USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 861 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 44 SER OG : rot -170:sc= 0.902 USER MOD Set 1.2: A 47 THR OG1 : rot 168:sc= 0.377 USER MOD Set 2.1: A 23 MET CE :methyl -153:sc= 0 (180deg=-0.097) USER MOD Set 2.2: A 38 ASN : amide:sc= -4.44! C(o=-3.4!,f=-4.5!) USER MOD Set 2.3: A 83 TYR OH : rot -59:sc= 1.07 USER MOD Set 3.1: A 7 GLN :FLIP amide:sc= -0.598 X(o=-1.6,f=-1.5) USER MOD Set 3.2: A 8 GLN :FLIP amide:sc= -0.915 F(o=-4.4,f=-1.5) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -12! C(o=-12!,f=-14!) USER MOD Single : A 13 ASN : amide:sc= -3.33 X(o=-3.3,f=-3.5!) USER MOD Single : A 14 THR OG1 : rot 34:sc= 0.398 USER MOD Single : A 18 ASN : amide:sc= -3.26 K(o=-3.3,f=-10!) USER MOD Single : A 20 ASN : amide:sc= -1 K(o=-1,f=-1.5) USER MOD Single : A 21 THR OG1 : rot -170:sc= -1.85 USER MOD Single : A 25 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.5!) USER MOD Single : A 26 ASN : amide:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 28 TYR OH : rot 100:sc= -1.02 USER MOD Single : A 33 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= -0.241 (180deg=-1.15!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -7:sc= -0.352 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.747 X(o=-0.75,f=-0.62) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00665 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00993 X(o=-0.0099,f=-0.22) USER MOD Single : A 69 ASN : amide:sc= -0.341 K(o=-0.34,f=-3.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00279 USER MOD Single : A 75 SER OG : rot 55:sc= 0.177 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 170:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.91! C(o=-4.9!,f=-6.6!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.21) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 60:sc= -1.92! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -6.18! C(o=-7.4!,f=-6.2!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -3.018 5.368 8.931 1.00 12.00 N HETATM 2 CA PCA A 1 -3.711 4.290 8.135 1.00 12.00 C HETATM 3 CB PCA A 1 -3.584 4.648 6.655 1.00 12.00 C HETATM 4 CG PCA A 1 -2.919 6.001 6.638 1.00 12.00 C HETATM 5 CD PCA A 1 -2.628 6.318 8.097 1.00 12.00 C HETATM 6 OE PCA A 1 -2.087 7.344 8.460 1.00 12.00 O HETATM 7 C PCA A 1 -3.065 2.926 8.413 1.00 12.00 C HETATM 8 O PCA A 1 -2.322 2.770 9.367 1.00 12.00 O HETATM 0 H2 PCA A 1 -3.465 6.286 8.734 1.00 12.00 H new HETATM 0 HA PCA A 1 -4.762 4.225 8.418 1.00 12.00 H new HETATM 0 HB2 PCA A 1 -2.989 3.909 6.120 1.00 12.00 H new HETATM 0 HB3 PCA A 1 -4.560 4.682 6.172 1.00 12.00 H new HETATM 0 HG2 PCA A 1 -2.003 5.982 6.048 1.00 12.00 H new HETATM 0 HG3 PCA A 1 -3.569 6.754 6.193 1.00 12.00 H new ATOM 15 N ASN A 2 -3.361 1.946 7.582 1.00 12.00 N ATOM 16 CA ASN A 2 -2.793 0.571 7.768 1.00 12.00 C ATOM 17 C ASN A 2 -3.055 -0.252 6.490 1.00 12.00 C ATOM 18 O ASN A 2 -3.911 0.092 5.700 1.00 12.00 O ATOM 19 CB ASN A 2 -3.453 -0.076 8.997 1.00 12.00 C ATOM 20 CG ASN A 2 -2.967 -1.519 9.175 1.00 12.00 C ATOM 21 OD1 ASN A 2 -1.782 -1.781 9.156 1.00 12.00 O ATOM 22 ND2 ASN A 2 -3.842 -2.469 9.361 1.00 12.00 N ATOM 0 H ASN A 2 -3.978 2.045 6.776 1.00 12.00 H new ATOM 0 HA ASN A 2 -1.717 0.612 7.937 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -3.219 0.505 9.889 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.537 -0.063 8.883 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -3.530 -3.431 9.490 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -4.838 -2.249 9.377 1.00 12.00 H new ATOM 29 N TRP A 3 -2.293 -1.305 6.280 1.00 12.00 N ATOM 30 CA TRP A 3 -2.430 -2.162 5.035 1.00 12.00 C ATOM 31 C TRP A 3 -3.750 -2.969 5.062 1.00 12.00 C ATOM 32 O TRP A 3 -4.246 -3.348 4.022 1.00 12.00 O ATOM 33 CB TRP A 3 -1.252 -3.157 4.982 1.00 12.00 C ATOM 34 CG TRP A 3 -0.462 -3.112 3.698 1.00 12.00 C ATOM 35 CD1 TRP A 3 0.882 -2.987 3.678 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.876 -3.241 2.288 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.331 -3.056 2.376 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.295 -3.207 1.483 1.00 12.00 C ATOM 39 CE3 TRP A 3 -2.114 -3.383 1.624 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.242 -3.328 0.093 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -2.167 -3.503 0.221 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.990 -3.478 -0.542 1.00 12.00 C ATOM 0 H TRP A 3 -1.568 -1.618 6.926 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.431 -1.509 4.163 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.581 -2.953 5.816 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.637 -4.167 5.123 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.509 -2.854 4.547 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.313 -3.002 2.107 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -3.029 -3.400 2.197 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.152 -3.305 -0.488 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -3.122 -3.615 -0.271 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -1.038 -3.575 -1.617 1.00 12.00 H new ATOM 53 N ALA A 4 -4.290 -3.262 6.236 1.00 12.00 N ATOM 54 CA ALA A 4 -5.560 -4.081 6.329 1.00 12.00 C ATOM 55 C ALA A 4 -6.780 -3.215 5.994 1.00 12.00 C ATOM 56 O ALA A 4 -7.502 -3.481 5.042 1.00 12.00 O ATOM 57 CB ALA A 4 -5.705 -4.641 7.745 1.00 12.00 C ATOM 0 H ALA A 4 -3.905 -2.969 7.134 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.503 -4.901 5.613 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.619 -5.230 7.811 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.848 -5.274 7.976 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.751 -3.818 8.459 1.00 12.00 H new ATOM 63 N THR A 5 -7.009 -2.175 6.761 1.00 12.00 N ATOM 64 CA THR A 5 -8.162 -1.261 6.480 1.00 12.00 C ATOM 65 C THR A 5 -7.970 -0.668 5.081 1.00 12.00 C ATOM 66 O THR A 5 -8.928 -0.375 4.383 1.00 12.00 O ATOM 67 CB THR A 5 -8.205 -0.145 7.524 1.00 12.00 C ATOM 68 OG1 THR A 5 -8.241 -0.717 8.822 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.455 0.701 7.299 1.00 12.00 C ATOM 0 H THR A 5 -6.445 -1.919 7.572 1.00 12.00 H new ATOM 0 HA THR A 5 -9.102 -1.811 6.527 1.00 12.00 H new ATOM 0 HB THR A 5 -7.319 0.483 7.432 1.00 12.00 H new ATOM 0 HG1 THR A 5 -8.267 -0.003 9.493 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.492 1.499 8.040 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.426 1.135 6.300 1.00 12.00 H new ATOM 0 HG23 THR A 5 -10.341 0.074 7.396 1.00 12.00 H new ATOM 77 N PHE A 6 -6.723 -0.525 4.667 1.00 12.00 N ATOM 78 CA PHE A 6 -6.417 0.008 3.312 1.00 12.00 C ATOM 79 C PHE A 6 -6.542 -1.120 2.285 1.00 12.00 C ATOM 80 O PHE A 6 -6.809 -0.858 1.133 1.00 12.00 O ATOM 81 CB PHE A 6 -5.013 0.587 3.292 1.00 12.00 C ATOM 82 CG PHE A 6 -4.772 1.280 1.967 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.496 0.508 0.836 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.820 2.690 1.862 1.00 12.00 C ATOM 85 CE1 PHE A 6 -4.268 1.120 -0.391 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.593 3.304 0.627 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.317 2.517 -0.499 1.00 12.00 C ATOM 0 H PHE A 6 -5.903 -0.761 5.226 1.00 12.00 H new ATOM 0 HA PHE A 6 -7.123 0.799 3.061 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.888 1.294 4.112 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -4.279 -0.205 3.439 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.460 -0.568 0.915 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -5.032 3.291 2.734 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -4.053 0.519 -1.262 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.630 4.380 0.541 1.00 12.00 H new ATOM 0 HZ PHE A 6 -4.141 2.989 -1.454 1.00 12.00 H new ATOM 97 N GLN A 7 -6.400 -2.380 2.692 1.00 12.00 N ATOM 98 CA GLN A 7 -6.564 -3.512 1.702 1.00 12.00 C ATOM 99 C GLN A 7 -7.961 -3.383 1.083 1.00 12.00 C ATOM 100 O GLN A 7 -8.181 -3.742 -0.061 1.00 12.00 O ATOM 101 CB GLN A 7 -6.349 -4.902 2.360 1.00 12.00 C ATOM 102 CG GLN A 7 -7.583 -5.382 3.153 1.00 12.00 C ATOM 103 CD GLN A 7 -8.193 -6.613 2.474 1.00 12.00 C ATOM 104 OE1 GLN A 7 -8.231 -6.679 1.172 1.00 12.00 O flip ATOM 105 NE2 GLN A 7 -8.642 -7.525 3.140 1.00 12.00 N flip ATOM 0 H GLN A 7 -6.182 -2.664 3.647 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.801 -3.440 0.927 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -6.112 -5.633 1.587 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -5.489 -4.854 3.028 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.297 -5.625 4.176 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -8.323 -4.583 3.210 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -8.613 -7.475 4.158 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -9.048 -8.340 2.681 1.00 12.00 H new ATOM 114 N GLN A 8 -8.883 -2.821 1.846 1.00 12.00 N ATOM 115 CA GLN A 8 -10.260 -2.580 1.342 1.00 12.00 C ATOM 116 C GLN A 8 -10.242 -1.255 0.568 1.00 12.00 C ATOM 117 O GLN A 8 -10.892 -1.111 -0.455 1.00 12.00 O ATOM 118 CB GLN A 8 -11.227 -2.469 2.525 1.00 12.00 C ATOM 119 CG GLN A 8 -11.771 -3.857 2.879 1.00 12.00 C ATOM 120 CD GLN A 8 -11.018 -4.410 4.091 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.457 -5.584 4.012 1.00 12.00 O flip ATOM 122 NE2 GLN A 8 -10.942 -3.767 5.118 1.00 12.00 N flip ATOM 0 H GLN A 8 -8.724 -2.520 2.808 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.585 -3.399 0.700 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.716 -2.038 3.386 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -12.049 -1.799 2.274 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.837 -3.796 3.097 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -11.658 -4.531 2.030 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -11.381 -2.849 5.178 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -10.439 -4.145 5.920 1.00 12.00 H new ATOM 131 N LYS A 9 -9.473 -0.291 1.060 1.00 12.00 N ATOM 132 CA LYS A 9 -9.354 1.053 0.394 1.00 12.00 C ATOM 133 C LYS A 9 -9.096 0.881 -1.112 1.00 12.00 C ATOM 134 O LYS A 9 -9.748 1.507 -1.933 1.00 12.00 O ATOM 135 CB LYS A 9 -8.200 1.844 1.048 1.00 12.00 C ATOM 136 CG LYS A 9 -8.100 3.239 0.429 1.00 12.00 C ATOM 137 CD LYS A 9 -9.195 4.138 1.019 1.00 12.00 C ATOM 138 CE LYS A 9 -9.662 5.149 -0.034 1.00 12.00 C ATOM 139 NZ LYS A 9 -10.972 4.714 -0.601 1.00 12.00 N ATOM 0 H LYS A 9 -8.917 -0.388 1.909 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.287 1.603 0.520 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -8.368 1.926 2.122 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.260 1.309 0.912 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -7.117 3.667 0.626 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -8.209 3.177 -0.654 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -10.037 3.531 1.351 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -8.814 4.662 1.896 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -9.759 6.138 0.415 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -8.920 5.231 -0.828 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -11.287 5.401 -1.315 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -10.865 3.779 -1.044 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -11.678 4.658 0.160 1.00 12.00 H new ATOM 153 N HIS A 10 -8.158 0.034 -1.466 1.00 12.00 N ATOM 154 CA HIS A 10 -7.838 -0.212 -2.906 1.00 12.00 C ATOM 155 C HIS A 10 -8.463 -1.508 -3.422 1.00 12.00 C ATOM 156 O HIS A 10 -8.493 -1.702 -4.630 1.00 12.00 O ATOM 157 CB HIS A 10 -6.306 -0.284 -3.122 1.00 12.00 C ATOM 158 CG HIS A 10 -5.829 0.938 -3.849 1.00 12.00 C ATOM 159 ND1 HIS A 10 -6.478 1.414 -4.975 1.00 12.00 N ATOM 160 CD2 HIS A 10 -4.752 1.762 -3.661 1.00 12.00 C ATOM 161 CE1 HIS A 10 -5.792 2.476 -5.419 1.00 12.00 C ATOM 162 NE2 HIS A 10 -4.728 2.735 -4.654 1.00 12.00 N ATOM 0 H HIS A 10 -7.594 -0.504 -0.808 1.00 12.00 H new ATOM 0 HA HIS A 10 -8.258 0.625 -3.463 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.799 -0.365 -2.161 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -6.053 -1.178 -3.692 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -4.031 1.670 -2.863 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -6.066 3.053 -6.290 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -4.046 3.484 -4.773 1.00 12.00 H new ATOM 170 N ILE A 11 -8.887 -2.433 -2.561 1.00 12.00 N ATOM 171 CA ILE A 11 -9.393 -3.733 -3.121 1.00 12.00 C ATOM 172 C ILE A 11 -10.650 -4.341 -2.450 1.00 12.00 C ATOM 173 O ILE A 11 -10.577 -5.392 -1.815 1.00 12.00 O ATOM 174 CB ILE A 11 -8.249 -4.768 -3.062 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.965 -4.180 -3.663 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.652 -6.029 -3.849 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.124 -3.527 -2.559 1.00 12.00 C ATOM 0 H ILE A 11 -8.902 -2.343 -1.545 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.713 -3.495 -4.135 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.065 -5.028 -2.020 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.390 -4.965 -4.154 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -7.215 -3.443 -4.426 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.843 -6.759 -3.806 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.552 -6.459 -3.410 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.846 -5.763 -4.888 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.214 -3.112 -2.992 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.698 -2.729 -2.088 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -5.861 -4.275 -1.811 1.00 12.00 H new ATOM 189 N ILE A 12 -11.817 -3.790 -2.713 1.00 12.00 N ATOM 190 CA ILE A 12 -13.066 -4.459 -2.237 1.00 12.00 C ATOM 191 C ILE A 12 -13.536 -5.233 -3.480 1.00 12.00 C ATOM 192 O ILE A 12 -14.558 -4.944 -4.077 1.00 12.00 O ATOM 193 CB ILE A 12 -14.128 -3.452 -1.779 1.00 12.00 C ATOM 194 CG1 ILE A 12 -14.366 -2.407 -2.877 1.00 12.00 C ATOM 195 CG2 ILE A 12 -13.666 -2.762 -0.494 1.00 12.00 C ATOM 196 CD1 ILE A 12 -15.851 -2.374 -3.242 1.00 12.00 C ATOM 0 H ILE A 12 -11.953 -2.920 -3.228 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.895 -5.091 -1.366 1.00 12.00 H new ATOM 0 HB ILE A 12 -15.061 -3.981 -1.585 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -14.044 -1.424 -2.533 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -13.770 -2.648 -3.757 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -14.424 -2.047 -0.172 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -13.516 -3.508 0.286 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -12.728 -2.238 -0.679 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -16.018 -1.631 -4.022 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -16.159 -3.355 -3.604 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -16.437 -2.112 -2.361 1.00 12.00 H new ATOM 208 N ASN A 13 -12.703 -6.167 -3.904 1.00 12.00 N ATOM 209 CA ASN A 13 -12.948 -6.959 -5.154 1.00 12.00 C ATOM 210 C ASN A 13 -14.094 -7.971 -4.995 1.00 12.00 C ATOM 211 O ASN A 13 -13.875 -9.168 -4.850 1.00 12.00 O ATOM 212 CB ASN A 13 -11.655 -7.694 -5.546 1.00 12.00 C ATOM 213 CG ASN A 13 -11.067 -8.450 -4.344 1.00 12.00 C ATOM 214 OD1 ASN A 13 -11.782 -8.864 -3.450 1.00 12.00 O ATOM 215 ND2 ASN A 13 -9.777 -8.648 -4.288 1.00 12.00 N ATOM 0 H ASN A 13 -11.841 -6.416 -3.418 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.245 -6.261 -5.937 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -11.861 -8.394 -6.355 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -10.925 -6.978 -5.923 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -9.372 -9.148 -3.497 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -9.175 -8.302 -5.035 1.00 12.00 H new ATOM 222 N THR A 14 -15.312 -7.497 -5.076 1.00 12.00 N ATOM 223 CA THR A 14 -16.495 -8.404 -4.995 1.00 12.00 C ATOM 224 C THR A 14 -17.301 -8.225 -6.302 1.00 12.00 C ATOM 225 O THR A 14 -17.678 -7.106 -6.605 1.00 12.00 O ATOM 226 CB THR A 14 -17.361 -8.028 -3.787 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.620 -6.633 -3.804 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.631 -8.401 -2.493 1.00 12.00 C ATOM 0 H THR A 14 -15.538 -6.510 -5.196 1.00 12.00 H new ATOM 0 HA THR A 14 -16.181 -9.441 -4.875 1.00 12.00 H new ATOM 0 HB THR A 14 -18.305 -8.571 -3.836 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.691 -6.325 -4.732 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.249 -8.133 -1.636 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.439 -9.474 -2.480 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.685 -7.862 -2.441 1.00 12.00 H new ATOM 236 N PRO A 15 -17.536 -9.300 -7.068 1.00 12.00 N ATOM 237 CA PRO A 15 -18.279 -9.192 -8.348 1.00 12.00 C ATOM 238 C PRO A 15 -19.777 -8.927 -8.127 1.00 12.00 C ATOM 239 O PRO A 15 -20.513 -8.741 -9.083 1.00 12.00 O ATOM 240 CB PRO A 15 -18.046 -10.539 -9.034 1.00 12.00 C ATOM 241 CG PRO A 15 -17.666 -11.534 -7.920 1.00 12.00 C ATOM 242 CD PRO A 15 -17.115 -10.696 -6.751 1.00 12.00 C ATOM 0 HA PRO A 15 -17.933 -8.351 -8.949 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.943 -10.868 -9.559 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -17.251 -10.465 -9.776 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -18.534 -12.114 -7.606 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -16.919 -12.245 -8.273 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -17.524 -11.028 -5.796 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -16.030 -10.778 -6.679 1.00 12.00 H new ATOM 250 N ILE A 16 -20.228 -8.890 -6.886 1.00 12.00 N ATOM 251 CA ILE A 16 -21.671 -8.615 -6.602 1.00 12.00 C ATOM 252 C ILE A 16 -22.008 -7.201 -7.101 1.00 12.00 C ATOM 253 O ILE A 16 -21.122 -6.378 -7.274 1.00 12.00 O ATOM 254 CB ILE A 16 -21.915 -8.722 -5.089 1.00 12.00 C ATOM 255 CG1 ILE A 16 -23.390 -8.457 -4.778 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.050 -7.702 -4.343 1.00 12.00 C ATOM 257 CD1 ILE A 16 -23.755 -9.118 -3.450 1.00 12.00 C ATOM 0 H ILE A 16 -19.650 -9.040 -6.059 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.307 -9.338 -7.112 1.00 12.00 H new ATOM 0 HB ILE A 16 -21.649 -9.728 -4.763 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -23.575 -7.384 -4.726 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -24.018 -8.850 -5.577 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -21.231 -7.786 -3.271 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -19.998 -7.897 -4.550 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -21.305 -6.696 -4.676 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -24.805 -8.930 -3.227 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -23.585 -10.192 -3.520 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -23.135 -8.703 -2.655 1.00 12.00 H new ATOM 269 N ILE A 17 -23.275 -6.920 -7.325 1.00 12.00 N ATOM 270 CA ILE A 17 -23.690 -5.558 -7.809 1.00 12.00 C ATOM 271 C ILE A 17 -24.406 -4.829 -6.662 1.00 12.00 C ATOM 272 O ILE A 17 -25.389 -4.129 -6.854 1.00 12.00 O ATOM 273 CB ILE A 17 -24.610 -5.708 -9.032 1.00 12.00 C ATOM 274 CG1 ILE A 17 -25.026 -4.321 -9.540 1.00 12.00 C ATOM 275 CG2 ILE A 17 -25.860 -6.509 -8.648 1.00 12.00 C ATOM 276 CD1 ILE A 17 -25.045 -4.316 -11.069 1.00 12.00 C ATOM 0 H ILE A 17 -24.042 -7.579 -7.193 1.00 12.00 H new ATOM 0 HA ILE A 17 -22.820 -4.975 -8.110 1.00 12.00 H new ATOM 0 HB ILE A 17 -24.072 -6.236 -9.820 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -26.012 -4.062 -9.154 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -24.331 -3.565 -9.173 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -26.508 -6.612 -9.519 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -25.565 -7.498 -8.296 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -26.397 -5.988 -7.856 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -25.341 -3.330 -11.426 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -24.051 -4.555 -11.446 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -25.757 -5.060 -11.426 1.00 12.00 H new ATOM 288 N ASN A 18 -23.897 -5.004 -5.465 1.00 12.00 N ATOM 289 CA ASN A 18 -24.502 -4.349 -4.257 1.00 12.00 C ATOM 290 C ASN A 18 -23.400 -3.609 -3.493 1.00 12.00 C ATOM 291 O ASN A 18 -22.622 -4.221 -2.779 1.00 12.00 O ATOM 292 CB ASN A 18 -25.130 -5.427 -3.360 1.00 12.00 C ATOM 293 CG ASN A 18 -26.069 -6.308 -4.188 1.00 12.00 C ATOM 294 OD1 ASN A 18 -25.673 -6.860 -5.196 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.306 -6.467 -3.802 1.00 12.00 N ATOM 0 H ASN A 18 -23.078 -5.580 -5.270 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.274 -3.641 -4.558 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.348 -6.037 -2.908 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.681 -4.959 -2.544 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -27.939 -7.054 -4.346 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -27.640 -6.005 -2.956 1.00 12.00 H new ATOM 302 N CYS A 19 -23.322 -2.299 -3.656 1.00 12.00 N ATOM 303 CA CYS A 19 -22.250 -1.502 -2.953 1.00 12.00 C ATOM 304 C CYS A 19 -22.570 -1.337 -1.464 1.00 12.00 C ATOM 305 O CYS A 19 -21.686 -1.025 -0.692 1.00 12.00 O ATOM 306 CB CYS A 19 -22.090 -0.103 -3.580 1.00 12.00 C ATOM 307 SG CYS A 19 -21.832 -0.250 -5.364 1.00 12.00 S ATOM 0 H CYS A 19 -23.951 -1.751 -4.242 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.320 -2.058 -3.067 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -22.978 0.497 -3.381 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.246 0.415 -3.124 1.00 12.00 H new ATOM 312 N ASN A 20 -23.812 -1.536 -1.053 1.00 12.00 N ATOM 313 CA ASN A 20 -24.165 -1.364 0.406 1.00 12.00 C ATOM 314 C ASN A 20 -23.776 -2.617 1.194 1.00 12.00 C ATOM 315 O ASN A 20 -23.050 -2.540 2.171 1.00 12.00 O ATOM 316 CB ASN A 20 -25.670 -1.079 0.581 1.00 12.00 C ATOM 317 CG ASN A 20 -26.517 -1.971 -0.336 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.720 -1.656 -1.493 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.031 -3.071 0.137 1.00 12.00 N ATOM 0 H ASN A 20 -24.588 -1.807 -1.657 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.607 -0.510 0.791 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.956 -1.246 1.620 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -25.872 -0.031 0.360 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.602 -3.666 -0.463 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -26.862 -3.337 1.107 1.00 12.00 H new ATOM 326 N THR A 21 -24.261 -3.758 0.773 1.00 12.00 N ATOM 327 CA THR A 21 -23.953 -5.048 1.474 1.00 12.00 C ATOM 328 C THR A 21 -22.440 -5.260 1.551 1.00 12.00 C ATOM 329 O THR A 21 -21.950 -5.873 2.487 1.00 12.00 O ATOM 330 CB THR A 21 -24.603 -6.228 0.723 1.00 12.00 C ATOM 331 OG1 THR A 21 -24.807 -5.897 -0.647 1.00 12.00 O ATOM 332 CG2 THR A 21 -25.947 -6.571 1.370 1.00 12.00 C ATOM 0 H THR A 21 -24.868 -3.854 -0.041 1.00 12.00 H new ATOM 0 HA THR A 21 -24.358 -4.999 2.485 1.00 12.00 H new ATOM 0 HB THR A 21 -23.936 -7.088 0.781 1.00 12.00 H new ATOM 0 HG1 THR A 21 -25.358 -6.587 -1.072 1.00 12.00 H new ATOM 0 HG21 THR A 21 -26.405 -7.405 0.838 1.00 12.00 H new ATOM 0 HG22 THR A 21 -25.789 -6.848 2.412 1.00 12.00 H new ATOM 0 HG23 THR A 21 -26.606 -5.704 1.321 1.00 12.00 H new ATOM 340 N ILE A 22 -21.701 -4.766 0.576 1.00 12.00 N ATOM 341 CA ILE A 22 -20.215 -4.942 0.584 1.00 12.00 C ATOM 342 C ILE A 22 -19.562 -3.901 1.503 1.00 12.00 C ATOM 343 O ILE A 22 -18.592 -4.202 2.180 1.00 12.00 O ATOM 344 CB ILE A 22 -19.660 -4.824 -0.840 1.00 12.00 C ATOM 345 CG1 ILE A 22 -19.934 -3.429 -1.412 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.330 -5.873 -1.730 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.203 -3.283 -2.747 1.00 12.00 C ATOM 0 H ILE A 22 -22.069 -4.249 -0.223 1.00 12.00 H new ATOM 0 HA ILE A 22 -19.981 -5.936 0.966 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.583 -4.987 -0.811 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.005 -3.284 -1.552 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.597 -2.663 -0.713 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -19.939 -5.793 -2.744 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -20.122 -6.869 -1.338 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.407 -5.705 -1.742 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.394 -2.292 -3.160 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.132 -3.411 -2.591 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -19.562 -4.041 -3.443 1.00 12.00 H new ATOM 359 N MET A 23 -20.085 -2.686 1.533 1.00 12.00 N ATOM 360 CA MET A 23 -19.492 -1.628 2.415 1.00 12.00 C ATOM 361 C MET A 23 -20.189 -1.619 3.788 1.00 12.00 C ATOM 362 O MET A 23 -19.933 -0.746 4.602 1.00 12.00 O ATOM 363 CB MET A 23 -19.595 -0.245 1.743 1.00 12.00 C ATOM 364 CG MET A 23 -21.044 0.260 1.713 1.00 12.00 C ATOM 365 SD MET A 23 -21.182 1.568 0.467 1.00 12.00 S ATOM 366 CE MET A 23 -22.639 2.386 1.152 1.00 12.00 C ATOM 0 H MET A 23 -20.893 -2.389 0.985 1.00 12.00 H new ATOM 0 HA MET A 23 -18.437 -1.856 2.568 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.971 0.469 2.280 1.00 12.00 H new ATOM 0 HB3 MET A 23 -19.208 -0.304 0.726 1.00 12.00 H new ATOM 0 HG2 MET A 23 -21.724 -0.559 1.477 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.331 0.641 2.693 1.00 12.00 H new ATOM 0 HE1 MET A 23 -23.183 2.889 0.353 1.00 12.00 H new ATOM 0 HE2 MET A 23 -23.286 1.644 1.621 1.00 12.00 H new ATOM 0 HE3 MET A 23 -22.328 3.119 1.897 1.00 12.00 H new ATOM 376 N ASP A 24 -21.039 -2.597 4.057 1.00 12.00 N ATOM 377 CA ASP A 24 -21.729 -2.670 5.389 1.00 12.00 C ATOM 378 C ASP A 24 -20.645 -2.893 6.452 1.00 12.00 C ATOM 379 O ASP A 24 -20.242 -4.017 6.713 1.00 12.00 O ATOM 380 CB ASP A 24 -22.726 -3.844 5.374 1.00 12.00 C ATOM 381 CG ASP A 24 -24.049 -3.443 4.686 1.00 12.00 C ATOM 382 OD1 ASP A 24 -24.216 -2.279 4.343 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.885 -4.315 4.526 1.00 12.00 O ATOM 0 H ASP A 24 -21.281 -3.345 3.408 1.00 12.00 H new ATOM 0 HA ASP A 24 -22.281 -1.756 5.606 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -22.284 -4.693 4.852 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -22.927 -4.167 6.395 1.00 12.00 H new ATOM 388 N ASN A 25 -20.140 -1.818 7.025 1.00 12.00 N ATOM 389 CA ASN A 25 -19.038 -1.920 8.032 1.00 12.00 C ATOM 390 C ASN A 25 -18.797 -0.544 8.656 1.00 12.00 C ATOM 391 O ASN A 25 -18.983 0.472 8.005 1.00 12.00 O ATOM 392 CB ASN A 25 -17.761 -2.368 7.293 1.00 12.00 C ATOM 393 CG ASN A 25 -16.659 -2.814 8.270 1.00 12.00 C ATOM 394 OD1 ASN A 25 -16.798 -2.725 9.474 1.00 12.00 O ATOM 395 ND2 ASN A 25 -15.551 -3.307 7.788 1.00 12.00 N ATOM 0 H ASN A 25 -20.452 -0.866 6.832 1.00 12.00 H new ATOM 0 HA ASN A 25 -19.300 -2.632 8.815 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -18.002 -3.189 6.618 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -17.391 -1.548 6.678 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -14.812 -3.613 8.420 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -15.424 -3.386 6.779 1.00 12.00 H new ATOM 402 N ASN A 26 -18.368 -0.508 9.902 1.00 12.00 N ATOM 403 CA ASN A 26 -18.083 0.804 10.581 1.00 12.00 C ATOM 404 C ASN A 26 -16.930 1.528 9.864 1.00 12.00 C ATOM 405 O ASN A 26 -16.696 2.699 10.112 1.00 12.00 O ATOM 406 CB ASN A 26 -17.684 0.561 12.040 1.00 12.00 C ATOM 407 CG ASN A 26 -18.935 0.309 12.882 1.00 12.00 C ATOM 408 OD1 ASN A 26 -19.095 -0.748 13.458 1.00 12.00 O ATOM 409 ND2 ASN A 26 -19.837 1.248 12.981 1.00 12.00 N ATOM 0 H ASN A 26 -18.203 -1.333 10.478 1.00 12.00 H new ATOM 0 HA ASN A 26 -18.983 1.418 10.543 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -17.012 -0.294 12.105 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -17.141 1.423 12.427 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -20.675 1.093 13.542 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -19.704 2.136 12.498 1.00 12.00 H new ATOM 416 N ILE A 27 -16.206 0.842 8.986 1.00 12.00 N ATOM 417 CA ILE A 27 -15.062 1.487 8.256 1.00 12.00 C ATOM 418 C ILE A 27 -15.568 2.240 7.008 1.00 12.00 C ATOM 419 O ILE A 27 -14.773 2.653 6.178 1.00 12.00 O ATOM 420 CB ILE A 27 -14.047 0.416 7.815 1.00 12.00 C ATOM 421 CG1 ILE A 27 -13.787 -0.575 8.960 1.00 12.00 C ATOM 422 CG2 ILE A 27 -12.724 1.091 7.427 1.00 12.00 C ATOM 423 CD1 ILE A 27 -12.907 -1.720 8.453 1.00 12.00 C ATOM 0 H ILE A 27 -16.365 -0.137 8.750 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.584 2.195 8.933 1.00 12.00 H new ATOM 0 HB ILE A 27 -14.456 -0.122 6.960 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -13.298 -0.067 9.791 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -14.731 -0.967 9.337 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -12.006 0.332 7.115 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.897 1.786 6.605 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -12.328 1.635 8.285 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -12.722 -2.424 9.265 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -13.413 -2.234 7.636 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -11.958 -1.319 8.097 1.00 12.00 H new ATOM 435 N TYR A 28 -16.874 2.421 6.865 1.00 12.00 N ATOM 436 CA TYR A 28 -17.420 3.147 5.663 1.00 12.00 C ATOM 437 C TYR A 28 -18.694 3.955 6.043 1.00 12.00 C ATOM 438 O TYR A 28 -19.781 3.672 5.552 1.00 12.00 O ATOM 439 CB TYR A 28 -17.756 2.119 4.566 1.00 12.00 C ATOM 440 CG TYR A 28 -16.484 1.619 3.940 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.694 2.488 3.180 1.00 12.00 C ATOM 442 CD2 TYR A 28 -16.091 0.287 4.120 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.511 2.028 2.598 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.905 -0.174 3.537 1.00 12.00 C ATOM 445 CZ TYR A 28 -14.116 0.697 2.776 1.00 12.00 C ATOM 446 OH TYR A 28 -12.946 0.242 2.203 1.00 12.00 O ATOM 0 H TYR A 28 -17.578 2.097 7.528 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.670 3.847 5.296 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.316 1.286 4.992 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.392 2.576 3.808 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.999 3.515 3.043 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.702 -0.383 4.707 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.901 2.699 2.011 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.599 -1.201 3.674 1.00 12.00 H new ATOM 0 HH TYR A 28 -12.236 0.226 2.878 1.00 12.00 H new ATOM 456 N ILE A 29 -18.579 4.959 6.910 1.00 12.00 N ATOM 457 CA ILE A 29 -19.790 5.765 7.300 1.00 12.00 C ATOM 458 C ILE A 29 -19.398 7.218 7.573 1.00 12.00 C ATOM 459 O ILE A 29 -18.293 7.512 8.000 1.00 12.00 O ATOM 460 CB ILE A 29 -20.429 5.180 8.567 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.747 3.692 8.350 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.730 5.942 8.878 1.00 12.00 C ATOM 463 CD1 ILE A 29 -21.331 3.086 9.634 1.00 12.00 C ATOM 0 H ILE A 29 -17.707 5.246 7.354 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.502 5.728 6.476 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.735 5.280 9.402 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.456 3.579 7.530 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.842 3.156 8.065 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -22.187 5.529 9.777 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -21.505 6.997 9.036 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -22.420 5.840 8.041 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -21.553 2.031 9.470 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -20.608 3.183 10.444 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -22.247 3.613 9.901 1.00 12.00 H new ATOM 475 N VAL A 30 -20.330 8.111 7.346 1.00 12.00 N ATOM 476 CA VAL A 30 -20.099 9.576 7.598 1.00 12.00 C ATOM 477 C VAL A 30 -20.759 9.937 8.940 1.00 12.00 C ATOM 478 O VAL A 30 -21.498 9.136 9.496 1.00 12.00 O ATOM 479 CB VAL A 30 -20.742 10.375 6.451 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.432 11.865 6.599 1.00 12.00 C ATOM 481 CG2 VAL A 30 -20.174 9.877 5.121 1.00 12.00 C ATOM 0 H VAL A 30 -21.259 7.886 6.990 1.00 12.00 H new ATOM 0 HA VAL A 30 -19.035 9.810 7.641 1.00 12.00 H new ATOM 0 HB VAL A 30 -21.822 10.234 6.481 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -20.894 12.416 5.780 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -20.828 12.226 7.548 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -19.353 12.016 6.575 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -20.623 10.437 4.301 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -19.094 10.021 5.110 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -20.400 8.817 5.003 1.00 12.00 H new ATOM 491 N GLY A 31 -20.498 11.118 9.470 1.00 12.00 N ATOM 492 CA GLY A 31 -21.107 11.512 10.781 1.00 12.00 C ATOM 493 C GLY A 31 -22.432 12.229 10.526 1.00 12.00 C ATOM 494 O GLY A 31 -22.663 13.324 11.012 1.00 12.00 O ATOM 0 H GLY A 31 -19.890 11.820 9.048 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.271 10.629 11.399 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -20.427 12.164 11.330 1.00 12.00 H new ATOM 498 N GLY A 32 -23.299 11.595 9.767 1.00 12.00 N ATOM 499 CA GLY A 32 -24.634 12.180 9.448 1.00 12.00 C ATOM 500 C GLY A 32 -25.563 11.071 8.938 1.00 12.00 C ATOM 501 O GLY A 32 -26.625 10.847 9.496 1.00 12.00 O ATOM 0 H GLY A 32 -23.129 10.680 9.350 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -25.060 12.648 10.335 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -24.531 12.960 8.694 1.00 12.00 H new ATOM 505 N GLN A 33 -25.164 10.378 7.882 1.00 12.00 N ATOM 506 CA GLN A 33 -26.011 9.274 7.317 1.00 12.00 C ATOM 507 C GLN A 33 -25.184 8.455 6.323 1.00 12.00 C ATOM 508 O GLN A 33 -24.838 7.313 6.581 1.00 12.00 O ATOM 509 CB GLN A 33 -27.225 9.882 6.604 1.00 12.00 C ATOM 510 CG GLN A 33 -28.474 9.064 6.932 1.00 12.00 C ATOM 511 CD GLN A 33 -28.670 7.986 5.865 1.00 12.00 C ATOM 512 OE1 GLN A 33 -27.900 7.050 5.781 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.677 8.078 5.040 1.00 12.00 N ATOM 0 H GLN A 33 -24.284 10.535 7.390 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.352 8.623 8.122 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -27.363 10.917 6.917 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -27.058 9.894 5.527 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.373 8.604 7.915 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -29.348 9.714 6.972 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -30.324 8.864 5.110 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -29.817 7.364 4.325 1.00 12.00 H new ATOM 522 N CYS A 34 -24.868 9.049 5.191 1.00 12.00 N ATOM 523 CA CYS A 34 -24.061 8.352 4.140 1.00 12.00 C ATOM 524 C CYS A 34 -23.082 9.354 3.514 1.00 12.00 C ATOM 525 O CYS A 34 -23.020 10.503 3.924 1.00 12.00 O ATOM 526 CB CYS A 34 -24.999 7.816 3.052 1.00 12.00 C ATOM 527 SG CYS A 34 -25.810 6.302 3.629 1.00 12.00 S ATOM 0 H CYS A 34 -25.141 10.002 4.951 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.510 7.525 4.587 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -25.748 8.568 2.802 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.435 7.613 2.141 1.00 12.00 H new ATOM 532 N LYS A 35 -22.332 8.926 2.520 1.00 12.00 N ATOM 533 CA LYS A 35 -21.363 9.844 1.843 1.00 12.00 C ATOM 534 C LYS A 35 -21.870 10.151 0.433 1.00 12.00 C ATOM 535 O LYS A 35 -22.743 9.470 -0.079 1.00 12.00 O ATOM 536 CB LYS A 35 -19.978 9.184 1.770 1.00 12.00 C ATOM 537 CG LYS A 35 -18.890 10.217 2.104 1.00 12.00 C ATOM 538 CD LYS A 35 -17.761 10.136 1.074 1.00 12.00 C ATOM 539 CE LYS A 35 -16.567 10.957 1.563 1.00 12.00 C ATOM 540 NZ LYS A 35 -16.090 10.416 2.868 1.00 12.00 N ATOM 0 H LYS A 35 -22.352 7.976 2.150 1.00 12.00 H new ATOM 0 HA LYS A 35 -21.278 10.770 2.411 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.926 8.349 2.468 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.811 8.776 0.773 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -19.318 11.220 2.110 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -18.496 10.033 3.104 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.465 9.098 0.923 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -18.105 10.512 0.111 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -15.763 10.922 0.828 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -16.853 12.003 1.674 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.070 10.596 2.967 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -16.601 10.882 3.645 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.266 9.392 2.904 1.00 12.00 H new ATOM 554 N ARG A 36 -21.330 11.177 -0.185 1.00 12.00 N ATOM 555 CA ARG A 36 -21.770 11.561 -1.565 1.00 12.00 C ATOM 556 C ARG A 36 -21.101 10.660 -2.608 1.00 12.00 C ATOM 557 O ARG A 36 -21.583 10.554 -3.726 1.00 12.00 O ATOM 558 CB ARG A 36 -21.387 13.017 -1.835 1.00 12.00 C ATOM 559 CG ARG A 36 -22.048 13.489 -3.131 1.00 12.00 C ATOM 560 CD ARG A 36 -23.552 13.644 -2.912 1.00 12.00 C ATOM 561 NE ARG A 36 -24.152 14.341 -4.084 1.00 12.00 N ATOM 562 CZ ARG A 36 -24.707 13.650 -5.039 1.00 12.00 C ATOM 563 NH1 ARG A 36 -25.815 12.998 -4.814 1.00 12.00 N ATOM 564 NH2 ARG A 36 -24.158 13.619 -6.222 1.00 12.00 N ATOM 0 H ARG A 36 -20.599 11.768 0.211 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.851 11.442 -1.635 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -21.703 13.647 -1.003 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -20.304 13.110 -1.912 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -21.616 14.439 -3.446 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -21.859 12.772 -3.930 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -24.014 12.666 -2.780 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -23.742 14.211 -2.001 1.00 12.00 H new ATOM 0 HE ARG A 36 -24.128 15.359 -4.139 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -26.247 13.029 -3.890 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -26.249 12.457 -5.562 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -23.296 14.135 -6.398 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -24.591 13.079 -6.971 1.00 12.00 H new ATOM 578 N VAL A 37 -20.004 10.011 -2.260 1.00 12.00 N ATOM 579 CA VAL A 37 -19.311 9.118 -3.250 1.00 12.00 C ATOM 580 C VAL A 37 -18.399 8.109 -2.540 1.00 12.00 C ATOM 581 O VAL A 37 -17.404 8.468 -1.931 1.00 12.00 O ATOM 582 CB VAL A 37 -18.489 9.975 -4.240 1.00 12.00 C ATOM 583 CG1 VAL A 37 -17.322 10.678 -3.531 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.935 9.069 -5.342 1.00 12.00 C ATOM 0 H VAL A 37 -19.565 10.062 -1.341 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.069 8.558 -3.798 1.00 12.00 H new ATOM 0 HB VAL A 37 -19.143 10.738 -4.663 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.763 11.273 -4.253 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.711 11.329 -2.748 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.663 9.932 -3.088 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.354 9.665 -6.045 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.296 8.306 -4.898 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.761 8.590 -5.868 1.00 12.00 H new ATOM 594 N ASN A 38 -18.729 6.845 -2.672 1.00 12.00 N ATOM 595 CA ASN A 38 -17.894 5.752 -2.080 1.00 12.00 C ATOM 596 C ASN A 38 -17.105 5.136 -3.238 1.00 12.00 C ATOM 597 O ASN A 38 -17.529 4.168 -3.861 1.00 12.00 O ATOM 598 CB ASN A 38 -18.780 4.689 -1.398 1.00 12.00 C ATOM 599 CG ASN A 38 -19.687 5.350 -0.352 1.00 12.00 C ATOM 600 OD1 ASN A 38 -20.805 4.921 -0.148 1.00 12.00 O ATOM 601 ND2 ASN A 38 -19.250 6.372 0.331 1.00 12.00 N ATOM 0 H ASN A 38 -19.556 6.521 -3.174 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.227 6.143 -1.312 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.387 4.177 -2.145 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.154 3.934 -0.923 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -19.847 6.808 1.034 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -18.312 6.735 0.162 1.00 12.00 H new ATOM 608 N THR A 39 -15.980 5.738 -3.556 1.00 12.00 N ATOM 609 CA THR A 39 -15.147 5.263 -4.699 1.00 12.00 C ATOM 610 C THR A 39 -14.280 4.077 -4.278 1.00 12.00 C ATOM 611 O THR A 39 -13.404 4.197 -3.439 1.00 12.00 O ATOM 612 CB THR A 39 -14.247 6.408 -5.176 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.045 7.555 -5.433 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.521 5.994 -6.456 1.00 12.00 C ATOM 0 H THR A 39 -15.604 6.548 -3.063 1.00 12.00 H new ATOM 0 HA THR A 39 -15.806 4.943 -5.506 1.00 12.00 H new ATOM 0 HB THR A 39 -13.512 6.638 -4.405 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.473 8.290 -5.737 1.00 12.00 H new ATOM 0 HG21 THR A 39 -12.882 6.811 -6.792 1.00 12.00 H new ATOM 0 HG22 THR A 39 -12.910 5.113 -6.259 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.252 5.763 -7.231 1.00 12.00 H new ATOM 622 N PHE A 40 -14.527 2.939 -4.881 1.00 12.00 N ATOM 623 CA PHE A 40 -13.746 1.696 -4.581 1.00 12.00 C ATOM 624 C PHE A 40 -12.813 1.415 -5.767 1.00 12.00 C ATOM 625 O PHE A 40 -12.996 1.989 -6.827 1.00 12.00 O ATOM 626 CB PHE A 40 -14.744 0.545 -4.424 1.00 12.00 C ATOM 627 CG PHE A 40 -15.712 0.860 -3.307 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.231 1.197 -2.033 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.091 0.816 -3.543 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.128 1.491 -1.002 1.00 12.00 C ATOM 631 CE2 PHE A 40 -17.989 1.109 -2.510 1.00 12.00 C ATOM 632 CZ PHE A 40 -17.507 1.447 -1.240 1.00 12.00 C ATOM 0 H PHE A 40 -15.255 2.817 -5.585 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.155 1.806 -3.671 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.287 0.392 -5.357 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.214 -0.382 -4.208 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.167 1.229 -1.849 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.463 0.556 -4.523 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -15.757 1.752 -0.022 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.053 1.074 -2.693 1.00 12.00 H new ATOM 0 HZ PHE A 40 -18.200 1.674 -0.443 1.00 12.00 H new ATOM 642 N ILE A 41 -11.823 0.544 -5.616 1.00 12.00 N ATOM 643 CA ILE A 41 -10.909 0.243 -6.765 1.00 12.00 C ATOM 644 C ILE A 41 -10.893 -1.269 -6.990 1.00 12.00 C ATOM 645 O ILE A 41 -10.600 -2.031 -6.082 1.00 12.00 O ATOM 646 CB ILE A 41 -9.498 0.748 -6.460 1.00 12.00 C ATOM 647 CG1 ILE A 41 -9.550 2.236 -6.066 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.610 0.570 -7.696 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.130 3.081 -7.209 1.00 12.00 C ATOM 0 H ILE A 41 -11.618 0.039 -4.754 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.264 0.746 -7.664 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.082 0.174 -5.632 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -10.160 2.359 -5.171 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -8.548 2.587 -5.820 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.605 0.930 -7.477 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.567 -0.486 -7.964 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.026 1.139 -8.528 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.158 4.129 -6.909 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -9.504 2.973 -8.095 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -11.141 2.742 -7.436 1.00 12.00 H new ATOM 661 N ILE A 42 -11.213 -1.698 -8.193 1.00 12.00 N ATOM 662 CA ILE A 42 -11.231 -3.168 -8.505 1.00 12.00 C ATOM 663 C ILE A 42 -9.988 -3.510 -9.326 1.00 12.00 C ATOM 664 O ILE A 42 -9.865 -3.122 -10.475 1.00 12.00 O ATOM 665 CB ILE A 42 -12.514 -3.543 -9.276 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.518 -5.052 -9.565 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.596 -2.780 -10.603 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.949 -5.595 -9.497 1.00 12.00 C ATOM 0 H ILE A 42 -11.463 -1.091 -8.974 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.224 -3.740 -7.577 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.374 -3.275 -8.662 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -12.094 -5.243 -10.551 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.889 -5.571 -8.842 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.509 -3.061 -11.128 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.606 -1.708 -10.406 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.732 -3.028 -11.219 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -13.942 -6.665 -9.703 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.358 -5.420 -8.502 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.567 -5.087 -10.238 1.00 12.00 H new ATOM 680 N SER A 43 -9.068 -4.230 -8.723 1.00 12.00 N ATOM 681 CA SER A 43 -7.801 -4.617 -9.423 1.00 12.00 C ATOM 682 C SER A 43 -6.917 -5.407 -8.456 1.00 12.00 C ATOM 683 O SER A 43 -7.069 -5.301 -7.250 1.00 12.00 O ATOM 684 CB SER A 43 -7.053 -3.356 -9.872 1.00 12.00 C ATOM 685 OG SER A 43 -5.844 -3.734 -10.518 1.00 12.00 O ATOM 0 H SER A 43 -9.144 -4.569 -7.764 1.00 12.00 H new ATOM 0 HA SER A 43 -8.039 -5.227 -10.295 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.675 -2.772 -10.551 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.837 -2.722 -9.012 1.00 12.00 H new ATOM 0 HG SER A 43 -5.363 -2.931 -10.808 1.00 12.00 H new ATOM 691 N SER A 44 -5.995 -6.194 -8.979 1.00 12.00 N ATOM 692 CA SER A 44 -5.080 -7.006 -8.104 1.00 12.00 C ATOM 693 C SER A 44 -4.368 -6.074 -7.100 1.00 12.00 C ATOM 694 O SER A 44 -3.672 -5.142 -7.468 1.00 12.00 O ATOM 695 CB SER A 44 -4.068 -7.788 -8.964 1.00 12.00 C ATOM 696 OG SER A 44 -3.915 -7.171 -10.239 1.00 12.00 O ATOM 0 H SER A 44 -5.838 -6.308 -9.980 1.00 12.00 H new ATOM 0 HA SER A 44 -5.664 -7.735 -7.543 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.105 -7.829 -8.455 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.406 -8.817 -9.089 1.00 12.00 H new ATOM 0 HG SER A 44 -3.396 -7.759 -10.827 1.00 12.00 H new ATOM 702 N ALA A 45 -4.603 -6.322 -5.830 1.00 12.00 N ATOM 703 CA ALA A 45 -4.038 -5.485 -4.717 1.00 12.00 C ATOM 704 C ALA A 45 -2.553 -5.154 -4.900 1.00 12.00 C ATOM 705 O ALA A 45 -2.181 -3.993 -4.933 1.00 12.00 O ATOM 706 CB ALA A 45 -4.208 -6.242 -3.398 1.00 12.00 C ATOM 0 H ALA A 45 -5.183 -7.097 -5.509 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.583 -4.541 -4.719 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.802 -5.645 -2.581 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -5.267 -6.429 -3.219 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.676 -7.192 -3.453 1.00 12.00 H new ATOM 712 N THR A 46 -1.706 -6.157 -4.954 1.00 12.00 N ATOM 713 CA THR A 46 -0.229 -5.911 -5.068 1.00 12.00 C ATOM 714 C THR A 46 0.107 -5.128 -6.343 1.00 12.00 C ATOM 715 O THR A 46 1.110 -4.435 -6.386 1.00 12.00 O ATOM 716 CB THR A 46 0.516 -7.244 -5.049 1.00 12.00 C ATOM 717 OG1 THR A 46 1.908 -7.015 -5.234 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.012 -8.146 -6.168 1.00 12.00 C ATOM 0 H THR A 46 -1.975 -7.140 -4.924 1.00 12.00 H new ATOM 0 HA THR A 46 0.088 -5.308 -4.217 1.00 12.00 H new ATOM 0 HB THR A 46 0.356 -7.733 -4.088 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.385 -7.871 -5.220 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.522 -9.096 -6.152 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.077 -8.325 -6.019 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.143 -7.659 -7.131 1.00 12.00 H new ATOM 726 N THR A 47 -0.727 -5.208 -7.362 1.00 12.00 N ATOM 727 CA THR A 47 -0.464 -4.436 -8.626 1.00 12.00 C ATOM 728 C THR A 47 -0.498 -2.954 -8.267 1.00 12.00 C ATOM 729 O THR A 47 0.312 -2.169 -8.739 1.00 12.00 O ATOM 730 CB THR A 47 -1.518 -4.772 -9.690 1.00 12.00 C ATOM 731 OG1 THR A 47 -1.791 -6.162 -9.641 1.00 12.00 O ATOM 732 CG2 THR A 47 -0.978 -4.413 -11.077 1.00 12.00 C ATOM 0 H THR A 47 -1.576 -5.773 -7.372 1.00 12.00 H new ATOM 0 HA THR A 47 0.507 -4.699 -9.046 1.00 12.00 H new ATOM 0 HB THR A 47 -2.429 -4.205 -9.498 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.593 -6.357 -10.169 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.727 -4.652 -11.832 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.752 -3.347 -11.115 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.070 -4.984 -11.273 1.00 12.00 H new ATOM 740 N VAL A 48 -1.397 -2.591 -7.375 1.00 12.00 N ATOM 741 CA VAL A 48 -1.472 -1.180 -6.896 1.00 12.00 C ATOM 742 C VAL A 48 -0.212 -0.918 -6.061 1.00 12.00 C ATOM 743 O VAL A 48 0.347 0.165 -6.079 1.00 12.00 O ATOM 744 CB VAL A 48 -2.716 -0.983 -6.014 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.806 0.481 -5.556 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.969 -1.354 -6.814 1.00 12.00 C ATOM 0 H VAL A 48 -2.083 -3.221 -6.960 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.538 -0.494 -7.741 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.642 -1.624 -5.136 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.690 0.613 -4.932 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.915 0.738 -4.983 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.877 1.131 -6.428 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.853 -1.215 -6.191 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -4.041 -0.715 -7.694 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.906 -2.396 -7.127 1.00 12.00 H new ATOM 756 N LYS A 49 0.234 -1.930 -5.339 1.00 12.00 N ATOM 757 CA LYS A 49 1.462 -1.804 -4.497 1.00 12.00 C ATOM 758 C LYS A 49 2.679 -1.545 -5.397 1.00 12.00 C ATOM 759 O LYS A 49 3.690 -1.037 -4.938 1.00 12.00 O ATOM 760 CB LYS A 49 1.678 -3.100 -3.708 1.00 12.00 C ATOM 761 CG LYS A 49 2.705 -2.856 -2.599 1.00 12.00 C ATOM 762 CD LYS A 49 3.103 -4.192 -1.957 1.00 12.00 C ATOM 763 CE LYS A 49 4.446 -4.660 -2.530 1.00 12.00 C ATOM 764 NZ LYS A 49 4.710 -6.060 -2.096 1.00 12.00 N ATOM 0 H LYS A 49 -0.212 -2.846 -5.302 1.00 12.00 H new ATOM 0 HA LYS A 49 1.340 -0.972 -3.803 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.735 -3.438 -3.278 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.026 -3.890 -4.373 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.586 -2.362 -3.009 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.288 -2.189 -1.844 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.178 -4.079 -0.875 1.00 12.00 H new ATOM 0 HD3 LYS A 49 2.334 -4.941 -2.147 1.00 12.00 H new ATOM 0 HE2 LYS A 49 4.429 -4.602 -3.618 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.247 -4.005 -2.189 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 5.621 -6.378 -2.484 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 4.743 -6.101 -1.057 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 3.950 -6.680 -2.443 1.00 12.00 H new ATOM 778 N ALA A 50 2.587 -1.896 -6.673 1.00 12.00 N ATOM 779 CA ALA A 50 3.730 -1.679 -7.613 1.00 12.00 C ATOM 780 C ALA A 50 3.736 -0.222 -8.094 1.00 12.00 C ATOM 781 O ALA A 50 4.794 0.365 -8.260 1.00 12.00 O ATOM 782 CB ALA A 50 3.606 -2.635 -8.812 1.00 12.00 C ATOM 0 H ALA A 50 1.762 -2.324 -7.094 1.00 12.00 H new ATOM 0 HA ALA A 50 4.667 -1.883 -7.095 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.441 -2.473 -9.494 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.621 -3.666 -8.458 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.669 -2.444 -9.334 1.00 12.00 H new ATOM 788 N ILE A 51 2.569 0.362 -8.323 1.00 12.00 N ATOM 789 CA ILE A 51 2.507 1.784 -8.801 1.00 12.00 C ATOM 790 C ILE A 51 2.994 2.741 -7.696 1.00 12.00 C ATOM 791 O ILE A 51 3.453 3.836 -7.983 1.00 12.00 O ATOM 792 CB ILE A 51 1.065 2.128 -9.218 1.00 12.00 C ATOM 793 CG1 ILE A 51 1.028 3.531 -9.832 1.00 12.00 C ATOM 794 CG2 ILE A 51 0.115 2.074 -8.012 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.177 3.433 -11.352 1.00 12.00 C ATOM 0 H ILE A 51 1.663 -0.089 -8.198 1.00 12.00 H new ATOM 0 HA ILE A 51 3.161 1.900 -9.665 1.00 12.00 H new ATOM 0 HB ILE A 51 0.736 1.392 -9.952 1.00 12.00 H new ATOM 0 HG12 ILE A 51 0.089 4.024 -9.580 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.830 4.141 -9.417 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -0.897 2.321 -8.334 1.00 12.00 H new ATOM 0 HG22 ILE A 51 0.125 1.071 -7.585 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.441 2.792 -7.259 1.00 12.00 H new ATOM 0 HD11 ILE A 51 1.150 4.433 -11.785 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.127 2.958 -11.595 1.00 12.00 H new ATOM 0 HD13 ILE A 51 0.360 2.839 -11.760 1.00 12.00 H new ATOM 807 N CYS A 52 2.897 2.334 -6.445 1.00 12.00 N ATOM 808 CA CYS A 52 3.347 3.207 -5.315 1.00 12.00 C ATOM 809 C CYS A 52 4.749 2.777 -4.849 1.00 12.00 C ATOM 810 O CYS A 52 5.144 3.057 -3.727 1.00 12.00 O ATOM 811 CB CYS A 52 2.349 3.078 -4.151 1.00 12.00 C ATOM 812 SG CYS A 52 1.948 4.712 -3.469 1.00 12.00 S ATOM 0 H CYS A 52 2.522 1.428 -6.162 1.00 12.00 H new ATOM 0 HA CYS A 52 3.389 4.244 -5.649 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.439 2.589 -4.498 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.772 2.446 -3.370 1.00 12.00 H new ATOM 817 N THR A 53 5.499 2.104 -5.704 1.00 12.00 N ATOM 818 CA THR A 53 6.879 1.649 -5.327 1.00 12.00 C ATOM 819 C THR A 53 7.888 2.758 -5.635 1.00 12.00 C ATOM 820 O THR A 53 8.091 3.111 -6.785 1.00 12.00 O ATOM 821 CB THR A 53 7.248 0.394 -6.126 1.00 12.00 C ATOM 822 OG1 THR A 53 6.206 -0.564 -6.012 1.00 12.00 O ATOM 823 CG2 THR A 53 8.548 -0.197 -5.575 1.00 12.00 C ATOM 0 H THR A 53 5.209 1.852 -6.649 1.00 12.00 H new ATOM 0 HA THR A 53 6.900 1.420 -4.261 1.00 12.00 H new ATOM 0 HB THR A 53 7.385 0.658 -7.175 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.543 -0.250 -5.363 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.811 -1.090 -6.143 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.348 0.538 -5.663 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.412 -0.461 -4.526 1.00 12.00 H new ATOM 831 N GLY A 54 8.518 3.304 -4.611 1.00 12.00 N ATOM 832 CA GLY A 54 9.526 4.395 -4.817 1.00 12.00 C ATOM 833 C GLY A 54 10.420 4.526 -3.577 1.00 12.00 C ATOM 834 O GLY A 54 11.622 4.333 -3.656 1.00 12.00 O ATOM 0 H GLY A 54 8.373 3.036 -3.638 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.136 4.177 -5.694 1.00 12.00 H new ATOM 0 HA3 GLY A 54 9.017 5.339 -5.010 1.00 12.00 H new ATOM 838 N VAL A 55 9.837 4.861 -2.442 1.00 12.00 N ATOM 839 CA VAL A 55 10.629 5.020 -1.180 1.00 12.00 C ATOM 840 C VAL A 55 9.653 4.955 0.025 1.00 12.00 C ATOM 841 O VAL A 55 8.518 4.531 -0.138 1.00 12.00 O ATOM 842 CB VAL A 55 11.411 6.357 -1.276 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.527 7.561 -0.928 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.634 6.321 -0.348 1.00 12.00 C ATOM 0 H VAL A 55 8.837 5.032 -2.340 1.00 12.00 H new ATOM 0 HA VAL A 55 11.359 4.223 -1.037 1.00 12.00 H new ATOM 0 HB VAL A 55 11.739 6.473 -2.309 1.00 12.00 H new ATOM 0 HG11 VAL A 55 11.112 8.477 -1.007 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.686 7.607 -1.620 1.00 12.00 H new ATOM 0 HG13 VAL A 55 10.154 7.456 0.091 1.00 12.00 H new ATOM 0 HG21 VAL A 55 13.176 7.264 -0.423 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.306 6.172 0.681 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.290 5.502 -0.642 1.00 12.00 H new ATOM 854 N ILE A 56 10.074 5.348 1.222 1.00 12.00 N ATOM 855 CA ILE A 56 9.156 5.284 2.420 1.00 12.00 C ATOM 856 C ILE A 56 8.371 6.608 2.580 1.00 12.00 C ATOM 857 O ILE A 56 8.005 6.992 3.679 1.00 12.00 O ATOM 858 CB ILE A 56 9.993 5.019 3.679 1.00 12.00 C ATOM 859 CG1 ILE A 56 11.079 6.090 3.804 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.645 3.638 3.580 1.00 12.00 C ATOM 861 CD1 ILE A 56 11.314 6.418 5.282 1.00 12.00 C ATOM 0 H ILE A 56 11.009 5.708 1.416 1.00 12.00 H new ATOM 0 HA ILE A 56 8.438 4.477 2.275 1.00 12.00 H new ATOM 0 HB ILE A 56 9.348 5.052 4.557 1.00 12.00 H new ATOM 0 HG12 ILE A 56 12.004 5.738 3.348 1.00 12.00 H new ATOM 0 HG13 ILE A 56 10.780 6.989 3.265 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.239 3.451 4.475 1.00 12.00 H new ATOM 0 HG22 ILE A 56 9.871 2.876 3.493 1.00 12.00 H new ATOM 0 HG23 ILE A 56 11.290 3.602 2.702 1.00 12.00 H new ATOM 0 HD11 ILE A 56 12.088 7.181 5.367 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.389 6.789 5.724 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.632 5.518 5.808 1.00 12.00 H new ATOM 873 N ASN A 57 8.109 7.285 1.482 1.00 12.00 N ATOM 874 CA ASN A 57 7.350 8.588 1.495 1.00 12.00 C ATOM 875 C ASN A 57 7.364 9.137 0.069 1.00 12.00 C ATOM 876 O ASN A 57 8.431 9.381 -0.477 1.00 12.00 O ATOM 877 CB ASN A 57 8.051 9.594 2.410 1.00 12.00 C ATOM 878 CG ASN A 57 7.064 10.686 2.827 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.789 11.594 2.068 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.518 10.636 4.012 1.00 12.00 N ATOM 0 H ASN A 57 8.397 6.982 0.552 1.00 12.00 H new ATOM 0 HA ASN A 57 6.334 8.428 1.855 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.442 9.087 3.292 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.903 10.038 1.894 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.860 11.360 4.301 1.00 12.00 H new ATOM 0 HD22 ASN A 57 6.750 9.873 4.648 1.00 12.00 H new ATOM 887 N MET A 58 6.211 9.303 -0.552 1.00 12.00 N ATOM 888 CA MET A 58 6.196 9.804 -1.967 1.00 12.00 C ATOM 889 C MET A 58 4.808 10.286 -2.404 1.00 12.00 C ATOM 890 O MET A 58 3.830 10.185 -1.683 1.00 12.00 O ATOM 891 CB MET A 58 6.625 8.651 -2.882 1.00 12.00 C ATOM 892 CG MET A 58 7.456 9.187 -4.051 1.00 12.00 C ATOM 893 SD MET A 58 9.046 8.326 -4.095 1.00 12.00 S ATOM 894 CE MET A 58 9.968 9.594 -4.994 1.00 12.00 C ATOM 0 H MET A 58 5.295 9.116 -0.145 1.00 12.00 H new ATOM 0 HA MET A 58 6.875 10.654 -2.034 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.207 7.924 -2.315 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.745 8.130 -3.260 1.00 12.00 H new ATOM 0 HG2 MET A 58 6.923 9.039 -4.990 1.00 12.00 H new ATOM 0 HG3 MET A 58 7.613 10.260 -3.939 1.00 12.00 H new ATOM 0 HE1 MET A 58 10.997 9.264 -5.135 1.00 12.00 H new ATOM 0 HE2 MET A 58 9.504 9.761 -5.966 1.00 12.00 H new ATOM 0 HE3 MET A 58 9.960 10.523 -4.424 1.00 12.00 H new ATOM 904 N ASN A 59 4.751 10.778 -3.618 1.00 12.00 N ATOM 905 CA ASN A 59 3.478 11.261 -4.241 1.00 12.00 C ATOM 906 C ASN A 59 3.504 10.781 -5.696 1.00 12.00 C ATOM 907 O ASN A 59 4.338 11.226 -6.469 1.00 12.00 O ATOM 908 CB ASN A 59 3.416 12.796 -4.199 1.00 12.00 C ATOM 909 CG ASN A 59 4.765 13.387 -4.627 1.00 12.00 C ATOM 910 OD1 ASN A 59 5.674 13.494 -3.829 1.00 12.00 O ATOM 911 ND2 ASN A 59 4.932 13.771 -5.862 1.00 12.00 N ATOM 0 H ASN A 59 5.566 10.868 -4.225 1.00 12.00 H new ATOM 0 HA ASN A 59 2.607 10.879 -3.708 1.00 12.00 H new ATOM 0 HB2 ASN A 59 2.627 13.155 -4.859 1.00 12.00 H new ATOM 0 HB3 ASN A 59 3.166 13.131 -3.192 1.00 12.00 H new ATOM 0 HD21 ASN A 59 5.827 14.161 -6.158 1.00 12.00 H new ATOM 0 HD22 ASN A 59 4.168 13.681 -6.532 1.00 12.00 H new ATOM 918 N VAL A 60 2.639 9.851 -6.063 1.00 12.00 N ATOM 919 CA VAL A 60 2.661 9.307 -7.457 1.00 12.00 C ATOM 920 C VAL A 60 1.254 9.323 -8.057 1.00 12.00 C ATOM 921 O VAL A 60 0.273 9.469 -7.347 1.00 12.00 O ATOM 922 CB VAL A 60 3.214 7.873 -7.403 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.317 7.004 -6.520 1.00 12.00 C ATOM 924 CG2 VAL A 60 3.273 7.276 -8.811 1.00 12.00 C ATOM 0 H VAL A 60 1.924 9.451 -5.455 1.00 12.00 H new ATOM 0 HA VAL A 60 3.297 9.924 -8.092 1.00 12.00 H new ATOM 0 HB VAL A 60 4.220 7.902 -6.984 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.714 5.989 -6.485 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.289 7.417 -5.512 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.308 6.985 -6.933 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.666 6.261 -8.760 1.00 12.00 H new ATOM 0 HG22 VAL A 60 2.271 7.256 -9.240 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.924 7.886 -9.438 1.00 12.00 H new ATOM 934 N LEU A 61 1.166 9.185 -9.364 1.00 12.00 N ATOM 935 CA LEU A 61 -0.158 9.199 -10.056 1.00 12.00 C ATOM 936 C LEU A 61 -0.412 7.857 -10.749 1.00 12.00 C ATOM 937 O LEU A 61 0.273 7.510 -11.698 1.00 12.00 O ATOM 938 CB LEU A 61 -0.164 10.311 -11.108 1.00 12.00 C ATOM 939 CG LEU A 61 -1.605 10.711 -11.418 1.00 12.00 C ATOM 940 CD1 LEU A 61 -2.126 11.644 -10.323 1.00 12.00 C ATOM 941 CD2 LEU A 61 -1.651 11.432 -12.767 1.00 12.00 C ATOM 0 H LEU A 61 1.968 9.062 -9.983 1.00 12.00 H new ATOM 0 HA LEU A 61 -0.940 9.373 -9.317 1.00 12.00 H new ATOM 0 HB2 LEU A 61 0.394 11.174 -10.744 1.00 12.00 H new ATOM 0 HB3 LEU A 61 0.333 9.970 -12.016 1.00 12.00 H new ATOM 0 HG LEU A 61 -2.229 9.818 -11.458 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -3.154 11.928 -10.546 1.00 12.00 H new ATOM 0 HD12 LEU A 61 -2.092 11.132 -9.362 1.00 12.00 H new ATOM 0 HD13 LEU A 61 -1.504 12.538 -10.280 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -2.678 11.719 -12.991 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -1.026 12.324 -12.724 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -1.281 10.767 -13.548 1.00 12.00 H new ATOM 953 N SER A 62 -1.409 7.117 -10.295 1.00 12.00 N ATOM 954 CA SER A 62 -1.749 5.802 -10.934 1.00 12.00 C ATOM 955 C SER A 62 -2.100 6.058 -12.410 1.00 12.00 C ATOM 956 O SER A 62 -3.237 6.375 -12.741 1.00 12.00 O ATOM 957 CB SER A 62 -2.946 5.176 -10.208 1.00 12.00 C ATOM 958 OG SER A 62 -2.777 5.330 -8.804 1.00 12.00 O ATOM 0 H SER A 62 -2.001 7.373 -9.505 1.00 12.00 H new ATOM 0 HA SER A 62 -0.904 5.117 -10.869 1.00 12.00 H new ATOM 0 HB2 SER A 62 -3.871 5.654 -10.529 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.028 4.119 -10.462 1.00 12.00 H new ATOM 0 HG SER A 62 -3.541 4.932 -8.337 1.00 12.00 H new ATOM 964 N THR A 63 -1.116 5.950 -13.287 1.00 12.00 N ATOM 965 CA THR A 63 -1.340 6.199 -14.748 1.00 12.00 C ATOM 966 C THR A 63 -1.904 4.937 -15.408 1.00 12.00 C ATOM 967 O THR A 63 -2.258 3.986 -14.729 1.00 12.00 O ATOM 968 CB THR A 63 -0.007 6.587 -15.416 1.00 12.00 C ATOM 969 OG1 THR A 63 1.065 5.851 -14.827 1.00 12.00 O ATOM 970 CG2 THR A 63 0.234 8.094 -15.248 1.00 12.00 C ATOM 0 H THR A 63 -0.159 5.697 -13.043 1.00 12.00 H new ATOM 0 HA THR A 63 -2.054 7.014 -14.870 1.00 12.00 H new ATOM 0 HB THR A 63 -0.054 6.349 -16.479 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.909 6.101 -15.258 1.00 12.00 H new ATOM 0 HG21 THR A 63 1.177 8.367 -15.721 1.00 12.00 H new ATOM 0 HG22 THR A 63 -0.580 8.647 -15.716 1.00 12.00 H new ATOM 0 HG23 THR A 63 0.276 8.340 -14.187 1.00 12.00 H new ATOM 978 N THR A 64 -1.999 4.934 -16.725 1.00 12.00 N ATOM 979 CA THR A 64 -2.546 3.753 -17.459 1.00 12.00 C ATOM 980 C THR A 64 -4.012 3.553 -17.033 1.00 12.00 C ATOM 981 O THR A 64 -4.871 4.287 -17.496 1.00 12.00 O ATOM 982 CB THR A 64 -1.677 2.521 -17.157 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.350 2.771 -17.601 1.00 12.00 O ATOM 984 CG2 THR A 64 -2.230 1.298 -17.885 1.00 12.00 C ATOM 0 H THR A 64 -1.716 5.711 -17.322 1.00 12.00 H new ATOM 0 HA THR A 64 -2.523 3.910 -18.537 1.00 12.00 H new ATOM 0 HB THR A 64 -1.684 2.329 -16.084 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.211 1.991 -17.410 1.00 12.00 H new ATOM 0 HG21 THR A 64 -1.607 0.431 -17.664 1.00 12.00 H new ATOM 0 HG22 THR A 64 -3.250 1.107 -17.552 1.00 12.00 H new ATOM 0 HG23 THR A 64 -2.228 1.482 -18.959 1.00 12.00 H new ATOM 992 N ARG A 65 -4.313 2.603 -16.153 1.00 12.00 N ATOM 993 CA ARG A 65 -5.733 2.405 -15.709 1.00 12.00 C ATOM 994 C ARG A 65 -5.834 1.252 -14.701 1.00 12.00 C ATOM 995 O ARG A 65 -5.736 0.090 -15.063 1.00 12.00 O ATOM 996 CB ARG A 65 -6.624 2.095 -16.924 1.00 12.00 C ATOM 997 CG ARG A 65 -6.153 0.818 -17.628 1.00 12.00 C ATOM 998 CD ARG A 65 -6.434 0.929 -19.129 1.00 12.00 C ATOM 999 NE ARG A 65 -6.199 -0.390 -19.783 1.00 12.00 N ATOM 1000 CZ ARG A 65 -6.517 -0.558 -21.038 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -7.728 -0.918 -21.364 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -5.622 -0.366 -21.967 1.00 12.00 N ATOM 0 H ARG A 65 -3.636 1.967 -15.732 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.070 3.324 -15.229 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.659 1.978 -16.602 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.600 2.932 -17.622 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.087 0.668 -17.457 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.668 -0.049 -17.214 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -7.463 1.249 -19.293 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -5.789 1.687 -19.574 1.00 12.00 H new ATOM 0 HE ARG A 65 -5.791 -1.159 -19.251 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -8.428 -1.069 -20.638 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -7.975 -1.049 -22.345 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -4.675 -0.085 -21.713 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -5.869 -0.497 -22.948 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.059 1.573 -13.444 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.209 0.502 -12.396 1.00 12.00 C ATOM 1018 C PHE A 66 -7.719 0.220 -12.194 1.00 12.00 C ATOM 1019 O PHE A 66 -8.186 0.075 -11.081 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.567 0.974 -11.075 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.059 0.825 -11.151 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.448 -0.393 -10.801 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.266 1.902 -11.585 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.057 -0.529 -10.887 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -1.876 1.757 -11.672 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.274 0.544 -11.324 1.00 12.00 C ATOM 0 H PHE A 66 -6.145 2.529 -13.098 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.707 -0.412 -12.714 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -5.829 2.015 -10.885 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -5.957 0.390 -10.242 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.052 -1.223 -10.466 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -3.729 2.841 -11.851 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.588 -1.463 -10.616 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.268 2.584 -12.009 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.202 0.435 -11.393 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.463 0.129 -13.297 1.00 12.00 N ATOM 1037 CA GLN A 67 -9.958 -0.152 -13.297 1.00 12.00 C ATOM 1038 C GLN A 67 -10.660 0.208 -11.973 1.00 12.00 C ATOM 1039 O GLN A 67 -10.540 -0.517 -10.996 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.178 -1.638 -13.586 1.00 12.00 C ATOM 1041 CG GLN A 67 -9.906 -1.924 -15.072 1.00 12.00 C ATOM 1042 CD GLN A 67 -11.070 -2.716 -15.674 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.577 -3.633 -15.058 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -11.516 -2.399 -16.858 1.00 12.00 N ATOM 0 H GLN A 67 -8.075 0.243 -14.233 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.398 0.483 -14.066 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.517 -2.241 -12.963 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.200 -1.920 -13.333 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -9.774 -0.987 -15.613 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -8.979 -2.487 -15.179 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -11.090 -1.629 -17.374 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -12.291 -2.921 -17.268 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.405 1.309 -11.936 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.109 1.693 -10.670 1.00 12.00 C ATOM 1055 C LEU A 68 -13.578 1.250 -10.682 1.00 12.00 C ATOM 1056 O LEU A 68 -14.216 1.147 -11.720 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.051 3.219 -10.426 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.238 4.046 -11.717 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.489 3.606 -12.479 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.409 5.518 -11.327 1.00 12.00 C ATOM 0 H LEU A 68 -11.548 1.943 -12.722 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.586 1.180 -9.863 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.824 3.496 -9.709 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.092 3.473 -9.975 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.367 3.898 -12.355 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.594 4.206 -13.383 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.399 2.554 -12.750 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.367 3.744 -11.848 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.543 6.119 -12.226 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.284 5.625 -10.685 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.523 5.858 -10.792 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.105 1.027 -9.503 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.542 0.642 -9.332 1.00 12.00 C ATOM 1074 C ASN A 69 -16.170 1.750 -8.487 1.00 12.00 C ATOM 1075 O ASN A 69 -15.995 1.776 -7.279 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.657 -0.695 -8.590 1.00 12.00 C ATOM 1077 CG ASN A 69 -16.996 -1.350 -8.932 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.331 -1.506 -10.090 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -17.780 -1.744 -7.967 1.00 12.00 N ATOM 0 H ASN A 69 -13.585 1.098 -8.628 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.037 0.527 -10.296 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -14.835 -1.353 -8.873 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.582 -0.535 -7.514 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.675 -2.183 -8.184 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -17.498 -1.613 -6.995 1.00 12.00 H new ATOM 1086 N THR A 70 -16.840 2.696 -9.111 1.00 12.00 N ATOM 1087 CA THR A 70 -17.412 3.850 -8.338 1.00 12.00 C ATOM 1088 C THR A 70 -18.891 3.657 -8.028 1.00 12.00 C ATOM 1089 O THR A 70 -19.720 3.536 -8.915 1.00 12.00 O ATOM 1090 CB THR A 70 -17.249 5.136 -9.154 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.908 5.235 -9.613 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.581 6.340 -8.274 1.00 12.00 C ATOM 0 H THR A 70 -17.014 2.719 -10.116 1.00 12.00 H new ATOM 0 HA THR A 70 -16.871 3.912 -7.394 1.00 12.00 H new ATOM 0 HB THR A 70 -17.924 5.116 -10.009 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.801 6.056 -10.137 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.466 7.256 -8.853 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.609 6.260 -7.921 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.905 6.363 -7.419 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.211 3.706 -6.756 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.630 3.621 -6.303 1.00 12.00 C ATOM 1102 C CYS A 71 -20.950 5.019 -5.800 1.00 12.00 C ATOM 1103 O CYS A 71 -20.412 5.441 -4.794 1.00 12.00 O ATOM 1104 CB CYS A 71 -20.774 2.599 -5.164 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.254 0.961 -5.746 1.00 12.00 S ATOM 0 H CYS A 71 -18.532 3.803 -6.001 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.300 3.298 -7.099 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.167 2.902 -4.311 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -21.809 2.563 -4.823 1.00 12.00 H new ATOM 1110 N THR A 72 -21.762 5.761 -6.519 1.00 12.00 N ATOM 1111 CA THR A 72 -22.050 7.176 -6.108 1.00 12.00 C ATOM 1112 C THR A 72 -23.438 7.308 -5.478 1.00 12.00 C ATOM 1113 O THR A 72 -24.387 6.672 -5.905 1.00 12.00 O ATOM 1114 CB THR A 72 -21.957 8.087 -7.344 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.849 7.690 -8.145 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.771 9.541 -6.906 1.00 12.00 C ATOM 0 H THR A 72 -22.235 5.451 -7.368 1.00 12.00 H new ATOM 0 HA THR A 72 -21.314 7.473 -5.360 1.00 12.00 H new ATOM 0 HB THR A 72 -22.877 8.000 -7.922 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.791 8.269 -8.933 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.706 10.181 -7.786 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.620 9.849 -6.296 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.854 9.631 -6.323 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.551 8.154 -4.468 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.862 8.375 -3.783 1.00 12.00 C ATOM 1126 C ARG A 73 -25.794 9.155 -4.714 1.00 12.00 C ATOM 1127 O ARG A 73 -25.372 10.094 -5.369 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.640 9.179 -2.494 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.837 8.993 -1.548 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.320 10.357 -1.046 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.183 10.169 0.154 1.00 12.00 N ATOM 1132 CZ ARG A 73 -27.486 11.189 0.909 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -28.553 11.894 0.648 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -26.727 11.503 1.924 1.00 12.00 N ATOM 0 H ARG A 73 -22.778 8.702 -4.091 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.310 7.412 -3.537 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.724 8.851 -2.004 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.514 10.235 -2.731 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.646 8.479 -2.067 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -25.551 8.365 -0.704 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.466 10.988 -0.798 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -26.877 10.869 -1.831 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.538 9.241 0.386 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -29.147 11.647 -0.144 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -28.793 12.692 1.236 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -25.894 10.950 2.129 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -26.967 12.301 2.512 1.00 12.00 H new ATOM 1148 N THR A 74 -27.055 8.770 -4.773 1.00 12.00 N ATOM 1149 CA THR A 74 -28.039 9.479 -5.658 1.00 12.00 C ATOM 1150 C THR A 74 -29.311 9.809 -4.852 1.00 12.00 C ATOM 1151 O THR A 74 -29.392 10.866 -4.249 1.00 12.00 O ATOM 1152 CB THR A 74 -28.383 8.605 -6.879 1.00 12.00 C ATOM 1153 OG1 THR A 74 -28.275 7.228 -6.539 1.00 12.00 O ATOM 1154 CG2 THR A 74 -27.421 8.925 -8.027 1.00 12.00 C ATOM 0 H THR A 74 -27.443 7.991 -4.242 1.00 12.00 H new ATOM 0 HA THR A 74 -27.597 10.408 -6.018 1.00 12.00 H new ATOM 0 HB THR A 74 -29.406 8.817 -7.190 1.00 12.00 H new ATOM 0 HG1 THR A 74 -28.497 6.680 -7.320 1.00 12.00 H new ATOM 0 HG21 THR A 74 -27.666 8.306 -8.890 1.00 12.00 H new ATOM 0 HG22 THR A 74 -27.514 9.977 -8.297 1.00 12.00 H new ATOM 0 HG23 THR A 74 -26.398 8.720 -7.712 1.00 12.00 H new ATOM 1162 N SER A 75 -30.297 8.922 -4.836 1.00 12.00 N ATOM 1163 CA SER A 75 -31.564 9.190 -4.067 1.00 12.00 C ATOM 1164 C SER A 75 -32.436 7.928 -4.051 1.00 12.00 C ATOM 1165 O SER A 75 -32.476 7.186 -5.018 1.00 12.00 O ATOM 1166 CB SER A 75 -32.332 10.338 -4.737 1.00 12.00 C ATOM 1167 OG SER A 75 -32.262 11.495 -3.913 1.00 12.00 O ATOM 0 H SER A 75 -30.274 8.026 -5.324 1.00 12.00 H new ATOM 0 HA SER A 75 -31.315 9.467 -3.042 1.00 12.00 H new ATOM 0 HB2 SER A 75 -31.908 10.550 -5.718 1.00 12.00 H new ATOM 0 HB3 SER A 75 -33.372 10.052 -4.894 1.00 12.00 H new ATOM 0 HG SER A 75 -31.324 11.706 -3.725 1.00 12.00 H new ATOM 1173 N ILE A 76 -33.133 7.699 -2.957 1.00 12.00 N ATOM 1174 CA ILE A 76 -34.026 6.501 -2.841 1.00 12.00 C ATOM 1175 C ILE A 76 -34.833 6.599 -1.534 1.00 12.00 C ATOM 1176 O ILE A 76 -34.398 7.224 -0.581 1.00 12.00 O ATOM 1177 CB ILE A 76 -33.175 5.222 -2.876 1.00 12.00 C ATOM 1178 CG1 ILE A 76 -34.089 3.992 -2.892 1.00 12.00 C ATOM 1179 CG2 ILE A 76 -32.247 5.161 -1.658 1.00 12.00 C ATOM 1180 CD1 ILE A 76 -33.531 2.949 -3.866 1.00 12.00 C ATOM 0 H ILE A 76 -33.119 8.299 -2.133 1.00 12.00 H new ATOM 0 HA ILE A 76 -34.724 6.467 -3.677 1.00 12.00 H new ATOM 0 HB ILE A 76 -32.565 5.233 -3.779 1.00 12.00 H new ATOM 0 HG12 ILE A 76 -34.161 3.567 -1.891 1.00 12.00 H new ATOM 0 HG13 ILE A 76 -35.097 4.280 -3.190 1.00 12.00 H new ATOM 0 HG21 ILE A 76 -31.652 4.249 -1.699 1.00 12.00 H new ATOM 0 HG22 ILE A 76 -31.585 6.027 -1.661 1.00 12.00 H new ATOM 0 HG23 ILE A 76 -32.843 5.164 -0.746 1.00 12.00 H new ATOM 0 HD11 ILE A 76 -34.182 2.075 -3.876 1.00 12.00 H new ATOM 0 HD12 ILE A 76 -33.482 3.376 -4.868 1.00 12.00 H new ATOM 0 HD13 ILE A 76 -32.531 2.653 -3.548 1.00 12.00 H new ATOM 1192 N THR A 77 -36.015 6.016 -1.508 1.00 12.00 N ATOM 1193 CA THR A 77 -36.896 6.092 -0.288 1.00 12.00 C ATOM 1194 C THR A 77 -36.450 5.084 0.796 1.00 12.00 C ATOM 1195 O THR A 77 -36.148 5.500 1.900 1.00 12.00 O ATOM 1196 CB THR A 77 -38.379 5.826 -0.654 1.00 12.00 C ATOM 1197 OG1 THR A 77 -38.532 5.636 -2.058 1.00 12.00 O ATOM 1198 CG2 THR A 77 -39.238 7.018 -0.216 1.00 12.00 C ATOM 0 H THR A 77 -36.410 5.487 -2.285 1.00 12.00 H new ATOM 0 HA THR A 77 -36.800 7.102 0.110 1.00 12.00 H new ATOM 0 HB THR A 77 -38.700 4.920 -0.139 1.00 12.00 H new ATOM 0 HG1 THR A 77 -39.475 5.468 -2.265 1.00 12.00 H new ATOM 0 HG21 THR A 77 -40.280 6.830 -0.474 1.00 12.00 H new ATOM 0 HG22 THR A 77 -39.150 7.154 0.862 1.00 12.00 H new ATOM 0 HG23 THR A 77 -38.896 7.919 -0.724 1.00 12.00 H new ATOM 1206 N PRO A 78 -36.440 3.795 0.476 1.00 12.00 N ATOM 1207 CA PRO A 78 -36.061 2.744 1.452 1.00 12.00 C ATOM 1208 C PRO A 78 -34.563 2.785 1.784 1.00 12.00 C ATOM 1209 O PRO A 78 -33.827 3.612 1.276 1.00 12.00 O ATOM 1210 CB PRO A 78 -36.449 1.436 0.758 1.00 12.00 C ATOM 1211 CG PRO A 78 -36.510 1.749 -0.753 1.00 12.00 C ATOM 1212 CD PRO A 78 -36.786 3.260 -0.865 1.00 12.00 C ATOM 0 HA PRO A 78 -36.562 2.872 2.412 1.00 12.00 H new ATOM 0 HB2 PRO A 78 -35.717 0.655 0.964 1.00 12.00 H new ATOM 0 HB3 PRO A 78 -37.412 1.075 1.119 1.00 12.00 H new ATOM 0 HG2 PRO A 78 -35.573 1.487 -1.244 1.00 12.00 H new ATOM 0 HG3 PRO A 78 -37.297 1.172 -1.239 1.00 12.00 H new ATOM 0 HD2 PRO A 78 -36.179 3.719 -1.645 1.00 12.00 H new ATOM 0 HD3 PRO A 78 -37.828 3.457 -1.115 1.00 12.00 H new ATOM 1220 N ARG A 79 -34.134 1.898 2.660 1.00 12.00 N ATOM 1221 CA ARG A 79 -32.697 1.848 3.095 1.00 12.00 C ATOM 1222 C ARG A 79 -31.940 0.757 2.309 1.00 12.00 C ATOM 1223 O ARG A 79 -32.565 -0.018 1.608 1.00 12.00 O ATOM 1224 CB ARG A 79 -32.665 1.518 4.592 1.00 12.00 C ATOM 1225 CG ARG A 79 -32.414 2.796 5.396 1.00 12.00 C ATOM 1226 CD ARG A 79 -33.753 3.441 5.777 1.00 12.00 C ATOM 1227 NE ARG A 79 -33.773 3.715 7.242 1.00 12.00 N ATOM 1228 CZ ARG A 79 -34.244 2.820 8.066 1.00 12.00 C ATOM 1229 NH1 ARG A 79 -35.393 2.250 7.825 1.00 12.00 N ATOM 1230 NH2 ARG A 79 -33.564 2.495 9.131 1.00 12.00 N ATOM 0 H ARG A 79 -34.731 1.196 3.098 1.00 12.00 H new ATOM 0 HA ARG A 79 -32.217 2.807 2.904 1.00 12.00 H new ATOM 0 HB2 ARG A 79 -33.609 1.066 4.895 1.00 12.00 H new ATOM 0 HB3 ARG A 79 -31.882 0.788 4.797 1.00 12.00 H new ATOM 0 HG2 ARG A 79 -31.842 2.565 6.295 1.00 12.00 H new ATOM 0 HG3 ARG A 79 -31.817 3.494 4.809 1.00 12.00 H new ATOM 0 HD2 ARG A 79 -33.894 4.368 5.221 1.00 12.00 H new ATOM 0 HD3 ARG A 79 -34.577 2.780 5.508 1.00 12.00 H new ATOM 0 HE ARG A 79 -33.419 4.602 7.600 1.00 12.00 H new ATOM 0 HH11 ARG A 79 -35.924 2.504 6.992 1.00 12.00 H new ATOM 0 HH12 ARG A 79 -35.760 1.550 8.470 1.00 12.00 H new ATOM 0 HH21 ARG A 79 -32.666 2.941 9.318 1.00 12.00 H new ATOM 0 HH22 ARG A 79 -33.931 1.795 9.776 1.00 12.00 H new ATOM 1244 N PRO A 80 -30.609 0.720 2.440 1.00 12.00 N ATOM 1245 CA PRO A 80 -29.812 1.650 3.288 1.00 12.00 C ATOM 1246 C PRO A 80 -29.679 3.022 2.620 1.00 12.00 C ATOM 1247 O PRO A 80 -30.335 3.973 3.014 1.00 12.00 O ATOM 1248 CB PRO A 80 -28.448 0.957 3.405 1.00 12.00 C ATOM 1249 CG PRO A 80 -28.342 -0.014 2.209 1.00 12.00 C ATOM 1250 CD PRO A 80 -29.779 -0.277 1.721 1.00 12.00 C ATOM 0 HA PRO A 80 -30.272 1.838 4.258 1.00 12.00 H new ATOM 0 HB2 PRO A 80 -27.639 1.687 3.384 1.00 12.00 H new ATOM 0 HB3 PRO A 80 -28.367 0.419 4.349 1.00 12.00 H new ATOM 0 HG2 PRO A 80 -27.736 0.418 1.413 1.00 12.00 H new ATOM 0 HG3 PRO A 80 -27.859 -0.944 2.508 1.00 12.00 H new ATOM 0 HD2 PRO A 80 -29.859 -0.154 0.641 1.00 12.00 H new ATOM 0 HD3 PRO A 80 -30.095 -1.295 1.950 1.00 12.00 H new ATOM 1258 N CYS A 81 -28.835 3.122 1.615 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.642 4.419 0.900 1.00 12.00 C ATOM 1260 C CYS A 81 -28.658 4.156 -0.623 1.00 12.00 C ATOM 1261 O CYS A 81 -28.387 3.040 -1.033 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.298 5.027 1.312 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.562 6.254 2.619 1.00 12.00 S ATOM 0 H CYS A 81 -28.269 2.351 1.261 1.00 12.00 H new ATOM 0 HA CYS A 81 -29.441 5.114 1.157 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -26.626 4.244 1.664 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.820 5.495 0.451 1.00 12.00 H new ATOM 1268 N PRO A 82 -28.974 5.171 -1.429 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.022 5.015 -2.904 1.00 12.00 C ATOM 1270 C PRO A 82 -27.615 5.035 -3.499 1.00 12.00 C ATOM 1271 O PRO A 82 -26.898 6.000 -3.329 1.00 12.00 O ATOM 1272 CB PRO A 82 -29.788 6.249 -3.378 1.00 12.00 C ATOM 1273 CG PRO A 82 -29.632 7.312 -2.268 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.304 6.552 -0.972 1.00 12.00 C ATOM 0 HA PRO A 82 -29.482 4.073 -3.203 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.389 6.614 -4.324 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -30.839 6.013 -3.545 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -28.838 8.016 -2.515 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -30.548 7.892 -2.156 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.466 7.008 -0.445 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.151 6.552 -0.285 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.229 3.994 -4.215 1.00 12.00 N ATOM 1283 CA TYR A 83 -25.864 3.967 -4.848 1.00 12.00 C ATOM 1284 C TYR A 83 -25.911 3.285 -6.210 1.00 12.00 C ATOM 1285 O TYR A 83 -26.437 2.193 -6.356 1.00 12.00 O ATOM 1286 CB TYR A 83 -24.855 3.231 -3.957 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.258 4.202 -2.971 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.011 4.666 -1.886 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -22.950 4.659 -3.158 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.450 5.583 -0.990 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.394 5.577 -2.267 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.143 6.040 -1.180 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.594 6.946 -0.298 1.00 12.00 O ATOM 0 H TYR A 83 -27.800 3.166 -4.386 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.545 5.002 -4.971 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.347 2.415 -3.428 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.069 2.787 -4.568 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.023 4.317 -1.741 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.369 4.300 -3.994 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.028 5.938 -0.150 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.385 5.931 -2.416 1.00 12.00 H new ATOM 0 HH TYR A 83 -23.138 7.761 -0.285 1.00 12.00 H new ATOM 1303 N SER A 84 -25.328 3.928 -7.195 1.00 12.00 N ATOM 1304 CA SER A 84 -25.272 3.349 -8.583 1.00 12.00 C ATOM 1305 C SER A 84 -23.826 2.934 -8.852 1.00 12.00 C ATOM 1306 O SER A 84 -22.916 3.733 -8.698 1.00 12.00 O ATOM 1307 CB SER A 84 -25.705 4.399 -9.614 1.00 12.00 C ATOM 1308 OG SER A 84 -26.759 5.189 -9.079 1.00 12.00 O ATOM 0 H SER A 84 -24.882 4.840 -7.098 1.00 12.00 H new ATOM 0 HA SER A 84 -25.944 2.494 -8.662 1.00 12.00 H new ATOM 0 HB2 SER A 84 -24.859 5.034 -9.878 1.00 12.00 H new ATOM 0 HB3 SER A 84 -26.034 3.909 -10.530 1.00 12.00 H new ATOM 0 HG SER A 84 -27.032 5.860 -9.739 1.00 12.00 H new ATOM 1314 N SER A 85 -23.610 1.690 -9.224 1.00 12.00 N ATOM 1315 CA SER A 85 -22.221 1.199 -9.478 1.00 12.00 C ATOM 1316 C SER A 85 -21.883 1.289 -10.967 1.00 12.00 C ATOM 1317 O SER A 85 -22.710 1.007 -11.819 1.00 12.00 O ATOM 1318 CB SER A 85 -22.111 -0.257 -9.026 1.00 12.00 C ATOM 1319 OG SER A 85 -23.012 -1.052 -9.785 1.00 12.00 O ATOM 0 H SER A 85 -24.343 0.994 -9.362 1.00 12.00 H new ATOM 0 HA SER A 85 -21.521 1.821 -8.919 1.00 12.00 H new ATOM 0 HB2 SER A 85 -21.090 -0.615 -9.159 1.00 12.00 H new ATOM 0 HB3 SER A 85 -22.341 -0.339 -7.964 1.00 12.00 H new ATOM 0 HG SER A 85 -22.833 -2.001 -9.616 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.660 1.668 -11.268 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.206 1.777 -12.686 1.00 12.00 C ATOM 1327 C ARG A 86 -18.706 1.481 -12.740 1.00 12.00 C ATOM 1328 O ARG A 86 -17.994 1.731 -11.786 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.475 3.190 -13.211 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.728 3.138 -14.724 1.00 12.00 C ATOM 1331 CD ARG A 86 -20.014 4.304 -15.416 1.00 12.00 C ATOM 1332 NE ARG A 86 -19.340 3.812 -16.651 1.00 12.00 N ATOM 1333 CZ ARG A 86 -19.405 4.510 -17.750 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -18.666 5.575 -17.888 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -20.206 4.143 -18.711 1.00 12.00 N ATOM 0 H ARG A 86 -19.950 1.909 -10.576 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.750 1.065 -13.307 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.338 3.620 -12.702 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.624 3.837 -12.996 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -20.371 2.191 -15.128 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -21.798 3.186 -14.924 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -20.731 5.086 -15.667 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -19.282 4.748 -14.741 1.00 12.00 H new ATOM 0 HE ARG A 86 -18.828 2.930 -16.636 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -18.038 5.861 -17.137 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -18.716 6.122 -18.747 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -20.783 3.309 -18.603 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -20.256 4.690 -19.570 1.00 12.00 H new ATOM 1349 N THR A 87 -18.232 0.943 -13.844 1.00 12.00 N ATOM 1350 CA THR A 87 -16.770 0.611 -13.974 1.00 12.00 C ATOM 1351 C THR A 87 -16.150 1.452 -15.090 1.00 12.00 C ATOM 1352 O THR A 87 -16.813 1.781 -16.059 1.00 12.00 O ATOM 1353 CB THR A 87 -16.608 -0.881 -14.305 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.664 -1.303 -15.157 1.00 12.00 O ATOM 1355 CG2 THR A 87 -16.635 -1.697 -13.012 1.00 12.00 C ATOM 0 H THR A 87 -18.796 0.719 -14.664 1.00 12.00 H new ATOM 0 HA THR A 87 -16.265 0.830 -13.033 1.00 12.00 H new ATOM 0 HB THR A 87 -15.656 -1.035 -14.812 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.555 -2.254 -15.366 1.00 12.00 H new ATOM 0 HG21 THR A 87 -16.520 -2.755 -13.247 1.00 12.00 H new ATOM 0 HG22 THR A 87 -15.819 -1.379 -12.364 1.00 12.00 H new ATOM 0 HG23 THR A 87 -17.586 -1.540 -12.502 1.00 12.00 H new ATOM 1363 N GLU A 88 -14.883 1.800 -14.952 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.199 2.626 -16.001 1.00 12.00 C ATOM 1365 C GLU A 88 -12.684 2.649 -15.757 1.00 12.00 C ATOM 1366 O GLU A 88 -12.169 1.946 -14.906 1.00 12.00 O ATOM 1367 CB GLU A 88 -14.749 4.063 -15.953 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.274 4.480 -17.337 1.00 12.00 C ATOM 1369 CD GLU A 88 -14.323 5.500 -17.972 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -14.254 6.611 -17.471 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -13.682 5.154 -18.952 1.00 12.00 O ATOM 0 H GLU A 88 -14.298 1.545 -14.157 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.391 2.188 -16.981 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -15.551 4.128 -15.218 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -13.965 4.749 -15.632 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.364 3.604 -17.980 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.271 4.910 -17.243 1.00 12.00 H new ATOM 1378 N THR A 89 -11.985 3.467 -16.516 1.00 12.00 N ATOM 1379 CA THR A 89 -10.496 3.593 -16.385 1.00 12.00 C ATOM 1380 C THR A 89 -10.153 4.226 -15.039 1.00 12.00 C ATOM 1381 O THR A 89 -10.811 5.163 -14.612 1.00 12.00 O ATOM 1382 CB THR A 89 -9.979 4.496 -17.516 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.421 3.978 -18.762 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.449 4.541 -17.496 1.00 12.00 C ATOM 0 H THR A 89 -12.395 4.064 -17.235 1.00 12.00 H new ATOM 0 HA THR A 89 -10.033 2.608 -16.448 1.00 12.00 H new ATOM 0 HB THR A 89 -10.364 5.506 -17.375 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.096 4.550 -19.488 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.093 5.184 -18.301 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.109 4.937 -16.539 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.054 3.535 -17.633 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.131 3.722 -14.368 1.00 12.00 N ATOM 1393 CA ASN A 90 -8.751 4.301 -13.032 1.00 12.00 C ATOM 1394 C ASN A 90 -7.460 5.125 -13.121 1.00 12.00 C ATOM 1395 O ASN A 90 -6.367 4.643 -12.879 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.601 3.195 -11.975 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.654 3.812 -10.569 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.349 4.785 -10.336 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -7.945 3.283 -9.610 1.00 12.00 N ATOM 0 H ASN A 90 -8.552 2.945 -14.685 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.558 4.968 -12.728 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.396 2.459 -12.090 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -7.657 2.669 -12.116 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -7.975 3.684 -8.673 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.361 2.468 -9.798 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.611 6.396 -13.399 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.444 7.334 -13.440 1.00 12.00 C ATOM 1408 C TYR A 91 -6.584 8.197 -12.197 1.00 12.00 C ATOM 1409 O TYR A 91 -7.478 9.026 -12.123 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.463 8.213 -14.706 1.00 12.00 C ATOM 1411 CG TYR A 91 -7.870 8.665 -15.030 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -8.725 7.818 -15.742 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.314 9.931 -14.628 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -10.024 8.232 -16.053 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -9.615 10.348 -14.939 1.00 12.00 C ATOM 1416 CZ TYR A 91 -10.469 9.497 -15.651 1.00 12.00 C ATOM 1417 OH TYR A 91 -11.752 9.906 -15.957 1.00 12.00 O ATOM 0 H TYR A 91 -8.510 6.832 -13.603 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.501 6.788 -13.466 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -5.822 9.083 -14.559 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -6.054 7.654 -15.548 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -8.381 6.842 -16.052 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -7.654 10.586 -14.078 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -10.683 7.577 -16.603 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -9.959 11.324 -14.630 1.00 12.00 H new ATOM 0 HH TYR A 91 -11.901 10.808 -15.604 1.00 12.00 H new ATOM 1427 N ILE A 92 -5.769 7.957 -11.189 1.00 12.00 N ATOM 1428 CA ILE A 92 -5.926 8.712 -9.904 1.00 12.00 C ATOM 1429 C ILE A 92 -4.579 9.127 -9.302 1.00 12.00 C ATOM 1430 O ILE A 92 -3.533 8.931 -9.891 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.687 7.824 -8.906 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.151 6.385 -8.970 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -8.176 7.822 -9.264 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -6.466 5.669 -7.662 1.00 12.00 C ATOM 0 H ILE A 92 -5.009 7.276 -11.203 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.478 9.628 -10.113 1.00 12.00 H new ATOM 0 HB ILE A 92 -6.547 8.216 -7.899 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.604 5.853 -9.807 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -5.075 6.393 -9.143 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -8.719 7.193 -8.558 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -8.563 8.840 -9.216 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -8.307 7.432 -10.273 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -6.087 4.648 -7.706 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -5.992 6.197 -6.835 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -7.545 5.649 -7.509 1.00 12.00 H new ATOM 1446 N CYS A 93 -4.633 9.720 -8.124 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.396 10.197 -7.416 1.00 12.00 C ATOM 1448 C CYS A 93 -3.306 9.538 -6.033 1.00 12.00 C ATOM 1449 O CYS A 93 -4.157 9.748 -5.179 1.00 12.00 O ATOM 1450 CB CYS A 93 -3.476 11.718 -7.261 1.00 12.00 C ATOM 1451 SG CYS A 93 -1.893 12.363 -6.675 1.00 12.00 S ATOM 0 H CYS A 93 -5.500 9.895 -7.616 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.510 9.929 -7.992 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -3.734 12.176 -8.216 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.267 11.979 -6.558 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.280 8.739 -5.819 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.105 8.030 -4.508 1.00 12.00 C ATOM 1458 C VAL A 94 -0.810 8.508 -3.821 1.00 12.00 C ATOM 1459 O VAL A 94 -0.003 9.192 -4.429 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.052 6.512 -4.780 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -0.744 6.131 -5.481 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -2.162 5.749 -3.460 1.00 12.00 C ATOM 0 H VAL A 94 -1.550 8.548 -6.506 1.00 12.00 H new ATOM 0 HA VAL A 94 -2.939 8.252 -3.842 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.886 6.249 -5.430 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -0.728 5.056 -5.663 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -0.673 6.661 -6.431 1.00 12.00 H new ATOM 0 HG13 VAL A 94 0.101 6.404 -4.849 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -2.124 4.677 -3.655 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.334 6.029 -2.808 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -3.106 5.996 -2.974 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.612 8.138 -2.565 1.00 12.00 N ATOM 1473 CA LYS A 95 0.626 8.546 -1.829 1.00 12.00 C ATOM 1474 C LYS A 95 1.343 7.288 -1.294 1.00 12.00 C ATOM 1475 O LYS A 95 0.690 6.329 -0.901 1.00 12.00 O ATOM 1476 CB LYS A 95 0.260 9.484 -0.677 1.00 12.00 C ATOM 1477 CG LYS A 95 -0.091 10.862 -1.242 1.00 12.00 C ATOM 1478 CD LYS A 95 0.152 11.930 -0.173 1.00 12.00 C ATOM 1479 CE LYS A 95 0.630 13.222 -0.842 1.00 12.00 C ATOM 1480 NZ LYS A 95 1.102 14.179 0.199 1.00 12.00 N ATOM 0 H LYS A 95 -1.263 7.569 -2.024 1.00 12.00 H new ATOM 0 HA LYS A 95 1.297 9.075 -2.506 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.585 9.081 -0.118 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.094 9.565 0.020 1.00 12.00 H new ATOM 0 HG2 LYS A 95 0.515 11.070 -2.124 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -1.133 10.881 -1.560 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.765 12.115 0.386 1.00 12.00 H new ATOM 0 HD3 LYS A 95 0.897 11.581 0.542 1.00 12.00 H new ATOM 0 HE2 LYS A 95 1.436 13.004 -1.542 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -0.181 13.667 -1.418 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 1.426 15.056 -0.257 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 0.321 14.396 0.851 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 1.888 13.754 0.730 1.00 12.00 H new ATOM 1494 N CYS A 96 2.673 7.266 -1.304 1.00 12.00 N ATOM 1495 CA CYS A 96 3.418 6.035 -0.846 1.00 12.00 C ATOM 1496 C CYS A 96 4.226 6.225 0.452 1.00 12.00 C ATOM 1497 O CYS A 96 5.167 6.993 0.517 1.00 12.00 O ATOM 1498 CB CYS A 96 4.406 5.600 -1.939 1.00 12.00 C ATOM 1499 SG CYS A 96 3.660 5.778 -3.577 1.00 12.00 S ATOM 0 H CYS A 96 3.264 8.041 -1.607 1.00 12.00 H new ATOM 0 HA CYS A 96 2.649 5.288 -0.650 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.312 6.203 -1.879 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.701 4.563 -1.778 1.00 12.00 H new ATOM 1504 N GLU A 97 3.910 5.416 1.438 1.00 12.00 N ATOM 1505 CA GLU A 97 4.671 5.367 2.736 1.00 12.00 C ATOM 1506 C GLU A 97 4.887 3.867 2.984 1.00 12.00 C ATOM 1507 O GLU A 97 4.045 3.073 2.606 1.00 12.00 O ATOM 1508 CB GLU A 97 3.876 6.009 3.879 1.00 12.00 C ATOM 1509 CG GLU A 97 4.581 5.761 5.218 1.00 12.00 C ATOM 1510 CD GLU A 97 3.956 6.643 6.299 1.00 12.00 C ATOM 1511 OE1 GLU A 97 4.053 7.852 6.179 1.00 12.00 O ATOM 1512 OE2 GLU A 97 3.391 6.093 7.231 1.00 12.00 O ATOM 0 H GLU A 97 3.127 4.763 1.396 1.00 12.00 H new ATOM 0 HA GLU A 97 5.607 5.924 2.689 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.776 7.080 3.705 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.868 5.595 3.908 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.495 4.711 5.497 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.645 5.980 5.126 1.00 12.00 H new ATOM 1519 N ASN A 98 6.003 3.451 3.554 1.00 12.00 N ATOM 1520 CA ASN A 98 6.244 1.961 3.717 1.00 12.00 C ATOM 1521 C ASN A 98 6.094 1.299 2.314 1.00 12.00 C ATOM 1522 O ASN A 98 5.713 0.151 2.181 1.00 12.00 O ATOM 1523 CB ASN A 98 5.207 1.383 4.684 1.00 12.00 C ATOM 1524 CG ASN A 98 5.571 1.784 6.117 1.00 12.00 C ATOM 1525 OD1 ASN A 98 4.832 2.498 6.765 1.00 12.00 O ATOM 1526 ND2 ASN A 98 6.688 1.355 6.640 1.00 12.00 N ATOM 0 H ASN A 98 6.743 4.057 3.907 1.00 12.00 H new ATOM 0 HA ASN A 98 7.239 1.770 4.118 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.213 1.752 4.432 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.176 0.297 4.595 1.00 12.00 H new ATOM 0 HD21 ASN A 98 6.940 1.619 7.592 1.00 12.00 H new ATOM 0 HD22 ASN A 98 7.309 0.755 6.096 1.00 12.00 H new ATOM 1533 N GLN A 99 6.379 2.079 1.281 1.00 12.00 N ATOM 1534 CA GLN A 99 6.288 1.673 -0.171 1.00 12.00 C ATOM 1535 C GLN A 99 4.934 1.068 -0.588 1.00 12.00 C ATOM 1536 O GLN A 99 4.800 0.581 -1.700 1.00 12.00 O ATOM 1537 CB GLN A 99 7.453 0.758 -0.583 1.00 12.00 C ATOM 1538 CG GLN A 99 7.547 -0.464 0.330 1.00 12.00 C ATOM 1539 CD GLN A 99 8.590 -1.432 -0.230 1.00 12.00 C ATOM 1540 OE1 GLN A 99 8.267 -2.543 -0.600 1.00 12.00 O ATOM 1541 NE2 GLN A 99 9.837 -1.054 -0.310 1.00 12.00 N ATOM 0 H GLN A 99 6.691 3.043 1.401 1.00 12.00 H new ATOM 0 HA GLN A 99 6.367 2.610 -0.722 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.317 0.434 -1.615 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.388 1.316 -0.545 1.00 12.00 H new ATOM 0 HG2 GLN A 99 7.822 -0.158 1.339 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.577 -0.956 0.399 1.00 12.00 H new ATOM 0 HE21 GLN A 99 10.108 -0.121 0.001 1.00 12.00 H new ATOM 0 HE22 GLN A 99 10.540 -1.692 -0.683 1.00 12.00 H new ATOM 1550 N TYR A 100 3.922 1.188 0.235 1.00 12.00 N ATOM 1551 CA TYR A 100 2.543 0.732 -0.146 1.00 12.00 C ATOM 1552 C TYR A 100 1.668 2.001 -0.058 1.00 12.00 C ATOM 1553 O TYR A 100 1.947 2.849 0.772 1.00 12.00 O ATOM 1554 CB TYR A 100 2.054 -0.432 0.790 1.00 12.00 C ATOM 1555 CG TYR A 100 0.954 -0.019 1.777 1.00 12.00 C ATOM 1556 CD1 TYR A 100 -0.339 0.304 1.318 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.236 0.054 3.146 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -1.331 0.697 2.220 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.241 0.451 4.045 1.00 12.00 C ATOM 1560 CZ TYR A 100 -1.039 0.776 3.582 1.00 12.00 C ATOM 1561 OH TYR A 100 -2.011 1.179 4.468 1.00 12.00 O ATOM 0 H TYR A 100 3.991 1.589 1.170 1.00 12.00 H new ATOM 0 HA TYR A 100 2.498 0.306 -1.148 1.00 12.00 H new ATOM 0 HB2 TYR A 100 1.685 -1.251 0.172 1.00 12.00 H new ATOM 0 HB3 TYR A 100 2.906 -0.816 1.351 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.564 0.247 0.263 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.222 -0.196 3.508 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -2.321 0.939 1.864 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.461 0.507 5.101 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.772 0.564 4.421 1.00 12.00 H new ATOM 1571 N PRO A 101 0.643 2.115 -0.889 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.241 3.301 -0.861 1.00 12.00 C ATOM 1573 C PRO A 101 -0.895 3.398 0.515 1.00 12.00 C ATOM 1574 O PRO A 101 -1.939 2.840 0.753 1.00 12.00 O ATOM 1575 CB PRO A 101 -1.236 3.048 -2.000 1.00 12.00 C ATOM 1576 CG PRO A 101 -1.184 1.528 -2.279 1.00 12.00 C ATOM 1577 CD PRO A 101 0.237 1.090 -1.884 1.00 12.00 C ATOM 0 HA PRO A 101 0.266 4.255 -1.008 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -2.242 3.359 -1.716 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.965 3.618 -2.889 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.936 0.995 -1.696 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -1.384 1.314 -3.329 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.245 0.088 -1.456 1.00 12.00 H new ATOM 0 HD3 PRO A 101 0.907 1.075 -2.743 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.238 4.087 1.423 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.744 4.216 2.831 1.00 12.00 C ATOM 1587 C VAL A 102 -1.723 5.383 2.945 1.00 12.00 C ATOM 1588 O VAL A 102 -2.504 5.441 3.883 1.00 12.00 O ATOM 1589 CB VAL A 102 0.463 4.473 3.763 1.00 12.00 C ATOM 1590 CG1 VAL A 102 0.002 4.866 5.172 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.325 3.217 3.869 1.00 12.00 C ATOM 0 H VAL A 102 0.641 4.573 1.244 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.261 3.299 3.114 1.00 12.00 H new ATOM 0 HB VAL A 102 1.040 5.291 3.332 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.873 5.040 5.804 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.596 5.776 5.119 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.599 4.061 5.596 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.171 3.411 4.528 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.729 2.400 4.275 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.691 2.942 2.880 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.656 6.319 2.037 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.544 7.511 2.114 1.00 12.00 C ATOM 1603 C HIS A 103 -3.056 7.805 0.719 1.00 12.00 C ATOM 1604 O HIS A 103 -2.346 7.573 -0.241 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.753 8.738 2.656 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.272 8.421 2.848 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.685 7.915 1.993 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 0.377 8.607 4.062 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.893 7.794 2.659 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.657 8.216 3.898 1.00 12.00 N flip ATOM 0 H HIS A 103 -1.019 6.307 1.240 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.375 7.315 2.791 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.859 9.573 1.963 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.182 9.056 3.606 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.063 8.993 4.970 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.828 7.433 2.257 1.00 12.00 H new ATOM 0 HE2 HIS A 103 2.360 8.241 4.636 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.268 8.312 0.587 1.00 12.00 N ATOM 1619 CA PHE A 104 -4.781 8.616 -0.790 1.00 12.00 C ATOM 1620 C PHE A 104 -4.913 10.130 -0.976 1.00 12.00 C ATOM 1621 O PHE A 104 -5.434 10.819 -0.117 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.135 7.919 -1.071 1.00 12.00 C ATOM 1623 CG PHE A 104 -5.978 7.061 -2.311 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.332 7.585 -3.439 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.424 5.736 -2.318 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.126 6.800 -4.559 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -6.226 4.944 -3.455 1.00 12.00 C ATOM 1628 CZ PHE A 104 -5.573 5.478 -4.572 1.00 12.00 C ATOM 0 H PHE A 104 -4.907 8.523 1.354 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.060 8.224 -1.507 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.431 7.306 -0.220 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -6.921 8.660 -1.219 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -4.992 8.610 -3.434 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -6.919 5.326 -1.450 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.621 7.209 -5.421 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -6.576 3.923 -3.470 1.00 12.00 H new ATOM 0 HZ PHE A 104 -5.415 4.865 -5.447 1.00 12.00 H new ATOM 1638 N ALA A 105 -4.423 10.645 -2.093 1.00 12.00 N ATOM 1639 CA ALA A 105 -4.490 12.121 -2.359 1.00 12.00 C ATOM 1640 C ALA A 105 -5.843 12.499 -2.982 1.00 12.00 C ATOM 1641 O ALA A 105 -6.393 13.539 -2.656 1.00 12.00 O ATOM 1642 CB ALA A 105 -3.349 12.533 -3.302 1.00 12.00 C ATOM 0 H ALA A 105 -3.979 10.099 -2.831 1.00 12.00 H new ATOM 0 HA ALA A 105 -4.385 12.649 -1.411 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -3.403 13.605 -3.491 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -2.391 12.294 -2.840 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -3.443 11.993 -4.244 1.00 12.00 H new ATOM 1648 N GLY A 106 -6.385 11.672 -3.866 1.00 12.00 N ATOM 1649 CA GLY A 106 -7.711 12.000 -4.498 1.00 12.00 C ATOM 1650 C GLY A 106 -7.776 11.500 -5.950 1.00 12.00 C ATOM 1651 O GLY A 106 -7.306 10.420 -6.269 1.00 12.00 O ATOM 0 H GLY A 106 -5.966 10.793 -4.171 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.515 11.546 -3.918 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -7.871 13.078 -4.475 1.00 12.00 H new ATOM 1655 N ILE A 107 -8.390 12.286 -6.817 1.00 12.00 N ATOM 1656 CA ILE A 107 -8.549 11.899 -8.259 1.00 12.00 C ATOM 1657 C ILE A 107 -7.201 11.927 -8.992 1.00 12.00 C ATOM 1658 O ILE A 107 -6.154 12.050 -8.379 1.00 12.00 O ATOM 1659 CB ILE A 107 -9.522 12.873 -8.933 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -9.005 14.305 -8.786 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -10.895 12.762 -8.271 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -9.635 15.187 -9.866 1.00 12.00 C ATOM 0 H ILE A 107 -8.792 13.192 -6.578 1.00 12.00 H new ATOM 0 HA ILE A 107 -8.939 10.882 -8.307 1.00 12.00 H new ATOM 0 HB ILE A 107 -9.603 12.624 -9.991 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -9.250 14.692 -7.797 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -7.919 14.322 -8.875 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -11.587 13.455 -8.750 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.269 11.744 -8.377 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -10.810 13.008 -7.213 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -9.267 16.208 -9.762 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -9.368 14.803 -10.851 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -10.719 15.179 -9.756 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.237 11.790 -10.305 1.00 12.00 N ATOM 1675 CA GLY A 108 -5.985 11.781 -11.129 1.00 12.00 C ATOM 1676 C GLY A 108 -5.296 13.149 -11.086 1.00 12.00 C ATOM 1677 O GLY A 108 -4.105 13.247 -11.333 1.00 12.00 O ATOM 0 H GLY A 108 -8.097 11.683 -10.843 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.305 11.014 -10.757 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.225 11.522 -12.160 1.00 12.00 H new ATOM 1681 N ARG A 109 -6.032 14.199 -10.780 1.00 12.00 N ATOM 1682 CA ARG A 109 -5.427 15.568 -10.718 1.00 12.00 C ATOM 1683 C ARG A 109 -4.861 15.807 -9.318 1.00 12.00 C ATOM 1684 O ARG A 109 -5.581 15.746 -8.335 1.00 12.00 O ATOM 1685 CB ARG A 109 -6.495 16.616 -11.029 1.00 12.00 C ATOM 1686 CG ARG A 109 -5.819 17.890 -11.546 1.00 12.00 C ATOM 1687 CD ARG A 109 -5.306 18.720 -10.366 1.00 12.00 C ATOM 1688 NE ARG A 109 -5.706 20.144 -10.551 1.00 12.00 N ATOM 1689 CZ ARG A 109 -4.944 20.952 -11.235 1.00 12.00 C ATOM 1690 NH1 ARG A 109 -4.838 20.810 -12.528 1.00 12.00 N ATOM 1691 NH2 ARG A 109 -4.292 21.904 -10.627 1.00 12.00 N ATOM 0 H ARG A 109 -7.030 14.162 -10.570 1.00 12.00 H new ATOM 0 HA ARG A 109 -4.625 15.647 -11.452 1.00 12.00 H new ATOM 0 HB2 ARG A 109 -7.191 16.232 -11.774 1.00 12.00 H new ATOM 0 HB3 ARG A 109 -7.076 16.837 -10.134 1.00 12.00 H new ATOM 0 HG2 ARG A 109 -4.992 17.631 -12.207 1.00 12.00 H new ATOM 0 HG3 ARG A 109 -6.526 18.475 -12.134 1.00 12.00 H new ATOM 0 HD2 ARG A 109 -5.714 18.335 -9.432 1.00 12.00 H new ATOM 0 HD3 ARG A 109 -4.221 18.642 -10.296 1.00 12.00 H new ATOM 0 HE ARG A 109 -6.576 20.487 -10.143 1.00 12.00 H new ATOM 0 HH11 ARG A 109 -5.351 20.067 -13.003 1.00 12.00 H new ATOM 0 HH12 ARG A 109 -4.242 21.442 -13.063 1.00 12.00 H new ATOM 0 HH21 ARG A 109 -4.378 22.017 -9.617 1.00 12.00 H new ATOM 0 HH22 ARG A 109 -3.696 22.536 -11.162 1.00 12.00 H new ATOM 1705 N CYS A 110 -3.574 16.073 -9.232 1.00 12.00 N ATOM 1706 CA CYS A 110 -2.922 16.317 -7.905 1.00 12.00 C ATOM 1707 C CYS A 110 -2.242 17.707 -7.912 1.00 12.00 C ATOM 1708 O CYS A 110 -2.103 18.296 -8.971 1.00 12.00 O ATOM 1709 CB CYS A 110 -1.873 15.221 -7.667 1.00 12.00 C ATOM 1710 SG CYS A 110 -2.305 14.277 -6.184 1.00 12.00 S ATOM 0 H CYS A 110 -2.945 16.131 -10.033 1.00 12.00 H new ATOM 0 HA CYS A 110 -3.666 16.293 -7.109 1.00 12.00 H new ATOM 0 HB2 CYS A 110 -1.823 14.558 -8.531 1.00 12.00 H new ATOM 0 HB3 CYS A 110 -0.886 15.668 -7.551 1.00 12.00 H new ATOM 1715 N PRO A 111 -1.827 18.203 -6.743 1.00 12.00 N ATOM 1716 CA PRO A 111 -1.160 19.521 -6.647 1.00 12.00 C ATOM 1717 C PRO A 111 0.310 19.402 -7.061 1.00 12.00 C ATOM 1718 O PRO A 111 0.818 20.343 -7.646 1.00 12.00 O ATOM 1719 CB PRO A 111 -1.271 19.886 -5.166 1.00 12.00 C ATOM 1720 CG PRO A 111 -1.464 18.557 -4.401 1.00 12.00 C ATOM 1721 CD PRO A 111 -1.977 17.526 -5.423 1.00 12.00 C ATOM 1722 OXT PRO A 111 0.901 18.372 -6.781 1.00 12.00 O ATOM 0 HA PRO A 111 -1.609 20.271 -7.298 1.00 12.00 H new ATOM 0 HB2 PRO A 111 -0.374 20.403 -4.825 1.00 12.00 H new ATOM 0 HB3 PRO A 111 -2.111 20.559 -4.994 1.00 12.00 H new ATOM 0 HG2 PRO A 111 -0.525 18.227 -3.957 1.00 12.00 H new ATOM 0 HG3 PRO A 111 -2.176 18.680 -3.585 1.00 12.00 H new ATOM 0 HD2 PRO A 111 -1.397 16.604 -5.382 1.00 12.00 H new ATOM 0 HD3 PRO A 111 -3.016 17.258 -5.230 1.00 12.00 H new TER 1730 PRO A 111