USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN :FLIP amide:sc= 0.0906 F(o=-0.85,f=0.61) USER MOD Set 1.2: A 96 THR OG1 : rot 88:sc= 0.517 USER MOD Set 2.1: A 73 SER OG : rot -77:sc= 0.902! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -2.25! C(o=-1.3!,f=-12!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.587 F(o=-1.5!,f=-0.59) USER MOD Single : A 19 GLN : amide:sc= -0.284 K(o=-0.28,f=-3.7!) USER MOD Single : A 29 SER OG : rot 128:sc= 0.329 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 33 TYR OH : rot 73:sc= 1.25 USER MOD Single : A 34 SER OG : rot 15:sc= 0.0852 USER MOD Single : A 36 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -5.08! C(o=-6.7!,f=-5.1!) USER MOD Single : A 45 SER OG : rot -84:sc= -1.61! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 66:sc= 0.806 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -109:sc= 0 (180deg=-1.33) USER MOD Single : A 60 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.4!) USER MOD Single : A 68 SER OG : rot -1:sc= 0.77! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.36 X(o=-1.4,f=-0.93) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.952! C(o=-2.9!,f=-0.95!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 74:sc= 0.411 USER MOD Single : A 97 TYR OH : rot -99:sc= -2.33 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -5.78! C(o=-5.8!,f=-11!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.292 F(o=-1.2,f=-0.29) USER MOD Single : A 109 SER OG : rot -159:sc= -6.57! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= -0.214 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 31.613 1.647 -1.614 1.00 0.00 N ATOM 26 CA ARG A 8 30.157 1.658 -1.503 1.00 0.00 C ATOM 27 C ARG A 8 29.609 0.237 -1.426 1.00 0.00 C ATOM 28 O ARG A 8 30.367 -0.730 -1.359 1.00 0.00 O ATOM 29 CB ARG A 8 29.512 2.398 -2.683 1.00 0.00 C ATOM 30 CG ARG A 8 30.412 2.558 -3.899 1.00 0.00 C ATOM 31 CD ARG A 8 29.700 3.300 -5.017 1.00 0.00 C ATOM 32 NE ARG A 8 30.548 4.323 -5.621 1.00 0.00 N ATOM 33 CZ ARG A 8 31.672 4.054 -6.277 1.00 0.00 C ATOM 34 NH1 ARG A 8 32.078 2.799 -6.413 1.00 0.00 N ATOM 35 NH2 ARG A 8 32.391 5.039 -6.798 1.00 0.00 N ATOM 0 HA ARG A 8 29.905 2.187 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.611 1.862 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 8 29.198 3.386 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 8 31.315 3.100 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 8 30.726 1.576 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 8 29.388 2.589 -5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 8 28.795 3.764 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 8 30.262 5.298 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 8 31.527 2.039 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 8 32.941 2.594 -6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 8 32.082 6.006 -6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 8 33.253 4.830 -7.301 1.00 0.00 H new ATOM 49 N CYS A 9 28.287 0.125 -1.430 1.00 0.00 N ATOM 50 CA CYS A 9 27.625 -1.169 -1.352 1.00 0.00 C ATOM 51 C CYS A 9 27.283 -1.694 -2.743 1.00 0.00 C ATOM 52 O CYS A 9 27.262 -0.937 -3.714 1.00 0.00 O ATOM 53 CB CYS A 9 26.358 -1.053 -0.509 1.00 0.00 C ATOM 54 SG CYS A 9 26.649 -1.137 1.288 1.00 0.00 S ATOM 0 H CYS A 9 27.650 0.920 -1.487 1.00 0.00 H new ATOM 0 HA CYS A 9 28.308 -1.876 -0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.864 -0.110 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.672 -1.851 -0.793 1.00 0.00 H new ATOM 59 N PRO A 10 27.015 -3.006 -2.859 1.00 0.00 N ATOM 60 CA PRO A 10 26.684 -3.634 -4.141 1.00 0.00 C ATOM 61 C PRO A 10 25.336 -3.169 -4.681 1.00 0.00 C ATOM 62 O PRO A 10 24.752 -2.210 -4.178 1.00 0.00 O ATOM 63 CB PRO A 10 26.649 -5.128 -3.816 1.00 0.00 C ATOM 64 CG PRO A 10 26.374 -5.193 -2.356 1.00 0.00 C ATOM 65 CD PRO A 10 27.024 -3.980 -1.753 1.00 0.00 C ATOM 0 HA PRO A 10 27.405 -3.376 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.874 -5.639 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.596 -5.609 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.301 -5.197 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.780 -6.108 -1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.469 -3.613 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.037 -4.194 -1.413 1.00 0.00 H new ATOM 73 N SER A 11 24.851 -3.853 -5.711 1.00 0.00 N ATOM 74 CA SER A 11 23.577 -3.503 -6.325 1.00 0.00 C ATOM 75 C SER A 11 22.415 -3.771 -5.368 1.00 0.00 C ATOM 76 O SER A 11 22.098 -4.926 -5.080 1.00 0.00 O ATOM 77 CB SER A 11 23.378 -4.299 -7.616 1.00 0.00 C ATOM 78 OG SER A 11 22.474 -3.643 -8.488 1.00 0.00 O ATOM 0 H SER A 11 25.320 -4.652 -6.137 1.00 0.00 H new ATOM 0 HA SER A 11 23.595 -2.438 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 11 24.337 -4.432 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.001 -5.294 -7.379 1.00 0.00 H new ATOM 0 HG SER A 11 22.366 -4.172 -9.306 1.00 0.00 H new ATOM 84 N PRO A 12 21.753 -2.711 -4.865 1.00 0.00 N ATOM 85 CA PRO A 12 20.631 -2.861 -3.943 1.00 0.00 C ATOM 86 C PRO A 12 19.567 -3.809 -4.482 1.00 0.00 C ATOM 87 O PRO A 12 19.154 -3.701 -5.637 1.00 0.00 O ATOM 88 CB PRO A 12 20.055 -1.448 -3.798 1.00 0.00 C ATOM 89 CG PRO A 12 20.810 -0.571 -4.741 1.00 0.00 C ATOM 90 CD PRO A 12 22.056 -1.302 -5.145 1.00 0.00 C ATOM 0 HA PRO A 12 20.956 -3.289 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.990 -1.440 -4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.159 -1.092 -2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.203 -0.338 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.060 0.377 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 12 22.285 -1.146 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.921 -0.960 -4.576 1.00 0.00 H new ATOM 98 N ARG A 13 19.127 -4.738 -3.640 1.00 0.00 N ATOM 99 CA ARG A 13 18.101 -5.692 -4.029 1.00 0.00 C ATOM 100 C ARG A 13 16.881 -4.970 -4.569 1.00 0.00 C ATOM 101 O ARG A 13 16.704 -3.775 -4.343 1.00 0.00 O ATOM 102 CB ARG A 13 17.712 -6.562 -2.836 1.00 0.00 C ATOM 103 CG ARG A 13 18.454 -7.885 -2.787 1.00 0.00 C ATOM 104 CD ARG A 13 17.503 -9.042 -2.544 1.00 0.00 C ATOM 105 NE ARG A 13 17.522 -10.005 -3.642 1.00 0.00 N ATOM 106 CZ ARG A 13 16.519 -10.832 -3.921 1.00 0.00 C ATOM 107 NH1 ARG A 13 16.619 -11.676 -4.940 1.00 0.00 N ATOM 108 NH2 ARG A 13 15.416 -10.820 -3.184 1.00 0.00 N ATOM 0 H ARG A 13 19.466 -4.849 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 13 18.502 -6.331 -4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.906 -6.011 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.640 -6.756 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.987 -8.040 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.203 -7.855 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.774 -9.545 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.491 -8.659 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 13 18.355 -10.045 -4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.465 -11.690 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.850 -12.310 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.334 -10.174 -2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.650 -11.457 -3.403 1.00 0.00 H new ATOM 122 N ASP A 14 16.048 -5.699 -5.291 1.00 0.00 N ATOM 123 CA ASP A 14 14.866 -5.114 -5.896 1.00 0.00 C ATOM 124 C ASP A 14 13.596 -5.572 -5.196 1.00 0.00 C ATOM 125 O ASP A 14 13.642 -6.296 -4.202 1.00 0.00 O ATOM 126 CB ASP A 14 14.808 -5.485 -7.374 1.00 0.00 C ATOM 127 CG ASP A 14 14.845 -4.271 -8.281 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.875 -3.564 -8.285 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.845 -4.028 -8.989 1.00 0.00 O ATOM 0 H ASP A 14 16.169 -6.696 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 14 14.933 -4.031 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.646 -6.139 -7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.897 -6.051 -7.567 1.00 0.00 H new ATOM 134 N ILE A 15 12.463 -5.138 -5.728 1.00 0.00 N ATOM 135 CA ILE A 15 11.165 -5.485 -5.165 1.00 0.00 C ATOM 136 C ILE A 15 10.113 -5.613 -6.260 1.00 0.00 C ATOM 137 O ILE A 15 10.168 -4.911 -7.270 1.00 0.00 O ATOM 138 CB ILE A 15 10.694 -4.429 -4.148 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.336 -4.822 -3.564 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.614 -3.062 -4.808 1.00 0.00 C ATOM 141 CD1 ILE A 15 9.004 -4.106 -2.276 1.00 0.00 C ATOM 0 H ILE A 15 12.416 -4.541 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 15 11.285 -6.443 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 15 11.418 -4.379 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.559 -4.611 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.323 -5.897 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.280 -2.325 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.598 -2.781 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.907 -3.099 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.027 -4.433 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.761 -4.337 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.984 -3.031 -2.452 1.00 0.00 H new ATOM 153 N ASP A 16 9.148 -6.500 -6.050 1.00 0.00 N ATOM 154 CA ASP A 16 8.071 -6.688 -7.010 1.00 0.00 C ATOM 155 C ASP A 16 6.900 -5.782 -6.662 1.00 0.00 C ATOM 156 O ASP A 16 6.795 -5.292 -5.538 1.00 0.00 O ATOM 157 CB ASP A 16 7.604 -8.146 -7.037 1.00 0.00 C ATOM 158 CG ASP A 16 8.713 -9.131 -6.715 1.00 0.00 C ATOM 159 OD1 ASP A 16 9.293 -9.032 -5.614 1.00 0.00 O ATOM 160 OD2 ASP A 16 8.999 -10.001 -7.565 1.00 0.00 O ATOM 0 H ASP A 16 9.090 -7.098 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 16 8.451 -6.430 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.792 -8.275 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.199 -8.374 -8.023 1.00 0.00 H new ATOM 165 N ASN A 17 6.033 -5.542 -7.637 1.00 0.00 N ATOM 166 CA ASN A 17 4.868 -4.683 -7.432 1.00 0.00 C ATOM 167 C ASN A 17 5.268 -3.386 -6.730 1.00 0.00 C ATOM 168 O ASN A 17 4.463 -2.777 -6.025 1.00 0.00 O ATOM 169 CB ASN A 17 3.794 -5.406 -6.603 1.00 0.00 C ATOM 170 CG ASN A 17 3.831 -6.917 -6.757 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.178 -7.387 -7.949 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 3.550 -7.654 -5.811 1.00 0.00 N flip ATOM 0 H ASN A 17 6.112 -5.928 -8.578 1.00 0.00 H new ATOM 0 HA ASN A 17 4.457 -4.444 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.925 -5.152 -5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.810 -5.042 -6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.288 -7.251 -4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.579 -8.667 -5.927 1.00 0.00 H new ATOM 179 N GLY A 18 6.524 -2.983 -6.908 1.00 0.00 N ATOM 180 CA GLY A 18 7.012 -1.774 -6.271 1.00 0.00 C ATOM 181 C GLY A 18 8.160 -1.134 -7.025 1.00 0.00 C ATOM 182 O GLY A 18 8.445 -1.499 -8.166 1.00 0.00 O ATOM 0 H GLY A 18 7.211 -3.472 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.195 -1.058 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.336 -2.009 -5.257 1.00 0.00 H new ATOM 186 N GLN A 19 8.817 -0.173 -6.384 1.00 0.00 N ATOM 187 CA GLN A 19 9.942 0.529 -6.995 1.00 0.00 C ATOM 188 C GLN A 19 10.907 1.046 -5.934 1.00 0.00 C ATOM 189 O GLN A 19 10.489 1.616 -4.925 1.00 0.00 O ATOM 190 CB GLN A 19 9.461 1.683 -7.869 1.00 0.00 C ATOM 191 CG GLN A 19 8.293 2.407 -7.263 1.00 0.00 C ATOM 192 CD GLN A 19 8.592 3.862 -6.958 1.00 0.00 C ATOM 193 OE1 GLN A 19 8.814 4.233 -5.805 1.00 0.00 O ATOM 194 NE2 GLN A 19 8.598 4.695 -7.992 1.00 0.00 N ATOM 0 H GLN A 19 8.590 0.139 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 19 10.469 -0.187 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.280 2.385 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.179 1.300 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.444 2.351 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.997 1.902 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.409 4.344 -8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.792 5.686 -7.848 1.00 0.00 H new ATOM 203 N LEU A 20 12.199 0.853 -6.173 1.00 0.00 N ATOM 204 CA LEU A 20 13.224 1.293 -5.239 1.00 0.00 C ATOM 205 C LEU A 20 13.425 2.803 -5.297 1.00 0.00 C ATOM 206 O LEU A 20 13.085 3.451 -6.287 1.00 0.00 O ATOM 207 CB LEU A 20 14.543 0.600 -5.556 1.00 0.00 C ATOM 208 CG LEU A 20 14.820 -0.663 -4.747 1.00 0.00 C ATOM 209 CD1 LEU A 20 16.045 -1.366 -5.296 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.616 -1.591 -4.767 1.00 0.00 C ATOM 0 H LEU A 20 12.561 0.393 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 20 12.892 1.029 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.556 0.344 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.356 1.306 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 20 15.009 -0.381 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.238 -2.267 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.873 -1.636 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.906 -0.701 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.836 -2.485 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.755 -1.080 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.392 -1.875 -5.795 1.00 0.00 H new ATOM 222 N ASP A 21 14.013 3.348 -4.239 1.00 0.00 N ATOM 223 CA ASP A 21 14.314 4.772 -4.169 1.00 0.00 C ATOM 224 C ASP A 21 15.725 4.975 -3.628 1.00 0.00 C ATOM 225 O ASP A 21 15.909 5.372 -2.477 1.00 0.00 O ATOM 226 CB ASP A 21 13.299 5.492 -3.280 1.00 0.00 C ATOM 227 CG ASP A 21 12.870 6.828 -3.855 1.00 0.00 C ATOM 228 OD1 ASP A 21 13.755 7.628 -4.223 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.648 7.075 -3.935 1.00 0.00 O ATOM 0 H ASP A 21 14.293 2.820 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 21 14.252 5.194 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.422 4.858 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.732 5.647 -2.292 1.00 0.00 H new ATOM 234 N ILE A 22 16.717 4.651 -4.452 1.00 0.00 N ATOM 235 CA ILE A 22 18.114 4.742 -4.047 1.00 0.00 C ATOM 236 C ILE A 22 18.610 6.181 -4.009 1.00 0.00 C ATOM 237 O ILE A 22 18.757 6.829 -5.045 1.00 0.00 O ATOM 238 CB ILE A 22 19.030 3.934 -4.984 1.00 0.00 C ATOM 239 CG1 ILE A 22 18.497 2.511 -5.160 1.00 0.00 C ATOM 240 CG2 ILE A 22 20.449 3.906 -4.439 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.990 1.838 -6.419 1.00 0.00 C ATOM 0 H ILE A 22 16.577 4.322 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 22 18.158 4.324 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 22 19.042 4.419 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 22 18.790 1.912 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.407 2.538 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 21.086 3.331 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.829 4.925 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 22 20.451 3.442 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.574 0.832 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.674 2.416 -7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 22 20.078 1.780 -6.398 1.00 0.00 H new ATOM 253 N GLY A 23 18.908 6.655 -2.806 1.00 0.00 N ATOM 254 CA GLY A 23 19.463 7.983 -2.648 1.00 0.00 C ATOM 255 C GLY A 23 20.935 7.934 -2.275 1.00 0.00 C ATOM 256 O GLY A 23 21.499 8.924 -1.810 1.00 0.00 O ATOM 0 H GLY A 23 18.774 6.141 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.341 8.542 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 23 18.910 8.520 -1.877 1.00 0.00 H new ATOM 260 N GLY A 24 21.556 6.770 -2.476 1.00 0.00 N ATOM 261 CA GLY A 24 22.959 6.603 -2.142 1.00 0.00 C ATOM 262 C GLY A 24 23.298 5.157 -1.840 1.00 0.00 C ATOM 263 O GLY A 24 22.539 4.468 -1.161 1.00 0.00 O ATOM 0 H GLY A 24 21.109 5.940 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.574 6.955 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.203 7.221 -1.278 1.00 0.00 H new ATOM 267 N VAL A 25 24.429 4.690 -2.359 1.00 0.00 N ATOM 268 CA VAL A 25 24.841 3.304 -2.166 1.00 0.00 C ATOM 269 C VAL A 25 26.190 3.208 -1.461 1.00 0.00 C ATOM 270 O VAL A 25 26.942 2.257 -1.674 1.00 0.00 O ATOM 271 CB VAL A 25 24.934 2.562 -3.512 1.00 0.00 C ATOM 272 CG1 VAL A 25 23.570 2.488 -4.179 1.00 0.00 C ATOM 273 CG2 VAL A 25 25.943 3.242 -4.424 1.00 0.00 C ATOM 0 H VAL A 25 25.075 5.250 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 25 24.080 2.838 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 25 25.274 1.544 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 25 23.657 1.960 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.876 1.954 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 25 23.197 3.497 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.997 2.705 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 25 25.633 4.271 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 25 26.924 3.238 -3.948 1.00 0.00 H new ATOM 283 N ASP A 26 26.492 4.188 -0.618 1.00 0.00 N ATOM 284 CA ASP A 26 27.755 4.196 0.114 1.00 0.00 C ATOM 285 C ASP A 26 27.563 3.694 1.540 1.00 0.00 C ATOM 286 O ASP A 26 26.469 3.784 2.099 1.00 0.00 O ATOM 287 CB ASP A 26 28.360 5.602 0.130 1.00 0.00 C ATOM 288 CG ASP A 26 27.314 6.687 0.294 1.00 0.00 C ATOM 289 OD1 ASP A 26 27.091 7.128 1.441 1.00 0.00 O ATOM 290 OD2 ASP A 26 26.716 7.094 -0.724 1.00 0.00 O ATOM 0 H ASP A 26 25.884 4.984 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 26 28.442 3.523 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.082 5.673 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.908 5.768 -0.798 1.00 0.00 H new ATOM 295 N PHE A 27 28.634 3.164 2.126 1.00 0.00 N ATOM 296 CA PHE A 27 28.585 2.646 3.490 1.00 0.00 C ATOM 297 C PHE A 27 27.929 3.651 4.429 1.00 0.00 C ATOM 298 O PHE A 27 28.499 4.699 4.731 1.00 0.00 O ATOM 299 CB PHE A 27 29.996 2.312 3.979 1.00 0.00 C ATOM 300 CG PHE A 27 30.045 1.834 5.402 1.00 0.00 C ATOM 301 CD1 PHE A 27 29.045 1.019 5.910 1.00 0.00 C ATOM 302 CD2 PHE A 27 31.095 2.195 6.231 1.00 0.00 C ATOM 303 CE1 PHE A 27 29.090 0.578 7.219 1.00 0.00 C ATOM 304 CE2 PHE A 27 31.146 1.756 7.540 1.00 0.00 C ATOM 305 CZ PHE A 27 30.142 0.946 8.035 1.00 0.00 C ATOM 0 H PHE A 27 29.546 3.082 1.677 1.00 0.00 H new ATOM 0 HA PHE A 27 27.985 1.736 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.423 1.545 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.624 3.197 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 27 28.222 0.725 5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 27 31.883 2.827 5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 27 28.303 -0.054 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 27 31.970 2.046 8.176 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.180 0.601 9.058 1.00 0.00 H new ATOM 315 N GLY A 28 26.719 3.331 4.872 1.00 0.00 N ATOM 316 CA GLY A 28 25.990 4.225 5.749 1.00 0.00 C ATOM 317 C GLY A 28 24.820 4.902 5.054 1.00 0.00 C ATOM 318 O GLY A 28 24.050 5.622 5.689 1.00 0.00 O ATOM 0 H GLY A 28 26.230 2.467 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.622 3.664 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.670 4.986 6.132 1.00 0.00 H new ATOM 322 N SER A 29 24.685 4.675 3.747 1.00 0.00 N ATOM 323 CA SER A 29 23.596 5.269 2.981 1.00 0.00 C ATOM 324 C SER A 29 22.260 4.647 3.373 1.00 0.00 C ATOM 325 O SER A 29 22.153 3.985 4.405 1.00 0.00 O ATOM 326 CB SER A 29 23.838 5.083 1.482 1.00 0.00 C ATOM 327 OG SER A 29 23.552 3.755 1.079 1.00 0.00 O ATOM 0 H SER A 29 25.314 4.086 3.201 1.00 0.00 H new ATOM 0 HA SER A 29 23.563 6.335 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.214 5.779 0.921 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.875 5.323 1.246 1.00 0.00 H new ATOM 0 HG SER A 29 22.940 3.770 0.314 1.00 0.00 H new ATOM 333 N SER A 30 21.245 4.861 2.544 1.00 0.00 N ATOM 334 CA SER A 30 19.920 4.315 2.809 1.00 0.00 C ATOM 335 C SER A 30 19.024 4.422 1.582 1.00 0.00 C ATOM 336 O SER A 30 19.086 5.397 0.835 1.00 0.00 O ATOM 337 CB SER A 30 19.274 5.038 3.993 1.00 0.00 C ATOM 338 OG SER A 30 19.687 6.392 4.052 1.00 0.00 O ATOM 0 H SER A 30 21.314 5.407 1.685 1.00 0.00 H new ATOM 0 HA SER A 30 20.036 3.260 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.189 4.989 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.541 4.533 4.921 1.00 0.00 H new ATOM 0 HG SER A 30 19.259 6.832 4.816 1.00 0.00 H new ATOM 344 N ILE A 31 18.190 3.407 1.385 1.00 0.00 N ATOM 345 CA ILE A 31 17.273 3.376 0.250 1.00 0.00 C ATOM 346 C ILE A 31 15.832 3.506 0.725 1.00 0.00 C ATOM 347 O ILE A 31 15.564 3.499 1.926 1.00 0.00 O ATOM 348 CB ILE A 31 17.405 2.074 -0.577 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.771 1.420 -0.378 1.00 0.00 C ATOM 350 CG2 ILE A 31 17.193 2.362 -2.049 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.880 0.047 -1.005 1.00 0.00 C ATOM 0 H ILE A 31 18.130 2.593 1.997 1.00 0.00 H new ATOM 0 HA ILE A 31 17.540 4.219 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 31 16.639 1.383 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.540 2.066 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.975 1.340 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 31 17.289 1.437 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.197 2.779 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.941 3.078 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.876 -0.357 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.134 -0.615 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.708 0.123 -2.079 1.00 0.00 H new ATOM 363 N THR A 32 14.906 3.612 -0.220 1.00 0.00 N ATOM 364 CA THR A 32 13.494 3.727 0.110 1.00 0.00 C ATOM 365 C THR A 32 12.656 2.823 -0.781 1.00 0.00 C ATOM 366 O THR A 32 12.568 3.032 -1.991 1.00 0.00 O ATOM 367 CB THR A 32 13.031 5.179 -0.027 1.00 0.00 C ATOM 368 OG1 THR A 32 14.141 6.043 -0.193 1.00 0.00 O ATOM 369 CG2 THR A 32 12.239 5.671 1.163 1.00 0.00 C ATOM 0 H THR A 32 15.109 3.621 -1.220 1.00 0.00 H new ATOM 0 HA THR A 32 13.360 3.411 1.145 1.00 0.00 H new ATOM 0 HB THR A 32 12.382 5.195 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.826 6.967 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.942 6.707 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.349 5.054 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.854 5.607 2.061 1.00 0.00 H new ATOM 377 N TYR A 33 12.051 1.808 -0.175 1.00 0.00 N ATOM 378 CA TYR A 33 11.227 0.863 -0.915 1.00 0.00 C ATOM 379 C TYR A 33 9.782 1.340 -0.986 1.00 0.00 C ATOM 380 O TYR A 33 9.231 1.831 -0.001 1.00 0.00 O ATOM 381 CB TYR A 33 11.299 -0.520 -0.267 1.00 0.00 C ATOM 382 CG TYR A 33 12.492 -1.327 -0.720 1.00 0.00 C ATOM 383 CD1 TYR A 33 12.364 -2.284 -1.716 1.00 0.00 C ATOM 384 CD2 TYR A 33 13.750 -1.117 -0.166 1.00 0.00 C ATOM 385 CE1 TYR A 33 13.454 -3.019 -2.143 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.843 -1.849 -0.586 1.00 0.00 C ATOM 387 CZ TYR A 33 14.690 -2.799 -1.573 1.00 0.00 C ATOM 388 OH TYR A 33 15.778 -3.530 -1.993 1.00 0.00 O ATOM 0 H TYR A 33 12.116 1.619 0.825 1.00 0.00 H new ATOM 0 HA TYR A 33 11.612 0.797 -1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.336 -0.405 0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.387 -1.070 -0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.397 -2.458 -2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.874 -0.370 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.338 -3.761 -2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.813 -1.678 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 33 16.052 -3.226 -2.884 1.00 0.00 H new ATOM 398 N SER A 34 9.176 1.209 -2.162 1.00 0.00 N ATOM 399 CA SER A 34 7.799 1.648 -2.359 1.00 0.00 C ATOM 400 C SER A 34 7.050 0.719 -3.308 1.00 0.00 C ATOM 401 O SER A 34 7.656 0.029 -4.128 1.00 0.00 O ATOM 402 CB SER A 34 7.775 3.076 -2.908 1.00 0.00 C ATOM 403 OG SER A 34 7.985 4.024 -1.875 1.00 0.00 O ATOM 0 H SER A 34 9.614 0.804 -2.989 1.00 0.00 H new ATOM 0 HA SER A 34 7.299 1.622 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.545 3.188 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.817 3.267 -3.392 1.00 0.00 H new ATOM 0 HG SER A 34 8.335 3.570 -1.080 1.00 0.00 H new ATOM 409 N CYS A 35 5.725 0.716 -3.197 1.00 0.00 N ATOM 410 CA CYS A 35 4.885 -0.120 -4.045 1.00 0.00 C ATOM 411 C CYS A 35 4.609 0.562 -5.381 1.00 0.00 C ATOM 412 O CYS A 35 4.859 1.757 -5.544 1.00 0.00 O ATOM 413 CB CYS A 35 3.567 -0.433 -3.335 1.00 0.00 C ATOM 414 SG CYS A 35 3.716 -1.653 -1.991 1.00 0.00 S ATOM 0 H CYS A 35 5.210 1.285 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 35 5.417 -1.051 -4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.158 0.492 -2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.851 -0.803 -4.069 1.00 0.00 H new ATOM 419 N ASN A 36 4.100 -0.208 -6.337 1.00 0.00 N ATOM 420 CA ASN A 36 3.813 0.313 -7.669 1.00 0.00 C ATOM 421 C ASN A 36 2.691 1.348 -7.628 1.00 0.00 C ATOM 422 O ASN A 36 2.948 2.548 -7.542 1.00 0.00 O ATOM 423 CB ASN A 36 3.443 -0.831 -8.616 1.00 0.00 C ATOM 424 CG ASN A 36 4.563 -1.167 -9.582 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.406 -0.325 -9.890 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.577 -2.404 -10.065 1.00 0.00 N ATOM 0 H ASN A 36 3.878 -1.196 -6.214 1.00 0.00 H new ATOM 0 HA ASN A 36 4.712 0.805 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.193 -1.716 -8.032 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.550 -0.559 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.307 -2.688 -10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.858 -3.070 -9.782 1.00 0.00 H new ATOM 433 N SER A 37 1.448 0.880 -7.700 1.00 0.00 N ATOM 434 CA SER A 37 0.295 1.771 -7.676 1.00 0.00 C ATOM 435 C SER A 37 -0.923 1.067 -7.091 1.00 0.00 C ATOM 436 O SER A 37 -1.222 -0.075 -7.442 1.00 0.00 O ATOM 437 CB SER A 37 -0.020 2.271 -9.087 1.00 0.00 C ATOM 438 OG SER A 37 -0.643 3.543 -9.051 1.00 0.00 O ATOM 0 H SER A 37 1.215 -0.110 -7.775 1.00 0.00 H new ATOM 0 HA SER A 37 0.540 2.624 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.900 2.330 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.672 1.558 -9.592 1.00 0.00 H new ATOM 0 HG SER A 37 -0.832 3.841 -9.965 1.00 0.00 H new ATOM 444 N GLY A 38 -1.626 1.755 -6.199 1.00 0.00 N ATOM 445 CA GLY A 38 -2.798 1.175 -5.571 1.00 0.00 C ATOM 446 C GLY A 38 -2.448 0.005 -4.674 1.00 0.00 C ATOM 447 O GLY A 38 -3.292 -0.845 -4.390 1.00 0.00 O ATOM 0 H GLY A 38 -1.405 2.705 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.310 1.939 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.494 0.844 -6.341 1.00 0.00 H new ATOM 451 N TYR A 39 -1.196 -0.040 -4.231 1.00 0.00 N ATOM 452 CA TYR A 39 -0.727 -1.113 -3.365 1.00 0.00 C ATOM 453 C TYR A 39 -0.366 -0.577 -1.985 1.00 0.00 C ATOM 454 O TYR A 39 -0.533 0.610 -1.706 1.00 0.00 O ATOM 455 CB TYR A 39 0.492 -1.795 -3.989 1.00 0.00 C ATOM 456 CG TYR A 39 0.147 -2.982 -4.857 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.028 -3.007 -5.598 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.996 -4.079 -4.935 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.346 -4.091 -6.394 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.684 -5.167 -5.728 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.488 -5.168 -6.454 1.00 0.00 C ATOM 462 OH TYR A 39 -0.801 -6.250 -7.245 1.00 0.00 O ATOM 0 H TYR A 39 -0.487 0.657 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.532 -1.840 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.039 -1.066 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.162 -2.121 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.704 -2.166 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.914 -4.082 -4.367 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.262 -4.094 -6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.355 -6.012 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.091 -6.922 -7.176 1.00 0.00 H new ATOM 472 N HIS A 40 0.135 -1.458 -1.126 1.00 0.00 N ATOM 473 CA HIS A 40 0.542 -1.065 0.217 1.00 0.00 C ATOM 474 C HIS A 40 1.717 -1.911 0.691 1.00 0.00 C ATOM 475 O HIS A 40 1.588 -3.119 0.888 1.00 0.00 O ATOM 476 CB HIS A 40 -0.632 -1.184 1.195 1.00 0.00 C ATOM 477 CG HIS A 40 -0.969 -2.592 1.582 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.014 -3.728 0.847 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -1.319 -2.955 2.866 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.383 -4.745 1.692 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -1.561 -4.254 2.904 1.00 0.00 N flip ATOM 0 H HIS A 40 0.269 -2.447 -1.336 1.00 0.00 H new ATOM 0 HA HIS A 40 0.859 -0.022 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.398 -0.617 2.096 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.512 -0.722 0.747 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.811 -3.813 -0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.385 -2.283 3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.508 -5.780 1.410 1.00 0.00 H new ATOM 490 N LEU A 41 2.869 -1.272 0.848 1.00 0.00 N ATOM 491 CA LEU A 41 4.067 -1.966 1.291 1.00 0.00 C ATOM 492 C LEU A 41 3.976 -2.292 2.775 1.00 0.00 C ATOM 493 O LEU A 41 3.628 -1.436 3.589 1.00 0.00 O ATOM 494 CB LEU A 41 5.312 -1.119 1.009 1.00 0.00 C ATOM 495 CG LEU A 41 6.590 -1.588 1.709 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.822 -1.127 0.943 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.622 -1.078 3.141 1.00 0.00 C ATOM 0 H LEU A 41 2.997 -0.275 0.675 1.00 0.00 H new ATOM 0 HA LEU A 41 4.149 -2.900 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.489 -1.108 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.108 -0.091 1.309 1.00 0.00 H new ATOM 0 HG LEU A 41 6.595 -2.678 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.720 -1.471 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.800 -1.541 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.830 -0.038 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.536 -1.418 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.596 0.012 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.758 -1.461 3.683 1.00 0.00 H new ATOM 509 N ILE A 42 4.279 -3.537 3.120 1.00 0.00 N ATOM 510 CA ILE A 42 4.222 -3.973 4.508 1.00 0.00 C ATOM 511 C ILE A 42 5.618 -4.068 5.107 1.00 0.00 C ATOM 512 O ILE A 42 6.601 -4.262 4.391 1.00 0.00 O ATOM 513 CB ILE A 42 3.516 -5.336 4.656 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.390 -5.476 3.629 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.967 -5.488 6.064 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.380 -4.352 3.687 1.00 0.00 C ATOM 0 H ILE A 42 4.566 -4.260 2.460 1.00 0.00 H new ATOM 0 HA ILE A 42 3.643 -3.222 5.046 1.00 0.00 H new ATOM 0 HB ILE A 42 4.245 -6.125 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.823 -5.514 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.877 -6.424 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.470 -6.454 6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.785 -5.429 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.251 -4.691 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.611 -4.515 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.920 -4.327 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.881 -3.403 3.496 1.00 0.00 H new ATOM 528 N GLY A 43 5.699 -3.921 6.423 1.00 0.00 N ATOM 529 CA GLY A 43 6.982 -3.983 7.096 1.00 0.00 C ATOM 530 C GLY A 43 7.777 -2.702 6.942 1.00 0.00 C ATOM 531 O GLY A 43 7.243 -1.607 7.115 1.00 0.00 O ATOM 0 H GLY A 43 4.900 -3.760 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.824 -4.184 8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.559 -4.816 6.696 1.00 0.00 H new ATOM 535 N GLU A 44 9.056 -2.840 6.610 1.00 0.00 N ATOM 536 CA GLU A 44 9.925 -1.686 6.419 1.00 0.00 C ATOM 537 C GLU A 44 9.718 -1.081 5.038 1.00 0.00 C ATOM 538 O GLU A 44 8.988 -1.629 4.216 1.00 0.00 O ATOM 539 CB GLU A 44 11.388 -2.096 6.582 1.00 0.00 C ATOM 540 CG GLU A 44 11.730 -3.386 5.856 1.00 0.00 C ATOM 541 CD GLU A 44 11.906 -4.560 6.799 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.247 -4.329 7.978 1.00 0.00 O ATOM 543 OE2 GLU A 44 11.701 -5.710 6.358 1.00 0.00 O ATOM 0 H GLU A 44 9.514 -3.740 6.468 1.00 0.00 H new ATOM 0 HA GLU A 44 9.672 -0.940 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.027 -1.296 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.610 -2.213 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.940 -3.615 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.647 -3.244 5.284 1.00 0.00 H new ATOM 550 N SER A 45 10.380 0.040 4.785 1.00 0.00 N ATOM 551 CA SER A 45 10.288 0.711 3.494 1.00 0.00 C ATOM 552 C SER A 45 11.531 1.557 3.245 1.00 0.00 C ATOM 553 O SER A 45 11.487 2.551 2.520 1.00 0.00 O ATOM 554 CB SER A 45 9.035 1.587 3.438 1.00 0.00 C ATOM 555 OG SER A 45 8.343 1.410 2.214 1.00 0.00 O ATOM 0 H SER A 45 10.988 0.505 5.458 1.00 0.00 H new ATOM 0 HA SER A 45 10.220 -0.048 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.377 1.339 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.314 2.634 3.553 1.00 0.00 H new ATOM 0 HG SER A 45 8.743 1.983 1.526 1.00 0.00 H new ATOM 561 N LYS A 46 12.641 1.151 3.855 1.00 0.00 N ATOM 562 CA LYS A 46 13.897 1.874 3.726 1.00 0.00 C ATOM 563 C LYS A 46 15.075 0.975 4.086 1.00 0.00 C ATOM 564 O LYS A 46 15.141 0.452 5.196 1.00 0.00 O ATOM 565 CB LYS A 46 13.883 3.095 4.643 1.00 0.00 C ATOM 566 CG LYS A 46 13.646 4.404 3.915 1.00 0.00 C ATOM 567 CD LYS A 46 14.776 5.392 4.157 1.00 0.00 C ATOM 568 CE LYS A 46 14.309 6.581 4.982 1.00 0.00 C ATOM 569 NZ LYS A 46 13.955 7.746 4.125 1.00 0.00 N ATOM 0 H LYS A 46 12.693 0.321 4.446 1.00 0.00 H new ATOM 0 HA LYS A 46 14.009 2.195 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.106 2.963 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.834 3.151 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.551 4.214 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.704 4.840 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.596 4.890 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.166 5.742 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.443 6.292 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.095 6.869 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.642 8.536 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.788 8.038 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.188 7.479 3.476 1.00 0.00 H new ATOM 583 N SER A 47 15.999 0.794 3.145 1.00 0.00 N ATOM 584 CA SER A 47 17.176 -0.034 3.384 1.00 0.00 C ATOM 585 C SER A 47 18.333 0.816 3.879 1.00 0.00 C ATOM 586 O SER A 47 18.380 2.017 3.623 1.00 0.00 O ATOM 587 CB SER A 47 17.592 -0.768 2.114 1.00 0.00 C ATOM 588 OG SER A 47 18.738 -1.570 2.340 1.00 0.00 O ATOM 0 H SER A 47 15.955 1.208 2.214 1.00 0.00 H new ATOM 0 HA SER A 47 16.917 -0.768 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.770 -1.393 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.800 -0.046 1.324 1.00 0.00 H new ATOM 0 HG SER A 47 18.516 -2.289 2.968 1.00 0.00 H new ATOM 594 N TYR A 48 19.277 0.186 4.563 1.00 0.00 N ATOM 595 CA TYR A 48 20.430 0.904 5.089 1.00 0.00 C ATOM 596 C TYR A 48 21.736 0.222 4.711 1.00 0.00 C ATOM 597 O TYR A 48 22.053 -0.864 5.198 1.00 0.00 O ATOM 598 CB TYR A 48 20.318 1.034 6.608 1.00 0.00 C ATOM 599 CG TYR A 48 18.904 1.287 7.069 1.00 0.00 C ATOM 600 CD1 TYR A 48 18.314 0.495 8.043 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.144 2.292 6.488 1.00 0.00 C ATOM 602 CE1 TYR A 48 17.013 0.718 8.449 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.842 2.521 6.886 1.00 0.00 C ATOM 604 CZ TYR A 48 16.280 1.730 7.866 1.00 0.00 C ATOM 605 OH TYR A 48 14.982 1.954 8.266 1.00 0.00 O ATOM 0 H TYR A 48 19.269 -0.814 4.766 1.00 0.00 H new ATOM 0 HA TYR A 48 20.437 1.899 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.690 0.122 7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.957 1.849 6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.881 -0.308 8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.578 2.905 5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.572 0.103 9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.267 3.315 6.433 1.00 0.00 H new ATOM 0 HH TYR A 48 14.608 2.703 7.757 1.00 0.00 H new ATOM 615 N CYS A 49 22.494 0.879 3.841 1.00 0.00 N ATOM 616 CA CYS A 49 23.782 0.366 3.400 1.00 0.00 C ATOM 617 C CYS A 49 24.720 0.214 4.583 1.00 0.00 C ATOM 618 O CYS A 49 25.505 1.111 4.894 1.00 0.00 O ATOM 619 CB CYS A 49 24.398 1.294 2.355 1.00 0.00 C ATOM 620 SG CYS A 49 26.112 0.878 1.899 1.00 0.00 S ATOM 0 H CYS A 49 22.235 1.774 3.426 1.00 0.00 H new ATOM 0 HA CYS A 49 23.627 -0.613 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.780 1.272 1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.373 2.316 2.734 1.00 0.00 H new ATOM 625 N GLU A 50 24.607 -0.918 5.253 1.00 0.00 N ATOM 626 CA GLU A 50 25.420 -1.198 6.426 1.00 0.00 C ATOM 627 C GLU A 50 26.621 -2.062 6.064 1.00 0.00 C ATOM 628 O GLU A 50 26.897 -2.298 4.888 1.00 0.00 O ATOM 629 CB GLU A 50 24.573 -1.890 7.491 1.00 0.00 C ATOM 630 CG GLU A 50 24.495 -1.119 8.799 1.00 0.00 C ATOM 631 CD GLU A 50 23.128 -1.207 9.448 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.054 -1.617 10.625 1.00 0.00 O ATOM 633 OE2 GLU A 50 22.131 -0.865 8.779 1.00 0.00 O ATOM 0 H GLU A 50 23.957 -1.663 5.004 1.00 0.00 H new ATOM 0 HA GLU A 50 25.791 -0.253 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 50 23.565 -2.036 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.986 -2.880 7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.246 -1.504 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.739 -0.073 8.615 1.00 0.00 H new ATOM 640 N LEU A 51 27.338 -2.523 7.081 1.00 0.00 N ATOM 641 CA LEU A 51 28.519 -3.346 6.866 1.00 0.00 C ATOM 642 C LEU A 51 28.261 -4.796 7.260 1.00 0.00 C ATOM 643 O LEU A 51 27.664 -5.075 8.299 1.00 0.00 O ATOM 644 CB LEU A 51 29.703 -2.791 7.662 1.00 0.00 C ATOM 645 CG LEU A 51 29.598 -2.949 9.180 1.00 0.00 C ATOM 646 CD1 LEU A 51 29.458 -1.591 9.851 1.00 0.00 C ATOM 647 CD2 LEU A 51 30.810 -3.690 9.722 1.00 0.00 C ATOM 0 H LEU A 51 27.122 -2.341 8.061 1.00 0.00 H new ATOM 0 HA LEU A 51 28.757 -3.319 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.613 -3.287 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.812 -1.732 7.430 1.00 0.00 H new ATOM 0 HG LEU A 51 28.707 -3.535 9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 51 29.385 -1.724 10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.330 -0.979 9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.559 -1.095 9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 30.719 -3.794 10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 30.866 -4.678 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.715 -3.130 9.486 1.00 0.00 H new ATOM 709 N MET A 57 30.408 -4.597 3.127 1.00 0.00 N ATOM 710 CA MET A 57 29.243 -3.737 2.949 1.00 0.00 C ATOM 711 C MET A 57 28.017 -4.572 2.599 1.00 0.00 C ATOM 712 O MET A 57 28.119 -5.579 1.899 1.00 0.00 O ATOM 713 CB MET A 57 29.481 -2.683 1.853 1.00 0.00 C ATOM 714 CG MET A 57 30.826 -2.796 1.147 1.00 0.00 C ATOM 715 SD MET A 57 30.816 -4.020 -0.176 1.00 0.00 S ATOM 716 CE MET A 57 32.085 -3.363 -1.257 1.00 0.00 C ATOM 0 HA MET A 57 29.072 -3.217 3.891 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.687 -2.765 1.110 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.401 -1.691 2.298 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.098 -1.824 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.593 -3.060 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 57 31.623 -2.967 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 57 32.622 -2.565 -0.744 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.783 -4.157 -1.524 1.00 0.00 H new ATOM 726 N VAL A 58 26.861 -4.149 3.090 1.00 0.00 N ATOM 727 CA VAL A 58 25.617 -4.862 2.831 1.00 0.00 C ATOM 728 C VAL A 58 24.416 -3.926 2.907 1.00 0.00 C ATOM 729 O VAL A 58 24.562 -2.731 3.167 1.00 0.00 O ATOM 730 CB VAL A 58 25.413 -6.019 3.825 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.189 -7.250 3.382 1.00 0.00 C ATOM 732 CG2 VAL A 58 25.827 -5.593 5.223 1.00 0.00 C ATOM 0 H VAL A 58 26.758 -3.316 3.670 1.00 0.00 H new ATOM 0 HA VAL A 58 25.694 -5.268 1.822 1.00 0.00 H new ATOM 0 HB VAL A 58 24.354 -6.277 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.032 -8.057 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.841 -7.565 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.251 -7.012 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.677 -6.422 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 58 26.879 -5.308 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.222 -4.743 5.538 1.00 0.00 H new ATOM 742 N TRP A 59 23.230 -4.479 2.679 1.00 0.00 N ATOM 743 CA TRP A 59 22.000 -3.698 2.717 1.00 0.00 C ATOM 744 C TRP A 59 21.014 -4.289 3.717 1.00 0.00 C ATOM 745 O TRP A 59 20.651 -5.462 3.624 1.00 0.00 O ATOM 746 CB TRP A 59 21.367 -3.652 1.326 1.00 0.00 C ATOM 747 CG TRP A 59 22.119 -2.786 0.365 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.031 -3.193 -0.568 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.035 -1.363 0.250 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.509 -2.109 -1.263 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.918 -0.973 -0.775 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.297 -0.378 0.915 1.00 0.00 C ATOM 753 CZ2 TRP A 59 23.080 0.357 -1.150 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.467 0.941 0.544 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.341 1.296 -0.484 1.00 0.00 C ATOM 0 H TRP A 59 23.095 -5.467 2.466 1.00 0.00 H new ATOM 0 HA TRP A 59 22.246 -2.685 3.034 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.311 -4.664 0.926 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.344 -3.286 1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.332 -4.217 -0.734 1.00 0.00 H new ATOM 0 HE1 TRP A 59 24.193 -2.144 -2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.608 -0.644 1.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.764 0.638 -1.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.913 1.712 1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.436 2.336 -0.760 1.00 0.00 H new ATOM 766 N ASN A 60 20.581 -3.473 4.673 1.00 0.00 N ATOM 767 CA ASN A 60 19.645 -3.933 5.690 1.00 0.00 C ATOM 768 C ASN A 60 18.722 -2.802 6.149 1.00 0.00 C ATOM 769 O ASN A 60 19.196 -1.745 6.563 1.00 0.00 O ATOM 770 CB ASN A 60 20.412 -4.486 6.891 1.00 0.00 C ATOM 771 CG ASN A 60 20.717 -5.963 6.754 1.00 0.00 C ATOM 772 OD1 ASN A 60 19.936 -6.719 6.175 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.859 -6.381 7.283 1.00 0.00 N ATOM 0 H ASN A 60 20.862 -2.497 4.764 1.00 0.00 H new ATOM 0 HA ASN A 60 19.031 -4.719 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.345 -3.935 7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.829 -4.321 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.121 -7.365 7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.476 -5.719 7.754 1.00 0.00 H new ATOM 780 N PRO A 61 17.388 -3.009 6.112 1.00 0.00 N ATOM 781 CA PRO A 61 16.758 -4.246 5.639 1.00 0.00 C ATOM 782 C PRO A 61 16.775 -4.352 4.117 1.00 0.00 C ATOM 783 O PRO A 61 17.475 -3.600 3.440 1.00 0.00 O ATOM 784 CB PRO A 61 15.311 -4.146 6.152 1.00 0.00 C ATOM 785 CG PRO A 61 15.268 -2.923 7.012 1.00 0.00 C ATOM 786 CD PRO A 61 16.380 -2.039 6.536 1.00 0.00 C ATOM 0 HA PRO A 61 17.285 -5.130 5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.607 -4.067 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.035 -5.034 6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.305 -2.419 6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.398 -3.181 8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 61 16.065 -1.395 5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 61 16.750 -1.388 7.328 1.00 0.00 H new ATOM 794 N GLU A 62 16.008 -5.298 3.588 1.00 0.00 N ATOM 795 CA GLU A 62 15.935 -5.521 2.158 1.00 0.00 C ATOM 796 C GLU A 62 14.565 -5.114 1.610 1.00 0.00 C ATOM 797 O GLU A 62 13.880 -4.271 2.189 1.00 0.00 O ATOM 798 CB GLU A 62 16.220 -6.990 1.862 1.00 0.00 C ATOM 799 CG GLU A 62 17.445 -7.530 2.574 1.00 0.00 C ATOM 800 CD GLU A 62 17.216 -8.906 3.169 1.00 0.00 C ATOM 801 OE1 GLU A 62 17.723 -9.892 2.595 1.00 0.00 O ATOM 802 OE2 GLU A 62 16.529 -8.997 4.208 1.00 0.00 O ATOM 0 H GLU A 62 15.424 -5.927 4.139 1.00 0.00 H new ATOM 0 HA GLU A 62 16.684 -4.903 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.353 -7.584 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.351 -7.116 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.278 -7.576 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.734 -6.839 3.366 1.00 0.00 H new ATOM 809 N ALA A 63 14.171 -5.724 0.496 1.00 0.00 N ATOM 810 CA ALA A 63 12.888 -5.435 -0.133 1.00 0.00 C ATOM 811 C ALA A 63 11.733 -5.958 0.719 1.00 0.00 C ATOM 812 O ALA A 63 11.552 -7.169 0.851 1.00 0.00 O ATOM 813 CB ALA A 63 12.838 -6.046 -1.524 1.00 0.00 C ATOM 0 H ALA A 63 14.727 -6.426 0.008 1.00 0.00 H new ATOM 0 HA ALA A 63 12.783 -4.353 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.875 -5.824 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.638 -5.627 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.965 -7.126 -1.452 1.00 0.00 H new ATOM 819 N PRO A 64 10.935 -5.055 1.313 1.00 0.00 N ATOM 820 CA PRO A 64 9.807 -5.438 2.168 1.00 0.00 C ATOM 821 C PRO A 64 8.665 -6.071 1.375 1.00 0.00 C ATOM 822 O PRO A 64 8.892 -6.704 0.344 1.00 0.00 O ATOM 823 CB PRO A 64 9.358 -4.111 2.799 1.00 0.00 C ATOM 824 CG PRO A 64 10.454 -3.142 2.507 1.00 0.00 C ATOM 825 CD PRO A 64 11.074 -3.596 1.226 1.00 0.00 C ATOM 0 HA PRO A 64 10.094 -6.192 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.412 -3.774 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.205 -4.219 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.064 -2.128 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.188 -3.129 3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.557 -3.189 0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.117 -3.290 1.148 1.00 0.00 H new ATOM 833 N ILE A 65 7.439 -5.903 1.866 1.00 0.00 N ATOM 834 CA ILE A 65 6.267 -6.475 1.213 1.00 0.00 C ATOM 835 C ILE A 65 5.553 -5.442 0.349 1.00 0.00 C ATOM 836 O ILE A 65 5.802 -4.244 0.464 1.00 0.00 O ATOM 837 CB ILE A 65 5.268 -7.032 2.242 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.006 -7.690 3.410 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.323 -8.020 1.585 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.870 -8.861 2.995 1.00 0.00 C ATOM 0 H ILE A 65 7.233 -5.375 2.714 1.00 0.00 H new ATOM 0 HA ILE A 65 6.628 -7.287 0.582 1.00 0.00 H new ATOM 0 HB ILE A 65 4.681 -6.201 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.631 -6.944 3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.277 -8.029 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.624 -8.404 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.770 -7.521 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.896 -8.847 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.363 -9.279 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.248 -9.626 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.623 -8.523 2.282 1.00 0.00 H new ATOM 852 N CYS A 66 4.649 -5.919 -0.501 1.00 0.00 N ATOM 853 CA CYS A 66 3.879 -5.047 -1.378 1.00 0.00 C ATOM 854 C CYS A 66 2.678 -5.793 -1.952 1.00 0.00 C ATOM 855 O CYS A 66 2.823 -6.874 -2.524 1.00 0.00 O ATOM 856 CB CYS A 66 4.758 -4.524 -2.512 1.00 0.00 C ATOM 857 SG CYS A 66 5.394 -2.838 -2.245 1.00 0.00 S ATOM 0 H CYS A 66 4.432 -6.911 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 66 3.519 -4.202 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.601 -5.202 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.185 -4.542 -3.439 1.00 0.00 H new ATOM 862 N GLU A 67 1.490 -5.218 -1.788 1.00 0.00 N ATOM 863 CA GLU A 67 0.268 -5.846 -2.276 1.00 0.00 C ATOM 864 C GLU A 67 -0.805 -4.806 -2.580 1.00 0.00 C ATOM 865 O GLU A 67 -0.605 -3.610 -2.367 1.00 0.00 O ATOM 866 CB GLU A 67 -0.258 -6.841 -1.241 1.00 0.00 C ATOM 867 CG GLU A 67 -0.472 -8.241 -1.792 1.00 0.00 C ATOM 868 CD GLU A 67 -1.556 -8.999 -1.052 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.148 -8.424 -0.115 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.813 -10.168 -1.409 1.00 0.00 O ATOM 0 H GLU A 67 1.348 -4.321 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 67 0.506 -6.372 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.444 -6.891 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.201 -6.470 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.735 -8.176 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.463 -8.798 -1.731 1.00 0.00 H new ATOM 877 N SER A 68 -1.950 -5.274 -3.067 1.00 0.00 N ATOM 878 CA SER A 68 -3.064 -4.391 -3.387 1.00 0.00 C ATOM 879 C SER A 68 -3.986 -4.228 -2.185 1.00 0.00 C ATOM 880 O SER A 68 -4.606 -5.190 -1.729 1.00 0.00 O ATOM 881 CB SER A 68 -3.852 -4.942 -4.577 1.00 0.00 C ATOM 882 OG SER A 68 -4.700 -6.005 -4.180 1.00 0.00 O ATOM 0 H SER A 68 -2.130 -6.261 -3.249 1.00 0.00 H new ATOM 0 HA SER A 68 -2.659 -3.414 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.447 -4.145 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.161 -5.291 -5.344 1.00 0.00 H new ATOM 0 HG SER A 68 -4.583 -6.177 -3.222 1.00 0.00 H new ATOM 888 N VAL A 69 -4.073 -3.002 -1.679 1.00 0.00 N ATOM 889 CA VAL A 69 -4.914 -2.697 -0.525 1.00 0.00 C ATOM 890 C VAL A 69 -6.279 -3.376 -0.630 1.00 0.00 C ATOM 891 O VAL A 69 -7.192 -2.866 -1.278 1.00 0.00 O ATOM 892 CB VAL A 69 -5.116 -1.183 -0.379 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.455 -0.573 -1.725 1.00 0.00 C ATOM 894 CG2 VAL A 69 -3.878 -0.530 0.215 1.00 0.00 C ATOM 0 H VAL A 69 -3.568 -2.198 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.397 -3.081 0.355 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.948 -1.005 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.597 0.502 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.640 -0.760 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.372 -1.022 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.043 0.543 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.679 -0.955 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.023 -0.710 -0.437 1.00 0.00 H new ATOM 904 N LYS A 70 -6.403 -4.531 0.011 1.00 0.00 N ATOM 905 CA LYS A 70 -7.642 -5.298 -0.023 1.00 0.00 C ATOM 906 C LYS A 70 -8.691 -4.714 0.920 1.00 0.00 C ATOM 907 O LYS A 70 -8.475 -4.630 2.129 1.00 0.00 O ATOM 908 CB LYS A 70 -7.364 -6.754 0.352 1.00 0.00 C ATOM 909 CG LYS A 70 -7.114 -7.653 -0.846 1.00 0.00 C ATOM 910 CD LYS A 70 -8.344 -8.476 -1.188 1.00 0.00 C ATOM 911 CE LYS A 70 -8.536 -8.597 -2.691 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.810 -10.001 -3.104 1.00 0.00 N ATOM 0 H LYS A 70 -5.659 -4.958 0.562 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.037 -5.248 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.497 -6.791 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.211 -7.143 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.830 -7.046 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.277 -8.318 -0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.250 -9.470 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.226 -8.015 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.362 -7.959 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.643 -8.236 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.935 -10.041 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.011 -10.606 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.676 -10.337 -2.637 1.00 0.00 H new ATOM 926 N CYS A 71 -9.835 -4.328 0.359 1.00 0.00 N ATOM 927 CA CYS A 71 -10.935 -3.788 1.153 1.00 0.00 C ATOM 928 C CYS A 71 -12.024 -4.836 1.312 1.00 0.00 C ATOM 929 O CYS A 71 -12.524 -5.381 0.328 1.00 0.00 O ATOM 930 CB CYS A 71 -11.533 -2.521 0.518 1.00 0.00 C ATOM 931 SG CYS A 71 -10.595 -1.821 -0.885 1.00 0.00 S ATOM 0 H CYS A 71 -10.024 -4.379 -0.642 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.532 -3.518 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.543 -2.749 0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.621 -1.757 1.290 1.00 0.00 H new ATOM 936 N GLN A 72 -12.388 -5.117 2.554 1.00 0.00 N ATOM 937 CA GLN A 72 -13.419 -6.102 2.832 1.00 0.00 C ATOM 938 C GLN A 72 -14.781 -5.586 2.387 1.00 0.00 C ATOM 939 O GLN A 72 -14.867 -4.693 1.544 1.00 0.00 O ATOM 940 CB GLN A 72 -13.434 -6.438 4.324 1.00 0.00 C ATOM 941 CG GLN A 72 -13.987 -5.325 5.199 1.00 0.00 C ATOM 942 CD GLN A 72 -12.961 -4.247 5.487 1.00 0.00 C ATOM 943 OE1 GLN A 72 -12.128 -4.391 6.382 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.015 -3.160 4.726 1.00 0.00 N ATOM 0 H GLN A 72 -11.986 -4.678 3.382 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.197 -7.010 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.029 -7.338 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.418 -6.669 4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.851 -4.877 4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.338 -5.748 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.723 -3.084 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.349 -2.402 4.872 1.00 0.00 H new ATOM 953 N SER A 73 -15.844 -6.151 2.945 1.00 0.00 N ATOM 954 CA SER A 73 -17.187 -5.728 2.598 1.00 0.00 C ATOM 955 C SER A 73 -17.334 -4.221 2.788 1.00 0.00 C ATOM 956 O SER A 73 -16.748 -3.645 3.705 1.00 0.00 O ATOM 957 CB SER A 73 -18.207 -6.472 3.455 1.00 0.00 C ATOM 958 OG SER A 73 -19.442 -6.611 2.776 1.00 0.00 O ATOM 0 H SER A 73 -15.799 -6.900 3.636 1.00 0.00 H new ATOM 0 HA SER A 73 -17.370 -5.964 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.819 -7.457 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.362 -5.934 4.390 1.00 0.00 H new ATOM 0 HG SER A 73 -19.926 -5.759 2.799 1.00 0.00 H new ATOM 964 N PRO A 74 -18.096 -3.554 1.908 1.00 0.00 N ATOM 965 CA PRO A 74 -18.296 -2.104 1.982 1.00 0.00 C ATOM 966 C PRO A 74 -18.938 -1.679 3.302 1.00 0.00 C ATOM 967 O PRO A 74 -19.544 -2.494 3.997 1.00 0.00 O ATOM 968 CB PRO A 74 -19.220 -1.793 0.800 1.00 0.00 C ATOM 969 CG PRO A 74 -19.127 -2.980 -0.100 1.00 0.00 C ATOM 970 CD PRO A 74 -18.824 -4.157 0.783 1.00 0.00 C ATOM 0 HA PRO A 74 -17.351 -1.562 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.245 -1.633 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.907 -0.884 0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.061 -3.131 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.344 -2.842 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.734 -4.657 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.220 -4.903 0.266 1.00 0.00 H new ATOM 978 N PRO A 75 -18.796 -0.394 3.672 1.00 0.00 N ATOM 979 CA PRO A 75 -19.341 0.135 4.924 1.00 0.00 C ATOM 980 C PRO A 75 -20.783 -0.288 5.171 1.00 0.00 C ATOM 981 O PRO A 75 -21.519 -0.611 4.239 1.00 0.00 O ATOM 982 CB PRO A 75 -19.257 1.648 4.732 1.00 0.00 C ATOM 983 CG PRO A 75 -18.107 1.846 3.807 1.00 0.00 C ATOM 984 CD PRO A 75 -18.076 0.641 2.904 1.00 0.00 C ATOM 0 HA PRO A 75 -18.792 -0.237 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.179 2.046 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.095 2.160 5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.227 2.762 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.174 1.940 4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.564 0.843 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.054 0.335 2.681 1.00 0.00 H new ATOM 992 N SER A 76 -21.176 -0.277 6.440 1.00 0.00 N ATOM 993 CA SER A 76 -22.534 -0.634 6.826 1.00 0.00 C ATOM 994 C SER A 76 -23.303 0.607 7.263 1.00 0.00 C ATOM 995 O SER A 76 -23.280 0.983 8.435 1.00 0.00 O ATOM 996 CB SER A 76 -22.513 -1.661 7.960 1.00 0.00 C ATOM 997 OG SER A 76 -23.793 -1.789 8.555 1.00 0.00 O ATOM 0 H SER A 76 -20.570 -0.024 7.220 1.00 0.00 H new ATOM 0 HA SER A 76 -23.034 -1.073 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.190 -2.628 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.786 -1.360 8.714 1.00 0.00 H new ATOM 0 HG SER A 76 -23.754 -2.452 9.276 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.987 1.236 6.315 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.744 2.448 6.600 1.00 0.00 C ATOM 1005 C ILE A 77 -25.952 2.151 7.477 1.00 0.00 C ATOM 1006 O ILE A 77 -26.278 0.991 7.732 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.227 3.132 5.307 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.191 2.217 4.547 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.042 3.509 4.433 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.060 2.950 3.549 1.00 0.00 C ATOM 0 H ILE A 77 -24.033 0.927 5.344 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.067 3.119 7.128 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.760 4.045 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.617 1.452 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.830 1.701 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.400 3.991 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.393 4.196 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.482 2.611 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.717 2.239 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.661 3.696 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.429 3.443 2.810 1.00 0.00 H new ATOM 1022 N SER A 78 -26.608 3.207 7.939 1.00 0.00 N ATOM 1023 CA SER A 78 -27.781 3.063 8.789 1.00 0.00 C ATOM 1024 C SER A 78 -29.051 2.974 7.956 1.00 0.00 C ATOM 1025 O SER A 78 -29.247 3.744 7.015 1.00 0.00 O ATOM 1026 CB SER A 78 -27.884 4.236 9.763 1.00 0.00 C ATOM 1027 OG SER A 78 -27.431 5.439 9.167 1.00 0.00 O ATOM 0 H SER A 78 -26.347 4.173 7.739 1.00 0.00 H new ATOM 0 HA SER A 78 -27.671 2.138 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 78 -28.918 4.354 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 78 -27.294 4.024 10.655 1.00 0.00 H new ATOM 0 HG SER A 78 -27.510 6.173 9.811 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.914 2.033 8.314 1.00 0.00 N ATOM 1034 CA ASN A 79 -31.175 1.843 7.611 1.00 0.00 C ATOM 1035 C ASN A 79 -30.931 1.338 6.196 1.00 0.00 C ATOM 1036 O ASN A 79 -31.743 1.560 5.297 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.986 3.148 7.560 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.647 4.117 8.666 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -31.383 3.587 9.842 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 -31.634 5.331 8.464 1.00 0.00 N flip ATOM 0 H ASN A 79 -29.763 1.388 9.089 1.00 0.00 H new ATOM 0 HA ASN A 79 -31.748 1.098 8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.816 3.634 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -33.048 2.908 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -31.845 5.696 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.412 5.972 9.225 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.808 0.658 6.003 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.483 0.134 4.690 1.00 0.00 C ATOM 1049 C GLY A 80 -28.351 -0.872 4.715 1.00 0.00 C ATOM 1050 O GLY A 80 -28.019 -1.421 5.765 1.00 0.00 O ATOM 0 H GLY A 80 -29.119 0.460 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.369 -0.336 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.212 0.960 4.032 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.776 -1.132 3.545 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.688 -2.092 3.421 1.00 0.00 C ATOM 1056 C ARG A 81 -26.058 -2.026 2.037 1.00 0.00 C ATOM 1057 O ARG A 81 -26.426 -1.189 1.212 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.197 -3.508 3.690 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.601 -3.765 3.171 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.232 -4.961 3.862 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.267 -5.582 3.042 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.010 -6.323 1.969 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -28.756 -6.534 1.593 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.005 -6.854 1.272 1.00 0.00 N ATOM 0 H ARG A 81 -28.048 -0.689 2.667 1.00 0.00 H new ATOM 0 HA ARG A 81 -25.928 -1.837 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.514 -4.223 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.177 -3.693 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.218 -2.881 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.568 -3.939 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.461 -5.696 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -29.663 -4.645 4.812 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.242 -5.440 3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.988 -6.128 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.559 -7.103 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.971 -6.694 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -30.805 -7.422 0.449 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.116 -2.925 1.787 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.434 -2.981 0.500 1.00 0.00 C ATOM 1080 C HIS A 82 -24.729 -4.296 -0.214 1.00 0.00 C ATOM 1081 O HIS A 82 -25.273 -5.226 0.381 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.928 -2.821 0.696 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.372 -3.699 1.773 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.078 -3.241 3.040 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.068 -5.018 1.772 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -21.612 -4.238 3.770 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.598 -5.327 3.024 1.00 0.00 N ATOM 0 H HIS A 82 -24.806 -3.627 2.459 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.804 -2.163 -0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.421 -3.045 -0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.709 -1.781 0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.175 -5.700 0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.296 -4.173 4.801 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.288 -6.250 3.329 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.371 -4.369 -1.493 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.603 -5.576 -2.278 1.00 0.00 C ATOM 1098 C ASN A 83 -23.380 -6.490 -2.246 1.00 0.00 C ATOM 1099 O ASN A 83 -23.274 -7.364 -1.385 1.00 0.00 O ATOM 1100 CB ASN A 83 -24.962 -5.216 -3.722 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.354 -4.630 -3.844 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.451 -3.469 -4.480 1.00 0.00 O flip ATOM 1103 ND2 ASN A 83 -27.330 -5.212 -3.372 1.00 0.00 N flip ATOM 0 H ASN A 83 -23.921 -3.610 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.441 -6.113 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.235 -4.501 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -24.891 -6.108 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.209 -6.103 -2.891 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -28.260 -4.803 -3.462 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.082 -9.900 -0.687 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.099 -8.833 -0.556 1.00 0.00 C ATOM 1167 C PHE A 88 -13.050 -7.972 -1.814 1.00 0.00 C ATOM 1168 O PHE A 88 -13.647 -8.314 -2.836 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.718 -9.425 -0.279 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.379 -9.497 1.177 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.599 -8.517 1.762 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.834 -10.545 1.959 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.279 -8.576 3.101 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.518 -10.611 3.301 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.739 -9.625 3.874 1.00 0.00 C ATOM 0 HA PHE A 88 -13.397 -8.200 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.669 -10.427 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.965 -8.825 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.236 -7.695 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.442 -11.319 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.669 -7.803 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.879 -11.432 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.490 -9.674 4.924 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.338 -6.852 -1.732 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.211 -5.942 -2.865 1.00 0.00 C ATOM 1187 C TYR A 89 -10.823 -5.313 -2.906 1.00 0.00 C ATOM 1188 O TYR A 89 -10.072 -5.379 -1.934 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.280 -4.851 -2.791 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.691 -5.392 -2.750 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.190 -5.998 -1.603 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.519 -5.308 -3.861 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.478 -6.497 -1.563 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.808 -5.806 -3.829 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.282 -6.399 -2.678 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.565 -6.895 -2.643 1.00 0.00 O ATOM 0 H TYR A 89 -11.841 -6.553 -0.893 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.354 -6.517 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.106 -4.243 -1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.177 -4.193 -3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.561 -6.080 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.150 -4.846 -4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.853 -6.961 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.441 -5.731 -4.701 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.997 -6.745 -3.510 1.00 0.00 H new ATOM 1206 N THR A 90 -10.487 -4.706 -4.040 1.00 0.00 N ATOM 1207 CA THR A 90 -9.183 -4.074 -4.207 1.00 0.00 C ATOM 1208 C THR A 90 -9.329 -2.613 -4.621 1.00 0.00 C ATOM 1209 O THR A 90 -10.441 -2.105 -4.765 1.00 0.00 O ATOM 1210 CB THR A 90 -8.357 -4.831 -5.248 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.132 -5.100 -6.404 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.815 -6.149 -4.739 1.00 0.00 C ATOM 0 H THR A 90 -11.097 -4.638 -4.854 1.00 0.00 H new ATOM 0 HA THR A 90 -8.668 -4.108 -3.247 1.00 0.00 H new ATOM 0 HB THR A 90 -7.516 -4.178 -5.481 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.586 -5.583 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.239 -6.634 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.172 -5.970 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.643 -6.794 -4.445 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.196 -1.942 -4.808 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.195 -0.540 -5.201 1.00 0.00 C ATOM 1222 C ASP A 91 -8.746 -0.370 -6.605 1.00 0.00 C ATOM 1223 O ASP A 91 -8.029 -0.507 -7.596 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.785 0.042 -5.120 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.799 -0.697 -6.003 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.580 -0.253 -7.149 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.244 -1.719 -5.547 1.00 0.00 O ATOM 0 H ASP A 91 -7.268 -2.348 -4.693 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.839 0.001 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.812 1.092 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.440 0.006 -4.087 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.031 -0.071 -6.671 1.00 0.00 N ATOM 1233 CA GLY A 92 -10.684 0.137 -7.947 1.00 0.00 C ATOM 1234 C GLY A 92 -11.944 -0.694 -8.109 1.00 0.00 C ATOM 1235 O GLY A 92 -12.290 -1.095 -9.220 1.00 0.00 O ATOM 0 H GLY A 92 -10.639 0.032 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.935 1.192 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.988 -0.107 -8.750 1.00 0.00 H new ATOM 1239 N SER A 93 -12.631 -0.957 -7.001 1.00 0.00 N ATOM 1240 CA SER A 93 -13.863 -1.736 -7.034 1.00 0.00 C ATOM 1241 C SER A 93 -15.068 -0.852 -6.727 1.00 0.00 C ATOM 1242 O SER A 93 -14.919 0.258 -6.216 1.00 0.00 O ATOM 1243 CB SER A 93 -13.791 -2.888 -6.029 1.00 0.00 C ATOM 1244 OG SER A 93 -12.449 -3.168 -5.669 1.00 0.00 O ATOM 0 H SER A 93 -12.355 -0.642 -6.071 1.00 0.00 H new ATOM 0 HA SER A 93 -13.979 -2.147 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.364 -2.633 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.249 -3.779 -6.459 1.00 0.00 H new ATOM 0 HG SER A 93 -12.119 -2.468 -5.068 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.260 -1.348 -7.039 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.482 -0.595 -6.797 1.00 0.00 C ATOM 1252 C VAL A 94 -18.602 -1.503 -6.295 1.00 0.00 C ATOM 1253 O VAL A 94 -18.686 -2.673 -6.666 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.946 0.144 -8.071 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.904 1.167 -8.493 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.296 0.816 -7.860 1.00 0.00 C ATOM 0 H VAL A 94 -16.405 -2.266 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.256 0.142 -6.026 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.061 -0.593 -8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.243 1.681 -9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.761 1.892 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.960 0.662 -8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.595 1.328 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.042 0.063 -7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.219 1.539 -7.048 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.467 -0.940 -5.459 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.600 -1.676 -4.909 1.00 0.00 C ATOM 1268 C VAL A 95 -21.806 -0.763 -4.747 1.00 0.00 C ATOM 1269 O VAL A 95 -21.662 0.431 -4.487 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.261 -2.303 -3.547 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.378 -3.221 -3.081 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.947 -3.057 -3.621 1.00 0.00 C ATOM 0 H VAL A 95 -19.405 0.029 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.834 -2.474 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.157 -1.499 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.115 -3.653 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.301 -2.650 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.520 -4.020 -3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.723 -3.494 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.024 -3.849 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.149 -2.370 -3.903 1.00 0.00 H new ATOM 1282 N THR A 96 -22.993 -1.330 -4.905 1.00 0.00 N ATOM 1283 CA THR A 96 -24.224 -0.564 -4.781 1.00 0.00 C ATOM 1284 C THR A 96 -24.878 -0.801 -3.426 1.00 0.00 C ATOM 1285 O THR A 96 -24.936 -1.931 -2.940 1.00 0.00 O ATOM 1286 CB THR A 96 -25.194 -0.931 -5.906 1.00 0.00 C ATOM 1287 OG1 THR A 96 -24.833 -2.166 -6.498 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.254 0.107 -7.005 1.00 0.00 C ATOM 0 H THR A 96 -23.130 -2.318 -5.119 1.00 0.00 H new ATOM 0 HA THR A 96 -23.975 0.494 -4.860 1.00 0.00 H new ATOM 0 HB THR A 96 -26.174 -0.993 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.255 -2.901 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 96 -25.960 -0.214 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.580 1.060 -6.588 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.265 0.224 -7.449 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.356 0.276 -2.815 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.993 0.193 -1.507 1.00 0.00 C ATOM 1298 C TYR A 97 -27.510 0.145 -1.636 1.00 0.00 C ATOM 1299 O TYR A 97 -28.074 0.592 -2.636 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.588 1.388 -0.646 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.315 1.179 0.137 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.181 0.655 -0.468 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.240 1.535 1.475 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.014 0.471 0.246 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.074 1.360 2.195 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.963 0.829 1.575 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.800 0.653 2.289 1.00 0.00 O ATOM 0 H TYR A 97 -25.314 1.218 -3.205 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.658 -0.728 -1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.468 2.261 -1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.397 1.612 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.212 0.387 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.107 1.956 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.145 0.048 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.033 1.638 3.238 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.862 -0.170 2.817 1.00 0.00 H new ATOM 1317 N SER A 98 -28.167 -0.387 -0.611 1.00 0.00 N ATOM 1318 CA SER A 98 -29.624 -0.491 -0.610 1.00 0.00 C ATOM 1319 C SER A 98 -30.188 -0.400 0.806 1.00 0.00 C ATOM 1320 O SER A 98 -29.620 -0.954 1.747 1.00 0.00 O ATOM 1321 CB SER A 98 -30.059 -1.807 -1.258 1.00 0.00 C ATOM 1322 OG SER A 98 -29.553 -2.921 -0.543 1.00 0.00 O ATOM 0 H SER A 98 -27.717 -0.752 0.228 1.00 0.00 H new ATOM 0 HA SER A 98 -30.018 0.345 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 98 -31.147 -1.857 -1.292 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.706 -1.842 -2.289 1.00 0.00 H new ATOM 0 HG SER A 98 -29.847 -3.749 -0.977 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.318 0.291 0.946 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.964 0.446 2.244 1.00 0.00 C ATOM 1330 C CYS A 99 -32.578 -0.872 2.707 1.00 0.00 C ATOM 1331 O CYS A 99 -32.837 -1.765 1.899 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.039 1.531 2.178 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.398 3.186 1.763 1.00 0.00 S ATOM 0 H CYS A 99 -31.803 0.751 0.176 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.204 0.745 2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.784 1.245 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.550 1.581 3.140 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.806 -0.990 4.011 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.365 -2.208 4.583 1.00 0.00 C ATOM 1340 C ASN A 100 -34.887 -2.135 4.679 1.00 0.00 C ATOM 1341 O ASN A 100 -35.598 -2.830 3.952 1.00 0.00 O ATOM 1342 CB ASN A 100 -32.764 -2.455 5.968 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.263 -2.249 5.992 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -30.555 -2.649 5.068 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -30.770 -1.614 7.049 1.00 0.00 N ATOM 0 H ASN A 100 -32.612 -0.256 4.692 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.112 -3.037 3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.232 -1.784 6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -32.993 -3.473 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -29.767 -1.440 7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -31.394 -1.300 7.792 1.00 0.00 H new ATOM 1352 N SER A 101 -35.381 -1.304 5.592 1.00 0.00 N ATOM 1353 CA SER A 101 -36.819 -1.156 5.795 1.00 0.00 C ATOM 1354 C SER A 101 -37.502 -0.601 4.549 1.00 0.00 C ATOM 1355 O SER A 101 -38.708 -0.768 4.366 1.00 0.00 O ATOM 1356 CB SER A 101 -37.092 -0.240 6.990 1.00 0.00 C ATOM 1357 OG SER A 101 -37.873 -0.900 7.971 1.00 0.00 O ATOM 0 H SER A 101 -34.807 -0.723 6.203 1.00 0.00 H new ATOM 0 HA SER A 101 -37.231 -2.145 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.147 0.082 7.429 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.609 0.658 6.653 1.00 0.00 H new ATOM 0 HG SER A 101 -38.032 -0.294 8.725 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.730 0.068 3.699 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.286 0.638 2.486 1.00 0.00 C ATOM 1365 C GLY A 102 -37.089 2.140 2.404 1.00 0.00 C ATOM 1366 O GLY A 102 -37.906 2.849 1.817 1.00 0.00 O ATOM 0 H GLY A 102 -35.731 0.225 3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.820 0.166 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.351 0.412 2.438 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.999 2.623 2.989 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.686 4.041 2.978 1.00 0.00 C ATOM 1372 C TYR A 103 -35.300 4.497 1.579 1.00 0.00 C ATOM 1373 O TYR A 103 -35.347 3.721 0.624 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.531 4.325 3.941 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.967 4.545 5.372 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.014 3.488 6.272 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -35.322 5.810 5.825 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -35.407 3.683 7.582 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -35.716 6.013 7.134 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.758 4.947 8.008 1.00 0.00 C ATOM 1381 OH TYR A 103 -36.150 5.147 9.312 1.00 0.00 O ATOM 0 H TYR A 103 -35.315 2.046 3.479 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.573 4.590 3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.831 3.490 3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.992 5.207 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.739 2.497 5.942 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.289 6.647 5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -35.439 2.850 8.269 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -35.990 7.002 7.471 1.00 0.00 H new ATOM 0 HH TYR A 103 -36.362 6.094 9.448 1.00 0.00 H new ATOM 1391 N SER A 104 -34.906 5.757 1.469 1.00 0.00 N ATOM 1392 CA SER A 104 -34.460 6.307 0.196 1.00 0.00 C ATOM 1393 C SER A 104 -32.967 6.592 0.253 1.00 0.00 C ATOM 1394 O SER A 104 -32.531 7.553 0.887 1.00 0.00 O ATOM 1395 CB SER A 104 -35.227 7.584 -0.147 1.00 0.00 C ATOM 1396 OG SER A 104 -36.337 7.304 -0.982 1.00 0.00 O ATOM 0 H SER A 104 -34.886 6.418 2.245 1.00 0.00 H new ATOM 0 HA SER A 104 -34.657 5.573 -0.585 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.570 8.063 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.562 8.289 -0.646 1.00 0.00 H new ATOM 0 HG SER A 104 -36.812 8.137 -1.185 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.184 5.733 -0.388 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.739 5.857 -0.367 1.00 0.00 C ATOM 1404 C LEU A 105 -30.291 7.275 -0.665 1.00 0.00 C ATOM 1405 O LEU A 105 -30.712 7.891 -1.645 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.087 4.891 -1.345 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.811 4.241 -0.813 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.079 2.807 -0.393 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.701 4.306 -1.846 1.00 0.00 C ATOM 0 H LEU A 105 -32.531 4.941 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.417 5.603 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.802 4.109 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.855 5.424 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.484 4.797 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.159 2.360 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.836 2.793 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.435 2.237 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.803 3.837 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -28.013 3.780 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.490 5.348 -2.088 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.429 7.774 0.199 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.874 9.106 0.054 1.00 0.00 C ATOM 1423 C ILE A 106 -27.549 9.037 -0.699 1.00 0.00 C ATOM 1424 O ILE A 106 -26.921 7.983 -0.764 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.668 9.765 1.434 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.019 9.985 2.119 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.916 11.081 1.305 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.925 10.941 1.376 1.00 0.00 C ATOM 0 H ILE A 106 -29.094 7.269 1.020 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.577 9.715 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.066 9.094 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.525 9.025 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.849 10.367 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.785 11.523 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.939 10.900 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.484 11.764 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.864 11.049 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.439 11.913 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -31.126 10.551 0.378 1.00 0.00 H new ATOM 1440 N GLY A 107 -27.138 10.154 -1.283 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.902 10.172 -2.038 1.00 0.00 C ATOM 1442 C GLY A 107 -25.958 9.252 -3.238 1.00 0.00 C ATOM 1443 O GLY A 107 -26.872 9.342 -4.057 1.00 0.00 O ATOM 0 H GLY A 107 -27.636 11.044 -1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.695 11.189 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -25.077 9.874 -1.391 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.989 8.355 -3.329 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.933 7.403 -4.431 1.00 0.00 C ATOM 1449 C ASN A 108 -24.758 5.978 -3.916 1.00 0.00 C ATOM 1450 O ASN A 108 -23.940 5.723 -3.033 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.789 7.756 -5.381 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.681 9.249 -5.626 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -23.216 9.982 -4.621 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 -24.015 9.738 -6.705 1.00 0.00 N flip ATOM 0 H ASN A 108 -24.230 8.265 -2.654 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.878 7.460 -4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.850 7.390 -4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.939 7.244 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.367 9.137 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -23.940 10.744 -6.854 1.00 0.00 H new ATOM 1461 N SER A 109 -25.532 5.055 -4.474 1.00 0.00 N ATOM 1462 CA SER A 109 -25.458 3.657 -4.089 1.00 0.00 C ATOM 1463 C SER A 109 -24.068 3.099 -4.358 1.00 0.00 C ATOM 1464 O SER A 109 -23.577 2.237 -3.630 1.00 0.00 O ATOM 1465 CB SER A 109 -26.504 2.862 -4.865 1.00 0.00 C ATOM 1466 OG SER A 109 -26.023 2.499 -6.145 1.00 0.00 O ATOM 0 H SER A 109 -26.221 5.255 -5.199 1.00 0.00 H new ATOM 0 HA SER A 109 -25.657 3.573 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.772 1.965 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.412 3.455 -4.969 1.00 0.00 H new ATOM 0 HG SER A 109 -26.780 2.299 -6.734 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.436 3.619 -5.400 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.107 3.174 -5.767 1.00 0.00 C ATOM 1474 C GLY A 110 -21.045 3.620 -4.781 1.00 0.00 C ATOM 1475 O GLY A 110 -20.939 4.804 -4.463 1.00 0.00 O ATOM 0 H GLY A 110 -23.823 4.346 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.099 2.086 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.861 3.557 -6.757 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.253 2.666 -4.304 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.175 2.957 -3.366 1.00 0.00 C ATOM 1481 C VAL A 111 -17.840 2.514 -3.941 1.00 0.00 C ATOM 1482 O VAL A 111 -17.674 1.355 -4.315 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.398 2.261 -2.021 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.455 2.817 -0.964 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.847 2.404 -1.587 1.00 0.00 C ATOM 0 H VAL A 111 -20.338 1.680 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.168 4.035 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.179 1.200 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.631 2.308 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.423 2.656 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.635 3.885 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.991 1.904 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.094 3.461 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.497 1.950 -2.335 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.896 3.442 -4.025 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.592 3.144 -4.605 1.00 0.00 C ATOM 1497 C LEU A 112 -14.661 2.480 -3.598 1.00 0.00 C ATOM 1498 O LEU A 112 -14.416 3.011 -2.515 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.944 4.424 -5.139 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.484 4.279 -5.578 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.914 5.629 -5.984 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.370 3.284 -6.723 1.00 0.00 C ATOM 0 H LEU A 112 -17.007 4.403 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.754 2.445 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.528 4.782 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.000 5.191 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.905 3.901 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.876 5.508 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.494 6.035 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.963 6.314 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.326 3.193 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.741 2.312 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.961 3.634 -7.569 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.122 1.328 -3.982 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.172 0.608 -3.148 1.00 0.00 C ATOM 1516 C CYS A 113 -11.751 0.976 -3.552 1.00 0.00 C ATOM 1517 O CYS A 113 -11.183 0.380 -4.467 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.371 -0.897 -3.295 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.106 -1.904 -2.458 1.00 0.00 S ATOM 0 H CYS A 113 -14.330 0.872 -4.871 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.339 0.886 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.351 -1.163 -2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.377 -1.149 -4.355 1.00 0.00 H new ATOM 1524 N SER A 114 -11.200 1.989 -2.901 1.00 0.00 N ATOM 1525 CA SER A 114 -9.862 2.463 -3.230 1.00 0.00 C ATOM 1526 C SER A 114 -8.984 2.576 -1.990 1.00 0.00 C ATOM 1527 O SER A 114 -9.480 2.710 -0.871 1.00 0.00 O ATOM 1528 CB SER A 114 -9.943 3.820 -3.933 1.00 0.00 C ATOM 1529 OG SER A 114 -9.032 3.889 -5.016 1.00 0.00 O ATOM 0 H SER A 114 -11.656 2.498 -2.144 1.00 0.00 H new ATOM 0 HA SER A 114 -9.407 1.731 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.957 3.985 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.726 4.616 -3.220 1.00 0.00 H new ATOM 0 HG SER A 114 -9.105 4.765 -5.449 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.674 2.527 -2.205 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.729 2.635 -1.108 1.00 0.00 C ATOM 1537 C GLY A 115 -7.088 1.748 0.068 1.00 0.00 C ATOM 1538 O GLY A 115 -6.746 2.055 1.210 1.00 0.00 O ATOM 0 H GLY A 115 -7.247 2.414 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.733 2.371 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.684 3.672 -0.774 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.778 0.645 -0.208 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.176 -0.260 0.852 1.00 0.00 C ATOM 1544 C GLY A 116 -9.378 0.242 1.635 1.00 0.00 C ATOM 1545 O GLY A 116 -9.850 -0.429 2.553 1.00 0.00 O ATOM 0 H GLY A 116 -8.067 0.364 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.409 -1.235 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.338 -0.404 1.534 1.00 0.00 H new ATOM 1549 N GLU A 117 -9.877 1.423 1.273 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.029 2.002 1.941 1.00 0.00 C ATOM 1551 C GLU A 117 -12.132 2.306 0.937 1.00 0.00 C ATOM 1552 O GLU A 117 -11.875 2.459 -0.258 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.626 3.280 2.676 1.00 0.00 C ATOM 1554 CG GLU A 117 -9.308 3.159 3.421 1.00 0.00 C ATOM 1555 CD GLU A 117 -8.198 3.969 2.780 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -7.015 3.662 3.035 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -8.512 4.911 2.022 1.00 0.00 O ATOM 0 H GLU A 117 -9.497 1.994 0.519 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.406 1.280 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.555 4.096 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.411 3.546 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.445 3.489 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.012 2.111 3.459 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.357 2.390 1.429 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.505 2.668 0.579 1.00 0.00 C ATOM 1566 C TRP A 118 -14.852 4.151 0.597 1.00 0.00 C ATOM 1567 O TRP A 118 -14.840 4.787 1.651 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.707 1.852 1.047 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.555 0.384 0.809 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.041 -0.535 1.676 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.927 -0.337 -0.368 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.071 -1.784 1.109 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.610 -1.689 -0.146 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.497 0.029 -1.590 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.843 -2.674 -1.098 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.730 -0.951 -2.536 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.403 -2.290 -2.285 1.00 0.00 C ATOM 0 H TRP A 118 -13.583 2.269 2.416 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.249 2.387 -0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -15.863 2.026 2.112 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.600 2.206 0.532 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.666 -0.312 2.664 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.745 -2.644 1.551 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.751 1.059 -1.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.591 -3.707 -0.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.171 -0.680 -3.484 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.597 -3.034 -3.044 1.00 0.00 H new ATOM 1588 N SER A 119 -15.169 4.697 -0.572 1.00 0.00 N ATOM 1589 CA SER A 119 -15.533 6.103 -0.673 1.00 0.00 C ATOM 1590 C SER A 119 -16.919 6.277 -1.267 1.00 0.00 C ATOM 1591 O SER A 119 -17.589 5.311 -1.631 1.00 0.00 O ATOM 1592 CB SER A 119 -14.523 6.876 -1.517 1.00 0.00 C ATOM 1593 OG SER A 119 -14.838 8.257 -1.551 1.00 0.00 O ATOM 0 H SER A 119 -15.181 4.190 -1.457 1.00 0.00 H new ATOM 0 HA SER A 119 -15.531 6.503 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.522 6.738 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.511 6.477 -2.531 1.00 0.00 H new ATOM 0 HG SER A 119 -14.176 8.730 -2.096 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.333 7.532 -1.347 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.643 7.896 -1.881 1.00 0.00 C ATOM 1601 C ASP A 120 -19.746 6.963 -1.376 1.00 0.00 C ATOM 1602 O ASP A 120 -20.547 6.458 -2.163 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.618 7.892 -3.413 1.00 0.00 C ATOM 1604 CG ASP A 120 -17.873 6.701 -3.984 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -16.625 6.739 -4.011 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -18.537 5.731 -4.405 1.00 0.00 O ATOM 0 H ASP A 120 -16.773 8.329 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.868 8.902 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -19.641 7.889 -3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.151 8.811 -3.767 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.825 6.747 -0.049 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.850 5.893 0.552 1.00 0.00 C ATOM 1613 C PRO A 121 -22.165 6.640 0.767 1.00 0.00 C ATOM 1614 O PRO A 121 -22.165 7.811 1.146 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.227 5.520 1.892 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.431 6.724 2.267 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.922 7.313 0.973 1.00 0.00 C ATOM 0 HA PRO A 121 -21.106 5.040 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.989 5.297 2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.596 4.635 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.046 7.444 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.604 6.455 2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.964 8.402 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.884 7.036 0.788 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.306 5.969 0.543 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.621 6.579 0.687 1.00 0.00 C ATOM 1627 C PRO A 122 -25.219 6.412 2.073 1.00 0.00 C ATOM 1628 O PRO A 122 -24.565 5.947 3.006 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.455 5.810 -0.326 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.840 4.449 -0.384 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.407 4.578 0.072 1.00 0.00 C ATOM 0 HA PRO A 122 -24.580 7.657 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.499 5.758 -0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.434 6.294 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.385 3.755 0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.885 4.051 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.176 3.870 0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.710 4.381 -0.742 1.00 0.00 H new ATOM 1639 N THR A 123 -26.481 6.793 2.178 1.00 0.00 N ATOM 1640 CA THR A 123 -27.230 6.679 3.423 1.00 0.00 C ATOM 1641 C THR A 123 -28.617 6.122 3.143 1.00 0.00 C ATOM 1642 O THR A 123 -28.835 5.475 2.120 1.00 0.00 O ATOM 1643 CB THR A 123 -27.335 8.043 4.111 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.435 8.969 3.526 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.042 7.990 5.594 1.00 0.00 C ATOM 0 H THR A 123 -27.016 7.190 1.406 1.00 0.00 H new ATOM 0 HA THR A 123 -26.702 5.997 4.090 1.00 0.00 H new ATOM 0 HB THR A 123 -28.370 8.357 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.517 9.835 3.977 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.134 8.989 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 123 -27.752 7.322 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.029 7.621 5.752 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.555 6.370 4.047 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.917 5.898 3.861 1.00 0.00 C ATOM 1655 C CYS A 124 -31.898 6.739 4.661 1.00 0.00 C ATOM 1656 O CYS A 124 -32.197 6.439 5.817 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.034 4.428 4.260 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.558 3.266 2.941 1.00 0.00 S ATOM 0 H CYS A 124 -29.398 6.891 4.910 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.165 5.995 2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.407 4.248 5.133 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.062 4.223 4.558 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.395 7.794 4.032 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.339 8.690 4.674 1.00 0.00 C ATOM 1665 C GLN A 125 -34.640 8.759 3.892 1.00 0.00 C ATOM 1666 O GLN A 125 -34.687 8.422 2.710 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.736 10.088 4.796 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.932 10.295 6.068 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.902 11.400 5.935 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -31.240 12.584 5.944 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -29.637 11.018 5.810 1.00 0.00 N ATOM 0 H GLN A 125 -32.157 8.049 3.073 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.554 8.301 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.093 10.274 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.538 10.825 4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -32.610 10.533 6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -31.429 9.364 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -29.402 10.025 5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.900 11.717 5.716 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.692 9.205 4.561 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.999 9.333 3.932 1.00 0.00 C ATOM 1682 C ILE A 126 -37.117 10.657 3.188 1.00 0.00 C ATOM 1683 O ILE A 126 -37.368 11.702 3.788 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.135 9.222 4.965 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -38.052 7.879 5.688 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.492 9.387 4.293 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -38.492 6.703 4.842 1.00 0.00 C ATOM 0 H ILE A 126 -35.667 9.485 5.541 1.00 0.00 H new ATOM 0 HA ILE A 126 -37.094 8.512 3.221 1.00 0.00 H new ATOM 0 HB ILE A 126 -38.022 10.022 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.025 7.716 6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.670 7.921 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.281 9.305 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.545 10.365 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.623 8.609 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -38.405 5.785 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.529 6.843 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.859 6.634 3.957 1.00 0.00 H new