USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 70 ASN :FLIP amide:sc= -1.71 F(o=-3.5!,f=-2.8) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -172:sc= -1.14 (180deg=0) USER MOD Set 2.1: A 67 HIS : no HE2:sc= -2.98! C(o=-4.3!,f=-28!) USER MOD Set 2.2: A 80 MET CE :methyl -171:sc= -1.35 (180deg=-0.0464) USER MOD Set 3.1: A 63 ASN : amide:sc= 0.971 K(o=-1.2,f=-3.2) USER MOD Set 3.2: A 74 TYR OH : rot -77:sc= -2.2! USER MOD Set 4.1: A 49 THR OG1 : rot -173:sc= 0.00134 USER MOD Set 4.2: A 78 THR OG1 : rot 40:sc= -2.82! USER MOD Set 5.1: A 40 SER OG : rot 167:sc= 0.514! USER MOD Set 5.2: A 52 ASN : amide:sc= 1.07 K(o=1.6,f=-4.3!) USER MOD Set 6.1: A 19 THR OG1 : rot -63:sc= 0.454 USER MOD Set 6.2: A 31 ASN :FLIP amide:sc= -3.1! C(o=-4.9!,f=-2.6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.344 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -26:sc= 1.09 USER MOD Single : A 14 CYS SG : rot -101:sc= -2.92! USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0685 USER MOD Single : A 18 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.298 (180deg=-1.27!) USER MOD Single : A 26 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-6.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-3.9!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.37) USER MOD Single : A 42 GLN : amide:sc= -1.68 K(o=-1.7,f=-4.6!) USER MOD Single : A 46 TYR OH : rot 79:sc= 0.285 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -87:sc= -2.67! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.218 F(o=-4.7!,f=-0.22) USER MOD Single : A 62 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 64 MET CE :methyl 180:sc= -1.1 (180deg=-1.1) USER MOD Single : A 65 SER OG : rot -87:sc= 0.966 USER MOD Single : A 69 THR OG1 : rot 76:sc= -3.66! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= -0.013 (180deg=-0.308) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0156 (180deg=-0.311) USER MOD Single : A 89 LYS NZ :NH3+ 134:sc= -0.125 (180deg=-0.718) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 96 THR OG1 : rot 89:sc= 1.01 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -14.831 -6.248 2.298 1.00 0.00 N ATOM 33 CA PHE A -3 -14.012 -5.727 3.429 1.00 0.00 C ATOM 34 C PHE A -3 -14.676 -6.106 4.755 1.00 0.00 C ATOM 35 O PHE A -3 -15.857 -5.905 4.946 1.00 0.00 O ATOM 36 CB PHE A -3 -13.916 -4.204 3.330 1.00 0.00 C ATOM 37 CG PHE A -3 -13.001 -3.684 4.415 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.627 -3.552 4.171 1.00 0.00 C ATOM 39 CD2 PHE A -3 -13.525 -3.335 5.664 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.781 -3.073 5.176 1.00 0.00 C ATOM 41 CE2 PHE A -3 -12.677 -2.855 6.670 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.307 -2.724 6.426 1.00 0.00 C ATOM 0 H1 PHE A -3 -14.381 -5.991 1.396 1.00 0.00 H new ATOM 0 H2 PHE A -3 -14.900 -7.283 2.368 1.00 0.00 H new ATOM 0 H3 PHE A -3 -15.784 -5.834 2.340 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.013 -6.160 3.383 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.535 -3.916 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.906 -3.759 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.222 -3.820 3.207 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -14.584 -3.436 5.853 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.722 -2.972 4.988 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -13.082 -2.586 7.634 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.654 -2.353 7.202 1.00 0.00 H new ATOM 52 N LYS A -2 -13.919 -6.650 5.672 1.00 0.00 N ATOM 53 CA LYS A -2 -14.499 -7.041 6.986 1.00 0.00 C ATOM 54 C LYS A -2 -13.944 -6.125 8.077 1.00 0.00 C ATOM 55 O LYS A -2 -12.941 -5.463 7.895 1.00 0.00 O ATOM 56 CB LYS A -2 -14.116 -8.488 7.295 1.00 0.00 C ATOM 57 CG LYS A -2 -12.595 -8.593 7.417 1.00 0.00 C ATOM 58 CD LYS A -2 -12.203 -10.061 7.570 1.00 0.00 C ATOM 59 CE LYS A -2 -12.834 -10.618 8.844 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.940 -11.654 9.431 1.00 0.00 N ATOM 0 H LYS A -2 -12.923 -6.840 5.565 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.585 -6.949 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.590 -8.812 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -14.476 -9.148 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -12.117 -8.167 6.535 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -12.247 -8.020 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.538 -10.632 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -11.118 -10.158 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -12.998 -9.815 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.810 -11.049 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.370 -12.033 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.806 -12.425 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -11.019 -11.229 9.659 1.00 0.00 H new ATOM 74 N ALA A -1 -14.589 -6.078 9.209 1.00 0.00 N ATOM 75 CA ALA A -1 -14.095 -5.202 10.309 1.00 0.00 C ATOM 76 C ALA A -1 -12.618 -5.498 10.572 1.00 0.00 C ATOM 77 O ALA A -1 -12.266 -6.543 11.083 1.00 0.00 O ATOM 78 CB ALA A -1 -14.904 -5.471 11.580 1.00 0.00 C ATOM 0 H ALA A -1 -15.435 -6.607 9.420 1.00 0.00 H new ATOM 0 HA ALA A -1 -14.211 -4.157 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.542 -4.830 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.957 -5.259 11.393 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.790 -6.516 11.870 1.00 0.00 H new ATOM 84 N GLY A 1 -11.752 -4.588 10.223 1.00 0.00 N ATOM 85 CA GLY A 1 -10.299 -4.820 10.453 1.00 0.00 C ATOM 86 C GLY A 1 -9.866 -4.129 11.747 1.00 0.00 C ATOM 87 O GLY A 1 -10.071 -2.944 11.927 1.00 0.00 O ATOM 0 H GLY A 1 -11.987 -3.695 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.097 -5.889 10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.722 -4.435 9.613 1.00 0.00 H new ATOM 91 N SER A 2 -9.266 -4.857 12.649 1.00 0.00 N ATOM 92 CA SER A 2 -8.820 -4.236 13.928 1.00 0.00 C ATOM 93 C SER A 2 -7.804 -3.135 13.624 1.00 0.00 C ATOM 94 O SER A 2 -7.665 -2.180 14.361 1.00 0.00 O ATOM 95 CB SER A 2 -8.171 -5.299 14.815 1.00 0.00 C ATOM 96 OG SER A 2 -6.949 -5.721 14.223 1.00 0.00 O ATOM 0 H SER A 2 -9.066 -5.853 12.556 1.00 0.00 H new ATOM 0 HA SER A 2 -9.679 -3.810 14.447 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.986 -4.895 15.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.843 -6.149 14.935 1.00 0.00 H new ATOM 0 HG SER A 2 -6.529 -6.402 14.789 1.00 0.00 H new ATOM 102 N ALA A 3 -7.094 -3.261 12.536 1.00 0.00 N ATOM 103 CA ALA A 3 -6.088 -2.224 12.172 1.00 0.00 C ATOM 104 C ALA A 3 -4.934 -2.236 13.178 1.00 0.00 C ATOM 105 O ALA A 3 -3.850 -1.769 12.892 1.00 0.00 O ATOM 106 CB ALA A 3 -6.754 -0.847 12.179 1.00 0.00 C ATOM 0 H ALA A 3 -7.168 -4.040 11.882 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.696 -2.439 11.178 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.020 -0.086 11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.569 -0.833 11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.148 -0.639 13.174 1.00 0.00 H new ATOM 112 N LYS A 4 -5.152 -2.759 14.354 1.00 0.00 N ATOM 113 CA LYS A 4 -4.055 -2.785 15.361 1.00 0.00 C ATOM 114 C LYS A 4 -2.863 -3.559 14.795 1.00 0.00 C ATOM 115 O LYS A 4 -1.747 -3.081 14.790 1.00 0.00 O ATOM 116 CB LYS A 4 -4.551 -3.474 16.635 1.00 0.00 C ATOM 117 CG LYS A 4 -3.472 -3.389 17.716 1.00 0.00 C ATOM 118 CD LYS A 4 -3.943 -4.134 18.967 1.00 0.00 C ATOM 119 CE LYS A 4 -2.931 -3.930 20.096 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.793 -5.195 20.872 1.00 0.00 N ATOM 0 H LYS A 4 -6.036 -3.167 14.659 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.749 -1.765 15.594 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.468 -2.999 16.984 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.791 -4.517 16.427 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.541 -3.823 17.351 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.265 -2.346 17.957 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.923 -3.768 19.273 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.052 -5.197 18.750 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.965 -3.636 19.685 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.258 -3.123 20.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.105 -5.058 21.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.715 -5.457 21.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.462 -5.954 20.243 1.00 0.00 H new ATOM 134 N LYS A 5 -3.091 -4.748 14.306 1.00 0.00 N ATOM 135 CA LYS A 5 -1.969 -5.540 13.730 1.00 0.00 C ATOM 136 C LYS A 5 -1.444 -4.833 12.481 1.00 0.00 C ATOM 137 O LYS A 5 -0.253 -4.740 12.257 1.00 0.00 O ATOM 138 CB LYS A 5 -2.469 -6.936 13.354 1.00 0.00 C ATOM 139 CG LYS A 5 -2.904 -7.682 14.617 1.00 0.00 C ATOM 140 CD LYS A 5 -3.293 -9.117 14.254 1.00 0.00 C ATOM 141 CE LYS A 5 -3.842 -9.829 15.491 1.00 0.00 C ATOM 142 NZ LYS A 5 -5.086 -10.565 15.131 1.00 0.00 N ATOM 0 H LYS A 5 -4.003 -5.203 14.281 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.169 -5.629 14.465 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.305 -6.859 12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.681 -7.491 12.845 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.094 -7.687 15.346 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.748 -7.172 15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.042 -9.112 13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.426 -9.653 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.098 -10.522 15.885 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.051 -9.104 16.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.459 -11.049 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.796 -9.894 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.873 -11.267 14.394 1.00 0.00 H new ATOM 156 N GLY A 6 -2.332 -4.335 11.665 1.00 0.00 N ATOM 157 CA GLY A 6 -1.903 -3.631 10.423 1.00 0.00 C ATOM 158 C GLY A 6 -1.068 -2.402 10.784 1.00 0.00 C ATOM 159 O GLY A 6 -0.144 -2.041 10.086 1.00 0.00 O ATOM 0 H GLY A 6 -3.341 -4.386 11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.321 -4.305 9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.777 -3.331 9.844 1.00 0.00 H new ATOM 163 N ALA A 7 -1.392 -1.748 11.867 1.00 0.00 N ATOM 164 CA ALA A 7 -0.620 -0.537 12.261 1.00 0.00 C ATOM 165 C ALA A 7 0.847 -0.908 12.471 1.00 0.00 C ATOM 166 O ALA A 7 1.740 -0.252 11.972 1.00 0.00 O ATOM 167 CB ALA A 7 -1.194 0.032 13.561 1.00 0.00 C ATOM 0 H ALA A 7 -2.156 -2.000 12.494 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.693 0.211 11.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.630 0.919 13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.240 0.301 13.410 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.122 -0.717 14.349 1.00 0.00 H new ATOM 173 N THR A 8 1.108 -1.956 13.202 1.00 0.00 N ATOM 174 CA THR A 8 2.519 -2.362 13.434 1.00 0.00 C ATOM 175 C THR A 8 3.077 -3.008 12.165 1.00 0.00 C ATOM 176 O THR A 8 4.218 -2.798 11.803 1.00 0.00 O ATOM 177 CB THR A 8 2.570 -3.364 14.587 1.00 0.00 C ATOM 178 OG1 THR A 8 1.902 -4.559 14.205 1.00 0.00 O ATOM 179 CG2 THR A 8 1.887 -2.765 15.818 1.00 0.00 C ATOM 0 H THR A 8 0.406 -2.547 13.647 1.00 0.00 H new ATOM 0 HA THR A 8 3.118 -1.487 13.686 1.00 0.00 H new ATOM 0 HB THR A 8 3.609 -3.590 14.826 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.145 -4.339 13.622 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.924 -3.481 16.639 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.402 -1.850 16.111 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.847 -2.537 15.582 1.00 0.00 H new ATOM 187 N LEU A 9 2.282 -3.785 11.477 1.00 0.00 N ATOM 188 CA LEU A 9 2.778 -4.424 10.227 1.00 0.00 C ATOM 189 C LEU A 9 3.208 -3.319 9.268 1.00 0.00 C ATOM 190 O LEU A 9 4.232 -3.397 8.619 1.00 0.00 O ATOM 191 CB LEU A 9 1.654 -5.244 9.588 1.00 0.00 C ATOM 192 CG LEU A 9 2.205 -6.035 8.401 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.788 -7.357 8.897 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.075 -6.317 7.410 1.00 0.00 C ATOM 0 H LEU A 9 1.317 -4.003 11.726 1.00 0.00 H new ATOM 0 HA LEU A 9 3.617 -5.084 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.224 -5.925 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.852 -4.584 9.257 1.00 0.00 H new ATOM 0 HG LEU A 9 2.986 -5.456 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.181 -7.921 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.592 -7.157 9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.007 -7.937 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.466 -6.881 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.295 -6.897 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.657 -5.374 7.056 1.00 0.00 H new ATOM 206 N PHE A 10 2.429 -2.278 9.196 1.00 0.00 N ATOM 207 CA PHE A 10 2.770 -1.137 8.307 1.00 0.00 C ATOM 208 C PHE A 10 4.070 -0.504 8.804 1.00 0.00 C ATOM 209 O PHE A 10 4.972 -0.210 8.041 1.00 0.00 O ATOM 210 CB PHE A 10 1.636 -0.108 8.376 1.00 0.00 C ATOM 211 CG PHE A 10 1.892 1.009 7.396 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.516 0.869 6.054 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.502 2.190 7.831 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.756 1.909 5.149 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.740 3.228 6.927 1.00 0.00 C ATOM 216 CZ PHE A 10 2.370 3.090 5.587 1.00 0.00 C ATOM 0 H PHE A 10 1.561 -2.169 9.721 1.00 0.00 H new ATOM 0 HA PHE A 10 2.896 -1.474 7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.684 -0.589 8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.560 0.294 9.386 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.041 -0.041 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.789 2.299 8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.468 1.801 4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.211 4.139 7.265 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.557 3.893 4.889 1.00 0.00 H new ATOM 226 N LYS A 11 4.161 -0.292 10.087 1.00 0.00 N ATOM 227 CA LYS A 11 5.384 0.323 10.673 1.00 0.00 C ATOM 228 C LYS A 11 6.596 -0.581 10.439 1.00 0.00 C ATOM 229 O LYS A 11 7.693 -0.119 10.199 1.00 0.00 O ATOM 230 CB LYS A 11 5.178 0.497 12.180 1.00 0.00 C ATOM 231 CG LYS A 11 6.310 1.351 12.754 1.00 0.00 C ATOM 232 CD LYS A 11 6.140 1.474 14.269 1.00 0.00 C ATOM 233 CE LYS A 11 7.177 2.454 14.821 1.00 0.00 C ATOM 234 NZ LYS A 11 6.845 2.786 16.234 1.00 0.00 N ATOM 0 H LYS A 11 3.432 -0.521 10.762 1.00 0.00 H new ATOM 0 HA LYS A 11 5.561 1.288 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.216 0.971 12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.158 -0.476 12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.274 0.899 12.521 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.302 2.340 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.134 1.821 14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.260 0.498 14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.173 2.016 14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.193 3.361 14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.550 3.452 16.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.901 3.221 16.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.851 1.917 16.805 1.00 0.00 H new ATOM 248 N THR A 12 6.409 -1.867 10.543 1.00 0.00 N ATOM 249 CA THR A 12 7.552 -2.811 10.369 1.00 0.00 C ATOM 250 C THR A 12 7.992 -2.903 8.903 1.00 0.00 C ATOM 251 O THR A 12 9.142 -3.173 8.620 1.00 0.00 O ATOM 252 CB THR A 12 7.133 -4.201 10.853 1.00 0.00 C ATOM 253 OG1 THR A 12 6.097 -4.698 10.019 1.00 0.00 O ATOM 254 CG2 THR A 12 6.632 -4.109 12.295 1.00 0.00 C ATOM 0 H THR A 12 5.511 -2.308 10.742 1.00 0.00 H new ATOM 0 HA THR A 12 8.392 -2.436 10.953 1.00 0.00 H new ATOM 0 HB THR A 12 7.988 -4.876 10.810 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.614 -3.947 9.615 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.333 -5.099 12.640 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.429 -3.727 12.933 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.776 -3.435 12.341 1.00 0.00 H new ATOM 262 N ARG A 13 7.106 -2.713 7.963 1.00 0.00 N ATOM 263 CA ARG A 13 7.531 -2.833 6.537 1.00 0.00 C ATOM 264 C ARG A 13 6.739 -1.883 5.634 1.00 0.00 C ATOM 265 O ARG A 13 6.171 -2.302 4.645 1.00 0.00 O ATOM 266 CB ARG A 13 7.303 -4.272 6.066 1.00 0.00 C ATOM 267 CG ARG A 13 8.236 -5.219 6.823 1.00 0.00 C ATOM 268 CD ARG A 13 8.089 -6.634 6.265 1.00 0.00 C ATOM 269 NE ARG A 13 8.647 -6.686 4.885 1.00 0.00 N ATOM 270 CZ ARG A 13 9.940 -6.702 4.704 1.00 0.00 C ATOM 271 NH1 ARG A 13 10.743 -6.674 5.733 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.428 -6.745 3.495 1.00 0.00 N ATOM 0 H ARG A 13 6.124 -2.484 8.115 1.00 0.00 H new ATOM 0 HA ARG A 13 8.586 -2.568 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.265 -4.559 6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.486 -4.347 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.269 -4.884 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.997 -5.209 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.610 -7.345 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.039 -6.925 6.255 1.00 0.00 H new ATOM 0 HE ARG A 13 8.019 -6.709 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.360 -6.640 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.753 -6.687 5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.800 -6.766 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.438 -6.757 3.353 1.00 0.00 H new ATOM 286 N CYS A 14 6.700 -0.615 5.938 1.00 0.00 N ATOM 287 CA CYS A 14 5.943 0.316 5.052 1.00 0.00 C ATOM 288 C CYS A 14 6.152 1.771 5.487 1.00 0.00 C ATOM 289 O CYS A 14 6.474 2.625 4.684 1.00 0.00 O ATOM 290 CB CYS A 14 4.455 -0.029 5.113 1.00 0.00 C ATOM 291 SG CYS A 14 3.659 0.451 3.559 1.00 0.00 S ATOM 0 H CYS A 14 7.151 -0.188 6.747 1.00 0.00 H new ATOM 0 HA CYS A 14 6.309 0.206 4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.325 -1.097 5.285 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.985 0.488 5.950 1.00 0.00 H new ATOM 0 HG CYS A 14 3.027 1.575 3.724 1.00 0.00 H new ATOM 296 N LEU A 15 5.957 2.066 6.740 1.00 0.00 N ATOM 297 CA LEU A 15 6.132 3.474 7.213 1.00 0.00 C ATOM 298 C LEU A 15 7.539 3.971 6.879 1.00 0.00 C ATOM 299 O LEU A 15 7.734 5.121 6.537 1.00 0.00 O ATOM 300 CB LEU A 15 5.918 3.534 8.728 1.00 0.00 C ATOM 301 CG LEU A 15 5.969 4.989 9.215 1.00 0.00 C ATOM 302 CD1 LEU A 15 4.643 5.692 8.914 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.211 5.004 10.722 1.00 0.00 C ATOM 0 H LEU A 15 5.684 1.397 7.460 1.00 0.00 H new ATOM 0 HA LEU A 15 5.402 4.110 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.956 3.091 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.684 2.947 9.234 1.00 0.00 H new ATOM 0 HG LEU A 15 6.776 5.510 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.690 6.723 9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.461 5.681 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.832 5.173 9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.248 6.035 11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.401 4.477 11.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.157 4.510 10.943 1.00 0.00 H new ATOM 315 N GLN A 16 8.522 3.125 6.985 1.00 0.00 N ATOM 316 CA GLN A 16 9.913 3.566 6.684 1.00 0.00 C ATOM 317 C GLN A 16 9.983 4.122 5.260 1.00 0.00 C ATOM 318 O GLN A 16 10.724 5.044 4.981 1.00 0.00 O ATOM 319 CB GLN A 16 10.862 2.373 6.809 1.00 0.00 C ATOM 320 CG GLN A 16 10.880 1.889 8.260 1.00 0.00 C ATOM 321 CD GLN A 16 11.797 0.671 8.382 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.141 0.054 7.392 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.210 0.295 9.561 1.00 0.00 N ATOM 0 H GLN A 16 8.425 2.149 7.266 1.00 0.00 H new ATOM 0 HA GLN A 16 10.205 4.344 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.540 1.567 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.866 2.659 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.229 2.687 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.871 1.631 8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.922 0.812 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.821 -0.516 9.652 1.00 0.00 H new ATOM 332 N CYS A 17 9.227 3.565 4.357 1.00 0.00 N ATOM 333 CA CYS A 17 9.264 4.056 2.949 1.00 0.00 C ATOM 334 C CYS A 17 8.105 5.020 2.682 1.00 0.00 C ATOM 335 O CYS A 17 8.271 6.039 2.042 1.00 0.00 O ATOM 336 CB CYS A 17 9.140 2.870 1.999 1.00 0.00 C ATOM 337 SG CYS A 17 10.610 1.823 2.133 1.00 0.00 S ATOM 0 H CYS A 17 8.585 2.792 4.531 1.00 0.00 H new ATOM 0 HA CYS A 17 10.207 4.578 2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.247 2.292 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.026 3.223 0.974 1.00 0.00 H new ATOM 0 HG CYS A 17 10.498 0.812 1.323 1.00 0.00 H new ATOM 342 N HIS A 18 6.927 4.693 3.141 1.00 0.00 N ATOM 343 CA HIS A 18 5.757 5.579 2.885 1.00 0.00 C ATOM 344 C HIS A 18 5.398 6.366 4.146 1.00 0.00 C ATOM 345 O HIS A 18 5.224 5.807 5.212 1.00 0.00 O ATOM 346 CB HIS A 18 4.563 4.718 2.467 1.00 0.00 C ATOM 347 CG HIS A 18 4.776 4.191 1.076 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.607 4.977 -0.057 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.119 2.946 0.620 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.845 4.198 -1.132 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.159 2.957 -0.766 1.00 0.00 N ATOM 0 H HIS A 18 6.725 3.852 3.681 1.00 0.00 H new ATOM 0 HA HIS A 18 6.009 6.283 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.439 3.889 3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.647 5.307 2.506 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.350 5.964 -0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.326 2.089 1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.788 4.537 -2.156 1.00 0.00 H new ATOM 359 N THR A 19 5.275 7.661 4.033 1.00 0.00 N ATOM 360 CA THR A 19 4.918 8.486 5.221 1.00 0.00 C ATOM 361 C THR A 19 3.401 8.691 5.263 1.00 0.00 C ATOM 362 O THR A 19 2.847 9.084 6.269 1.00 0.00 O ATOM 363 CB THR A 19 5.613 9.848 5.129 1.00 0.00 C ATOM 364 OG1 THR A 19 5.079 10.576 4.032 1.00 0.00 O ATOM 365 CG2 THR A 19 7.116 9.645 4.925 1.00 0.00 C ATOM 0 H THR A 19 5.407 8.184 3.167 1.00 0.00 H new ATOM 0 HA THR A 19 5.242 7.974 6.127 1.00 0.00 H new ATOM 0 HB THR A 19 5.446 10.404 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.268 10.097 3.198 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.609 10.615 4.860 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.525 9.086 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.286 9.089 4.003 1.00 0.00 H new ATOM 373 N VAL A 20 2.728 8.430 4.175 1.00 0.00 N ATOM 374 CA VAL A 20 1.248 8.611 4.151 1.00 0.00 C ATOM 375 C VAL A 20 0.874 9.911 4.867 1.00 0.00 C ATOM 376 O VAL A 20 -0.133 9.989 5.540 1.00 0.00 O ATOM 377 CB VAL A 20 0.579 7.434 4.863 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.879 7.328 4.413 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.315 6.142 4.514 1.00 0.00 C ATOM 0 H VAL A 20 3.139 8.099 3.302 1.00 0.00 H new ATOM 0 HA VAL A 20 0.909 8.656 3.116 1.00 0.00 H new ATOM 0 HB VAL A 20 0.616 7.593 5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.356 6.489 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.405 8.250 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.917 7.169 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.838 5.303 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.279 5.982 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.354 6.217 4.835 1.00 0.00 H new ATOM 389 N GLU A 21 1.675 10.932 4.726 1.00 0.00 N ATOM 390 CA GLU A 21 1.357 12.222 5.400 1.00 0.00 C ATOM 391 C GLU A 21 0.750 13.189 4.380 1.00 0.00 C ATOM 392 O GLU A 21 1.164 13.242 3.238 1.00 0.00 O ATOM 393 CB GLU A 21 2.635 12.825 5.986 1.00 0.00 C ATOM 394 CG GLU A 21 2.279 14.048 6.834 1.00 0.00 C ATOM 395 CD GLU A 21 3.560 14.693 7.366 1.00 0.00 C ATOM 396 OE1 GLU A 21 4.628 14.199 7.042 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.451 15.669 8.090 1.00 0.00 O ATOM 0 H GLU A 21 2.533 10.928 4.175 1.00 0.00 H new ATOM 0 HA GLU A 21 0.643 12.047 6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.153 12.085 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.316 13.111 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.719 14.767 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.636 13.753 7.664 1.00 0.00 H new ATOM 404 N LYS A 22 -0.233 13.949 4.781 1.00 0.00 N ATOM 405 CA LYS A 22 -0.872 14.906 3.835 1.00 0.00 C ATOM 406 C LYS A 22 0.028 16.124 3.628 1.00 0.00 C ATOM 407 O LYS A 22 0.765 16.211 2.667 1.00 0.00 O ATOM 408 CB LYS A 22 -2.210 15.366 4.416 1.00 0.00 C ATOM 409 CG LYS A 22 -2.808 16.449 3.518 1.00 0.00 C ATOM 410 CD LYS A 22 -4.241 16.758 3.961 1.00 0.00 C ATOM 411 CE LYS A 22 -4.230 17.458 5.323 1.00 0.00 C ATOM 412 NZ LYS A 22 -3.213 18.548 5.318 1.00 0.00 N ATOM 0 H LYS A 22 -0.621 13.948 5.724 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.028 14.410 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.895 14.522 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.067 15.753 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.200 17.352 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.802 16.117 2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.730 17.392 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.818 15.835 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.216 17.868 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.003 16.739 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.435 19.234 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.270 18.144 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.224 19.028 4.396 1.00 0.00 H new ATOM 426 N GLY A 23 -0.035 17.070 4.522 1.00 0.00 N ATOM 427 CA GLY A 23 0.806 18.291 4.381 1.00 0.00 C ATOM 428 C GLY A 23 2.264 17.893 4.149 1.00 0.00 C ATOM 429 O GLY A 23 3.010 18.591 3.492 1.00 0.00 O ATOM 0 H GLY A 23 -0.635 17.050 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.448 18.896 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.726 18.905 5.278 1.00 0.00 H new ATOM 433 N GLY A 24 2.680 16.778 4.683 1.00 0.00 N ATOM 434 CA GLY A 24 4.092 16.344 4.490 1.00 0.00 C ATOM 435 C GLY A 24 4.347 16.083 3.001 1.00 0.00 C ATOM 436 O GLY A 24 3.450 15.713 2.271 1.00 0.00 O ATOM 0 H GLY A 24 2.104 16.150 5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.773 17.112 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.288 15.441 5.067 1.00 0.00 H new ATOM 440 N PRO A 25 5.564 16.266 2.549 1.00 0.00 N ATOM 441 CA PRO A 25 5.936 16.038 1.123 1.00 0.00 C ATOM 442 C PRO A 25 6.069 14.546 0.802 1.00 0.00 C ATOM 443 O PRO A 25 5.492 13.707 1.462 1.00 0.00 O ATOM 444 CB PRO A 25 7.290 16.736 0.996 1.00 0.00 C ATOM 445 CG PRO A 25 7.891 16.648 2.358 1.00 0.00 C ATOM 446 CD PRO A 25 6.725 16.711 3.345 1.00 0.00 C ATOM 0 HA PRO A 25 5.183 16.417 0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.920 16.246 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.173 17.773 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.452 15.721 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.590 17.467 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.893 16.062 4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.582 17.720 3.731 1.00 0.00 H new ATOM 454 N HIS A 26 6.832 14.211 -0.204 1.00 0.00 N ATOM 455 CA HIS A 26 7.008 12.776 -0.559 1.00 0.00 C ATOM 456 C HIS A 26 8.384 12.308 -0.078 1.00 0.00 C ATOM 457 O HIS A 26 9.378 12.981 -0.266 1.00 0.00 O ATOM 458 CB HIS A 26 6.917 12.609 -2.078 1.00 0.00 C ATOM 459 CG HIS A 26 5.508 12.873 -2.537 1.00 0.00 C ATOM 460 ND1 HIS A 26 4.580 11.852 -2.700 1.00 0.00 N ATOM 461 CD2 HIS A 26 4.855 14.030 -2.885 1.00 0.00 C ATOM 462 CE1 HIS A 26 3.433 12.409 -3.131 1.00 0.00 C ATOM 463 NE2 HIS A 26 3.549 13.732 -3.257 1.00 0.00 N ATOM 0 H HIS A 26 7.340 14.870 -0.794 1.00 0.00 H new ATOM 0 HA HIS A 26 6.228 12.182 -0.083 1.00 0.00 H new ATOM 0 HB2 HIS A 26 7.604 13.297 -2.570 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.218 11.600 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.289 15.019 -2.872 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.532 11.855 -3.348 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.830 14.388 -3.562 1.00 0.00 H new ATOM 472 N LYS A 27 8.447 11.159 0.542 1.00 0.00 N ATOM 473 CA LYS A 27 9.758 10.646 1.038 1.00 0.00 C ATOM 474 C LYS A 27 9.940 9.199 0.581 1.00 0.00 C ATOM 475 O LYS A 27 9.048 8.384 0.701 1.00 0.00 O ATOM 476 CB LYS A 27 9.780 10.709 2.570 1.00 0.00 C ATOM 477 CG LYS A 27 11.164 10.310 3.097 1.00 0.00 C ATOM 478 CD LYS A 27 12.128 11.495 2.983 1.00 0.00 C ATOM 479 CE LYS A 27 13.431 11.163 3.712 1.00 0.00 C ATOM 480 NZ LYS A 27 14.300 12.374 3.752 1.00 0.00 N ATOM 0 H LYS A 27 7.647 10.554 0.726 1.00 0.00 H new ATOM 0 HA LYS A 27 10.568 11.257 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.533 11.717 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.021 10.043 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.088 9.990 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.548 9.462 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.331 11.713 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.676 12.389 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.217 10.822 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.947 10.348 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.186 12.149 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.514 12.680 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.807 13.139 4.255 1.00 0.00 H new ATOM 494 N VAL A 28 11.088 8.872 0.052 1.00 0.00 N ATOM 495 CA VAL A 28 11.321 7.477 -0.415 1.00 0.00 C ATOM 496 C VAL A 28 10.207 7.081 -1.384 1.00 0.00 C ATOM 497 O VAL A 28 10.334 7.225 -2.583 1.00 0.00 O ATOM 498 CB VAL A 28 11.321 6.526 0.784 1.00 0.00 C ATOM 499 CG1 VAL A 28 11.447 5.084 0.290 1.00 0.00 C ATOM 500 CG2 VAL A 28 12.504 6.857 1.696 1.00 0.00 C ATOM 0 H VAL A 28 11.873 9.510 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 28 12.285 7.416 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 28 10.390 6.640 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.447 4.406 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.606 4.848 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.378 4.969 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.505 6.180 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.435 6.742 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.416 7.885 2.047 1.00 0.00 H new ATOM 510 N GLY A 29 9.113 6.588 -0.870 1.00 0.00 N ATOM 511 CA GLY A 29 7.985 6.189 -1.760 1.00 0.00 C ATOM 512 C GLY A 29 6.883 7.248 -1.686 1.00 0.00 C ATOM 513 O GLY A 29 6.801 8.006 -0.739 1.00 0.00 O ATOM 0 H GLY A 29 8.951 6.444 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.336 6.084 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.593 5.218 -1.457 1.00 0.00 H new ATOM 517 N PRO A 30 6.041 7.296 -2.682 1.00 0.00 N ATOM 518 CA PRO A 30 4.915 8.276 -2.751 1.00 0.00 C ATOM 519 C PRO A 30 3.983 8.180 -1.536 1.00 0.00 C ATOM 520 O PRO A 30 3.782 7.120 -0.981 1.00 0.00 O ATOM 521 CB PRO A 30 4.170 7.896 -4.038 1.00 0.00 C ATOM 522 CG PRO A 30 4.638 6.523 -4.385 1.00 0.00 C ATOM 523 CD PRO A 30 6.066 6.422 -3.860 1.00 0.00 C ATOM 0 HA PRO A 30 5.276 9.304 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.091 7.915 -3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.391 8.600 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.000 5.766 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.606 6.360 -5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.329 5.397 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.793 6.759 -4.599 1.00 0.00 H new ATOM 531 N ASN A 31 3.424 9.282 -1.117 1.00 0.00 N ATOM 532 CA ASN A 31 2.516 9.260 0.067 1.00 0.00 C ATOM 533 C ASN A 31 1.172 8.632 -0.315 1.00 0.00 C ATOM 534 O ASN A 31 0.601 8.936 -1.343 1.00 0.00 O ATOM 535 CB ASN A 31 2.283 10.693 0.549 1.00 0.00 C ATOM 536 CG ASN A 31 3.627 11.378 0.808 1.00 0.00 C ATOM 537 OD1 ASN A 31 4.552 10.747 1.478 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 3.838 12.500 0.393 1.00 0.00 N flip ATOM 0 H ASN A 31 3.557 10.199 -1.544 1.00 0.00 H new ATOM 0 HA ASN A 31 2.975 8.670 0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.718 11.250 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.686 10.687 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.116 12.994 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.737 12.948 0.568 1.00 0.00 H new ATOM 545 N LEU A 32 0.658 7.763 0.515 1.00 0.00 N ATOM 546 CA LEU A 32 -0.652 7.114 0.215 1.00 0.00 C ATOM 547 C LEU A 32 -1.772 7.855 0.951 1.00 0.00 C ATOM 548 O LEU A 32 -2.888 7.383 1.037 1.00 0.00 O ATOM 549 CB LEU A 32 -0.626 5.654 0.677 1.00 0.00 C ATOM 550 CG LEU A 32 0.316 4.838 -0.216 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.751 4.951 0.299 1.00 0.00 C ATOM 552 CD2 LEU A 32 -0.113 3.370 -0.194 1.00 0.00 C ATOM 0 H LEU A 32 1.091 7.474 1.392 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.831 7.152 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.296 5.598 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.631 5.234 0.639 1.00 0.00 H new ATOM 0 HG LEU A 32 0.268 5.224 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.414 4.369 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.061 5.996 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.803 4.569 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.554 2.786 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.066 2.992 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.134 3.284 -0.566 1.00 0.00 H new ATOM 564 N HIS A 33 -1.481 9.003 1.495 1.00 0.00 N ATOM 565 CA HIS A 33 -2.525 9.766 2.241 1.00 0.00 C ATOM 566 C HIS A 33 -3.779 9.931 1.376 1.00 0.00 C ATOM 567 O HIS A 33 -4.883 9.968 1.880 1.00 0.00 O ATOM 568 CB HIS A 33 -1.978 11.146 2.611 1.00 0.00 C ATOM 569 CG HIS A 33 -1.774 11.957 1.361 1.00 0.00 C ATOM 570 ND1 HIS A 33 -0.724 11.719 0.486 1.00 0.00 N ATOM 571 CD2 HIS A 33 -2.478 13.007 0.825 1.00 0.00 C ATOM 572 CE1 HIS A 33 -0.824 12.608 -0.520 1.00 0.00 C ATOM 573 NE2 HIS A 33 -1.875 13.413 -0.360 1.00 0.00 N ATOM 0 H HIS A 33 -0.564 9.448 1.456 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.787 9.217 3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.672 11.657 3.279 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.035 11.043 3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.363 13.449 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.139 12.662 -1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.174 14.168 -0.977 1.00 0.00 H new ATOM 582 N GLY A 34 -3.621 10.034 0.085 1.00 0.00 N ATOM 583 CA GLY A 34 -4.814 10.204 -0.797 1.00 0.00 C ATOM 584 C GLY A 34 -4.671 9.323 -2.041 1.00 0.00 C ATOM 585 O GLY A 34 -4.729 9.801 -3.156 1.00 0.00 O ATOM 0 H GLY A 34 -2.723 10.008 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.720 9.937 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.915 11.249 -1.090 1.00 0.00 H new ATOM 589 N ILE A 35 -4.485 8.043 -1.857 1.00 0.00 N ATOM 590 CA ILE A 35 -4.336 7.131 -3.027 1.00 0.00 C ATOM 591 C ILE A 35 -5.549 6.200 -3.125 1.00 0.00 C ATOM 592 O ILE A 35 -5.614 5.342 -3.981 1.00 0.00 O ATOM 593 CB ILE A 35 -3.063 6.302 -2.861 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.763 5.554 -4.163 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.250 5.292 -1.730 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.320 5.057 -4.137 1.00 0.00 C ATOM 0 H ILE A 35 -4.430 7.589 -0.945 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.272 7.723 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.232 6.966 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.447 4.714 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.918 6.212 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.340 4.703 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.460 5.821 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.083 4.630 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.102 4.524 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.644 5.907 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.182 4.385 -3.290 1.00 0.00 H new ATOM 608 N PHE A 36 -6.510 6.354 -2.257 1.00 0.00 N ATOM 609 CA PHE A 36 -7.707 5.467 -2.314 1.00 0.00 C ATOM 610 C PHE A 36 -8.693 5.987 -3.359 1.00 0.00 C ATOM 611 O PHE A 36 -9.057 7.147 -3.364 1.00 0.00 O ATOM 612 CB PHE A 36 -8.385 5.438 -0.944 1.00 0.00 C ATOM 613 CG PHE A 36 -7.623 4.520 -0.019 1.00 0.00 C ATOM 614 CD1 PHE A 36 -7.862 3.143 -0.058 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.681 5.043 0.877 1.00 0.00 C ATOM 616 CE1 PHE A 36 -7.161 2.285 0.796 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.981 4.183 1.733 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.222 2.804 1.691 1.00 0.00 C ATOM 0 H PHE A 36 -6.519 7.052 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.393 4.460 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.422 6.443 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.415 5.096 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.589 2.741 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.495 6.106 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.346 1.221 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.255 4.583 2.425 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.682 2.141 2.351 1.00 0.00 H new ATOM 628 N GLY A 37 -9.131 5.132 -4.245 1.00 0.00 N ATOM 629 CA GLY A 37 -10.097 5.572 -5.291 1.00 0.00 C ATOM 630 C GLY A 37 -9.399 6.531 -6.252 1.00 0.00 C ATOM 631 O GLY A 37 -10.008 7.432 -6.796 1.00 0.00 O ATOM 0 H GLY A 37 -8.861 4.149 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.480 4.708 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.953 6.062 -4.828 1.00 0.00 H new ATOM 635 N ARG A 38 -8.122 6.358 -6.457 1.00 0.00 N ATOM 636 CA ARG A 38 -7.390 7.274 -7.376 1.00 0.00 C ATOM 637 C ARG A 38 -6.292 6.510 -8.118 1.00 0.00 C ATOM 638 O ARG A 38 -5.963 5.389 -7.785 1.00 0.00 O ATOM 639 CB ARG A 38 -6.769 8.415 -6.569 1.00 0.00 C ATOM 640 CG ARG A 38 -7.881 9.258 -5.942 1.00 0.00 C ATOM 641 CD ARG A 38 -7.272 10.477 -5.249 1.00 0.00 C ATOM 642 NE ARG A 38 -8.323 11.178 -4.461 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.988 12.102 -3.602 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.733 12.415 -3.436 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.910 12.713 -2.908 1.00 0.00 N ATOM 0 H ARG A 38 -7.556 5.625 -6.030 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.090 7.681 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.119 8.013 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.147 9.035 -7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.585 9.578 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.442 8.661 -5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.458 10.167 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.846 11.154 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.305 10.936 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.012 11.938 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.472 13.137 -2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.892 12.468 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.648 13.435 -2.237 1.00 0.00 H new ATOM 659 N HIS A 39 -5.721 7.115 -9.126 1.00 0.00 N ATOM 660 CA HIS A 39 -4.644 6.436 -9.897 1.00 0.00 C ATOM 661 C HIS A 39 -3.281 6.845 -9.333 1.00 0.00 C ATOM 662 O HIS A 39 -3.140 7.879 -8.711 1.00 0.00 O ATOM 663 CB HIS A 39 -4.732 6.852 -11.367 1.00 0.00 C ATOM 664 CG HIS A 39 -6.037 6.380 -11.945 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.174 7.176 -11.954 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.404 5.195 -12.538 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.162 6.469 -12.535 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.742 5.259 -12.908 1.00 0.00 N ATOM 0 H HIS A 39 -5.957 8.054 -9.448 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.763 5.355 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.654 7.936 -11.454 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.899 6.426 -11.927 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.754 4.347 -12.692 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.167 6.835 -12.681 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.289 4.532 -13.369 1.00 0.00 H new ATOM 677 N SER A 40 -2.278 6.035 -9.535 1.00 0.00 N ATOM 678 CA SER A 40 -0.927 6.374 -8.999 1.00 0.00 C ATOM 679 C SER A 40 -0.466 7.716 -9.571 1.00 0.00 C ATOM 680 O SER A 40 0.128 8.523 -8.884 1.00 0.00 O ATOM 681 CB SER A 40 0.062 5.287 -9.419 1.00 0.00 C ATOM 682 OG SER A 40 0.311 5.398 -10.813 1.00 0.00 O ATOM 0 H SER A 40 -2.334 5.155 -10.047 1.00 0.00 H new ATOM 0 HA SER A 40 -0.974 6.440 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.993 5.390 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.341 4.301 -9.186 1.00 0.00 H new ATOM 0 HG SER A 40 1.085 4.846 -11.052 1.00 0.00 H new ATOM 688 N GLY A 41 -0.732 7.956 -10.822 1.00 0.00 N ATOM 689 CA GLY A 41 -0.309 9.243 -11.444 1.00 0.00 C ATOM 690 C GLY A 41 -1.059 10.412 -10.798 1.00 0.00 C ATOM 691 O GLY A 41 -0.541 11.504 -10.682 1.00 0.00 O ATOM 0 H GLY A 41 -1.225 7.316 -11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.766 9.379 -11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.508 9.221 -12.515 1.00 0.00 H new ATOM 695 N GLN A 42 -2.281 10.195 -10.395 1.00 0.00 N ATOM 696 CA GLN A 42 -3.077 11.296 -9.774 1.00 0.00 C ATOM 697 C GLN A 42 -2.364 11.849 -8.535 1.00 0.00 C ATOM 698 O GLN A 42 -2.415 13.032 -8.262 1.00 0.00 O ATOM 699 CB GLN A 42 -4.454 10.763 -9.373 1.00 0.00 C ATOM 700 CG GLN A 42 -5.342 11.928 -8.931 1.00 0.00 C ATOM 701 CD GLN A 42 -6.751 11.415 -8.626 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.073 10.281 -8.922 1.00 0.00 O ATOM 703 NE2 GLN A 42 -7.608 12.205 -8.042 1.00 0.00 N ATOM 0 H GLN A 42 -2.765 9.300 -10.469 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.186 12.101 -10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.912 10.240 -10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.354 10.040 -8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.919 12.405 -8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.382 12.685 -9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.337 13.157 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.549 11.871 -7.833 1.00 0.00 H new ATOM 712 N ALA A 43 -1.709 11.014 -7.776 1.00 0.00 N ATOM 713 CA ALA A 43 -1.015 11.518 -6.554 1.00 0.00 C ATOM 714 C ALA A 43 0.016 12.578 -6.947 1.00 0.00 C ATOM 715 O ALA A 43 0.277 13.506 -6.205 1.00 0.00 O ATOM 716 CB ALA A 43 -0.307 10.359 -5.847 1.00 0.00 C ATOM 0 H ALA A 43 -1.624 10.012 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.751 11.958 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.198 10.731 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.040 9.605 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.426 9.915 -6.521 1.00 0.00 H new ATOM 722 N GLU A 44 0.602 12.453 -8.105 1.00 0.00 N ATOM 723 CA GLU A 44 1.615 13.457 -8.539 1.00 0.00 C ATOM 724 C GLU A 44 2.537 13.794 -7.364 1.00 0.00 C ATOM 725 O GLU A 44 2.543 13.119 -6.353 1.00 0.00 O ATOM 726 CB GLU A 44 0.906 14.731 -9.005 1.00 0.00 C ATOM 727 CG GLU A 44 0.001 14.413 -10.198 1.00 0.00 C ATOM 728 CD GLU A 44 0.848 13.905 -11.365 1.00 0.00 C ATOM 729 OE1 GLU A 44 2.043 14.149 -11.356 1.00 0.00 O ATOM 730 OE2 GLU A 44 0.286 13.284 -12.252 1.00 0.00 O ATOM 0 H GLU A 44 0.424 11.700 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 44 2.203 13.045 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.315 15.149 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.641 15.486 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.737 13.661 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.550 15.305 -10.497 1.00 0.00 H new ATOM 737 N GLY A 45 3.314 14.833 -7.490 1.00 0.00 N ATOM 738 CA GLY A 45 4.233 15.216 -6.379 1.00 0.00 C ATOM 739 C GLY A 45 5.479 14.330 -6.414 1.00 0.00 C ATOM 740 O GLY A 45 6.585 14.794 -6.223 1.00 0.00 O ATOM 0 H GLY A 45 3.353 15.434 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.517 16.264 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.725 15.109 -5.420 1.00 0.00 H new ATOM 744 N TYR A 46 5.305 13.057 -6.652 1.00 0.00 N ATOM 745 CA TYR A 46 6.477 12.134 -6.697 1.00 0.00 C ATOM 746 C TYR A 46 6.503 11.413 -8.048 1.00 0.00 C ATOM 747 O TYR A 46 5.489 10.956 -8.536 1.00 0.00 O ATOM 748 CB TYR A 46 6.357 11.108 -5.568 1.00 0.00 C ATOM 749 CG TYR A 46 7.606 10.261 -5.521 1.00 0.00 C ATOM 750 CD1 TYR A 46 8.755 10.746 -4.885 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.616 8.992 -6.114 1.00 0.00 C ATOM 752 CE1 TYR A 46 9.914 9.963 -4.842 1.00 0.00 C ATOM 753 CE2 TYR A 46 8.776 8.210 -6.071 1.00 0.00 C ATOM 754 CZ TYR A 46 9.925 8.695 -5.435 1.00 0.00 C ATOM 755 OH TYR A 46 11.068 7.922 -5.391 1.00 0.00 O ATOM 0 H TYR A 46 4.400 12.616 -6.817 1.00 0.00 H new ATOM 0 HA TYR A 46 7.398 12.703 -6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.214 11.616 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.483 10.477 -5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.747 11.724 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.729 8.617 -6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.800 10.337 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.785 7.232 -6.529 1.00 0.00 H new ATOM 0 HH TYR A 46 11.145 7.502 -4.509 1.00 0.00 H new ATOM 765 N SER A 47 7.654 11.309 -8.654 1.00 0.00 N ATOM 766 CA SER A 47 7.740 10.620 -9.973 1.00 0.00 C ATOM 767 C SER A 47 7.493 9.122 -9.783 1.00 0.00 C ATOM 768 O SER A 47 7.636 8.594 -8.699 1.00 0.00 O ATOM 769 CB SER A 47 9.131 10.836 -10.570 1.00 0.00 C ATOM 770 OG SER A 47 10.074 10.041 -9.862 1.00 0.00 O ATOM 0 H SER A 47 8.537 11.671 -8.294 1.00 0.00 H new ATOM 0 HA SER A 47 6.987 11.029 -10.647 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.132 10.567 -11.626 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.406 11.889 -10.509 1.00 0.00 H new ATOM 0 HG SER A 47 10.967 10.175 -10.243 1.00 0.00 H new ATOM 776 N TYR A 48 7.123 8.435 -10.832 1.00 0.00 N ATOM 777 CA TYR A 48 6.862 6.970 -10.721 1.00 0.00 C ATOM 778 C TYR A 48 7.831 6.200 -11.618 1.00 0.00 C ATOM 779 O TYR A 48 8.220 6.662 -12.673 1.00 0.00 O ATOM 780 CB TYR A 48 5.424 6.672 -11.147 1.00 0.00 C ATOM 781 CG TYR A 48 4.470 7.264 -10.139 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.147 6.545 -8.983 1.00 0.00 C ATOM 783 CD2 TYR A 48 3.912 8.528 -10.358 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.264 7.091 -8.044 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.028 9.075 -9.419 1.00 0.00 C ATOM 786 CZ TYR A 48 2.705 8.355 -8.260 1.00 0.00 C ATOM 787 OH TYR A 48 1.836 8.893 -7.334 1.00 0.00 O ATOM 0 H TYR A 48 6.990 8.827 -11.764 1.00 0.00 H new ATOM 0 HA TYR A 48 7.007 6.658 -9.687 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.232 7.090 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.271 5.595 -11.221 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.579 5.569 -8.815 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.163 9.082 -11.251 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.014 6.536 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.596 10.050 -9.588 1.00 0.00 H new ATOM 0 HH TYR A 48 0.925 8.586 -7.523 1.00 0.00 H new ATOM 797 N THR A 49 8.222 5.026 -11.205 1.00 0.00 N ATOM 798 CA THR A 49 9.162 4.217 -12.028 1.00 0.00 C ATOM 799 C THR A 49 8.444 3.730 -13.288 1.00 0.00 C ATOM 800 O THR A 49 7.241 3.558 -13.302 1.00 0.00 O ATOM 801 CB THR A 49 9.648 3.012 -11.219 1.00 0.00 C ATOM 802 OG1 THR A 49 10.237 3.465 -10.007 1.00 0.00 O ATOM 803 CG2 THR A 49 10.683 2.232 -12.030 1.00 0.00 C ATOM 0 H THR A 49 7.929 4.591 -10.330 1.00 0.00 H new ATOM 0 HA THR A 49 10.018 4.831 -12.310 1.00 0.00 H new ATOM 0 HB THR A 49 8.803 2.361 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.650 2.708 -9.541 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.027 1.375 -11.452 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.231 1.885 -12.959 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.530 2.879 -12.258 1.00 0.00 H new ATOM 811 N ASP A 50 9.173 3.517 -14.346 1.00 0.00 N ATOM 812 CA ASP A 50 8.538 3.051 -15.610 1.00 0.00 C ATOM 813 C ASP A 50 7.593 1.882 -15.315 1.00 0.00 C ATOM 814 O ASP A 50 6.581 1.712 -15.965 1.00 0.00 O ATOM 815 CB ASP A 50 9.623 2.594 -16.584 1.00 0.00 C ATOM 816 CG ASP A 50 10.429 3.806 -17.054 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.000 4.916 -16.792 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.465 3.601 -17.667 1.00 0.00 O ATOM 0 H ASP A 50 10.184 3.646 -14.391 1.00 0.00 H new ATOM 0 HA ASP A 50 7.970 3.870 -16.051 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.281 1.872 -16.100 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.171 2.091 -17.439 1.00 0.00 H new ATOM 823 N ALA A 51 7.920 1.069 -14.350 1.00 0.00 N ATOM 824 CA ALA A 51 7.045 -0.095 -14.024 1.00 0.00 C ATOM 825 C ALA A 51 5.588 0.356 -13.879 1.00 0.00 C ATOM 826 O ALA A 51 4.743 0.016 -14.685 1.00 0.00 O ATOM 827 CB ALA A 51 7.512 -0.725 -12.711 1.00 0.00 C ATOM 0 H ALA A 51 8.755 1.159 -13.772 1.00 0.00 H new ATOM 0 HA ALA A 51 7.110 -0.824 -14.832 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.875 -1.576 -12.469 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.543 -1.062 -12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.451 0.013 -11.911 1.00 0.00 H new ATOM 833 N ASN A 52 5.277 1.109 -12.856 1.00 0.00 N ATOM 834 CA ASN A 52 3.867 1.562 -12.668 1.00 0.00 C ATOM 835 C ASN A 52 3.381 2.316 -13.910 1.00 0.00 C ATOM 836 O ASN A 52 2.264 2.139 -14.353 1.00 0.00 O ATOM 837 CB ASN A 52 3.779 2.486 -11.449 1.00 0.00 C ATOM 838 CG ASN A 52 2.329 2.945 -11.255 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.976 4.042 -11.639 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.466 2.155 -10.667 1.00 0.00 N ATOM 0 H ASN A 52 5.935 1.429 -12.146 1.00 0.00 H new ATOM 0 HA ASN A 52 3.237 0.686 -12.512 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.128 1.964 -10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.429 3.350 -11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.502 2.462 -10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.757 1.233 -10.343 1.00 0.00 H new ATOM 847 N ILE A 53 4.201 3.156 -14.479 1.00 0.00 N ATOM 848 CA ILE A 53 3.768 3.909 -15.684 1.00 0.00 C ATOM 849 C ILE A 53 3.428 2.930 -16.809 1.00 0.00 C ATOM 850 O ILE A 53 2.426 3.067 -17.481 1.00 0.00 O ATOM 851 CB ILE A 53 4.897 4.834 -16.129 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.227 5.813 -14.999 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.456 5.612 -17.362 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.441 6.657 -15.392 1.00 0.00 C ATOM 0 H ILE A 53 5.150 3.352 -14.161 1.00 0.00 H new ATOM 0 HA ILE A 53 2.883 4.500 -15.448 1.00 0.00 H new ATOM 0 HB ILE A 53 5.781 4.243 -16.368 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.371 6.458 -14.801 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.433 5.266 -14.079 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.261 6.274 -17.682 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.218 4.915 -18.166 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.573 6.204 -17.122 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.676 7.354 -14.587 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.296 6.004 -15.568 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.217 7.215 -16.301 1.00 0.00 H new ATOM 866 N LYS A 54 4.250 1.936 -17.016 1.00 0.00 N ATOM 867 CA LYS A 54 3.964 0.948 -18.093 1.00 0.00 C ATOM 868 C LYS A 54 2.611 0.295 -17.815 1.00 0.00 C ATOM 869 O LYS A 54 1.843 0.019 -18.714 1.00 0.00 O ATOM 870 CB LYS A 54 5.056 -0.123 -18.113 1.00 0.00 C ATOM 871 CG LYS A 54 4.842 -1.049 -19.314 1.00 0.00 C ATOM 872 CD LYS A 54 5.901 -2.153 -19.303 1.00 0.00 C ATOM 873 CE LYS A 54 5.795 -2.974 -20.590 1.00 0.00 C ATOM 874 NZ LYS A 54 5.399 -4.371 -20.259 1.00 0.00 N ATOM 0 H LYS A 54 5.105 1.767 -16.486 1.00 0.00 H new ATOM 0 HA LYS A 54 3.942 1.451 -19.060 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.038 0.345 -18.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.032 -0.699 -17.188 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.845 -1.487 -19.276 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.905 -0.480 -20.241 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.896 -1.716 -19.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.761 -2.798 -18.435 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.061 -2.526 -21.260 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.750 -2.971 -21.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.327 -4.928 -21.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.115 -4.796 -19.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.478 -4.366 -19.776 1.00 0.00 H new ATOM 888 N LYS A 55 2.317 0.057 -16.565 1.00 0.00 N ATOM 889 CA LYS A 55 1.015 -0.567 -16.202 1.00 0.00 C ATOM 890 C LYS A 55 0.329 0.305 -15.150 1.00 0.00 C ATOM 891 O LYS A 55 0.785 0.413 -14.030 1.00 0.00 O ATOM 892 CB LYS A 55 1.268 -1.963 -15.628 1.00 0.00 C ATOM 893 CG LYS A 55 -0.066 -2.625 -15.272 1.00 0.00 C ATOM 894 CD LYS A 55 0.196 -4.009 -14.675 1.00 0.00 C ATOM 895 CE LYS A 55 -1.134 -4.735 -14.466 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.264 -5.130 -13.035 1.00 0.00 N ATOM 0 H LYS A 55 2.928 0.270 -15.776 1.00 0.00 H new ATOM 0 HA LYS A 55 0.379 -0.650 -17.083 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.805 -2.573 -16.354 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.898 -1.893 -14.741 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.612 -2.007 -14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.690 -2.713 -16.162 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.838 -4.588 -15.339 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.723 -3.913 -13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.963 -4.088 -14.753 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.183 -5.617 -15.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.168 -5.624 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.480 -5.762 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.235 -4.280 -12.436 1.00 0.00 H new ATOM 910 N ASN A 56 -0.762 0.926 -15.499 1.00 0.00 N ATOM 911 CA ASN A 56 -1.466 1.790 -14.512 1.00 0.00 C ATOM 912 C ASN A 56 -2.616 1.007 -13.887 1.00 0.00 C ATOM 913 O ASN A 56 -3.365 0.332 -14.566 1.00 0.00 O ATOM 914 CB ASN A 56 -2.016 3.037 -15.210 1.00 0.00 C ATOM 915 CG ASN A 56 -2.340 4.101 -14.161 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.145 3.836 -12.896 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -2.777 5.186 -14.493 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.195 0.873 -16.421 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.765 2.096 -13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.285 3.422 -15.921 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.912 2.785 -15.778 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.930 5.394 -15.480 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.991 5.888 -13.785 1.00 0.00 H new ATOM 924 N VAL A 57 -2.754 1.084 -12.593 1.00 0.00 N ATOM 925 CA VAL A 57 -3.846 0.338 -11.910 1.00 0.00 C ATOM 926 C VAL A 57 -4.597 1.276 -10.966 1.00 0.00 C ATOM 927 O VAL A 57 -4.023 2.161 -10.363 1.00 0.00 O ATOM 928 CB VAL A 57 -3.238 -0.808 -11.104 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.318 -0.233 -10.026 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.357 -1.615 -10.442 1.00 0.00 C ATOM 0 H VAL A 57 -2.155 1.634 -11.977 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.539 -0.057 -12.653 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.665 -1.458 -11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.882 -1.047 -9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.523 0.345 -10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.893 0.414 -9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.924 -2.433 -9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.929 -0.967 -9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.016 -2.020 -11.210 1.00 0.00 H new ATOM 940 N LEU A 58 -5.880 1.081 -10.823 1.00 0.00 N ATOM 941 CA LEU A 58 -6.666 1.952 -9.908 1.00 0.00 C ATOM 942 C LEU A 58 -6.459 1.472 -8.475 1.00 0.00 C ATOM 943 O LEU A 58 -6.540 0.293 -8.189 1.00 0.00 O ATOM 944 CB LEU A 58 -8.152 1.868 -10.269 1.00 0.00 C ATOM 945 CG LEU A 58 -8.964 2.751 -9.317 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.558 4.213 -9.500 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.455 2.595 -9.630 1.00 0.00 C ATOM 0 H LEU A 58 -6.416 0.356 -11.301 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.334 2.986 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.305 2.190 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.494 0.835 -10.204 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.771 2.448 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.137 4.839 -8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.496 4.326 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.750 4.518 -10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.036 3.222 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.644 2.898 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.747 1.553 -9.499 1.00 0.00 H new ATOM 959 N TRP A 59 -6.186 2.368 -7.570 1.00 0.00 N ATOM 960 CA TRP A 59 -5.966 1.940 -6.163 1.00 0.00 C ATOM 961 C TRP A 59 -7.269 2.067 -5.374 1.00 0.00 C ATOM 962 O TRP A 59 -7.880 3.119 -5.311 1.00 0.00 O ATOM 963 CB TRP A 59 -4.889 2.815 -5.523 1.00 0.00 C ATOM 964 CG TRP A 59 -3.578 2.538 -6.183 1.00 0.00 C ATOM 965 CD1 TRP A 59 -2.958 3.368 -7.048 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.720 1.370 -6.050 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.777 2.782 -7.463 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.584 1.548 -6.874 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.816 0.182 -5.305 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.579 0.585 -6.957 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.806 -0.788 -5.384 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.691 -0.588 -6.209 1.00 0.00 C ATOM 0 H TRP A 59 -6.106 3.370 -7.742 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.640 0.900 -6.151 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.148 3.868 -5.629 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.823 2.609 -4.455 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.325 4.333 -7.364 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.127 3.209 -8.124 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.672 0.015 -4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.278 0.745 -7.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.888 -1.696 -4.805 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.081 -1.341 -6.266 1.00 0.00 H new ATOM 983 N ASP A 60 -7.682 0.990 -4.769 1.00 0.00 N ATOM 984 CA ASP A 60 -8.933 0.991 -3.962 1.00 0.00 C ATOM 985 C ASP A 60 -8.761 -0.007 -2.816 1.00 0.00 C ATOM 986 O ASP A 60 -7.879 -0.838 -2.841 1.00 0.00 O ATOM 987 CB ASP A 60 -10.112 0.569 -4.841 1.00 0.00 C ATOM 988 CG ASP A 60 -11.421 0.792 -4.081 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.363 1.336 -2.990 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.458 0.415 -4.600 1.00 0.00 O ATOM 0 H ASP A 60 -7.197 0.093 -4.800 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.129 1.988 -3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.114 1.145 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.015 -0.480 -5.119 1.00 0.00 H new ATOM 995 N GLU A 61 -9.583 0.066 -1.809 1.00 0.00 N ATOM 996 CA GLU A 61 -9.428 -0.885 -0.672 1.00 0.00 C ATOM 997 C GLU A 61 -9.392 -2.319 -1.207 1.00 0.00 C ATOM 998 O GLU A 61 -8.616 -3.139 -0.758 1.00 0.00 O ATOM 999 CB GLU A 61 -10.614 -0.728 0.281 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.628 0.693 0.846 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.784 0.840 1.837 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.559 -0.094 1.954 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.876 1.884 2.460 1.00 0.00 O ATOM 0 H GLU A 61 -10.348 0.735 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.500 -0.673 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.547 -0.931 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.541 -1.453 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.681 0.907 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.735 1.416 0.037 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.217 -2.625 -2.168 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.221 -4.004 -2.736 1.00 0.00 C ATOM 1012 C ASN A 62 -8.918 -4.265 -3.498 1.00 0.00 C ATOM 1013 O ASN A 62 -8.281 -5.288 -3.329 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.400 -4.147 -3.700 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.405 -5.556 -4.293 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.946 -6.473 -3.707 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.812 -5.767 -5.436 1.00 0.00 N ATOM 0 H ASN A 62 -10.889 -1.981 -2.586 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.311 -4.724 -1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.337 -3.958 -3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.325 -3.406 -4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.802 -6.704 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.359 -4.995 -5.926 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.530 -3.356 -4.346 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.281 -3.549 -5.137 1.00 0.00 C ATOM 1026 C ASN A 63 -6.066 -3.658 -4.213 1.00 0.00 C ATOM 1027 O ASN A 63 -5.164 -4.433 -4.454 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.100 -2.367 -6.088 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.998 -2.688 -7.100 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -6.121 -3.613 -7.877 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.917 -1.955 -7.124 1.00 0.00 N ATOM 0 H ASN A 63 -9.025 -2.483 -4.527 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.364 -4.475 -5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.035 -2.158 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.841 -1.470 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.177 -2.160 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.813 -1.178 -6.472 1.00 0.00 H new ATOM 1038 N MET A 64 -6.027 -2.886 -3.165 1.00 0.00 N ATOM 1039 CA MET A 64 -4.854 -2.953 -2.245 1.00 0.00 C ATOM 1040 C MET A 64 -4.722 -4.364 -1.675 1.00 0.00 C ATOM 1041 O MET A 64 -3.632 -4.875 -1.519 1.00 0.00 O ATOM 1042 CB MET A 64 -5.026 -1.947 -1.108 1.00 0.00 C ATOM 1043 CG MET A 64 -4.895 -0.533 -1.672 1.00 0.00 C ATOM 1044 SD MET A 64 -4.903 0.674 -0.328 1.00 0.00 S ATOM 1045 CE MET A 64 -4.734 2.146 -1.368 1.00 0.00 C ATOM 0 H MET A 64 -6.750 -2.215 -2.905 1.00 0.00 H new ATOM 0 HA MET A 64 -3.950 -2.708 -2.802 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.000 -2.075 -0.636 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.273 -2.117 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.972 -0.445 -2.244 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.716 -0.329 -2.359 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.716 3.036 -0.739 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.806 2.085 -1.937 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.578 2.205 -2.055 1.00 0.00 H new ATOM 1055 N SER A 65 -5.815 -5.006 -1.370 1.00 0.00 N ATOM 1056 CA SER A 65 -5.719 -6.386 -0.818 1.00 0.00 C ATOM 1057 C SER A 65 -5.035 -7.287 -1.848 1.00 0.00 C ATOM 1058 O SER A 65 -4.207 -8.113 -1.517 1.00 0.00 O ATOM 1059 CB SER A 65 -7.121 -6.919 -0.524 1.00 0.00 C ATOM 1060 OG SER A 65 -7.822 -7.099 -1.749 1.00 0.00 O ATOM 0 H SER A 65 -6.761 -4.640 -1.477 1.00 0.00 H new ATOM 0 HA SER A 65 -5.139 -6.374 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.058 -7.865 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.660 -6.222 0.118 1.00 0.00 H new ATOM 0 HG SER A 65 -8.261 -6.260 -2.001 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.360 -7.124 -3.099 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.715 -7.960 -4.149 1.00 0.00 C ATOM 1068 C GLU A 66 -3.231 -7.600 -4.234 1.00 0.00 C ATOM 1069 O GLU A 66 -2.389 -8.439 -4.486 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.385 -7.694 -5.498 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.821 -8.654 -6.547 1.00 0.00 C ATOM 1072 CD GLU A 66 -5.416 -8.320 -7.917 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.189 -7.379 -7.991 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -5.088 -9.011 -8.867 1.00 0.00 O ATOM 0 H GLU A 66 -6.044 -6.449 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.823 -9.015 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.464 -7.825 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.213 -6.662 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.734 -8.574 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.057 -9.683 -6.277 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.908 -6.352 -4.034 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.487 -5.919 -4.109 1.00 0.00 C ATOM 1083 C HIS A 67 -0.667 -6.648 -3.045 1.00 0.00 C ATOM 1084 O HIS A 67 0.412 -7.142 -3.307 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.414 -4.412 -3.861 1.00 0.00 C ATOM 1086 CG HIS A 67 -0.048 -3.907 -4.228 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.408 -3.917 -5.539 1.00 0.00 N ATOM 1088 CD2 HIS A 67 0.973 -3.374 -3.479 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.653 -3.405 -5.538 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.038 -3.062 -4.312 1.00 0.00 N ATOM 0 H HIS A 67 -3.574 -5.609 -3.820 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.085 -6.155 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.173 -3.899 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.624 -4.195 -2.814 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.106 -4.251 -6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.950 -3.222 -2.410 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.263 -3.288 -6.422 1.00 0.00 H new ATOM 1099 N LEU A 68 -1.169 -6.713 -1.845 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.425 -7.398 -0.758 1.00 0.00 C ATOM 1101 C LEU A 68 -0.271 -8.881 -1.089 1.00 0.00 C ATOM 1102 O LEU A 68 0.658 -9.522 -0.649 1.00 0.00 O ATOM 1103 CB LEU A 68 -1.180 -7.232 0.560 1.00 0.00 C ATOM 1104 CG LEU A 68 -1.408 -5.742 0.838 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -2.007 -5.560 2.232 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.078 -4.988 0.762 1.00 0.00 C ATOM 0 H LEU A 68 -2.068 -6.318 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 68 0.566 -6.954 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.136 -7.754 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.613 -7.682 1.375 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.095 -5.346 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.167 -4.499 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.960 -6.087 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.323 -5.964 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.248 -3.930 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.611 -5.390 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.351 -5.106 -0.233 1.00 0.00 H new ATOM 1118 N THR A 69 -1.164 -9.439 -1.854 1.00 0.00 N ATOM 1119 CA THR A 69 -1.026 -10.882 -2.195 1.00 0.00 C ATOM 1120 C THR A 69 -0.115 -11.013 -3.420 1.00 0.00 C ATOM 1121 O THR A 69 -0.347 -10.401 -4.444 1.00 0.00 O ATOM 1122 CB THR A 69 -2.402 -11.475 -2.512 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.317 -11.112 -1.488 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.295 -12.998 -2.584 1.00 0.00 C ATOM 0 H THR A 69 -1.975 -8.967 -2.254 1.00 0.00 H new ATOM 0 HA THR A 69 -0.595 -11.421 -1.351 1.00 0.00 H new ATOM 0 HB THR A 69 -2.754 -11.091 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.577 -10.174 -1.599 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.274 -13.421 -2.810 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.590 -13.277 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.945 -13.384 -1.627 1.00 0.00 H new ATOM 1132 N ASN A 70 0.918 -11.804 -3.323 1.00 0.00 N ATOM 1133 CA ASN A 70 1.845 -11.970 -4.481 1.00 0.00 C ATOM 1134 C ASN A 70 2.101 -10.609 -5.139 1.00 0.00 C ATOM 1135 O ASN A 70 1.820 -10.417 -6.306 1.00 0.00 O ATOM 1136 CB ASN A 70 1.211 -12.917 -5.504 1.00 0.00 C ATOM 1137 CG ASN A 70 1.183 -14.337 -4.937 1.00 0.00 C ATOM 1138 OD1 ASN A 70 0.920 -14.516 -3.672 1.00 0.00 O flip ATOM 1139 ND2 ASN A 70 1.401 -15.295 -5.653 1.00 0.00 N flip ATOM 0 H ASN A 70 1.161 -12.343 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 70 2.790 -12.384 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.199 -12.589 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.778 -12.897 -6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.607 -15.156 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.378 -16.238 -5.264 1.00 0.00 H new ATOM 1146 N PRO A 71 2.628 -9.670 -4.395 1.00 0.00 N ATOM 1147 CA PRO A 71 2.923 -8.301 -4.911 1.00 0.00 C ATOM 1148 C PRO A 71 3.958 -8.304 -6.041 1.00 0.00 C ATOM 1149 O PRO A 71 4.020 -7.388 -6.837 1.00 0.00 O ATOM 1150 CB PRO A 71 3.469 -7.546 -3.693 1.00 0.00 C ATOM 1151 CG PRO A 71 3.879 -8.595 -2.713 1.00 0.00 C ATOM 1152 CD PRO A 71 2.997 -9.811 -2.980 1.00 0.00 C ATOM 0 HA PRO A 71 2.032 -7.845 -5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.316 -6.918 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.710 -6.889 -3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.933 -8.847 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.751 -8.241 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.533 -10.742 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.118 -9.817 -2.336 1.00 0.00 H new ATOM 1160 N ALA A 72 4.777 -9.317 -6.116 1.00 0.00 N ATOM 1161 CA ALA A 72 5.805 -9.357 -7.194 1.00 0.00 C ATOM 1162 C ALA A 72 5.117 -9.347 -8.560 1.00 0.00 C ATOM 1163 O ALA A 72 5.456 -8.571 -9.431 1.00 0.00 O ATOM 1164 CB ALA A 72 6.643 -10.629 -7.056 1.00 0.00 C ATOM 0 H ALA A 72 4.779 -10.115 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 72 6.452 -8.484 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.394 -10.657 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.137 -10.636 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.996 -11.502 -7.140 1.00 0.00 H new ATOM 1170 N LYS A 73 4.146 -10.195 -8.752 1.00 0.00 N ATOM 1171 CA LYS A 73 3.432 -10.227 -10.060 1.00 0.00 C ATOM 1172 C LYS A 73 2.704 -8.898 -10.274 1.00 0.00 C ATOM 1173 O LYS A 73 2.521 -8.450 -11.388 1.00 0.00 O ATOM 1174 CB LYS A 73 2.421 -11.374 -10.063 1.00 0.00 C ATOM 1175 CG LYS A 73 3.163 -12.708 -9.965 1.00 0.00 C ATOM 1176 CD LYS A 73 2.164 -13.859 -10.081 1.00 0.00 C ATOM 1177 CE LYS A 73 2.889 -15.190 -9.870 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.701 -15.642 -8.461 1.00 0.00 N ATOM 0 H LYS A 73 3.815 -10.868 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 73 4.151 -10.380 -10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.731 -11.267 -9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.824 -11.344 -10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.909 -12.780 -10.756 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.697 -12.770 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.372 -13.743 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.688 -13.844 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.501 -15.941 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.951 -15.076 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.302 -16.471 -8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.966 -14.874 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.704 -15.896 -8.308 1.00 0.00 H new ATOM 1192 N TYR A 74 2.281 -8.268 -9.211 1.00 0.00 N ATOM 1193 CA TYR A 74 1.557 -6.972 -9.349 1.00 0.00 C ATOM 1194 C TYR A 74 2.395 -6.024 -10.212 1.00 0.00 C ATOM 1195 O TYR A 74 1.898 -5.405 -11.131 1.00 0.00 O ATOM 1196 CB TYR A 74 1.365 -6.370 -7.956 1.00 0.00 C ATOM 1197 CG TYR A 74 0.373 -5.234 -8.007 1.00 0.00 C ATOM 1198 CD1 TYR A 74 0.792 -3.954 -8.383 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -0.966 -5.457 -7.658 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -0.121 -2.898 -8.411 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -1.879 -4.396 -7.681 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.454 -3.117 -8.057 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.347 -2.068 -8.072 1.00 0.00 O ATOM 0 H TYR A 74 2.406 -8.595 -8.253 1.00 0.00 H new ATOM 0 HA TYR A 74 0.586 -7.125 -9.820 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.014 -7.137 -7.266 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.320 -6.010 -7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.824 -3.782 -8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.293 -6.446 -7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.204 -1.911 -8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.910 -4.565 -7.409 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.205 -1.506 -7.281 1.00 0.00 H new ATOM 1213 N ILE A 75 3.673 -5.932 -9.942 1.00 0.00 N ATOM 1214 CA ILE A 75 4.553 -5.051 -10.765 1.00 0.00 C ATOM 1215 C ILE A 75 5.898 -5.756 -10.967 1.00 0.00 C ATOM 1216 O ILE A 75 6.304 -6.560 -10.152 1.00 0.00 O ATOM 1217 CB ILE A 75 4.790 -3.712 -10.055 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.948 -3.937 -8.550 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.613 -2.770 -10.314 1.00 0.00 C ATOM 1220 CD1 ILE A 75 5.847 -2.844 -7.968 1.00 0.00 C ATOM 0 H ILE A 75 4.144 -6.430 -9.186 1.00 0.00 H new ATOM 0 HA ILE A 75 4.072 -4.858 -11.724 1.00 0.00 H new ATOM 0 HB ILE A 75 5.703 -3.263 -10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.973 -3.919 -8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.381 -4.919 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.788 -1.821 -9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.515 -2.596 -11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.696 -3.221 -9.934 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.962 -3.001 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.825 -2.884 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.395 -1.868 -8.146 1.00 0.00 H new ATOM 1232 N PRO A 76 6.593 -5.458 -12.034 1.00 0.00 N ATOM 1233 CA PRO A 76 7.914 -6.081 -12.316 1.00 0.00 C ATOM 1234 C PRO A 76 8.815 -6.104 -11.076 1.00 0.00 C ATOM 1235 O PRO A 76 9.879 -6.690 -11.082 1.00 0.00 O ATOM 1236 CB PRO A 76 8.525 -5.187 -13.393 1.00 0.00 C ATOM 1237 CG PRO A 76 7.377 -4.508 -14.068 1.00 0.00 C ATOM 1238 CD PRO A 76 6.200 -4.508 -13.089 1.00 0.00 C ATOM 0 HA PRO A 76 7.809 -7.121 -12.624 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.206 -4.458 -12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.104 -5.775 -14.105 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.644 -3.488 -14.346 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.111 -5.029 -14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.024 -3.513 -12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.277 -4.819 -13.579 1.00 0.00 H new ATOM 1246 N GLY A 77 8.397 -5.469 -10.013 1.00 0.00 N ATOM 1247 CA GLY A 77 9.231 -5.454 -8.779 1.00 0.00 C ATOM 1248 C GLY A 77 10.274 -4.340 -8.880 1.00 0.00 C ATOM 1249 O GLY A 77 11.445 -4.548 -8.633 1.00 0.00 O ATOM 0 H GLY A 77 7.515 -4.961 -9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.601 -5.298 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.724 -6.417 -8.649 1.00 0.00 H new ATOM 1253 N THR A 78 9.853 -3.158 -9.246 1.00 0.00 N ATOM 1254 CA THR A 78 10.814 -2.025 -9.368 1.00 0.00 C ATOM 1255 C THR A 78 11.547 -1.815 -8.039 1.00 0.00 C ATOM 1256 O THR A 78 12.252 -2.683 -7.564 1.00 0.00 O ATOM 1257 CB THR A 78 10.050 -0.750 -9.733 1.00 0.00 C ATOM 1258 OG1 THR A 78 10.949 0.351 -9.748 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.950 -0.499 -8.701 1.00 0.00 C ATOM 0 H THR A 78 8.884 -2.929 -9.466 1.00 0.00 H new ATOM 0 HA THR A 78 11.542 -2.255 -10.146 1.00 0.00 H new ATOM 0 HB THR A 78 9.600 -0.865 -10.719 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.799 0.074 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.407 0.409 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.261 -1.344 -8.691 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.397 -0.383 -7.714 1.00 0.00 H new ATOM 1267 N LYS A 79 11.389 -0.668 -7.437 1.00 0.00 N ATOM 1268 CA LYS A 79 12.078 -0.405 -6.145 1.00 0.00 C ATOM 1269 C LYS A 79 11.185 -0.853 -4.984 1.00 0.00 C ATOM 1270 O LYS A 79 11.537 -0.718 -3.830 1.00 0.00 O ATOM 1271 CB LYS A 79 12.375 1.090 -6.027 1.00 0.00 C ATOM 1272 CG LYS A 79 13.367 1.503 -7.114 1.00 0.00 C ATOM 1273 CD LYS A 79 13.850 2.931 -6.848 1.00 0.00 C ATOM 1274 CE LYS A 79 12.670 3.900 -6.955 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.178 5.273 -7.232 1.00 0.00 N ATOM 0 H LYS A 79 10.812 0.098 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 79 13.013 -0.963 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.453 1.663 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.786 1.313 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.214 0.818 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.894 1.444 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.298 2.995 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.624 3.204 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.996 3.583 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.095 3.893 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.376 5.932 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.804 5.574 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.708 5.273 -8.127 1.00 0.00 H new ATOM 1289 N MET A 80 10.034 -1.395 -5.282 1.00 0.00 N ATOM 1290 CA MET A 80 9.126 -1.860 -4.195 1.00 0.00 C ATOM 1291 C MET A 80 9.673 -3.166 -3.615 1.00 0.00 C ATOM 1292 O MET A 80 9.804 -4.156 -4.309 1.00 0.00 O ATOM 1293 CB MET A 80 7.725 -2.092 -4.767 1.00 0.00 C ATOM 1294 CG MET A 80 6.888 -0.815 -4.625 1.00 0.00 C ATOM 1295 SD MET A 80 5.986 -0.862 -3.055 1.00 0.00 S ATOM 1296 CE MET A 80 4.612 -1.898 -3.599 1.00 0.00 C ATOM 0 H MET A 80 9.684 -1.535 -6.230 1.00 0.00 H new ATOM 0 HA MET A 80 9.070 -1.107 -3.409 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.794 -2.378 -5.817 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.240 -2.916 -4.243 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.534 0.063 -4.661 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.189 -0.730 -5.457 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.847 -1.924 -2.823 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.187 -1.487 -4.515 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.972 -2.910 -3.788 1.00 0.00 H new ATOM 1306 N ALA A 81 10.006 -3.170 -2.352 1.00 0.00 N ATOM 1307 CA ALA A 81 10.563 -4.404 -1.724 1.00 0.00 C ATOM 1308 C ALA A 81 9.562 -4.985 -0.725 1.00 0.00 C ATOM 1309 O ALA A 81 9.937 -5.570 0.270 1.00 0.00 O ATOM 1310 CB ALA A 81 11.856 -4.056 -0.991 1.00 0.00 C ATOM 0 H ALA A 81 9.916 -2.370 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 81 10.761 -5.141 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.266 -4.955 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.578 -3.649 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.648 -3.315 -0.219 1.00 0.00 H new ATOM 1316 N PHE A 82 8.293 -4.830 -0.976 1.00 0.00 N ATOM 1317 CA PHE A 82 7.283 -5.379 -0.028 1.00 0.00 C ATOM 1318 C PHE A 82 6.979 -6.831 -0.400 1.00 0.00 C ATOM 1319 O PHE A 82 6.712 -7.147 -1.543 1.00 0.00 O ATOM 1320 CB PHE A 82 5.998 -4.553 -0.109 1.00 0.00 C ATOM 1321 CG PHE A 82 5.050 -4.990 0.984 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.165 -4.444 2.268 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.055 -5.938 0.714 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.289 -4.848 3.282 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.180 -6.342 1.728 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.296 -5.796 3.013 1.00 0.00 C ATOM 0 H PHE A 82 7.912 -4.350 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 82 7.676 -5.334 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.227 -3.493 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.530 -4.683 -1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.930 -3.711 2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.963 -6.357 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.380 -4.428 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.415 -7.075 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.619 -6.107 3.795 1.00 0.00 H new ATOM 1336 N GLY A 83 7.019 -7.719 0.556 1.00 0.00 N ATOM 1337 CA GLY A 83 6.735 -9.152 0.256 1.00 0.00 C ATOM 1338 C GLY A 83 5.229 -9.398 0.331 1.00 0.00 C ATOM 1339 O GLY A 83 4.456 -8.502 0.605 1.00 0.00 O ATOM 0 H GLY A 83 7.236 -7.515 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.107 -9.408 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.255 -9.794 0.967 1.00 0.00 H new ATOM 1343 N GLY A 84 4.801 -10.609 0.089 1.00 0.00 N ATOM 1344 CA GLY A 84 3.344 -10.905 0.149 1.00 0.00 C ATOM 1345 C GLY A 84 2.973 -11.387 1.553 1.00 0.00 C ATOM 1346 O GLY A 84 3.808 -11.872 2.291 1.00 0.00 O ATOM 0 H GLY A 84 5.397 -11.402 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.771 -10.012 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.087 -11.667 -0.587 1.00 0.00 H new ATOM 1350 N LEU A 85 1.728 -11.261 1.928 1.00 0.00 N ATOM 1351 CA LEU A 85 1.311 -11.719 3.285 1.00 0.00 C ATOM 1352 C LEU A 85 0.591 -13.064 3.167 1.00 0.00 C ATOM 1353 O LEU A 85 -0.431 -13.179 2.521 1.00 0.00 O ATOM 1354 CB LEU A 85 0.365 -10.686 3.901 1.00 0.00 C ATOM 1355 CG LEU A 85 1.040 -9.313 3.912 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.135 -8.304 4.620 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.375 -9.406 4.656 1.00 0.00 C ATOM 0 H LEU A 85 0.984 -10.862 1.355 1.00 0.00 H new ATOM 0 HA LEU A 85 2.190 -11.831 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.563 -10.642 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.101 -10.980 4.917 1.00 0.00 H new ATOM 0 HG LEU A 85 1.215 -8.988 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.616 -7.326 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.817 -8.236 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.041 -8.630 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.856 -8.428 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.198 -9.732 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.022 -10.125 4.153 1.00 0.00 H new ATOM 1369 N LYS A 86 1.120 -14.082 3.787 1.00 0.00 N ATOM 1370 CA LYS A 86 0.473 -15.423 3.713 1.00 0.00 C ATOM 1371 C LYS A 86 -0.884 -15.397 4.424 1.00 0.00 C ATOM 1372 O LYS A 86 -1.819 -16.056 4.014 1.00 0.00 O ATOM 1373 CB LYS A 86 1.378 -16.461 4.380 1.00 0.00 C ATOM 1374 CG LYS A 86 2.705 -16.544 3.623 1.00 0.00 C ATOM 1375 CD LYS A 86 3.515 -17.735 4.138 1.00 0.00 C ATOM 1376 CE LYS A 86 3.883 -17.510 5.606 1.00 0.00 C ATOM 1377 NZ LYS A 86 2.964 -18.301 6.475 1.00 0.00 N ATOM 0 H LYS A 86 1.974 -14.044 4.343 1.00 0.00 H new ATOM 0 HA LYS A 86 0.319 -15.685 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.557 -16.188 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.889 -17.435 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.520 -16.652 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.270 -15.622 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.937 -18.653 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.419 -17.858 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.916 -17.809 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.811 -16.451 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.721 -17.745 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.096 -18.527 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.433 -19.183 6.764 1.00 0.00 H new ATOM 1391 N LYS A 87 -0.997 -14.658 5.495 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.293 -14.618 6.234 1.00 0.00 C ATOM 1393 C LYS A 87 -3.177 -13.493 5.694 1.00 0.00 C ATOM 1394 O LYS A 87 -2.753 -12.365 5.549 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.029 -14.384 7.719 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.267 -15.576 8.297 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.146 -15.414 9.812 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.278 -16.539 10.379 1.00 0.00 C ATOM 1399 NZ LYS A 87 -0.960 -17.848 10.163 1.00 0.00 N ATOM 0 H LYS A 87 -0.252 -14.083 5.889 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.805 -15.570 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.452 -13.469 7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.972 -14.250 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.787 -16.504 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.276 -15.642 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.706 -14.446 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.134 -15.437 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.698 -16.540 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.104 -16.378 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.524 -18.571 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.968 -17.758 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.864 -18.129 9.166 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.410 -13.800 5.400 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.342 -12.762 4.876 1.00 0.00 C ATOM 1415 C GLU A 88 -5.844 -11.880 6.025 1.00 0.00 C ATOM 1416 O GLU A 88 -6.170 -10.726 5.837 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.534 -13.445 4.202 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.050 -14.226 2.977 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.250 -14.854 2.267 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.335 -14.807 2.821 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.063 -15.371 1.177 1.00 0.00 O ATOM 0 H GLU A 88 -4.815 -14.731 5.501 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.815 -12.140 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.026 -14.118 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.272 -12.701 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.517 -13.562 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.347 -15.001 3.281 1.00 0.00 H new ATOM 1428 N LYS A 89 -5.932 -12.423 7.210 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.437 -11.621 8.363 1.00 0.00 C ATOM 1430 C LYS A 89 -5.591 -10.362 8.541 1.00 0.00 C ATOM 1431 O LYS A 89 -6.100 -9.262 8.610 1.00 0.00 O ATOM 1432 CB LYS A 89 -6.345 -12.461 9.635 1.00 0.00 C ATOM 1433 CG LYS A 89 -7.069 -11.744 10.777 1.00 0.00 C ATOM 1434 CD LYS A 89 -6.920 -12.554 12.065 1.00 0.00 C ATOM 1435 CE LYS A 89 -7.777 -11.925 13.165 1.00 0.00 C ATOM 1436 NZ LYS A 89 -9.215 -12.011 12.783 1.00 0.00 N ATOM 0 H LYS A 89 -5.677 -13.386 7.430 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.471 -11.335 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.790 -13.442 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.300 -12.625 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.655 -10.745 10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.124 -11.621 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.227 -13.586 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.875 -12.579 12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.609 -12.440 14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.491 -10.884 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.771 -12.346 13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.555 -11.071 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.325 -12.676 11.991 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.300 -10.515 8.617 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.426 -9.322 8.793 1.00 0.00 C ATOM 1452 C ASP A 90 -3.535 -8.419 7.562 1.00 0.00 C ATOM 1453 O ASP A 90 -3.398 -7.215 7.651 1.00 0.00 O ATOM 1454 CB ASP A 90 -1.971 -9.763 9.012 1.00 0.00 C ATOM 1455 CG ASP A 90 -1.453 -10.538 7.796 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.120 -10.530 6.780 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -0.393 -11.132 7.909 1.00 0.00 O ATOM 0 H ASP A 90 -3.813 -11.410 8.565 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.751 -8.762 9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.343 -8.889 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.905 -10.387 9.903 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.783 -8.987 6.416 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.903 -8.162 5.182 1.00 0.00 C ATOM 1464 C ARG A 91 -5.034 -7.148 5.349 1.00 0.00 C ATOM 1465 O ARG A 91 -4.902 -5.992 4.996 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.215 -9.078 3.997 1.00 0.00 C ATOM 1467 CG ARG A 91 -4.242 -8.259 2.706 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.723 -9.146 1.557 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.788 -10.294 1.393 1.00 0.00 N ATOM 1470 CZ ARG A 91 -4.214 -11.419 0.885 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -5.459 -11.538 0.511 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -3.394 -12.424 0.749 1.00 0.00 N ATOM 0 H ARG A 91 -3.908 -9.990 6.280 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.967 -7.632 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.463 -9.864 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.176 -9.569 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.904 -7.400 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.248 -7.869 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.730 -9.509 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.773 -8.569 0.634 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.813 -10.201 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.100 -10.752 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.791 -12.417 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.421 -12.331 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.726 -13.303 0.352 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.149 -7.568 5.881 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.288 -6.630 6.064 1.00 0.00 C ATOM 1488 C ASN A 92 -6.884 -5.501 7.014 1.00 0.00 C ATOM 1489 O ASN A 92 -7.207 -4.349 6.795 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.474 -7.391 6.659 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.043 -8.355 5.617 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.723 -9.527 5.618 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.885 -7.909 4.725 1.00 0.00 N ATOM 0 H ASN A 92 -6.319 -8.523 6.197 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.565 -6.205 5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.157 -7.943 7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.245 -6.690 6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.274 -8.544 4.029 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.154 -6.925 4.724 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.189 -5.818 8.070 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.776 -4.766 9.033 1.00 0.00 C ATOM 1502 C ASP A 93 -4.794 -3.796 8.367 1.00 0.00 C ATOM 1503 O ASP A 93 -4.854 -2.600 8.575 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.107 -5.423 10.237 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.131 -6.276 10.988 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.311 -6.121 10.722 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.716 -7.071 11.815 1.00 0.00 O ATOM 0 H ASP A 93 -5.889 -6.764 8.306 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.656 -4.210 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.272 -6.043 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.697 -4.661 10.900 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.883 -4.299 7.577 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.896 -3.394 6.920 1.00 0.00 C ATOM 1514 C LEU A 94 -3.622 -2.347 6.073 1.00 0.00 C ATOM 1515 O LEU A 94 -3.326 -1.171 6.145 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.962 -4.217 6.031 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.951 -3.289 5.355 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.159 -2.530 6.418 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.014 -4.118 4.509 1.00 0.00 C ATOM 0 H LEU A 94 -3.780 -5.290 7.359 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.314 -2.885 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.442 -4.966 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.539 -4.754 5.278 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.483 -2.580 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.560 -1.870 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.842 -1.938 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.371 -3.240 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.735 -3.458 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.542 -4.826 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.545 -4.662 3.748 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.572 -2.753 5.278 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.306 -1.760 4.445 1.00 0.00 C ATOM 1533 C ILE A 95 -6.127 -0.859 5.367 1.00 0.00 C ATOM 1534 O ILE A 95 -6.278 0.323 5.131 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.232 -2.486 3.470 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.420 -3.483 2.642 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.887 -1.468 2.529 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.363 -4.301 1.757 1.00 0.00 C ATOM 0 H ILE A 95 -4.871 -3.722 5.169 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.598 -1.159 3.874 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.002 -3.015 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.694 -2.953 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.857 -4.145 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.547 -1.987 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.465 -0.752 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.115 -0.940 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.784 -5.011 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.072 -4.842 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.906 -3.633 1.089 1.00 0.00 H new ATOM 1550 N THR A 96 -6.658 -1.415 6.421 1.00 0.00 N ATOM 1551 CA THR A 96 -7.471 -0.611 7.372 1.00 0.00 C ATOM 1552 C THR A 96 -6.633 0.553 7.911 1.00 0.00 C ATOM 1553 O THR A 96 -7.111 1.662 8.044 1.00 0.00 O ATOM 1554 CB THR A 96 -7.914 -1.498 8.537 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.534 -2.671 8.027 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.909 -0.735 9.413 1.00 0.00 C ATOM 0 H THR A 96 -6.562 -2.401 6.665 1.00 0.00 H new ATOM 0 HA THR A 96 -8.347 -0.218 6.856 1.00 0.00 H new ATOM 0 HB THR A 96 -7.045 -1.774 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.854 -3.360 7.875 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.224 -1.368 10.242 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.434 0.165 9.803 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.779 -0.457 8.818 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.386 0.315 8.224 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.536 1.421 8.752 1.00 0.00 C ATOM 1566 C TYR A 97 -4.450 2.529 7.700 1.00 0.00 C ATOM 1567 O TYR A 97 -4.711 3.685 7.977 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.134 0.890 9.058 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.298 1.992 9.663 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.398 2.276 11.030 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.422 2.726 8.856 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.621 3.298 11.591 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.646 3.748 9.416 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.745 4.034 10.783 1.00 0.00 C ATOM 1575 OH TYR A 97 0.021 5.040 11.335 1.00 0.00 O ATOM 0 H TYR A 97 -4.923 -0.590 8.138 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.974 1.818 9.668 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.195 0.047 9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.665 0.523 8.145 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.074 1.708 11.652 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.344 2.504 7.802 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.697 3.518 12.646 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.029 4.316 8.793 1.00 0.00 H new ATOM 0 HH TYR A 97 0.575 5.450 10.638 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.115 2.185 6.487 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.047 3.218 5.420 1.00 0.00 C ATOM 1587 C LEU A 98 -5.457 3.735 5.161 1.00 0.00 C ATOM 1588 O LEU A 98 -5.664 4.888 4.839 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.480 2.602 4.139 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.025 2.193 4.363 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.478 1.549 3.088 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.196 3.433 4.698 1.00 0.00 C ATOM 0 H LEU A 98 -3.886 1.236 6.191 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.399 4.037 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.071 1.733 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.544 3.319 3.320 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.968 1.481 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.440 1.256 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.071 0.668 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.533 2.264 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.157 3.144 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.252 4.142 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.587 3.898 5.603 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.431 2.882 5.309 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.836 3.306 5.081 1.00 0.00 C ATOM 1606 C LYS A 99 -8.153 4.482 6.007 1.00 0.00 C ATOM 1607 O LYS A 99 -8.785 5.444 5.617 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.769 2.139 5.410 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.196 2.479 4.989 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.140 1.362 5.439 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.564 1.678 4.983 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.473 1.687 6.164 1.00 0.00 N ATOM 0 H LYS A 99 -6.312 1.906 5.579 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.974 3.604 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.434 1.238 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.737 1.927 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.501 3.428 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.248 2.600 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.817 0.409 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.109 1.261 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.591 2.646 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.899 0.935 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.442 1.902 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.455 0.754 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.157 2.411 6.840 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.706 4.411 7.232 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.966 5.518 8.192 1.00 0.00 C ATOM 1628 C LYS A 100 -7.344 6.807 7.659 1.00 0.00 C ATOM 1629 O LYS A 100 -7.915 7.876 7.759 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.330 5.172 9.537 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.668 6.253 10.561 1.00 0.00 C ATOM 1632 CD LYS A 100 -6.927 5.954 11.863 1.00 0.00 C ATOM 1633 CE LYS A 100 -7.415 6.901 12.961 1.00 0.00 C ATOM 1634 NZ LYS A 100 -6.630 6.664 14.205 1.00 0.00 N ATOM 0 H LYS A 100 -7.170 3.630 7.609 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.041 5.654 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.693 4.204 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.249 5.087 9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.381 7.234 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.743 6.281 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.096 4.919 12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.853 6.072 11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.303 7.936 12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.476 6.739 13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.961 7.307 14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.758 5.679 14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.622 6.840 14.018 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.173 6.711 7.098 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.502 7.927 6.558 1.00 0.00 C ATOM 1650 C ALA A 101 -6.394 8.580 5.500 1.00 0.00 C ATOM 1651 O ALA A 101 -6.380 9.782 5.322 1.00 0.00 O ATOM 1652 CB ALA A 101 -4.167 7.531 5.923 1.00 0.00 C ATOM 0 H ALA A 101 -5.650 5.842 6.989 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.327 8.634 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.675 8.419 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.529 7.068 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.345 6.824 5.113 1.00 0.00 H new