.00 H new ATOM 0 HG3 LYS A 25 10.322 9.680 -0.519 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.542 7.128 -2.184 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.343 7.303 -0.918 1.00 1.00 H new ATOM 0 HE2 LYS A 25 9.369 9.681 -2.648 1.00 1.00 H new ATOM 0 HE3 LYS A 25 9.131 8.230 -3.601 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 6.995 8.731 -2.923 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 7.457 7.619 -1.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 7.476 9.284 -1.391 1.00 1.00 H new ATOM 422 N ALA A 26 11.889 11.858 -0.913 1.00 1.00 N ATOM 423 CA ALA A 26 11.555 13.213 -0.370 1.00 1.00 C ATOM 424 C ALA A 26 10.121 13.239 0.168 1.00 1.00 C ATOM 425 O ALA A 26 9.743 14.138 0.892 1.00 1.00 O ATOM 426 CB ALA A 26 11.688 14.247 -1.489 1.00 1.00 C ATOM 0 H ALA A 26 11.294 11.538 -1.677 1.00 1.00 H new ATOM 0 HA ALA A 26 12.241 13.445 0.444 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.446 15.236 -1.101 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.711 14.245 -1.866 1.00 1.00 H new ATOM 0 HB3 ALA A 26 11.002 13.997 -2.299 1.00 1.00 H new ATOM 432 N LEU A 27 9.312 12.277 -0.184 1.00 1.00 N ATOM 433 CA LEU A 27 7.907 12.273 0.303 1.00 1.00 C ATOM 434 C LEU A 27 7.846 11.596 1.680 1.00 1.00 C ATOM 435 O LEU A 27 6.844 11.651 2.365 1.00 1.00 O ATOM 436 CB LEU A 27 7.049 11.531 -0.740 1.00 1.00 C ATOM 437 CG LEU A 27 5.970 10.668 -0.075 1.00 1.00 C ATOM 438 CD1 LEU A 27 4.950 10.252 -1.137 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.605 9.412 0.550 1.00 1.00 C ATOM 0 H LEU A 27 9.565 11.495 -0.788 1.00 1.00 H new ATOM 0 HA LEU A 27 7.523 13.286 0.422 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.578 12.255 -1.405 1.00 1.00 H new ATOM 0 HB3 LEU A 27 7.690 10.901 -1.357 1.00 1.00 H new ATOM 0 HG LEU A 27 5.480 11.240 0.712 1.00 1.00 H new ATOM 0 HD11 LEU A 27 4.176 9.637 -0.677 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.495 11.142 -1.573 1.00 1.00 H new ATOM 0 HD13 LEU A 27 5.451 9.681 -1.918 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.829 8.807 1.019 1.00 1.00 H new ATOM 0 HD22 LEU A 27 7.099 8.829 -0.227 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.337 9.710 1.301 1.00 1.00 H new ATOM 451 N PHE A 28 8.917 10.969 2.097 1.00 1.00 N ATOM 452 CA PHE A 28 8.926 10.296 3.434 1.00 1.00 C ATOM 453 C PHE A 28 9.967 10.966 4.339 1.00 1.00 C ATOM 454 O PHE A 28 9.667 11.356 5.448 1.00 1.00 O ATOM 455 CB PHE A 28 9.277 8.812 3.259 1.00 1.00 C ATOM 456 CG PHE A 28 8.010 7.986 3.176 1.00 1.00 C ATOM 457 CD1 PHE A 28 7.114 7.966 4.252 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.735 7.237 2.025 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.944 7.200 4.177 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.565 6.472 1.949 1.00 1.00 C ATOM 461 CZ PHE A 28 5.670 6.454 3.025 1.00 1.00 C ATOM 0 H PHE A 28 9.787 10.893 1.570 1.00 1.00 H new ATOM 0 HA PHE A 28 7.940 10.384 3.890 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.870 8.674 2.355 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.888 8.473 4.096 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.326 8.542 5.141 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.426 7.250 1.195 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.254 7.185 5.007 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.353 5.896 1.060 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.767 5.864 2.966 1.00 1.00 H new ATOM 471 N ASP A 29 11.183 11.092 3.870 1.00 1.00 N ATOM 472 CA ASP A 29 12.270 11.733 4.681 1.00 1.00 C ATOM 473 C ASP A 29 13.013 10.669 5.500 1.00 1.00 C ATOM 474 O ASP A 29 13.411 10.904 6.624 1.00 1.00 O ATOM 475 CB ASP A 29 11.691 12.799 5.623 1.00 1.00 C ATOM 476 CG ASP A 29 12.769 13.835 5.951 1.00 1.00 C ATOM 477 OD1 ASP A 29 13.577 13.565 6.824 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.769 14.881 5.323 1.00 1.00 O ATOM 0 H ASP A 29 11.475 10.774 2.946 1.00 1.00 H new ATOM 0 HA ASP A 29 12.968 12.215 3.996 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.835 13.286 5.155 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.331 12.332 6.539 1.00 1.00 H new ATOM 483 N CYS A 30 13.219 9.510 4.935 1.00 1.00 N ATOM 484 CA CYS A 30 13.957 8.432 5.663 1.00 1.00 C ATOM 485 C CYS A 30 13.310 8.149 7.024 1.00 1.00 C ATOM 486 O CYS A 30 13.874 8.448 8.059 1.00 1.00 O ATOM 487 CB CYS A 30 15.409 8.873 5.876 1.00 1.00 C ATOM 488 SG CYS A 30 16.327 7.559 6.719 1.00 1.00 S ATOM 0 H CYS A 30 12.907 9.260 3.996 1.00 1.00 H new ATOM 0 HA CYS A 30 13.921 7.521 5.066 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.875 9.098 4.917 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.439 9.788 6.468 1.00 1.00 H new ATOM 493 N LYS A 31 12.141 7.566 7.040 1.00 1.00 N ATOM 494 CA LYS A 31 11.481 7.259 8.344 1.00 1.00 C ATOM 495 C LYS A 31 12.113 6.003 8.952 1.00 1.00 C ATOM 496 O LYS A 31 13.319 5.868 9.008 1.00 1.00 O ATOM 497 CB LYS A 31 9.985 7.010 8.125 1.00 1.00 C ATOM 498 CG LYS A 31 9.384 8.118 7.255 1.00 1.00 C ATOM 499 CD LYS A 31 9.575 9.490 7.915 1.00 1.00 C ATOM 500 CE LYS A 31 9.028 9.471 9.345 1.00 1.00 C ATOM 501 NZ LYS A 31 8.680 10.859 9.760 1.00 1.00 N ATOM 0 H LYS A 31 11.616 7.290 6.210 1.00 1.00 H new ATOM 0 HA LYS A 31 11.614 8.105 9.018 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.837 6.042 7.647 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.471 6.973 9.085 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.857 8.113 6.273 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.322 7.929 7.099 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.633 9.752 7.926 1.00 1.00 H new ATOM 0 HD3 LYS A 31 9.063 10.256 7.332 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.147 8.831 9.401 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.770 9.052 10.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.308 10.848 10.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.530 11.456 9.722 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.958 11.243 9.117 1.00 1.00 H new ATOM 515 N LYS A 32 11.304 5.082 9.411 1.00 1.00 N ATOM 516 CA LYS A 32 11.850 3.832 10.021 1.00 1.00 C ATOM 517 C LYS A 32 10.993 2.633 9.600 1.00 1.00 C ATOM 518 O LYS A 32 11.480 1.529 9.466 1.00 1.00 O ATOM 519 CB LYS A 32 11.827 3.959 11.546 1.00 1.00 C ATOM 520 CG LYS A 32 10.387 4.179 12.018 1.00 1.00 C ATOM 521 CD LYS A 32 10.374 4.482 13.520 1.00 1.00 C ATOM 522 CE LYS A 32 10.595 3.191 14.313 1.00 1.00 C ATOM 523 NZ LYS A 32 10.286 3.435 15.751 1.00 1.00 N ATOM 0 H LYS A 32 10.286 5.142 9.389 1.00 1.00 H new ATOM 0 HA LYS A 32 12.874 3.682 9.679 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.237 3.058 12.003 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.456 4.791 11.862 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.936 5.004 11.467 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.787 3.293 11.811 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.153 5.205 13.761 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.422 4.933 13.801 1.00 1.00 H new ATOM 0 HE2 LYS A 32 9.958 2.397 13.922 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.626 2.855 14.203 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.435 2.559 16.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.911 4.180 16.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.295 3.736 15.847 1.00 1.00 H new ATOM 537 N THR A 33 9.720 2.842 9.388 1.00 1.00 N ATOM 538 CA THR A 33 8.830 1.715 8.974 1.00 1.00 C ATOM 539 C THR A 33 7.890 2.195 7.868 1.00 1.00 C ATOM 540 O THR A 33 7.280 3.241 7.972 1.00 1.00 O ATOM 541 CB THR A 33 8.008 1.246 10.177 1.00 1.00 C ATOM 542 OG1 THR A 33 8.855 1.126 11.310 1.00 1.00 O ATOM 543 CG2 THR A 33 7.372 -0.109 9.866 1.00 1.00 C ATOM 0 H THR A 33 9.257 3.746 9.484 1.00 1.00 H new ATOM 0 HA THR A 33 9.435 0.887 8.605 1.00 1.00 H new ATOM 0 HB THR A 33 7.223 1.973 10.386 1.00 1.00 H new ATOM 0 HG1 THR A 33 8.329 0.827 12.081 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.787 -0.442 10.723 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.721 -0.014 8.997 1.00 1.00 H new ATOM 0 HG23 THR A 33 8.154 -0.838 9.655 1.00 1.00 H new ATOM 551 N ASN A 34 7.769 1.442 6.807 1.00 1.00 N ATOM 552 CA ASN A 34 6.870 1.861 5.691 1.00 1.00 C ATOM 553 C ASN A 34 6.181 0.633 5.091 1.00 1.00 C ATOM 554 O ASN A 34 6.693 -0.467 5.142 1.00 1.00 O ATOM 555 CB ASN A 34 7.696 2.556 4.604 1.00 1.00 C ATOM 556 CG ASN A 34 7.879 4.034 4.958 1.00 1.00 C ATOM 557 OD1 ASN A 34 8.098 4.374 6.104 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.798 4.933 4.016 1.00 1.00 N ATOM 0 H ASN A 34 8.253 0.556 6.665 1.00 1.00 H new ATOM 0 HA ASN A 34 6.116 2.547 6.077 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.668 2.072 4.508 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.197 2.463 3.639 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.918 5.920 4.242 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.614 4.648 3.054 1.00 1.00 H new ATOM 565 N THR A 35 5.021 0.821 4.521 1.00 1.00 N ATOM 566 CA THR A 35 4.285 -0.324 3.912 1.00 1.00 C ATOM 567 C THR A 35 3.644 0.125 2.596 1.00 1.00 C ATOM 568 O THR A 35 3.339 1.286 2.405 1.00 1.00 O ATOM 569 CB THR A 35 3.194 -0.799 4.877 1.00 1.00 C ATOM 570 OG1 THR A 35 3.801 -1.418 6.003 1.00 1.00 O ATOM 571 CG2 THR A 35 2.279 -1.802 4.172 1.00 1.00 C ATOM 0 H THR A 35 4.550 1.723 4.451 1.00 1.00 H new ATOM 0 HA THR A 35 4.979 -1.142 3.717 1.00 1.00 H new ATOM 0 HB THR A 35 2.602 0.056 5.204 1.00 1.00 H new ATOM 0 HG1 THR A 35 3.106 -1.722 6.623 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.505 -2.136 4.863 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.814 -1.326 3.309 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.865 -2.659 3.841 1.00 1.00 H new ATOM 579 N PHE A 36 3.420 -0.792 1.694 1.00 1.00 N ATOM 580 CA PHE A 36 2.777 -0.428 0.393 1.00 1.00 C ATOM 581 C PHE A 36 2.068 -1.669 -0.146 1.00 1.00 C ATOM 582 O PHE A 36 2.168 -2.731 0.429 1.00 1.00 O ATOM 583 CB PHE A 36 3.827 0.046 -0.632 1.00 1.00 C ATOM 584 CG PHE A 36 5.080 0.529 0.063 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.872 -0.371 0.779 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.460 1.874 -0.029 1.00 1.00 C ATOM 587 CE1 PHE A 36 7.041 0.068 1.407 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.632 2.315 0.595 1.00 1.00 C ATOM 589 CZ PHE A 36 7.423 1.411 1.314 1.00 1.00 C ATOM 0 H PHE A 36 3.654 -1.779 1.800 1.00 1.00 H new ATOM 0 HA PHE A 36 2.072 0.388 0.554 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.074 -0.771 -1.310 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.411 0.849 -1.240 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.581 -1.409 0.848 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.848 2.571 -0.582 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.649 -0.629 1.964 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.926 3.352 0.522 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.328 1.750 1.797 1.00 1.00 H new ATOM 599 N ILE A 37 1.345 -1.551 -1.233 1.00 1.00 N ATOM 600 CA ILE A 37 0.629 -2.737 -1.783 1.00 1.00 C ATOM 601 C ILE A 37 1.025 -2.952 -3.242 1.00 1.00 C ATOM 602 O ILE A 37 1.112 -2.018 -4.023 1.00 1.00 O ATOM 603 CB ILE A 37 -0.883 -2.510 -1.679 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.261 -2.219 -0.214 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.621 -3.762 -2.158 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.571 -1.424 -0.154 1.00 1.00 C ATOM 0 H ILE A 37 1.222 -0.686 -1.760 1.00 1.00 H new ATOM 0 HA ILE A 37 0.902 -3.624 -1.210 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.166 -1.661 -2.301 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.369 -3.155 0.334 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.463 -1.656 0.270 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.697 -3.601 -2.084 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.355 -3.967 -3.195 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.338 -4.611 -1.536 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.828 -1.224 0.886 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.448 -0.480 -0.685 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.369 -2.002 -0.620 1.00 1.00 H new ATOM 618 N TYR A 38 1.274 -4.183 -3.614 1.00 1.00 N ATOM 619 CA TYR A 38 1.664 -4.474 -5.024 1.00 1.00 C ATOM 620 C TYR A 38 0.421 -4.890 -5.813 1.00 1.00 C ATOM 621 O TYR A 38 0.008 -6.032 -5.781 1.00 1.00 O ATOM 622 CB TYR A 38 2.687 -5.613 -5.050 1.00 1.00 C ATOM 623 CG TYR A 38 3.046 -5.936 -6.481 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.679 -4.975 -7.278 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.744 -7.197 -7.013 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.011 -5.273 -8.606 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.076 -7.495 -8.340 1.00 1.00 C ATOM 628 CZ TYR A 38 3.709 -6.533 -9.136 1.00 1.00 C ATOM 629 OH TYR A 38 4.036 -6.826 -10.445 1.00 1.00 O ATOM 0 H TYR A 38 1.224 -4.997 -3.001 1.00 1.00 H new ATOM 0 HA TYR A 38 2.104 -3.583 -5.472 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.581 -5.326 -4.496 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.277 -6.495 -4.559 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.912 -4.003 -6.869 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.255 -7.939 -6.399 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.500 -4.531 -9.220 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.844 -8.467 -8.750 1.00 1.00 H new ATOM 0 HH TYR A 38 3.759 -7.742 -10.654 1.00 1.00 H new ATOM 639 N ALA A 39 -0.181 -3.972 -6.520 1.00 1.00 N ATOM 640 CA ALA A 39 -1.400 -4.317 -7.309 1.00 1.00 C ATOM 641 C ALA A 39 -1.473 -3.423 -8.549 1.00 1.00 C ATOM 642 O ALA A 39 -0.966 -2.319 -8.560 1.00 1.00 O ATOM 643 CB ALA A 39 -2.644 -4.097 -6.447 1.00 1.00 C ATOM 0 H ALA A 39 0.118 -2.999 -6.586 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.352 -5.362 -7.616 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.535 -4.349 -7.023 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.591 -4.733 -5.563 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.694 -3.052 -6.140 1.00 1.00 H new ATOM 649 N LEU A 40 -2.099 -3.891 -9.596 1.00 1.00 N ATOM 650 CA LEU A 40 -2.200 -3.065 -10.831 1.00 1.00 C ATOM 651 C LEU A 40 -3.368 -2.068 -10.678 1.00 1.00 C ATOM 652 O LEU A 40 -4.381 -2.381 -10.086 1.00 1.00 O ATOM 653 CB LEU A 40 -2.380 -4.001 -12.044 1.00 1.00 C ATOM 654 CG LEU A 40 -3.860 -4.191 -12.396 1.00 1.00 C ATOM 655 CD1 LEU A 40 -4.284 -3.113 -13.393 1.00 1.00 C ATOM 656 CD2 LEU A 40 -4.059 -5.571 -13.035 1.00 1.00 C ATOM 0 H LEU A 40 -2.543 -4.808 -9.648 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.292 -2.484 -10.991 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.851 -3.589 -12.904 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.930 -4.970 -11.827 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.462 -4.115 -11.491 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -5.336 -3.245 -13.646 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -4.138 -2.129 -12.948 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.681 -3.196 -14.297 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -5.111 -5.708 -13.286 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.458 -5.642 -13.941 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.750 -6.345 -12.333 1.00 1.00 H new ATOM 668 N PRO A 41 -3.215 -0.861 -11.181 1.00 1.00 N ATOM 669 CA PRO A 41 -4.262 0.202 -11.067 1.00 1.00 C ATOM 670 C PRO A 41 -5.675 -0.280 -11.425 1.00 1.00 C ATOM 671 O PRO A 41 -6.603 -0.135 -10.655 1.00 1.00 O ATOM 672 CB PRO A 41 -3.820 1.269 -12.073 1.00 1.00 C ATOM 673 CG PRO A 41 -2.353 1.070 -12.274 1.00 1.00 C ATOM 674 CD PRO A 41 -2.027 -0.382 -11.908 1.00 1.00 C ATOM 0 HA PRO A 41 -4.334 0.551 -10.037 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.360 1.164 -13.014 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.029 2.270 -11.696 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.077 1.275 -13.308 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.784 1.759 -11.650 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.839 -0.982 -12.798 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.132 -0.443 -11.288 1.00 1.00 H new ATOM 682 N GLY A 42 -5.846 -0.823 -12.596 1.00 1.00 N ATOM 683 CA GLY A 42 -7.203 -1.284 -13.016 1.00 1.00 C ATOM 684 C GLY A 42 -7.827 -2.179 -11.941 1.00 1.00 C ATOM 685 O GLY A 42 -8.940 -1.963 -11.520 1.00 1.00 O ATOM 0 H GLY A 42 -5.106 -0.969 -13.283 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.846 -0.422 -13.197 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.132 -1.831 -13.956 1.00 1.00 H new ATOM 689 N ARG A 43 -7.126 -3.186 -11.503 1.00 1.00 N ATOM 690 CA ARG A 43 -7.690 -4.097 -10.465 1.00 1.00 C ATOM 691 C ARG A 43 -7.940 -3.327 -9.163 1.00 1.00 C ATOM 692 O ARG A 43 -8.810 -3.671 -8.389 1.00 1.00 O ATOM 693 CB ARG A 43 -6.705 -5.238 -10.195 1.00 1.00 C ATOM 694 CG ARG A 43 -7.346 -6.248 -9.241 1.00 1.00 C ATOM 695 CD ARG A 43 -6.557 -7.560 -9.276 1.00 1.00 C ATOM 696 NE ARG A 43 -7.190 -8.542 -8.352 1.00 1.00 N ATOM 697 CZ ARG A 43 -6.865 -9.804 -8.420 1.00 1.00 C ATOM 698 NH1 ARG A 43 -5.986 -10.206 -9.296 1.00 1.00 N ATOM 699 NH2 ARG A 43 -7.420 -10.665 -7.610 1.00 1.00 N ATOM 0 H ARG A 43 -6.185 -3.419 -11.819 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.635 -4.502 -10.828 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -6.433 -5.727 -11.130 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.786 -4.844 -9.761 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -7.360 -5.848 -8.227 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -8.382 -6.427 -9.528 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -6.537 -7.959 -10.290 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -5.522 -7.383 -8.983 1.00 1.00 H new ATOM 0 HE ARG A 43 -7.877 -8.228 -7.667 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -5.552 -9.534 -9.929 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -5.733 -11.193 -9.348 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -8.107 -10.351 -6.925 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -7.166 -11.652 -7.663 1.00 1.00 H new ATOM 713 N VAL A 44 -7.181 -2.297 -8.908 1.00 1.00 N ATOM 714 CA VAL A 44 -7.378 -1.523 -7.649 1.00 1.00 C ATOM 715 C VAL A 44 -8.606 -0.619 -7.780 1.00 1.00 C ATOM 716 O VAL A 44 -9.538 -0.707 -7.006 1.00 1.00 O ATOM 717 CB VAL A 44 -6.139 -0.668 -7.376 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.388 0.224 -6.158 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.942 -1.582 -7.103 1.00 1.00 C ATOM 0 H VAL A 44 -6.435 -1.958 -9.515 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.532 -2.216 -6.822 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.931 -0.043 -8.244 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.504 0.832 -5.966 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.241 0.875 -6.352 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.597 -0.398 -5.288 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -4.058 -0.975 -6.908 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -5.152 -2.207 -6.235 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.763 -2.216 -7.971 1.00 1.00 H new ATOM 729 N LYS A 45 -8.617 0.248 -8.755 1.00 1.00 N ATOM 730 CA LYS A 45 -9.790 1.152 -8.931 1.00 1.00 C ATOM 731 C LYS A 45 -11.012 0.319 -9.321 1.00 1.00 C ATOM 732 O LYS A 45 -12.141 0.744 -9.179 1.00 1.00 O ATOM 733 CB LYS A 45 -9.491 2.169 -10.035 1.00 1.00 C ATOM 734 CG LYS A 45 -9.365 1.446 -11.379 1.00 1.00 C ATOM 735 CD LYS A 45 -8.679 2.364 -12.394 1.00 1.00 C ATOM 736 CE LYS A 45 -9.496 3.645 -12.567 1.00 1.00 C ATOM 737 NZ LYS A 45 -10.941 3.302 -12.699 1.00 1.00 N ATOM 0 H LYS A 45 -7.867 0.370 -9.436 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.989 1.680 -7.999 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.287 2.912 -10.084 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.568 2.704 -9.810 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.790 0.528 -11.257 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.352 1.158 -11.742 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.672 2.607 -12.056 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.579 1.853 -13.352 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.345 4.303 -11.711 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.158 4.187 -13.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -11.434 4.065 -13.205 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -11.040 2.414 -13.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.358 3.187 -11.753 1.00 1.00 H new ATOM 751 N ALA A 46 -10.787 -0.866 -9.815 1.00 1.00 N ATOM 752 CA ALA A 46 -11.921 -1.740 -10.224 1.00 1.00 C ATOM 753 C ALA A 46 -12.639 -2.267 -8.979 1.00 1.00 C ATOM 754 O ALA A 46 -13.849 -2.222 -8.882 1.00 1.00 O ATOM 755 CB ALA A 46 -11.375 -2.919 -11.035 1.00 1.00 C ATOM 0 H ALA A 46 -9.860 -1.269 -9.954 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.625 -1.169 -10.829 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -12.199 -3.564 -11.339 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.862 -2.545 -11.921 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.675 -3.488 -10.423 1.00 1.00 H new ATOM 761 N LEU A 47 -11.902 -2.772 -8.028 1.00 1.00 N ATOM 762 CA LEU A 47 -12.536 -3.308 -6.794 1.00 1.00 C ATOM 763 C LEU A 47 -13.444 -2.241 -6.171 1.00 1.00 C ATOM 764 O LEU A 47 -14.129 -2.492 -5.199 1.00 1.00 O ATOM 765 CB LEU A 47 -11.435 -3.705 -5.798 1.00 1.00 C ATOM 766 CG LEU A 47 -11.762 -5.065 -5.171 1.00 1.00 C ATOM 767 CD1 LEU A 47 -11.328 -6.188 -6.118 1.00 1.00 C ATOM 768 CD2 LEU A 47 -11.018 -5.209 -3.840 1.00 1.00 C ATOM 0 H LEU A 47 -10.884 -2.836 -8.054 1.00 1.00 H new ATOM 0 HA LEU A 47 -13.139 -4.182 -7.040 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -10.472 -3.752 -6.307 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -11.347 -2.948 -5.019 1.00 1.00 H new ATOM 0 HG LEU A 47 -12.836 -5.131 -4.998 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -11.562 -7.153 -5.669 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -11.858 -6.090 -7.065 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -10.254 -6.121 -6.294 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -11.252 -6.176 -3.395 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -9.944 -5.139 -4.014 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.328 -4.414 -3.162 1.00 1.00 H new ATOM 780 N CYS A 48 -13.455 -1.054 -6.722 1.00 1.00 N ATOM 781 CA CYS A 48 -14.320 0.029 -6.162 1.00 1.00 C ATOM 782 C CYS A 48 -15.201 0.591 -7.279 1.00 1.00 C ATOM 783 O CYS A 48 -15.613 1.731 -7.246 1.00 1.00 O ATOM 784 CB CYS A 48 -13.438 1.144 -5.589 1.00 1.00 C ATOM 785 SG CYS A 48 -12.985 0.741 -3.884 1.00 1.00 S ATOM 0 H CYS A 48 -12.902 -0.787 -7.536 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.948 -0.374 -5.367 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.541 1.261 -6.197 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.970 2.095 -5.620 1.00 1.00 H new ATOM 790 N LYS A 49 -15.490 -0.201 -8.273 1.00 1.00 N ATOM 791 CA LYS A 49 -16.338 0.292 -9.393 1.00 1.00 C ATOM 792 C LYS A 49 -17.814 0.233 -8.985 1.00 1.00 C ATOM 793 O LYS A 49 -18.346 -0.816 -8.679 1.00 1.00 O ATOM 794 CB LYS A 49 -16.099 -0.579 -10.631 1.00 1.00 C ATOM 795 CG LYS A 49 -16.782 -1.941 -10.456 1.00 1.00 C ATOM 796 CD LYS A 49 -16.143 -2.960 -11.403 1.00 1.00 C ATOM 797 CE LYS A 49 -17.036 -4.199 -11.499 1.00 1.00 C ATOM 798 NZ LYS A 49 -17.617 -4.496 -10.160 1.00 1.00 N ATOM 0 H LYS A 49 -15.176 -1.168 -8.358 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.076 1.324 -9.625 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.489 -0.079 -11.518 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -15.029 -0.717 -10.787 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -16.685 -2.278 -9.424 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.848 -1.854 -10.664 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -16.007 -2.519 -12.391 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -15.154 -3.239 -11.040 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -17.832 -4.031 -12.224 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -16.457 -5.052 -11.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -17.963 -5.477 -10.142 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -16.887 -4.373 -9.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -18.407 -3.846 -9.973 1.00 1.00 H new ATOM 812 N ASN A 50 -18.480 1.356 -8.979 1.00 1.00 N ATOM 813 CA ASN A 50 -19.921 1.372 -8.594 1.00 1.00 C ATOM 814 C ASN A 50 -20.126 0.553 -7.317 1.00 1.00 C ATOM 815 O ASN A 50 -20.761 -0.482 -7.329 1.00 1.00 O ATOM 816 CB ASN A 50 -20.757 0.768 -9.726 1.00 1.00 C ATOM 817 CG ASN A 50 -20.878 1.778 -10.867 1.00 1.00 C ATOM 818 OD1 ASN A 50 -21.559 2.777 -10.741 1.00 1.00 O ATOM 819 ND2 ASN A 50 -20.241 1.561 -11.986 1.00 1.00 N ATOM 0 H ASN A 50 -18.088 2.265 -9.225 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.234 2.401 -8.416 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -20.291 -0.149 -10.086 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -21.747 0.500 -9.358 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -20.315 2.229 -12.753 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -19.669 0.723 -12.093 1.00 1.00 H new ATOM 826 N ILE A 51 -19.598 1.012 -6.213 1.00 1.00 N ATOM 827 CA ILE A 51 -19.765 0.269 -4.935 1.00 1.00 C ATOM 828 C ILE A 51 -20.904 0.900 -4.133 1.00 1.00 C ATOM 829 O ILE A 51 -22.068 0.704 -4.425 1.00 1.00 O ATOM 830 CB ILE A 51 -18.463 0.352 -4.129 1.00 1.00 C ATOM 831 CG1 ILE A 51 -17.762 1.681 -4.426 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.542 -0.802 -4.514 1.00 1.00 C ATOM 833 CD1 ILE A 51 -16.618 1.890 -3.432 1.00 1.00 C ATOM 0 H ILE A 51 -19.056 1.874 -6.144 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.999 -0.775 -5.141 1.00 1.00 H new ATOM 0 HB ILE A 51 -18.695 0.289 -3.066 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -17.376 1.681 -5.445 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -18.474 2.503 -4.355 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.619 -0.738 -3.938 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.037 -1.749 -4.301 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.311 -0.744 -5.578 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.120 2.836 -3.644 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.016 1.909 -2.418 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -15.902 1.074 -3.525 1.00 1.00 H new ATOM 845 N ARG A 52 -20.573 1.650 -3.123 1.00 1.00 N ATOM 846 CA ARG A 52 -21.629 2.298 -2.290 1.00 1.00 C ATOM 847 C ARG A 52 -21.164 3.688 -1.853 1.00 1.00 C ATOM 848 O ARG A 52 -21.572 4.691 -2.404 1.00 1.00 O ATOM 849 CB ARG A 52 -21.898 1.438 -1.053 1.00 1.00 C ATOM 850 CG ARG A 52 -23.153 1.946 -0.339 1.00 1.00 C ATOM 851 CD ARG A 52 -23.262 1.284 1.036 1.00 1.00 C ATOM 852 NE ARG A 52 -24.466 1.803 1.743 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.653 1.368 1.416 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.784 0.479 0.470 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.708 1.822 2.036 1.00 1.00 N ATOM 0 H ARG A 52 -19.614 1.845 -2.835 1.00 1.00 H new ATOM 0 HA ARG A 52 -22.543 2.393 -2.876 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -22.029 0.396 -1.344 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -21.043 1.476 -0.378 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.109 3.030 -0.230 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -24.038 1.721 -0.934 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -23.330 0.202 0.926 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -22.366 1.489 1.622 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.363 2.498 2.482 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -24.959 0.124 -0.014 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.711 0.139 0.214 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.605 2.517 2.776 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -27.635 1.482 1.781 1.00 1.00 H new ATOM 869 N ASP A 53 -20.321 3.755 -0.863 1.00 1.00 N ATOM 870 CA ASP A 53 -19.838 5.082 -0.384 1.00 1.00 C ATOM 871 C ASP A 53 -18.691 4.893 0.602 1.00 1.00 C ATOM 872 O ASP A 53 -17.973 3.914 0.566 1.00 1.00 O ATOM 873 CB ASP A 53 -20.986 5.819 0.308 1.00 1.00 C ATOM 874 CG ASP A 53 -21.393 5.060 1.572 1.00 1.00 C ATOM 875 OD1 ASP A 53 -20.579 4.973 2.476 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.513 4.577 1.615 1.00 1.00 O ATOM 0 H ASP A 53 -19.944 2.949 -0.363 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.486 5.664 -1.235 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.679 6.833 0.563 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.837 5.904 -0.368 1.00 1.00 H new ATOM 881 N ASN A 54 -18.517 5.837 1.477 1.00 1.00 N ATOM 882 CA ASN A 54 -17.417 5.743 2.475 1.00 1.00 C ATOM 883 C ASN A 54 -17.666 4.551 3.402 1.00 1.00 C ATOM 884 O ASN A 54 -18.530 4.586 4.256 1.00 1.00 O ATOM 885 CB ASN A 54 -17.371 7.029 3.304 1.00 1.00 C ATOM 886 CG ASN A 54 -17.181 8.228 2.375 1.00 1.00 C ATOM 887 OD1 ASN A 54 -18.218 8.742 1.771 1.00 1.00 O flip ATOM 888 ND2 ASN A 54 -16.078 8.704 2.197 1.00 1.00 N flip ATOM 0 H ASN A 54 -19.092 6.676 1.546 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.468 5.608 1.956 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -18.293 7.140 3.874 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.555 6.981 4.025 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -15.267 8.303 2.669 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -15.962 9.505 1.576 1.00 1.00 H new ATOM 895 N THR A 55 -16.914 3.496 3.238 1.00 1.00 N ATOM 896 CA THR A 55 -17.106 2.301 4.110 1.00 1.00 C ATOM 897 C THR A 55 -15.828 1.459 4.111 1.00 1.00 C ATOM 898 O THR A 55 -14.935 1.665 3.314 1.00 1.00 O ATOM 899 CB THR A 55 -18.275 1.463 3.579 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.273 2.327 3.055 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.869 0.625 4.713 1.00 1.00 C ATOM 0 H THR A 55 -16.176 3.410 2.539 1.00 1.00 H new ATOM 0 HA THR A 55 -17.326 2.624 5.127 1.00 1.00 H new ATOM 0 HB THR A 55 -17.916 0.799 2.793 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.397 3.088 3.659 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.699 0.031 4.330 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.103 -0.039 5.115 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.228 1.284 5.503 1.00 1.00 H new ATOM 909 N ASP A 56 -15.733 0.512 5.005 1.00 1.00 N ATOM 910 CA ASP A 56 -14.512 -0.344 5.068 1.00 1.00 C ATOM 911 C ASP A 56 -14.734 -1.623 4.256 1.00 1.00 C ATOM 912 O ASP A 56 -15.848 -2.073 4.080 1.00 1.00 O ATOM 913 CB ASP A 56 -14.225 -0.713 6.525 1.00 1.00 C ATOM 914 CG ASP A 56 -15.460 -1.377 7.137 1.00 1.00 C ATOM 915 OD1 ASP A 56 -16.313 -0.658 7.629 1.00 1.00 O ATOM 916 OD2 ASP A 56 -15.532 -2.595 7.101 1.00 1.00 O ATOM 0 H ASP A 56 -16.450 0.293 5.697 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.666 0.205 4.654 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.372 -1.389 6.579 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.961 0.180 7.092 1.00 1.00 H new ATOM 921 N VAL A 57 -13.677 -2.212 3.761 1.00 1.00 N ATOM 922 CA VAL A 57 -13.819 -3.465 2.963 1.00 1.00 C ATOM 923 C VAL A 57 -12.648 -4.400 3.276 1.00 1.00 C ATOM 924 O VAL A 57 -11.707 -4.025 3.947 1.00 1.00 O ATOM 925 CB VAL A 57 -13.823 -3.121 1.472 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.197 -2.571 1.080 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.752 -2.066 1.189 1.00 1.00 C ATOM 0 H VAL A 57 -12.720 -1.878 3.875 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.755 -3.960 3.220 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.611 -4.019 0.891 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.201 -2.326 0.018 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.961 -3.322 1.282 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.409 -1.673 1.661 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.755 -1.821 0.127 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -12.964 -1.168 1.769 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.774 -2.457 1.469 1.00 1.00 H new ATOM 937 N LEU A 58 -12.706 -5.618 2.802 1.00 1.00 N ATOM 938 CA LEU A 58 -11.607 -6.598 3.076 1.00 1.00 C ATOM 939 C LEU A 58 -11.228 -7.312 1.772 1.00 1.00 C ATOM 940 O LEU A 58 -12.084 -7.666 0.984 1.00 1.00 O ATOM 941 CB LEU A 58 -12.119 -7.634 4.099 1.00 1.00 C ATOM 942 CG LEU A 58 -11.116 -7.829 5.248 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.821 -8.445 4.712 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.814 -6.483 5.921 1.00 1.00 C ATOM 0 H LEU A 58 -13.471 -5.980 2.233 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.732 -6.082 3.472 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.078 -7.307 4.502 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.292 -8.587 3.599 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.553 -8.502 5.986 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.116 -8.580 5.532 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.039 -9.412 4.258 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.385 -7.783 3.964 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.103 -6.634 6.733 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.388 -5.797 5.188 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.736 -6.061 6.320 1.00 1.00 H new ATOM 956 N SER A 59 -9.960 -7.538 1.534 1.00 1.00 N ATOM 957 CA SER A 59 -9.567 -8.239 0.277 1.00 1.00 C ATOM 958 C SER A 59 -10.319 -9.571 0.194 1.00 1.00 C ATOM 959 O SER A 59 -10.774 -10.101 1.188 1.00 1.00 O ATOM 960 CB SER A 59 -8.053 -8.472 0.257 1.00 1.00 C ATOM 961 OG SER A 59 -7.779 -9.758 -0.281 1.00 1.00 O ATOM 0 H SER A 59 -9.190 -7.271 2.148 1.00 1.00 H new ATOM 0 HA SER A 59 -9.827 -7.625 -0.585 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.564 -7.704 -0.342 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.649 -8.395 1.266 1.00 1.00 H new ATOM 0 HG SER A 59 -7.074 -9.686 -0.958 1.00 1.00 H new ATOM 967 N ARG A 60 -10.477 -10.103 -0.988 1.00 1.00 N ATOM 968 CA ARG A 60 -11.228 -11.384 -1.141 1.00 1.00 C ATOM 969 C ARG A 60 -10.349 -12.580 -0.766 1.00 1.00 C ATOM 970 O ARG A 60 -10.807 -13.706 -0.745 1.00 1.00 O ATOM 971 CB ARG A 60 -11.681 -11.531 -2.597 1.00 1.00 C ATOM 972 CG ARG A 60 -12.737 -10.466 -2.923 1.00 1.00 C ATOM 973 CD ARG A 60 -14.131 -10.989 -2.563 1.00 1.00 C ATOM 974 NE ARG A 60 -15.153 -9.968 -2.935 1.00 1.00 N ATOM 975 CZ ARG A 60 -16.384 -10.331 -3.176 1.00 1.00 C ATOM 976 NH1 ARG A 60 -16.725 -11.588 -3.086 1.00 1.00 N ATOM 977 NH2 ARG A 60 -17.275 -9.436 -3.505 1.00 1.00 N ATOM 0 H ARG A 60 -10.118 -9.706 -1.856 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.091 -11.363 -0.475 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -10.827 -11.426 -3.266 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.093 -12.527 -2.761 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -12.527 -9.551 -2.368 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.696 -10.213 -3.982 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.327 -11.924 -3.087 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.187 -11.204 -1.496 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.890 -8.985 -3.001 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -16.030 -12.288 -2.827 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -17.687 -11.870 -3.274 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -17.010 -8.454 -3.574 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -18.237 -9.719 -3.693 1.00 1.00 H new ATOM 991 N ASP A 61 -9.098 -12.364 -0.470 1.00 1.00 N ATOM 992 CA ASP A 61 -8.225 -13.516 -0.104 1.00 1.00 C ATOM 993 C ASP A 61 -6.903 -13.011 0.471 1.00 1.00 C ATOM 994 O ASP A 61 -6.732 -12.927 1.671 1.00 1.00 O ATOM 995 CB ASP A 61 -7.950 -14.361 -1.351 1.00 1.00 C ATOM 996 CG ASP A 61 -7.659 -13.441 -2.538 1.00 1.00 C ATOM 997 OD1 ASP A 61 -8.529 -12.657 -2.882 1.00 1.00 O ATOM 998 OD2 ASP A 61 -6.572 -13.535 -3.083 1.00 1.00 O ATOM 0 H ASP A 61 -8.645 -11.450 -0.465 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.730 -14.122 0.648 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.103 -15.023 -1.175 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -8.809 -14.994 -1.571 1.00 1.00 H new ATOM 1003 N ALA A 62 -5.962 -12.682 -0.370 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.652 -12.193 0.143 1.00 1.00 C ATOM 1005 C ALA A 62 -4.052 -11.186 -0.838 1.00 1.00 C ATOM 1006 O ALA A 62 -4.513 -11.033 -1.951 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.697 -13.376 0.305 1.00 1.00 C ATOM 0 H ALA A 62 -6.043 -12.730 -1.386 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.803 -11.708 1.107 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.737 -13.020 0.680 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.120 -14.091 1.010 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.552 -13.861 -0.660 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.020 -10.498 -0.428 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.378 -9.499 -1.327 1.00 1.00 C ATOM 1015 C PHE A 63 -0.894 -9.392 -0.971 1.00 1.00 C ATOM 1016 O PHE A 63 -0.531 -9.243 0.179 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.056 -8.134 -1.143 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.211 -8.006 -2.110 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.463 -8.539 -1.781 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.029 -7.352 -3.335 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.532 -8.419 -2.677 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.098 -7.233 -4.231 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.349 -7.766 -3.903 1.00 1.00 C ATOM 0 H PHE A 63 -2.594 -10.586 0.494 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.484 -9.812 -2.366 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.413 -8.029 -0.119 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.336 -7.333 -1.313 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.604 -9.043 -0.836 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.064 -6.939 -3.588 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.498 -8.830 -2.423 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -4.957 -6.729 -5.176 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.173 -7.674 -4.595 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.036 -9.469 -1.952 1.00 1.00 N ATOM 1034 CA LEU A 64 1.426 -9.375 -1.681 1.00 1.00 C ATOM 1035 C LEU A 64 1.819 -7.908 -1.528 1.00 1.00 C ATOM 1036 O LEU A 64 1.770 -7.146 -2.473 1.00 1.00 O ATOM 1037 CB LEU A 64 2.192 -9.983 -2.860 1.00 1.00 C ATOM 1038 CG LEU A 64 3.652 -10.256 -2.463 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.249 -11.299 -3.413 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.474 -8.961 -2.552 1.00 1.00 C ATOM 0 H LEU A 64 -0.286 -9.593 -2.933 1.00 1.00 H new ATOM 0 HA LEU A 64 1.667 -9.914 -0.765 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.714 -10.911 -3.174 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.160 -9.304 -3.712 1.00 1.00 H new ATOM 0 HG LEU A 64 3.679 -10.628 -1.439 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.284 -11.495 -3.134 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.674 -12.223 -3.347 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.214 -10.923 -4.435 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.507 -9.165 -2.269 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.446 -8.582 -3.574 1.00 1.00 H new ATOM 0 HD23 LEU A 64 4.053 -8.216 -1.877 1.00 1.00 H new ATOM 1052 N LEU A 65 2.210 -7.497 -0.348 1.00 1.00 N ATOM 1053 CA LEU A 65 2.606 -6.071 -0.160 1.00 1.00 C ATOM 1054 C LEU A 65 4.055 -5.984 0.336 1.00 1.00 C ATOM 1055 O LEU A 65 4.438 -6.667 1.266 1.00 1.00 O ATOM 1056 CB LEU A 65 1.707 -5.380 0.880 1.00 1.00 C ATOM 1057 CG LEU A 65 0.724 -6.358 1.511 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.271 -5.777 2.853 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.487 -6.523 0.587 1.00 1.00 C ATOM 0 H LEU A 65 2.271 -8.082 0.485 1.00 1.00 H new ATOM 0 HA LEU A 65 2.501 -5.574 -1.124 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.327 -4.934 1.658 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.158 -4.567 0.404 1.00 1.00 H new ATOM 0 HG LEU A 65 1.193 -7.330 1.661 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.435 -6.460 3.326 1.00 1.00 H new ATOM 0 HD12 LEU A 65 1.136 -5.643 3.502 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.211 -4.814 2.688 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.193 -7.222 1.034 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -0.972 -5.557 0.447 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.158 -6.907 -0.379 1.00 1.00 H new ATOM 1071 N PRO A 66 4.840 -5.112 -0.242 1.00 1.00 N ATOM 1072 CA PRO A 66 6.245 -4.894 0.193 1.00 1.00 C ATOM 1073 C PRO A 66 6.263 -4.103 1.503 1.00 1.00 C ATOM 1074 O PRO A 66 5.373 -3.318 1.763 1.00 1.00 O ATOM 1075 CB PRO A 66 6.868 -4.085 -0.947 1.00 1.00 C ATOM 1076 CG PRO A 66 5.726 -3.404 -1.629 1.00 1.00 C ATOM 1077 CD PRO A 66 4.477 -4.245 -1.374 1.00 1.00 C ATOM 0 HA PRO A 66 6.787 -5.821 0.380 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.586 -3.359 -0.565 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.407 -4.733 -1.638 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.594 -2.394 -1.242 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.916 -3.313 -2.698 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.619 -3.618 -1.134 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.207 -4.831 -2.252 1.00 1.00 H new ATOM 1085 N GLN A 67 7.238 -4.305 2.347 1.00 1.00 N ATOM 1086 CA GLN A 67 7.251 -3.551 3.635 1.00 1.00 C ATOM 1087 C GLN A 67 8.686 -3.248 4.061 1.00 1.00 C ATOM 1088 O GLN A 67 9.541 -4.112 4.060 1.00 1.00 O ATOM 1089 CB GLN A 67 6.569 -4.383 4.723 1.00 1.00 C ATOM 1090 CG GLN A 67 5.186 -4.824 4.243 1.00 1.00 C ATOM 1091 CD GLN A 67 4.422 -5.463 5.405 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.502 -6.657 5.616 1.00 1.00 O ATOM 1093 NE2 GLN A 67 3.678 -4.713 6.172 1.00 1.00 N ATOM 0 H GLN A 67 8.016 -4.949 2.205 1.00 1.00 H new ATOM 0 HA GLN A 67 6.715 -2.612 3.495 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.177 -5.256 4.962 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.478 -3.798 5.638 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.633 -3.967 3.858 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.284 -5.536 3.423 1.00 1.00 H new ATOM 0 HE21 GLN A 67 3.611 -3.711 5.995 1.00 1.00 H new ATOM 0 HE22 GLN A 67 3.164 -5.129 6.948 1.00 1.00 H new ATOM 1102 N CYS A 68 8.955 -2.027 4.442 1.00 1.00 N ATOM 1103 CA CYS A 68 10.334 -1.671 4.889 1.00 1.00 C ATOM 1104 C CYS A 68 10.408 -1.757 6.412 1.00 1.00 C ATOM 1105 O CYS A 68 9.503 -1.340 7.110 1.00 1.00 O ATOM 1106 CB CYS A 68 10.662 -0.247 4.451 1.00 1.00 C ATOM 1107 SG CYS A 68 10.113 0.001 2.745 1.00 1.00 S ATOM 0 H CYS A 68 8.281 -1.262 4.463 1.00 1.00 H new ATOM 0 HA CYS A 68 11.049 -2.363 4.444 1.00 1.00 H new ATOM 0 HB2 CYS A 68 10.172 0.470 5.110 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.735 -0.069 4.529 1.00 1.00 H new ATOM 1112 N ASP A 69 11.477 -2.298 6.936 1.00 1.00 N ATOM 1113 CA ASP A 69 11.606 -2.417 8.419 1.00 1.00 C ATOM 1114 C ASP A 69 13.012 -1.993 8.856 1.00 1.00 C ATOM 1115 O ASP A 69 13.998 -2.601 8.488 1.00 1.00 O ATOM 1116 CB ASP A 69 11.362 -3.872 8.824 1.00 1.00 C ATOM 1117 CG ASP A 69 9.858 -4.152 8.854 1.00 1.00 C ATOM 1118 OD1 ASP A 69 9.211 -3.711 9.791 1.00 1.00 O ATOM 1119 OD2 ASP A 69 9.378 -4.802 7.940 1.00 1.00 O ATOM 0 H ASP A 69 12.266 -2.662 6.402 1.00 1.00 H new ATOM 0 HA ASP A 69 10.874 -1.769 8.902 1.00 1.00 H new ATOM 0 HB2 ASP A 69 11.853 -4.543 8.119 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.798 -4.065 9.804 1.00 1.00 H new ATOM 1124 N ARG A 70 13.110 -0.957 9.647 1.00 1.00 N ATOM 1125 CA ARG A 70 14.450 -0.498 10.119 1.00 1.00 C ATOM 1126 C ARG A 70 15.070 -1.580 11.004 1.00 1.00 C ATOM 1127 O ARG A 70 14.375 -2.367 11.616 1.00 1.00 O ATOM 1128 CB ARG A 70 14.292 0.794 10.926 1.00 1.00 C ATOM 1129 CG ARG A 70 15.649 1.492 11.053 1.00 1.00 C ATOM 1130 CD ARG A 70 15.597 2.512 12.194 1.00 1.00 C ATOM 1131 NE ARG A 70 16.947 3.118 12.378 1.00 1.00 N ATOM 1132 CZ ARG A 70 17.265 3.670 13.518 1.00 1.00 C ATOM 1133 NH1 ARG A 70 16.402 3.691 14.497 1.00 1.00 N ATOM 1134 NH2 ARG A 70 18.447 4.199 13.678 1.00 1.00 N ATOM 0 H ARG A 70 12.320 -0.409 9.987 1.00 1.00 H new ATOM 0 HA ARG A 70 15.097 -0.312 9.261 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.577 1.455 10.436 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.893 0.570 11.915 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.431 0.757 11.244 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.902 1.991 10.117 1.00 1.00 H new ATOM 0 HD2 ARG A 70 14.865 3.288 11.970 1.00 1.00 H new ATOM 0 HD3 ARG A 70 15.275 2.027 13.116 1.00 1.00 H new ATOM 0 HE ARG A 70 17.622 3.101 11.613 1.00 1.00 H new ATOM 0 HH11 ARG A 70 15.479 3.276 14.372 1.00 1.00 H new ATOM 0 HH12 ARG A 70 16.651 4.122 15.387 1.00 1.00 H new ATOM 0 HH21 ARG A 70 19.122 4.181 12.913 1.00 1.00 H new ATOM 0 HH22 ARG A 70 18.696 4.630 14.568 1.00 1.00 H new ATOM 1148 N ILE A 71 16.372 -1.628 11.078 1.00 1.00 N ATOM 1149 CA ILE A 71 17.026 -2.663 11.926 1.00 1.00 C ATOM 1150 C ILE A 71 18.462 -2.239 12.243 1.00 1.00 C ATOM 1151 O ILE A 71 18.974 -2.508 13.311 1.00 1.00 O ATOM 1152 CB ILE A 71 17.043 -3.997 11.178 1.00 1.00 C ATOM 1153 CG1 ILE A 71 17.591 -5.090 12.098 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.937 -3.880 9.941 1.00 1.00 C ATOM 1155 CD1 ILE A 71 17.459 -6.451 11.410 1.00 1.00 C ATOM 0 H ILE A 71 17.008 -0.998 10.590 1.00 1.00 H new ATOM 0 HA ILE A 71 16.468 -2.772 12.856 1.00 1.00 H new ATOM 0 HB ILE A 71 16.029 -4.252 10.871 1.00 1.00 H new ATOM 0 HG12 ILE A 71 18.636 -4.890 12.335 1.00 1.00 H new ATOM 0 HG13 ILE A 71 17.045 -5.093 13.042 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.948 -4.831 9.409 1.00 1.00 H new ATOM 0 HG22 ILE A 71 17.549 -3.101 9.284 1.00 1.00 H new ATOM 0 HG23 ILE A 71 18.951 -3.624 10.248 1.00 1.00 H new ATOM 0 HD11 ILE A 71 17.849 -7.229 12.066 1.00 1.00 H new ATOM 0 HD12 ILE A 71 16.409 -6.650 11.196 1.00 1.00 H new ATOM 0 HD13 ILE A 71 18.024 -6.444 10.478 1.00 1.00 H new ATOM 1167 N LYS A 72 19.120 -1.585 11.323 1.00 1.00 N ATOM 1168 CA LYS A 72 20.527 -1.156 11.577 1.00 1.00 C ATOM 1169 C LYS A 72 20.791 0.197 10.910 1.00 1.00 C ATOM 1170 O LYS A 72 19.962 0.723 10.194 1.00 1.00 O ATOM 1171 CB LYS A 72 21.487 -2.200 11.003 1.00 1.00 C ATOM 1172 CG LYS A 72 21.342 -2.249 9.481 1.00 1.00 C ATOM 1173 CD LYS A 72 21.997 -3.524 8.944 1.00 1.00 C ATOM 1174 CE LYS A 72 22.186 -3.404 7.431 1.00 1.00 C ATOM 1175 NZ LYS A 72 23.258 -2.408 7.142 1.00 1.00 N ATOM 0 H LYS A 72 18.746 -1.330 10.409 1.00 1.00 H new ATOM 0 HA LYS A 72 20.683 -1.062 12.652 1.00 1.00 H new ATOM 0 HB2 LYS A 72 22.514 -1.952 11.273 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.273 -3.180 11.430 1.00 1.00 H new ATOM 0 HG2 LYS A 72 20.288 -2.226 9.205 1.00 1.00 H new ATOM 0 HG3 LYS A 72 21.808 -1.372 9.033 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.960 -3.683 9.430 1.00 1.00 H new ATOM 0 HD3 LYS A 72 21.376 -4.389 9.176 1.00 1.00 H new ATOM 0 HE2 LYS A 72 22.452 -4.373 7.009 1.00 1.00 H new ATOM 0 HE3 LYS A 72 21.252 -3.096 6.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 23.682 -2.614 6.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 22.850 -1.452 7.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 23.991 -2.463 7.878 1.00 1.00 H new ATOM 1189 N LEU A 73 21.947 0.760 11.144 1.00 1.00 N ATOM 1190 CA LEU A 73 22.287 2.075 10.534 1.00 1.00 C ATOM 1191 C LEU A 73 21.181 3.091 10.862 1.00 1.00 C ATOM 1192 O LEU A 73 20.164 2.742 11.426 1.00 1.00 O ATOM 1193 CB LEU A 73 22.404 1.890 9.010 1.00 1.00 C ATOM 1194 CG LEU A 73 23.868 2.009 8.575 1.00 1.00 C ATOM 1195 CD1 LEU A 73 24.620 0.732 8.958 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.936 2.201 7.059 1.00 1.00 C ATOM 0 H LEU A 73 22.675 0.360 11.737 1.00 1.00 H new ATOM 0 HA LEU A 73 23.232 2.446 10.931 1.00 1.00 H new ATOM 0 HB2 LEU A 73 22.010 0.915 8.723 1.00 1.00 H new ATOM 0 HB3 LEU A 73 21.802 2.641 8.498 1.00 1.00 H new ATOM 0 HG LEU A 73 24.325 2.865 9.072 1.00 1.00 H new ATOM 0 HD11 LEU A 73 25.662 0.817 8.649 1.00 1.00 H new ATOM 0 HD12 LEU A 73 24.573 0.592 10.038 1.00 1.00 H new ATOM 0 HD13 LEU A 73 24.162 -0.123 8.461 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.978 2.286 6.749 1.00 1.00 H new ATOM 0 HD22 LEU A 73 23.478 1.345 6.563 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.400 3.109 6.783 1.00 1.00 H new ATOM 1208 N PRO A 74 21.374 4.338 10.501 1.00 1.00 N ATOM 1209 CA PRO A 74 20.376 5.411 10.752 1.00 1.00 C ATOM 1210 C PRO A 74 19.347 5.526 9.622 1.00 1.00 C ATOM 1211 O PRO A 74 18.211 5.897 9.842 1.00 1.00 O ATOM 1212 CB PRO A 74 21.240 6.666 10.825 1.00 1.00 C ATOM 1213 CG PRO A 74 22.386 6.403 9.897 1.00 1.00 C ATOM 1214 CD PRO A 74 22.573 4.878 9.830 1.00 1.00 C ATOM 0 HA PRO A 74 19.784 5.227 11.649 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.679 7.549 10.519 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.589 6.846 11.842 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.181 6.810 8.907 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.293 6.887 10.259 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.644 4.530 8.799 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.487 4.566 10.335 1.00 1.00 H new ATOM 1222 N CYS A 75 19.740 5.219 8.414 1.00 1.00 N ATOM 1223 CA CYS A 75 18.790 5.317 7.267 1.00 1.00 C ATOM 1224 C CYS A 75 18.869 4.042 6.424 1.00 1.00 C ATOM 1225 O CYS A 75 19.249 4.069 5.270 1.00 1.00 O ATOM 1226 CB CYS A 75 19.160 6.526 6.404 1.00 1.00 C ATOM 1227 SG CYS A 75 17.741 6.997 5.383 1.00 1.00 S ATOM 0 H CYS A 75 20.679 4.904 8.172 1.00 1.00 H new ATOM 0 HA CYS A 75 17.775 5.436 7.645 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.458 7.361 7.038 1.00 1.00 H new ATOM 0 HB3 CYS A 75 20.014 6.286 5.770 1.00 1.00 H new ATOM 1232 N HIS A 76 18.505 2.924 6.993 1.00 1.00 N ATOM 1233 CA HIS A 76 18.547 1.640 6.233 1.00 1.00 C ATOM 1234 C HIS A 76 17.333 0.796 6.625 1.00 1.00 C ATOM 1235 O HIS A 76 16.877 0.840 7.749 1.00 1.00 O ATOM 1236 CB HIS A 76 19.832 0.882 6.579 1.00 1.00 C ATOM 1237 CG HIS A 76 20.056 -0.212 5.570 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.771 -1.542 5.846 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.536 -0.189 4.284 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.079 -2.259 4.749 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.548 -1.482 3.771 1.00 1.00 N ATOM 0 H HIS A 76 18.179 2.844 7.956 1.00 1.00 H new ATOM 0 HA HIS A 76 18.528 1.841 5.162 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.680 1.566 6.584 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.759 0.458 7.581 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.855 0.696 3.753 1.00 1.00 H new ATOM 0 HE1 HIS A 76 19.961 -3.330 4.670 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.852 -1.775 2.842 1.00 1.00 H new ATOM 1250 N TYR A 77 16.798 0.036 5.706 1.00 1.00 N ATOM 1251 CA TYR A 77 15.604 -0.800 6.033 1.00 1.00 C ATOM 1252 C TYR A 77 15.758 -2.196 5.431 1.00 1.00 C ATOM 1253 O TYR A 77 16.571 -2.423 4.556 1.00 1.00 O ATOM 1254 CB TYR A 77 14.349 -0.137 5.461 1.00 1.00 C ATOM 1255 CG TYR A 77 14.477 1.362 5.574 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.331 1.983 6.821 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.742 2.131 4.435 1.00 1.00 C ATOM 1258 CE1 TYR A 77 14.450 3.373 6.927 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.860 3.522 4.542 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.714 4.142 5.787 1.00 1.00 C ATOM 1261 OH TYR A 77 14.828 5.513 5.892 1.00 1.00 O ATOM 0 H TYR A 77 17.134 -0.042 4.746 1.00 1.00 H new ATOM 0 HA TYR A 77 15.516 -0.887 7.116 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.216 -0.424 4.418 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.466 -0.479 6.000 1.00 1.00 H new ATOM 0 HD1 TYR A 77 14.127 1.389 7.700 1.00 1.00 H new ATOM 0 HD2 TYR A 77 14.855 1.652 3.474 1.00 1.00 H new ATOM 0 HE1 TYR A 77 14.338 3.853 7.888 1.00 1.00 H new ATOM 0 HE2 TYR A 77 15.064 4.116 3.663 1.00 1.00 H new ATOM 0 HH TYR A 77 15.767 5.753 6.038 1.00 1.00 H new ATOM 1271 N LYS A 78 14.968 -3.130 5.891 1.00 1.00 N ATOM 1272 CA LYS A 78 15.041 -4.517 5.352 1.00 1.00 C ATOM 1273 C LYS A 78 13.814 -4.766 4.477 1.00 1.00 C ATOM 1274 O LYS A 78 12.738 -4.267 4.745 1.00 1.00 O ATOM 1275 CB LYS A 78 15.052 -5.517 6.514 1.00 1.00 C ATOM 1276 CG LYS A 78 15.391 -6.920 5.990 1.00 1.00 C ATOM 1277 CD LYS A 78 16.911 -7.102 5.939 1.00 1.00 C ATOM 1278 CE LYS A 78 17.239 -8.520 5.465 1.00 1.00 C ATOM 1279 NZ LYS A 78 18.670 -8.587 5.052 1.00 1.00 N ATOM 0 H LYS A 78 14.271 -2.989 6.622 1.00 1.00 H new ATOM 0 HA LYS A 78 15.950 -4.641 4.764 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.784 -5.211 7.262 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.079 -5.528 7.006 1.00 1.00 H new ATOM 0 HG2 LYS A 78 14.947 -7.677 6.636 1.00 1.00 H new ATOM 0 HG3 LYS A 78 14.965 -7.060 4.996 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.353 -6.370 5.263 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.342 -6.928 6.925 1.00 1.00 H new ATOM 0 HE2 LYS A 78 17.046 -9.236 6.264 1.00 1.00 H new ATOM 0 HE3 LYS A 78 16.595 -8.794 4.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 18.894 -9.550 4.730 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.839 -7.915 4.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.277 -8.343 5.861 1.00 1.00 H new ATOM 1293 N LEU A 79 13.968 -5.523 3.424 1.00 1.00 N ATOM 1294 CA LEU A 79 12.814 -5.795 2.522 1.00 1.00 C ATOM 1295 C LEU A 79 12.034 -7.012 3.030 1.00 1.00 C ATOM 1296 O LEU A 79 12.558 -8.104 3.121 1.00 1.00 O ATOM 1297 CB LEU A 79 13.335 -6.068 1.105 1.00 1.00 C ATOM 1298 CG LEU A 79 12.294 -5.631 0.072 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.858 -5.827 -1.339 1.00 1.00 C ATOM 1300 CD2 LEU A 79 11.025 -6.472 0.237 1.00 1.00 C ATOM 0 H LEU A 79 14.845 -5.965 3.150 1.00 1.00 H new ATOM 0 HA LEU A 79 12.151 -4.930 2.507 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.269 -5.530 0.942 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.553 -7.129 0.987 1.00 1.00 H new ATOM 0 HG LEU A 79 12.054 -4.579 0.223 1.00 1.00 H new ATOM 0 HD11 LEU A 79 12.116 -5.516 -2.074 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.760 -5.226 -1.457 1.00 1.00 H new ATOM 0 HD13 LEU A 79 13.100 -6.879 -1.491 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.284 -6.160 -0.499 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.264 -7.525 0.088 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.622 -6.330 1.240 1.00 1.00 H new ATOM 1312 N SER A 80 10.784 -6.827 3.355 1.00 1.00 N ATOM 1313 CA SER A 80 9.955 -7.965 3.852 1.00 1.00 C ATOM 1314 C SER A 80 8.549 -7.848 3.266 1.00 1.00 C ATOM 1315 O SER A 80 7.916 -6.814 3.356 1.00 1.00 O ATOM 1316 CB SER A 80 9.880 -7.914 5.379 1.00 1.00 C ATOM 1317 OG SER A 80 8.827 -8.759 5.824 1.00 1.00 O ATOM 0 H SER A 80 10.297 -5.932 3.298 1.00 1.00 H new ATOM 0 HA SER A 80 10.404 -8.910 3.547 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.827 -8.235 5.812 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.707 -6.891 5.713 1.00 1.00 H new ATOM 0 HG SER A 80 8.776 -8.731 6.802 1.00 1.00 H new ATOM 1323 N SER A 81 8.055 -8.894 2.658 1.00 1.00 N ATOM 1324 CA SER A 81 6.688 -8.835 2.057 1.00 1.00 C ATOM 1325 C SER A 81 5.939 -10.135 2.352 1.00 1.00 C ATOM 1326 O SER A 81 6.531 -11.147 2.674 1.00 1.00 O ATOM 1327 CB SER A 81 6.811 -8.645 0.543 1.00 1.00 C ATOM 1328 OG SER A 81 7.948 -7.842 0.261 1.00 1.00 O ATOM 0 H SER A 81 8.538 -9.786 2.551 1.00 1.00 H new ATOM 0 HA SER A 81 6.136 -7.999 2.487 1.00 1.00 H new ATOM 0 HB2 SER A 81 6.904 -9.613 0.050 1.00 1.00 H new ATOM 0 HB3 SER A 81 5.911 -8.172 0.150 1.00 1.00 H new ATOM 0 HG SER A 81 8.030 -7.720 -0.708 1.00 1.00 H new ATOM 1334 N SER A 82 4.638 -10.117 2.240 1.00 1.00 N ATOM 1335 CA SER A 82 3.849 -11.351 2.509 1.00 1.00 C ATOM 1336 C SER A 82 2.462 -11.210 1.890 1.00 1.00 C ATOM 1337 O SER A 82 2.035 -10.128 1.540 1.00 1.00 O ATOM 1338 CB SER A 82 3.720 -11.561 4.018 1.00 1.00 C ATOM 1339 OG SER A 82 3.251 -12.880 4.269 1.00 1.00 O ATOM 0 H SER A 82 4.088 -9.300 1.974 1.00 1.00 H new ATOM 0 HA SER A 82 4.357 -12.210 2.070 1.00 1.00 H new ATOM 0 HB2 SER A 82 4.684 -11.407 4.502 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.030 -10.830 4.441 1.00 1.00 H new ATOM 0 HG SER A 82 3.169 -13.019 5.236 1.00 1.00 H new ATOM 1345 N THR A 83 1.766 -12.302 1.736 1.00 1.00 N ATOM 1346 CA THR A 83 0.422 -12.256 1.124 1.00 1.00 C ATOM 1347 C THR A 83 -0.648 -12.442 2.203 1.00 1.00 C ATOM 1348 O THR A 83 -0.695 -13.450 2.880 1.00 1.00 O ATOM 1349 CB THR A 83 0.341 -13.389 0.105 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.328 -14.364 0.411 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.592 -12.835 -1.296 1.00 1.00 C ATOM 0 H THR A 83 2.081 -13.232 2.013 1.00 1.00 H new ATOM 0 HA THR A 83 0.253 -11.295 0.639 1.00 1.00 H new ATOM 0 HB THR A 83 -0.649 -13.844 0.142 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.279 -15.095 -0.240 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.534 -13.645 -2.023 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.161 -12.083 -1.530 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.582 -12.382 -1.336 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.509 -11.476 2.364 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.580 -11.595 3.394 1.00 1.00 C ATOM 1361 C ASN A 84 -3.710 -10.621 3.061 1.00 1.00 C ATOM 1362 O ASN A 84 -3.498 -9.614 2.414 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.001 -11.258 4.771 1.00 1.00 C ATOM 1364 CG ASN A 84 -3.126 -11.234 5.808 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -4.123 -11.913 5.655 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -3.007 -10.475 6.862 1.00 1.00 N ATOM 0 H ASN A 84 -1.518 -10.609 1.827 1.00 1.00 H new ATOM 0 HA ASN A 84 -2.968 -12.613 3.404 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -1.250 -11.996 5.051 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.501 -10.290 4.740 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -3.751 -10.450 7.559 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.170 -9.906 6.989 1.00 1.00 H new ATOM 1373 N THR A 85 -4.911 -10.904 3.495 1.00 1.00 N ATOM 1374 CA THR A 85 -6.040 -9.984 3.198 1.00 1.00 C ATOM 1375 C THR A 85 -5.775 -8.656 3.909 1.00 1.00 C ATOM 1376 O THR A 85 -5.023 -8.597 4.859 1.00 1.00 O ATOM 1377 CB THR A 85 -7.351 -10.611 3.706 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.095 -11.938 4.142 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.400 -10.640 2.587 1.00 1.00 C ATOM 0 H THR A 85 -5.155 -11.731 4.040 1.00 1.00 H new ATOM 0 HA THR A 85 -6.128 -9.814 2.125 1.00 1.00 H new ATOM 0 HB THR A 85 -7.733 -10.011 4.532 1.00 1.00 H new ATOM 0 HG1 THR A 85 -6.926 -12.511 3.365 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.321 -11.086 2.963 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.601 -9.623 2.250 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.025 -11.231 1.752 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.370 -7.588 3.451 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.130 -6.266 4.101 1.00 1.00 C ATOM 1389 C ILE A 86 -7.448 -5.495 4.188 1.00 1.00 C ATOM 1390 O ILE A 86 -8.380 -5.760 3.456 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.102 -5.473 3.266 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.820 -4.477 2.341 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.280 -6.449 2.419 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -4.834 -3.909 1.317 1.00 1.00 C ATOM 0 H ILE A 86 -7.010 -7.573 2.657 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.739 -6.411 5.108 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.447 -4.921 3.940 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.644 -4.973 1.828 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.252 -3.668 2.930 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.552 -5.894 1.827 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.758 -7.148 3.073 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.943 -7.001 1.753 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.351 -3.204 0.666 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -4.025 -3.396 1.837 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.423 -4.722 0.718 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.526 -4.533 5.069 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.773 -3.731 5.196 1.00 1.00 C ATOM 1408 C CYS A 87 -8.492 -2.321 4.680 1.00 1.00 C ATOM 1409 O CYS A 87 -7.487 -1.720 5.004 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.202 -3.683 6.666 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.989 -3.419 6.776 1.00 1.00 S ATOM 0 H CYS A 87 -6.776 -4.269 5.707 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.577 -4.181 4.615 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -8.932 -4.614 7.164 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.674 -2.881 7.182 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.358 -1.793 3.862 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.127 -0.426 3.313 1.00 1.00 C ATOM 1418 C ILE A 88 -10.477 0.284 3.183 1.00 1.00 C ATOM 1419 O ILE A 88 -11.507 -0.349 3.064 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.422 -0.542 1.945 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -9.030 0.439 0.935 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.570 -1.965 1.402 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.186 0.459 -0.346 1.00 1.00 C ATOM 0 H ILE A 88 -10.216 -2.248 3.549 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.488 0.156 3.977 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.368 -0.303 2.086 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -10.054 0.147 0.702 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.075 1.439 1.367 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.070 -2.040 0.436 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.118 -2.670 2.100 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.627 -2.201 1.282 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.623 1.158 -1.059 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.170 0.773 -0.107 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.164 -0.539 -0.783 1.00 1.00 H new ATOM 1435 N THR A 89 -10.485 1.592 3.214 1.00 1.00 N ATOM 1436 CA THR A 89 -11.777 2.330 3.103 1.00 1.00 C ATOM 1437 C THR A 89 -11.890 2.962 1.712 1.00 1.00 C ATOM 1438 O THR A 89 -11.002 3.658 1.254 1.00 1.00 O ATOM 1439 CB THR A 89 -11.842 3.407 4.197 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.507 2.874 5.334 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.605 4.640 3.698 1.00 1.00 C ATOM 0 H THR A 89 -9.656 2.178 3.311 1.00 1.00 H new ATOM 0 HA THR A 89 -12.611 1.642 3.238 1.00 1.00 H new ATOM 0 HB THR A 89 -10.827 3.706 4.458 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.551 3.556 6.037 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.640 5.391 4.488 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.098 5.054 2.826 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.621 4.354 3.425 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.991 2.717 1.048 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.211 3.284 -0.313 1.00 1.00 C ATOM 1451 C CYS A 90 -14.367 4.287 -0.248 1.00 1.00 C ATOM 1452 O CYS A 90 -15.021 4.418 0.768 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.562 2.147 -1.280 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.946 2.539 -2.936 1.00 1.00 S ATOM 0 H CYS A 90 -13.756 2.140 1.398 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.310 3.788 -0.663 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -13.124 1.212 -0.931 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.642 2.002 -1.309 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.624 4.992 -1.319 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.737 5.989 -1.321 1.00 1.00 C ATOM 1461 C VAL A 91 -16.705 5.659 -2.465 1.00 1.00 C ATOM 1462 O VAL A 91 -16.982 4.508 -2.736 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.147 7.397 -1.504 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.662 7.587 -2.952 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -16.209 8.457 -1.157 1.00 1.00 C ATOM 0 H VAL A 91 -14.109 4.920 -2.196 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.281 5.952 -0.377 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.295 7.514 -0.834 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.247 8.588 -3.068 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -13.894 6.847 -3.179 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -15.501 7.461 -3.636 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -15.786 9.453 -1.288 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -17.070 8.339 -1.815 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -16.524 8.331 -0.121 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.222 6.650 -3.140 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.166 6.371 -4.259 1.00 1.00 C ATOM 1477 C ASN A 92 -17.541 5.350 -5.199 1.00 1.00 C ATOM 1478 O ASN A 92 -18.186 4.436 -5.672 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.449 7.666 -5.024 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.692 7.483 -5.897 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -20.765 6.949 -5.381 1.00 1.00 O flip ATOM 1482 ND2 ASN A 92 -19.687 7.830 -7.062 1.00 1.00 N flip ATOM 0 H ASN A 92 -17.032 7.637 -2.966 1.00 1.00 H new ATOM 0 HA ASN A 92 -19.101 5.977 -3.860 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.601 8.488 -4.325 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.592 7.929 -5.644 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -18.849 8.248 -7.466 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -20.521 7.704 -7.635 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.285 5.508 -5.458 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.568 4.563 -6.359 1.00 1.00 C ATOM 1491 C GLN A 93 -14.107 5.001 -6.490 1.00 1.00 C ATOM 1492 O GLN A 93 -13.584 5.130 -7.579 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.226 4.559 -7.743 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.463 5.997 -8.211 1.00 1.00 C ATOM 1495 CD GLN A 93 -17.234 5.983 -9.532 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -17.332 4.869 -10.205 1.00 1.00 O flip ATOM 1497 NE2 GLN A 93 -17.751 6.997 -9.957 1.00 1.00 N flip ATOM 0 H GLN A 93 -15.709 6.261 -5.082 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.616 3.558 -5.939 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.590 4.035 -8.456 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.172 4.019 -7.704 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.024 6.549 -7.456 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.510 6.511 -8.339 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -17.674 7.868 -9.431 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.262 6.978 -10.840 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.449 5.231 -5.385 1.00 1.00 N ATOM 1507 CA LEU A 94 -12.020 5.668 -5.428 1.00 1.00 C ATOM 1508 C LEU A 94 -11.333 5.291 -4.105 1.00 1.00 C ATOM 1509 O LEU A 94 -11.483 5.978 -3.116 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.955 7.198 -5.591 1.00 1.00 C ATOM 1511 CG LEU A 94 -12.162 7.603 -7.066 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -13.581 8.151 -7.263 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -11.150 8.691 -7.445 1.00 1.00 C ATOM 0 H LEU A 94 -13.841 5.135 -4.448 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.521 5.181 -6.265 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.718 7.667 -4.970 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.990 7.565 -5.241 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.019 6.726 -7.698 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -13.720 8.435 -8.306 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -14.308 7.384 -6.996 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.725 9.024 -6.627 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -11.296 8.977 -8.487 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.295 9.562 -6.806 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.138 8.309 -7.312 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.573 4.222 -4.082 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.847 3.790 -2.848 1.00 1.00 C ATOM 1527 C PRO A 95 -8.923 4.903 -2.343 1.00 1.00 C ATOM 1528 O PRO A 95 -8.137 5.436 -3.097 1.00 1.00 O ATOM 1529 CB PRO A 95 -9.028 2.571 -3.302 1.00 1.00 C ATOM 1530 CG PRO A 95 -9.669 2.096 -4.566 1.00 1.00 C ATOM 1531 CD PRO A 95 -10.324 3.317 -5.212 1.00 1.00 C ATOM 0 HA PRO A 95 -10.524 3.559 -2.025 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.985 2.841 -3.470 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.036 1.790 -2.542 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -8.929 1.655 -5.234 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -10.410 1.324 -4.358 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.671 3.775 -5.955 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -11.250 3.051 -5.723 1.00 1.00 H new ATOM 1539 N ILE A 96 -9.016 5.283 -1.089 1.00 1.00 N ATOM 1540 CA ILE A 96 -8.136 6.390 -0.603 1.00 1.00 C ATOM 1541 C ILE A 96 -7.632 6.153 0.827 1.00 1.00 C ATOM 1542 O ILE A 96 -6.808 6.905 1.306 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.919 7.713 -0.639 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -10.233 7.572 0.157 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.242 8.089 -2.094 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -10.016 7.965 1.623 1.00 1.00 C ATOM 0 H ILE A 96 -9.649 4.884 -0.396 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.268 6.429 -1.261 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.308 8.495 -0.189 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -11.003 8.204 -0.285 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.592 6.545 0.099 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.797 9.027 -2.113 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.314 8.205 -2.654 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.844 7.302 -2.548 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.953 7.860 2.170 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -9.262 7.315 2.066 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.679 9.000 1.676 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.101 5.150 1.537 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.593 4.969 2.933 1.00 1.00 C ATOM 1560 C HIS A 97 -7.091 3.540 3.151 1.00 1.00 C ATOM 1561 O HIS A 97 -7.811 2.577 2.978 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.722 5.283 3.926 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.529 6.662 4.501 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -9.403 7.701 4.706 1.00 1.00 N flip ATOM 1565 CD2 HIS A 97 -7.295 7.110 4.951 1.00 1.00 C flip ATOM 1566 CE1 HIS A 97 -8.724 8.773 5.272 1.00 1.00 C flip ATOM 1567 NE2 HIS A 97 -7.458 8.368 5.400 1.00 1.00 N flip ATOM 0 H HIS A 97 -8.792 4.470 1.221 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.757 5.650 3.094 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.688 5.220 3.424 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.730 4.543 4.727 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -6.371 6.550 4.942 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -9.134 9.733 5.550 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -6.709 8.940 5.789 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.851 3.408 3.547 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.274 2.058 3.805 1.00 1.00 C ATOM 1578 C PHE A 98 -5.372 1.767 5.304 1.00 1.00 C ATOM 1579 O PHE A 98 -4.669 2.346 6.107 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.803 2.040 3.371 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.107 0.835 3.961 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.357 -0.441 3.442 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.212 0.996 5.025 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.711 -1.557 3.989 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.566 -0.120 5.572 1.00 1.00 C ATOM 1586 CZ PHE A 98 -1.817 -1.396 5.054 1.00 1.00 C ATOM 0 H PHE A 98 -5.210 4.186 3.703 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.820 1.301 3.242 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.736 2.013 2.283 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.307 2.954 3.698 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.047 -0.565 2.621 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.019 1.981 5.424 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.903 -2.542 3.589 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -0.875 0.004 6.393 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.320 -2.257 5.476 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.247 0.882 5.687 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.400 0.562 7.133 1.00 1.00 C ATOM 1598 C ALA A 99 -5.118 -0.085 7.665 1.00 1.00 C ATOM 1599 O ALA A 99 -4.389 0.505 8.439 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.574 -0.403 7.308 1.00 1.00 C ATOM 0 H ALA A 99 -6.864 0.365 5.061 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.589 1.479 7.690 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.693 -0.643 8.365 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.487 0.063 6.936 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.380 -1.318 6.748 1.00 1.00 H new ATOM 1606 N GLY A 100 -4.837 -1.295 7.262 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.606 -1.979 7.750 1.00 1.00 C ATOM 1608 C GLY A 100 -3.419 -3.296 6.997 1.00 1.00 C ATOM 1609 O GLY A 100 -3.427 -3.333 5.783 1.00 1.00 O ATOM 0 H GLY A 100 -5.408 -1.839 6.615 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -2.738 -1.337 7.601 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -3.683 -2.168 8.821 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.243 -4.382 7.708 1.00 1.00 N ATOM 1614 CA VAL A 101 -3.049 -5.701 7.035 1.00 1.00 C ATOM 1615 C VAL A 101 -3.908 -6.767 7.724 1.00 1.00 C ATOM 1616 O VAL A 101 -4.088 -6.753 8.926 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.574 -6.099 7.121 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.103 -6.000 8.573 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -1.401 -7.539 6.628 1.00 1.00 C ATOM 0 H VAL A 101 -3.225 -4.411 8.727 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.348 -5.622 5.990 1.00 1.00 H new ATOM 0 HB VAL A 101 -0.982 -5.428 6.498 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.052 -6.283 8.635 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.224 -4.976 8.926 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.697 -6.670 9.195 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -0.350 -7.821 6.690 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.994 -8.210 7.249 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -1.736 -7.612 5.593 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.432 -7.694 6.969 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.274 -8.769 7.570 1.00 1.00 C ATOM 1631 C GLY A 102 -6.713 -8.273 7.735 1.00 1.00 C ATOM 1632 O GLY A 102 -7.091 -7.246 7.206 1.00 1.00 O ATOM 0 H GLY A 102 -4.313 -7.754 5.958 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.256 -9.655 6.935 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.868 -9.062 8.538 1.00 1.00 H new ATOM 1636 N SER A 103 -7.519 -8.999 8.461 1.00 1.00 N ATOM 1637 CA SER A 103 -8.936 -8.578 8.657 1.00 1.00 C ATOM 1638 C SER A 103 -9.009 -7.478 9.718 1.00 1.00 C ATOM 1639 O SER A 103 -8.417 -7.577 10.774 1.00 1.00 O ATOM 1640 CB SER A 103 -9.765 -9.780 9.113 1.00 1.00 C ATOM 1641 OG SER A 103 -9.516 -10.877 8.246 1.00 1.00 O ATOM 0 H SER A 103 -7.257 -9.867 8.928 1.00 1.00 H new ATOM 0 HA SER A 103 -9.331 -8.196 7.716 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.508 -10.046 10.138 1.00 1.00 H new ATOM 0 HB3 SER A 103 -10.826 -9.529 9.105 1.00 1.00 H new ATOM 0 HG SER A 103 -10.044 -11.650 8.536 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.739 -6.430 9.444 1.00 1.00 N ATOM 1648 CA CYS A 104 -9.859 -5.323 10.435 1.00 1.00 C ATOM 1649 C CYS A 104 -10.908 -5.702 11.487 1.00 1.00 C ATOM 1650 O CYS A 104 -11.829 -6.444 11.211 1.00 1.00 O ATOM 1651 CB CYS A 104 -10.294 -4.042 9.714 1.00 1.00 C ATOM 1652 SG CYS A 104 -11.522 -4.448 8.446 1.00 1.00 S ATOM 0 H CYS A 104 -10.257 -6.293 8.576 1.00 1.00 H new ATOM 0 HA CYS A 104 -8.898 -5.156 10.921 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -10.714 -3.335 10.429 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -9.431 -3.558 9.257 1.00 1.00 H new ATOM 1657 N PRO A 105 -10.772 -5.194 12.687 1.00 1.00 N ATOM 1658 CA PRO A 105 -11.729 -5.487 13.796 1.00 1.00 C ATOM 1659 C PRO A 105 -13.098 -4.839 13.559 1.00 1.00 C ATOM 1660 O PRO A 105 -13.218 -4.085 12.608 1.00 1.00 O ATOM 1661 CB PRO A 105 -11.052 -4.888 15.034 1.00 1.00 C ATOM 1662 CG PRO A 105 -10.147 -3.822 14.506 1.00 1.00 C ATOM 1663 CD PRO A 105 -9.695 -4.289 13.123 1.00 1.00 C ATOM 1664 OXT PRO A 105 -14.000 -5.107 14.336 1.00 1.00 O ATOM 0 HA PRO A 105 -11.929 -6.554 13.890 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -11.787 -4.474 15.724 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -10.491 -5.645 15.582 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -10.667 -2.866 14.443 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -9.292 -3.676 15.166 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -9.575 -3.450 12.437 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -8.735 -4.803 13.169 1.00 1.00 H new TER 1672 PRO A 105