USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1140 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 107 HIS :FLIP no HD1:sc= -0.068 X(o=-0.38,f=-0.068) USER MOD Set 1.2: A 108 ASN :FLIP amide:sc= 0 F(o=-1.2,f=-0.068) USER MOD Set 2.1: A 91 HIS : no HD1:sc= 0.488 K(o=0.15,f=-1.9!) USER MOD Set 2.2: A 101 TYR OH : rot -24:sc= -0.336 USER MOD Set 3.1: A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 1 MET N :NH3+ -157:sc= 0.476 (180deg=0.287) USER MOD Set 4.2: A 4 THR OG1 : rot -177:sc= 0 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.102 (180deg=-0.566) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 154:sc= 1.12 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 153:sc= -0.639 (180deg=-2.38!) USER MOD Single : A 29 THR OG1 : rot -160:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 0.63 (180deg=0.0788) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -0.0128 (180deg=-0.157) USER MOD Single : A 47 SER OG : rot 140:sc= 0 USER MOD Single : A 53 MET CE :methyl 171:sc= -0.698 (180deg=-0.858) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -62:sc= 0.318 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00201 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0.0748 (180deg=-0.022) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0.772 (180deg=0.478) USER MOD Single : A 74 ASN : amide:sc= -0.0855 K(o=-0.085,f=-1.2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.39 K(o=-1.4,f=-5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 79:sc= 0.468 USER MOD Single : A 93 TYR OH : rot -103:sc= 0.0751 USER MOD Single : A 100 ASN :FLIP amide:sc= -0.0106 F(o=-1.7!,f=-0.011) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0.992 (180deg=0.907) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0.025 (180deg=0.025) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -141:sc= -1.05 USER MOD Single : A 119 ASN :FLIP amide:sc= -0.0467 F(o=-0.59,f=-0.047) USER MOD Single : A 123 ASN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 124 ASN : amide:sc= -1.82 K(o=-1.8,f=-7.6!) USER MOD Single : A 127 THR OG1 : rot 129:sc= -0.894 USER MOD Single : A 137 HIS : no HE2:sc= 0.0247 X(o=0.025,f=-0.13) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.0525 X(o=-0.053,f=-0.053) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 HIS : no HD1:sc= -0.105 K(o=-0.11,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.641 -6.166 11.769 1.00 72.30 N ATOM 2 CA MET A 1 2.997 -7.424 11.064 1.00 72.40 C ATOM 3 C MET A 1 2.043 -7.612 9.885 1.00 41.21 C ATOM 4 O MET A 1 2.483 -7.864 8.763 1.00 64.13 O ATOM 5 CB MET A 1 2.950 -8.611 12.046 1.00 22.22 C ATOM 6 CG MET A 1 3.584 -9.899 11.528 1.00 32.51 C ATOM 7 SD MET A 1 2.462 -10.937 10.565 1.00 43.03 S ATOM 8 CE MET A 1 1.296 -11.455 11.826 1.00 52.34 C ATOM 0 H1 MET A 1 3.466 -5.819 12.298 1.00 72.30 H new ATOM 0 H2 MET A 1 2.349 -5.449 11.074 1.00 72.30 H new ATOM 0 H3 MET A 1 1.858 -6.348 12.429 1.00 72.30 H new ATOM 0 HA MET A 1 4.015 -7.371 10.677 1.00 72.40 H new ATOM 0 HB2 MET A 1 3.453 -8.321 12.968 1.00 22.22 H new ATOM 0 HB3 MET A 1 1.909 -8.812 12.300 1.00 22.22 H new ATOM 0 HG2 MET A 1 4.446 -9.645 10.911 1.00 32.51 H new ATOM 0 HG3 MET A 1 3.957 -10.474 12.375 1.00 32.51 H new ATOM 0 HE1 MET A 1 0.798 -12.371 11.507 1.00 52.34 H new ATOM 0 HE2 MET A 1 1.827 -11.637 12.760 1.00 52.34 H new ATOM 0 HE3 MET A 1 0.553 -10.672 11.978 1.00 52.34 H new ATOM 20 N LEU A 2 0.747 -7.511 10.170 1.00 20.35 N ATOM 21 CA LEU A 2 -0.280 -7.287 9.155 1.00 2.23 C ATOM 22 C LEU A 2 -1.502 -6.689 9.848 1.00 40.11 C ATOM 23 O LEU A 2 -1.841 -7.099 10.965 1.00 5.51 O ATOM 24 CB LEU A 2 -0.626 -8.571 8.342 1.00 14.12 C ATOM 25 CG LEU A 2 -1.337 -9.728 9.067 1.00 71.01 C ATOM 26 CD1 LEU A 2 -2.849 -9.650 8.886 1.00 24.22 C ATOM 27 CD2 LEU A 2 -0.818 -11.063 8.559 1.00 71.13 C ATOM 0 H LEU A 2 0.377 -7.583 11.118 1.00 20.35 H new ATOM 0 HA LEU A 2 0.100 -6.590 8.408 1.00 2.23 H new ATOM 0 HB2 LEU A 2 -1.251 -8.273 7.501 1.00 14.12 H new ATOM 0 HB3 LEU A 2 0.303 -8.961 7.926 1.00 14.12 H new ATOM 0 HG LEU A 2 -1.120 -9.641 10.132 1.00 71.01 H new ATOM 0 HD11 LEU A 2 -3.321 -10.481 9.410 1.00 24.22 H new ATOM 0 HD12 LEU A 2 -3.216 -8.708 9.294 1.00 24.22 H new ATOM 0 HD13 LEU A 2 -3.092 -9.705 7.825 1.00 24.22 H new ATOM 0 HD21 LEU A 2 -1.328 -11.874 9.079 1.00 71.13 H new ATOM 0 HD22 LEU A 2 -1.007 -11.143 7.488 1.00 71.13 H new ATOM 0 HD23 LEU A 2 0.254 -11.131 8.744 1.00 71.13 H new ATOM 39 N LYS A 3 -2.098 -5.669 9.205 1.00 53.11 N ATOM 40 CA LYS A 3 -3.288 -4.943 9.704 1.00 55.33 C ATOM 41 C LYS A 3 -2.935 -4.135 10.976 1.00 33.01 C ATOM 42 O LYS A 3 -3.781 -3.835 11.825 1.00 4.24 O ATOM 43 CB LYS A 3 -4.490 -5.896 9.936 1.00 1.24 C ATOM 44 CG LYS A 3 -5.841 -5.193 9.982 1.00 63.45 C ATOM 45 CD LYS A 3 -6.950 -6.116 10.453 1.00 1.32 C ATOM 46 CE LYS A 3 -8.266 -5.366 10.591 1.00 23.44 C ATOM 47 NZ LYS A 3 -9.323 -6.199 11.223 1.00 50.05 N ATOM 0 H LYS A 3 -1.763 -5.317 8.308 1.00 53.11 H new ATOM 0 HA LYS A 3 -3.600 -4.237 8.935 1.00 55.33 H new ATOM 0 HB2 LYS A 3 -4.507 -6.642 9.141 1.00 1.24 H new ATOM 0 HB3 LYS A 3 -4.339 -6.432 10.873 1.00 1.24 H new ATOM 0 HG2 LYS A 3 -5.779 -4.333 10.648 1.00 63.45 H new ATOM 0 HG3 LYS A 3 -6.084 -4.811 8.990 1.00 63.45 H new ATOM 0 HD2 LYS A 3 -7.068 -6.937 9.746 1.00 1.32 H new ATOM 0 HD3 LYS A 3 -6.677 -6.557 11.412 1.00 1.32 H new ATOM 0 HE2 LYS A 3 -8.109 -4.467 11.187 1.00 23.44 H new ATOM 0 HE3 LYS A 3 -8.602 -5.041 9.606 1.00 23.44 H new ATOM 0 HZ1 LYS A 3 -10.202 -5.648 11.297 1.00 50.05 H new ATOM 0 HZ2 LYS A 3 -9.493 -7.045 10.642 1.00 50.05 H new ATOM 0 HZ3 LYS A 3 -9.015 -6.488 12.173 1.00 50.05 H new ATOM 61 N THR A 4 -1.666 -3.764 11.079 1.00 52.44 N ATOM 62 CA THR A 4 -1.223 -2.849 12.120 1.00 25.33 C ATOM 63 C THR A 4 -1.242 -1.455 11.528 1.00 45.12 C ATOM 64 O THR A 4 -1.719 -0.495 12.142 1.00 72.04 O ATOM 65 CB THR A 4 0.188 -3.203 12.648 1.00 10.05 C ATOM 66 OG1 THR A 4 0.218 -4.576 13.046 1.00 53.24 O ATOM 67 CG2 THR A 4 0.585 -2.334 13.834 1.00 75.42 C ATOM 0 H THR A 4 -0.926 -4.083 10.454 1.00 52.44 H new ATOM 0 HA THR A 4 -1.891 -2.919 12.979 1.00 25.33 H new ATOM 0 HB THR A 4 0.898 -3.022 11.841 1.00 10.05 H new ATOM 0 HG1 THR A 4 1.097 -4.788 13.423 1.00 53.24 H new ATOM 0 HG21 THR A 4 1.582 -2.615 14.174 1.00 75.42 H new ATOM 0 HG22 THR A 4 0.586 -1.286 13.533 1.00 75.42 H new ATOM 0 HG23 THR A 4 -0.129 -2.478 14.645 1.00 75.42 H new ATOM 75 N ILE A 5 -0.757 -1.381 10.301 1.00 44.32 N ATOM 76 CA ILE A 5 -0.879 -0.200 9.496 1.00 52.25 C ATOM 77 C ILE A 5 -2.213 -0.204 8.768 1.00 70.25 C ATOM 78 O ILE A 5 -2.547 -1.130 8.016 1.00 73.03 O ATOM 79 CB ILE A 5 0.315 -0.073 8.507 1.00 52.04 C ATOM 80 CG1 ILE A 5 1.533 0.461 9.250 1.00 5.04 C ATOM 81 CG2 ILE A 5 0.013 0.806 7.293 1.00 71.31 C ATOM 82 CD1 ILE A 5 1.338 1.852 9.815 1.00 44.32 C ATOM 0 H ILE A 5 -0.266 -2.148 9.842 1.00 44.32 H new ATOM 0 HA ILE A 5 -0.849 0.674 10.146 1.00 52.25 H new ATOM 0 HB ILE A 5 0.511 -1.072 8.117 1.00 52.04 H new ATOM 0 HG12 ILE A 5 1.779 -0.221 10.064 1.00 5.04 H new ATOM 0 HG13 ILE A 5 2.386 0.470 8.572 1.00 5.04 H new ATOM 0 HG21 ILE A 5 0.890 0.849 6.648 1.00 71.31 H new ATOM 0 HG22 ILE A 5 -0.825 0.385 6.738 1.00 71.31 H new ATOM 0 HG23 ILE A 5 -0.241 1.812 7.627 1.00 71.31 H new ATOM 0 HD11 ILE A 5 2.246 2.166 10.330 1.00 44.32 H new ATOM 0 HD12 ILE A 5 1.122 2.547 9.004 1.00 44.32 H new ATOM 0 HD13 ILE A 5 0.506 1.846 10.519 1.00 44.32 H new ATOM 94 N LEU A 6 -2.994 0.810 9.063 1.00 14.45 N ATOM 95 CA LEU A 6 -4.154 1.120 8.284 1.00 21.13 C ATOM 96 C LEU A 6 -3.869 2.378 7.490 1.00 55.04 C ATOM 97 O LEU A 6 -3.273 3.338 7.994 1.00 50.35 O ATOM 98 CB LEU A 6 -5.419 1.258 9.145 1.00 13.11 C ATOM 99 CG LEU A 6 -6.173 -0.061 9.412 1.00 54.03 C ATOM 100 CD1 LEU A 6 -5.465 -0.931 10.444 1.00 3.50 C ATOM 101 CD2 LEU A 6 -7.606 0.210 9.835 1.00 41.24 C ATOM 0 H LEU A 6 -2.837 1.438 9.851 1.00 14.45 H new ATOM 0 HA LEU A 6 -4.360 0.294 7.603 1.00 21.13 H new ATOM 0 HB2 LEU A 6 -5.143 1.701 10.102 1.00 13.11 H new ATOM 0 HB3 LEU A 6 -6.099 1.955 8.656 1.00 13.11 H new ATOM 0 HG LEU A 6 -6.185 -0.616 8.474 1.00 54.03 H new ATOM 0 HD11 LEU A 6 -6.034 -1.848 10.598 1.00 3.50 H new ATOM 0 HD12 LEU A 6 -4.466 -1.179 10.086 1.00 3.50 H new ATOM 0 HD13 LEU A 6 -5.389 -0.389 11.386 1.00 3.50 H new ATOM 0 HD21 LEU A 6 -8.117 -0.736 10.017 1.00 41.24 H new ATOM 0 HD22 LEU A 6 -7.609 0.806 10.748 1.00 41.24 H new ATOM 0 HD23 LEU A 6 -8.122 0.754 9.044 1.00 41.24 H new ATOM 113 N SER A 7 -4.276 2.338 6.247 1.00 1.42 N ATOM 114 CA SER A 7 -4.000 3.372 5.288 1.00 32.33 C ATOM 115 C SER A 7 -5.038 4.462 5.376 1.00 73.10 C ATOM 116 O SER A 7 -6.238 4.203 5.499 1.00 42.24 O ATOM 117 CB SER A 7 -3.981 2.778 3.880 1.00 53.52 C ATOM 118 OG SER A 7 -3.753 3.778 2.917 1.00 15.00 O ATOM 0 H SER A 7 -4.822 1.565 5.866 1.00 1.42 H new ATOM 0 HA SER A 7 -3.024 3.805 5.508 1.00 32.33 H new ATOM 0 HB2 SER A 7 -3.203 2.018 3.812 1.00 53.52 H new ATOM 0 HB3 SER A 7 -4.930 2.282 3.677 1.00 53.52 H new ATOM 0 HG SER A 7 -3.337 3.380 2.124 1.00 15.00 H new ATOM 124 N ILE A 8 -4.543 5.679 5.327 1.00 44.43 N ATOM 125 CA ILE A 8 -5.378 6.846 5.371 1.00 12.24 C ATOM 126 C ILE A 8 -5.284 7.518 4.003 1.00 34.43 C ATOM 127 O ILE A 8 -4.232 8.050 3.632 1.00 42.42 O ATOM 128 CB ILE A 8 -4.919 7.815 6.493 1.00 40.12 C ATOM 129 CG1 ILE A 8 -4.761 7.091 7.855 1.00 52.31 C ATOM 130 CG2 ILE A 8 -5.896 8.975 6.623 1.00 61.33 C ATOM 131 CD1 ILE A 8 -6.032 6.471 8.423 1.00 14.10 C ATOM 0 H ILE A 8 -3.546 5.882 5.255 1.00 44.43 H new ATOM 0 HA ILE A 8 -6.409 6.570 5.594 1.00 12.24 H new ATOM 0 HB ILE A 8 -3.939 8.201 6.211 1.00 40.12 H new ATOM 0 HG12 ILE A 8 -4.013 6.306 7.744 1.00 52.31 H new ATOM 0 HG13 ILE A 8 -4.370 7.803 8.581 1.00 52.31 H new ATOM 0 HG21 ILE A 8 -5.561 9.646 7.414 1.00 61.33 H new ATOM 0 HG22 ILE A 8 -5.942 9.520 5.680 1.00 61.33 H new ATOM 0 HG23 ILE A 8 -6.886 8.591 6.868 1.00 61.33 H new ATOM 0 HD11 ILE A 8 -5.808 5.991 9.376 1.00 14.10 H new ATOM 0 HD12 ILE A 8 -6.780 7.249 8.575 1.00 14.10 H new ATOM 0 HD13 ILE A 8 -6.418 5.728 7.725 1.00 14.10 H new ATOM 143 N ALA A 9 -6.377 7.466 3.254 1.00 62.15 N ATOM 144 CA ALA A 9 -6.371 7.910 1.869 1.00 23.13 C ATOM 145 C ALA A 9 -6.784 9.369 1.755 1.00 43.15 C ATOM 146 O ALA A 9 -7.969 9.707 1.857 1.00 21.21 O ATOM 147 CB ALA A 9 -7.263 7.018 1.019 1.00 24.23 C ATOM 0 H ALA A 9 -7.279 7.121 3.583 1.00 62.15 H new ATOM 0 HA ALA A 9 -5.351 7.830 1.492 1.00 23.13 H new ATOM 0 HB1 ALA A 9 -7.246 7.365 -0.014 1.00 24.23 H new ATOM 0 HB2 ALA A 9 -6.899 5.992 1.063 1.00 24.23 H new ATOM 0 HB3 ALA A 9 -8.284 7.057 1.398 1.00 24.23 H new ATOM 153 N GLY A 10 -5.786 10.229 1.593 1.00 64.35 N ATOM 154 CA GLY A 10 -6.033 11.639 1.410 1.00 43.21 C ATOM 155 C GLY A 10 -4.924 12.501 1.972 1.00 24.51 C ATOM 156 O GLY A 10 -3.823 12.539 1.425 1.00 2.40 O ATOM 0 H GLY A 10 -4.800 9.967 1.586 1.00 64.35 H new ATOM 0 HA2 GLY A 10 -6.148 11.849 0.347 1.00 43.21 H new ATOM 0 HA3 GLY A 10 -6.974 11.905 1.891 1.00 43.21 H new ATOM 160 N LYS A 11 -5.213 13.161 3.089 1.00 23.40 N ATOM 161 CA LYS A 11 -4.338 14.203 3.631 1.00 20.22 C ATOM 162 C LYS A 11 -3.187 13.651 4.532 1.00 71.33 C ATOM 163 O LYS A 11 -2.043 14.067 4.343 1.00 64.44 O ATOM 164 CB LYS A 11 -5.179 15.261 4.371 1.00 43.02 C ATOM 165 CG LYS A 11 -4.485 16.602 4.549 1.00 20.11 C ATOM 166 CD LYS A 11 -4.341 17.339 3.227 1.00 51.23 C ATOM 167 CE LYS A 11 -3.729 18.715 3.419 1.00 44.15 C ATOM 168 NZ LYS A 11 -3.652 19.470 2.141 1.00 53.21 N ATOM 0 H LYS A 11 -6.053 12.993 3.643 1.00 23.40 H new ATOM 0 HA LYS A 11 -3.836 14.670 2.783 1.00 20.22 H new ATOM 0 HB2 LYS A 11 -6.109 15.416 3.824 1.00 43.02 H new ATOM 0 HB3 LYS A 11 -5.448 14.872 5.353 1.00 43.02 H new ATOM 0 HG2 LYS A 11 -5.053 17.216 5.248 1.00 20.11 H new ATOM 0 HG3 LYS A 11 -3.500 16.447 4.989 1.00 20.11 H new ATOM 0 HD2 LYS A 11 -3.718 16.754 2.550 1.00 51.23 H new ATOM 0 HD3 LYS A 11 -5.319 17.437 2.756 1.00 51.23 H new ATOM 0 HE2 LYS A 11 -4.322 19.279 4.139 1.00 44.15 H new ATOM 0 HE3 LYS A 11 -2.729 18.612 3.841 1.00 44.15 H new ATOM 0 HZ1 LYS A 11 -3.229 20.404 2.314 1.00 53.21 H new ATOM 0 HZ2 LYS A 11 -3.065 18.944 1.462 1.00 53.21 H new ATOM 0 HZ3 LYS A 11 -4.608 19.591 1.751 1.00 53.21 H new ATOM 182 N PRO A 12 -3.437 12.752 5.547 1.00 73.41 N ATOM 183 CA PRO A 12 -2.345 12.105 6.319 1.00 74.44 C ATOM 184 C PRO A 12 -1.660 10.927 5.578 1.00 32.52 C ATOM 185 O PRO A 12 -1.574 10.920 4.346 1.00 65.30 O ATOM 186 CB PRO A 12 -3.054 11.616 7.597 1.00 50.20 C ATOM 187 CG PRO A 12 -4.409 12.230 7.565 1.00 34.42 C ATOM 188 CD PRO A 12 -4.739 12.370 6.115 1.00 3.31 C ATOM 0 HA PRO A 12 -1.527 12.801 6.502 1.00 74.44 H new ATOM 0 HB2 PRO A 12 -3.117 10.528 7.618 1.00 50.20 H new ATOM 0 HB3 PRO A 12 -2.507 11.921 8.489 1.00 50.20 H new ATOM 0 HG2 PRO A 12 -5.138 11.602 8.076 1.00 34.42 H new ATOM 0 HG3 PRO A 12 -4.415 13.198 8.066 1.00 34.42 H new ATOM 0 HD2 PRO A 12 -5.114 11.439 5.689 1.00 3.31 H new ATOM 0 HD3 PRO A 12 -5.500 13.130 5.940 1.00 3.31 H new ATOM 196 N GLY A 13 -1.173 9.934 6.343 1.00 23.34 N ATOM 197 CA GLY A 13 -0.364 8.868 5.782 1.00 23.44 C ATOM 198 C GLY A 13 -0.790 7.504 6.270 1.00 51.22 C ATOM 199 O GLY A 13 -1.809 6.985 5.827 1.00 21.12 O ATOM 0 H GLY A 13 -1.332 9.859 7.348 1.00 23.34 H new ATOM 0 HA2 GLY A 13 -0.431 8.899 4.694 1.00 23.44 H new ATOM 0 HA3 GLY A 13 0.681 9.034 6.042 1.00 23.44 H new ATOM 203 N LEU A 14 -0.001 6.906 7.173 1.00 63.30 N ATOM 204 CA LEU A 14 -0.294 5.570 7.660 1.00 15.24 C ATOM 205 C LEU A 14 -0.244 5.552 9.175 1.00 31.11 C ATOM 206 O LEU A 14 0.742 5.988 9.777 1.00 5.01 O ATOM 207 CB LEU A 14 0.702 4.566 7.082 1.00 42.31 C ATOM 208 CG LEU A 14 0.685 4.429 5.556 1.00 11.21 C ATOM 209 CD1 LEU A 14 1.868 3.633 5.085 1.00 53.52 C ATOM 210 CD2 LEU A 14 -0.590 3.765 5.084 1.00 73.44 C ATOM 0 H LEU A 14 0.836 7.330 7.573 1.00 63.30 H new ATOM 0 HA LEU A 14 -1.296 5.286 7.337 1.00 15.24 H new ATOM 0 HB2 LEU A 14 1.706 4.855 7.393 1.00 42.31 H new ATOM 0 HB3 LEU A 14 0.502 3.588 7.520 1.00 42.31 H new ATOM 0 HG LEU A 14 0.735 5.433 5.133 1.00 11.21 H new ATOM 0 HD11 LEU A 14 1.839 3.546 3.999 1.00 53.52 H new ATOM 0 HD12 LEU A 14 2.787 4.136 5.384 1.00 53.52 H new ATOM 0 HD13 LEU A 14 1.837 2.638 5.529 1.00 53.52 H new ATOM 0 HD21 LEU A 14 -0.576 3.680 3.997 1.00 73.44 H new ATOM 0 HD22 LEU A 14 -0.667 2.771 5.524 1.00 73.44 H new ATOM 0 HD23 LEU A 14 -1.447 4.365 5.390 1.00 73.44 H new ATOM 222 N TYR A 15 -1.316 5.073 9.785 1.00 63.42 N ATOM 223 CA TYR A 15 -1.430 5.076 11.234 1.00 10.05 C ATOM 224 C TYR A 15 -1.723 3.689 11.774 1.00 72.52 C ATOM 225 O TYR A 15 -2.257 2.831 11.074 1.00 53.04 O ATOM 226 CB TYR A 15 -2.523 6.043 11.696 1.00 42.12 C ATOM 227 CG TYR A 15 -2.192 7.507 11.503 1.00 61.05 C ATOM 228 CD1 TYR A 15 -1.060 8.067 12.077 1.00 61.23 C ATOM 229 CD2 TYR A 15 -3.017 8.328 10.752 1.00 72.22 C ATOM 230 CE1 TYR A 15 -0.757 9.402 11.905 1.00 34.02 C ATOM 231 CE2 TYR A 15 -2.722 9.665 10.576 1.00 34.50 C ATOM 232 CZ TYR A 15 -1.588 10.197 11.156 1.00 61.33 C ATOM 233 OH TYR A 15 -1.286 11.529 10.988 1.00 44.54 O ATOM 0 H TYR A 15 -2.120 4.677 9.299 1.00 63.42 H new ATOM 0 HA TYR A 15 -0.469 5.406 11.627 1.00 10.05 H new ATOM 0 HB2 TYR A 15 -3.442 5.817 11.155 1.00 42.12 H new ATOM 0 HB3 TYR A 15 -2.724 5.866 12.753 1.00 42.12 H new ATOM 0 HD1 TYR A 15 -0.404 7.447 12.669 1.00 61.23 H new ATOM 0 HD2 TYR A 15 -3.905 7.915 10.297 1.00 72.22 H new ATOM 0 HE1 TYR A 15 0.130 9.820 12.358 1.00 34.02 H new ATOM 0 HE2 TYR A 15 -3.375 10.292 9.987 1.00 34.50 H new ATOM 0 HH TYR A 15 -0.314 11.650 11.017 1.00 44.54 H new ATOM 243 N LYS A 16 -1.360 3.493 13.029 1.00 51.14 N ATOM 244 CA LYS A 16 -1.666 2.276 13.748 1.00 53.23 C ATOM 245 C LYS A 16 -3.051 2.388 14.358 1.00 33.53 C ATOM 246 O LYS A 16 -3.241 3.129 15.308 1.00 33.25 O ATOM 247 CB LYS A 16 -0.648 2.060 14.865 1.00 13.32 C ATOM 248 CG LYS A 16 0.764 1.764 14.388 1.00 33.34 C ATOM 249 CD LYS A 16 1.797 2.082 15.468 1.00 5.25 C ATOM 250 CE LYS A 16 1.540 1.305 16.753 1.00 61.41 C ATOM 251 NZ LYS A 16 2.524 1.621 17.816 1.00 33.31 N ATOM 0 H LYS A 16 -0.842 4.179 13.578 1.00 51.14 H new ATOM 0 HA LYS A 16 -1.629 1.435 13.056 1.00 53.23 H new ATOM 0 HB2 LYS A 16 -0.625 2.950 15.495 1.00 13.32 H new ATOM 0 HB3 LYS A 16 -0.986 1.235 15.492 1.00 13.32 H new ATOM 0 HG2 LYS A 16 0.842 0.714 14.106 1.00 33.34 H new ATOM 0 HG3 LYS A 16 0.978 2.350 13.494 1.00 33.34 H new ATOM 0 HD2 LYS A 16 2.794 1.847 15.096 1.00 5.25 H new ATOM 0 HD3 LYS A 16 1.780 3.151 15.682 1.00 5.25 H new ATOM 0 HE2 LYS A 16 0.536 1.529 17.114 1.00 61.41 H new ATOM 0 HE3 LYS A 16 1.571 0.237 16.540 1.00 61.41 H new ATOM 0 HZ1 LYS A 16 2.305 1.067 18.668 1.00 33.31 H new ATOM 0 HZ2 LYS A 16 3.481 1.383 17.485 1.00 33.31 H new ATOM 0 HZ3 LYS A 16 2.478 2.635 18.042 1.00 33.31 H new ATOM 265 N LEU A 17 -4.007 1.666 13.806 1.00 42.50 N ATOM 266 CA LEU A 17 -5.355 1.636 14.349 1.00 52.50 C ATOM 267 C LEU A 17 -5.380 0.641 15.515 1.00 24.42 C ATOM 268 O LEU A 17 -5.201 -0.563 15.323 1.00 51.55 O ATOM 269 CB LEU A 17 -6.332 1.269 13.210 1.00 50.31 C ATOM 270 CG LEU A 17 -7.855 1.335 13.472 1.00 0.33 C ATOM 271 CD1 LEU A 17 -8.373 0.016 13.996 1.00 3.03 C ATOM 272 CD2 LEU A 17 -8.230 2.461 14.419 1.00 64.44 C ATOM 0 H LEU A 17 -3.875 1.088 12.976 1.00 42.50 H new ATOM 0 HA LEU A 17 -5.667 2.604 14.741 1.00 52.50 H new ATOM 0 HB2 LEU A 17 -6.115 1.926 12.367 1.00 50.31 H new ATOM 0 HB3 LEU A 17 -6.098 0.253 12.891 1.00 50.31 H new ATOM 0 HG LEU A 17 -8.328 1.544 12.512 1.00 0.33 H new ATOM 0 HD11 LEU A 17 -9.446 0.090 14.172 1.00 3.03 H new ATOM 0 HD12 LEU A 17 -8.179 -0.768 13.264 1.00 3.03 H new ATOM 0 HD13 LEU A 17 -7.868 -0.227 14.931 1.00 3.03 H new ATOM 0 HD21 LEU A 17 -9.309 2.465 14.570 1.00 64.44 H new ATOM 0 HD22 LEU A 17 -7.730 2.313 15.376 1.00 64.44 H new ATOM 0 HD23 LEU A 17 -7.920 3.415 13.991 1.00 64.44 H new ATOM 284 N ILE A 18 -5.548 1.178 16.722 1.00 41.23 N ATOM 285 CA ILE A 18 -5.664 0.367 17.929 1.00 20.02 C ATOM 286 C ILE A 18 -7.074 -0.215 17.995 1.00 41.31 C ATOM 287 O ILE A 18 -7.255 -1.434 18.063 1.00 12.51 O ATOM 288 CB ILE A 18 -5.339 1.180 19.242 1.00 11.22 C ATOM 289 CG1 ILE A 18 -3.858 1.585 19.317 1.00 12.44 C ATOM 290 CG2 ILE A 18 -5.698 0.397 20.506 1.00 14.23 C ATOM 291 CD1 ILE A 18 -3.518 2.876 18.611 1.00 40.14 C ATOM 0 H ILE A 18 -5.607 2.183 16.889 1.00 41.23 H new ATOM 0 HA ILE A 18 -4.925 -0.432 17.874 1.00 20.02 H new ATOM 0 HB ILE A 18 -5.954 2.078 19.191 1.00 11.22 H new ATOM 0 HG12 ILE A 18 -3.573 1.675 20.365 1.00 12.44 H new ATOM 0 HG13 ILE A 18 -3.255 0.784 18.890 1.00 12.44 H new ATOM 0 HG21 ILE A 18 -5.457 0.995 21.385 1.00 14.23 H new ATOM 0 HG22 ILE A 18 -6.764 0.169 20.503 1.00 14.23 H new ATOM 0 HG23 ILE A 18 -5.129 -0.532 20.532 1.00 14.23 H new ATOM 0 HD11 ILE A 18 -2.453 3.080 18.718 1.00 40.14 H new ATOM 0 HD12 ILE A 18 -3.766 2.789 17.553 1.00 40.14 H new ATOM 0 HD13 ILE A 18 -4.089 3.693 19.051 1.00 40.14 H new ATOM 303 N SER A 19 -8.063 0.670 17.921 1.00 44.43 N ATOM 304 CA SER A 19 -9.456 0.285 18.018 1.00 0.00 C ATOM 305 C SER A 19 -10.337 1.339 17.361 1.00 2.03 C ATOM 306 O SER A 19 -10.110 2.547 17.513 1.00 63.14 O ATOM 307 CB SER A 19 -9.857 0.078 19.487 1.00 30.12 C ATOM 308 OG SER A 19 -9.478 1.186 20.292 1.00 42.22 O ATOM 0 H SER A 19 -7.916 1.671 17.792 1.00 44.43 H new ATOM 0 HA SER A 19 -9.596 -0.660 17.493 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.935 -0.069 19.554 1.00 30.12 H new ATOM 0 HB3 SER A 19 -9.387 -0.828 19.869 1.00 30.12 H new ATOM 0 HG SER A 19 -9.749 1.024 21.220 1.00 42.22 H new ATOM 314 N GLN A 20 -11.311 0.873 16.591 1.00 44.13 N ATOM 315 CA GLN A 20 -12.299 1.755 15.997 1.00 72.45 C ATOM 316 C GLN A 20 -13.396 2.031 17.014 1.00 13.14 C ATOM 317 O GLN A 20 -14.131 1.122 17.408 1.00 52.31 O ATOM 318 CB GLN A 20 -12.884 1.144 14.717 1.00 51.31 C ATOM 319 CG GLN A 20 -11.861 0.930 13.619 1.00 15.32 C ATOM 320 CD GLN A 20 -12.450 0.335 12.357 1.00 2.12 C ATOM 321 OE1 GLN A 20 -13.614 0.556 12.030 1.00 63.34 O ATOM 322 NE2 GLN A 20 -11.647 -0.445 11.650 1.00 4.41 N ATOM 0 H GLN A 20 -11.436 -0.114 16.364 1.00 44.13 H new ATOM 0 HA GLN A 20 -11.819 2.693 15.720 1.00 72.45 H new ATOM 0 HB2 GLN A 20 -13.347 0.188 14.961 1.00 51.31 H new ATOM 0 HB3 GLN A 20 -13.674 1.795 14.343 1.00 51.31 H new ATOM 0 HG2 GLN A 20 -11.393 1.884 13.378 1.00 15.32 H new ATOM 0 HG3 GLN A 20 -11.074 0.273 13.989 1.00 15.32 H new ATOM 0 HE21 GLN A 20 -10.687 -0.602 11.958 1.00 4.41 H new ATOM 0 HE22 GLN A 20 -11.988 -0.889 10.798 1.00 4.41 H new ATOM 331 N GLY A 21 -13.483 3.281 17.445 1.00 40.13 N ATOM 332 CA GLY A 21 -14.392 3.632 18.509 1.00 42.32 C ATOM 333 C GLY A 21 -15.629 4.338 18.006 1.00 3.22 C ATOM 334 O GLY A 21 -15.892 4.362 16.802 1.00 44.21 O ATOM 0 H GLY A 21 -12.937 4.058 17.073 1.00 40.13 H new ATOM 0 HA2 GLY A 21 -14.686 2.729 19.044 1.00 42.32 H new ATOM 0 HA3 GLY A 21 -13.878 4.273 19.225 1.00 42.32 H new ATOM 338 N LYS A 22 -16.381 4.909 18.939 1.00 41.13 N ATOM 339 CA LYS A 22 -17.631 5.605 18.625 1.00 54.11 C ATOM 340 C LYS A 22 -17.369 6.980 17.991 1.00 42.34 C ATOM 341 O LYS A 22 -16.929 7.918 18.666 1.00 53.04 O ATOM 342 CB LYS A 22 -18.553 5.690 19.872 1.00 53.13 C ATOM 343 CG LYS A 22 -17.855 5.681 21.247 1.00 13.31 C ATOM 344 CD LYS A 22 -17.279 7.036 21.653 1.00 72.12 C ATOM 345 CE LYS A 22 -18.368 8.081 21.859 1.00 62.04 C ATOM 346 NZ LYS A 22 -17.800 9.410 22.196 1.00 54.32 N ATOM 0 H LYS A 22 -16.146 4.905 19.932 1.00 41.13 H new ATOM 0 HA LYS A 22 -18.163 5.018 17.877 1.00 54.11 H new ATOM 0 HB2 LYS A 22 -19.146 6.602 19.796 1.00 53.13 H new ATOM 0 HB3 LYS A 22 -19.250 4.853 19.838 1.00 53.13 H new ATOM 0 HG2 LYS A 22 -18.569 5.358 22.005 1.00 13.31 H new ATOM 0 HG3 LYS A 22 -17.052 4.945 21.232 1.00 13.31 H new ATOM 0 HD2 LYS A 22 -16.705 6.925 22.573 1.00 72.12 H new ATOM 0 HD3 LYS A 22 -16.587 7.380 20.885 1.00 72.12 H new ATOM 0 HE2 LYS A 22 -18.970 8.162 20.954 1.00 62.04 H new ATOM 0 HE3 LYS A 22 -19.035 7.758 22.658 1.00 62.04 H new ATOM 0 HZ1 LYS A 22 -18.572 10.094 22.329 1.00 54.32 H new ATOM 0 HZ2 LYS A 22 -17.246 9.339 23.073 1.00 54.32 H new ATOM 0 HZ3 LYS A 22 -17.183 9.730 21.422 1.00 54.32 H new ATOM 360 N ASN A 23 -17.589 7.028 16.655 1.00 33.33 N ATOM 361 CA ASN A 23 -17.373 8.201 15.762 1.00 13.32 C ATOM 362 C ASN A 23 -15.887 8.416 15.462 1.00 44.01 C ATOM 363 O ASN A 23 -15.471 8.475 14.302 1.00 22.50 O ATOM 364 CB ASN A 23 -17.993 9.500 16.317 1.00 32.50 C ATOM 365 CG ASN A 23 -18.206 10.566 15.251 1.00 11.34 C ATOM 366 OD1 ASN A 23 -17.325 11.382 14.985 1.00 44.43 O ATOM 367 ND2 ASN A 23 -19.389 10.580 14.651 1.00 63.51 N ATOM 0 H ASN A 23 -17.937 6.217 16.144 1.00 33.33 H new ATOM 0 HA ASN A 23 -17.889 7.963 14.832 1.00 13.32 H new ATOM 0 HB2 ASN A 23 -18.949 9.267 16.785 1.00 32.50 H new ATOM 0 HB3 ASN A 23 -17.345 9.900 17.097 1.00 32.50 H new ATOM 0 HD21 ASN A 23 -19.593 11.284 13.942 1.00 63.51 H new ATOM 0 HD22 ASN A 23 -20.095 9.886 14.899 1.00 63.51 H new ATOM 374 N MET A 24 -15.104 8.523 16.520 1.00 44.44 N ATOM 375 CA MET A 24 -13.686 8.783 16.449 1.00 11.44 C ATOM 376 C MET A 24 -12.902 7.481 16.625 1.00 22.41 C ATOM 377 O MET A 24 -13.260 6.631 17.436 1.00 62.12 O ATOM 378 CB MET A 24 -13.325 9.782 17.551 1.00 15.22 C ATOM 379 CG MET A 24 -11.884 10.255 17.544 1.00 72.12 C ATOM 380 SD MET A 24 -11.348 10.776 19.174 1.00 32.34 S ATOM 381 CE MET A 24 -11.629 9.254 20.067 1.00 40.14 C ATOM 0 H MET A 24 -15.450 8.428 17.475 1.00 44.44 H new ATOM 0 HA MET A 24 -13.428 9.200 15.475 1.00 11.44 H new ATOM 0 HB2 MET A 24 -13.977 10.651 17.460 1.00 15.22 H new ATOM 0 HB3 MET A 24 -13.536 9.325 18.518 1.00 15.22 H new ATOM 0 HG2 MET A 24 -11.239 9.451 17.189 1.00 72.12 H new ATOM 0 HG3 MET A 24 -11.776 11.083 16.844 1.00 72.12 H new ATOM 0 HE1 MET A 24 -10.951 9.202 20.919 1.00 40.14 H new ATOM 0 HE2 MET A 24 -12.660 9.225 20.421 1.00 40.14 H new ATOM 0 HE3 MET A 24 -11.448 8.406 19.407 1.00 40.14 H new ATOM 391 N LEU A 25 -11.845 7.349 15.846 1.00 34.13 N ATOM 392 CA LEU A 25 -10.944 6.204 15.901 1.00 51.22 C ATOM 393 C LEU A 25 -9.718 6.528 16.742 1.00 21.32 C ATOM 394 O LEU A 25 -9.273 7.680 16.794 1.00 20.52 O ATOM 395 CB LEU A 25 -10.489 5.831 14.485 1.00 34.03 C ATOM 396 CG LEU A 25 -11.231 4.683 13.798 1.00 32.24 C ATOM 397 CD1 LEU A 25 -12.725 4.927 13.728 1.00 54.21 C ATOM 398 CD2 LEU A 25 -10.679 4.487 12.404 1.00 13.10 C ATOM 0 H LEU A 25 -11.581 8.042 15.146 1.00 34.13 H new ATOM 0 HA LEU A 25 -11.480 5.369 16.353 1.00 51.22 H new ATOM 0 HB2 LEU A 25 -10.578 6.717 13.856 1.00 34.03 H new ATOM 0 HB3 LEU A 25 -9.430 5.574 14.526 1.00 34.03 H new ATOM 0 HG LEU A 25 -11.075 3.784 14.395 1.00 32.24 H new ATOM 0 HD11 LEU A 25 -13.208 4.085 13.232 1.00 54.21 H new ATOM 0 HD12 LEU A 25 -13.124 5.032 14.737 1.00 54.21 H new ATOM 0 HD13 LEU A 25 -12.919 5.840 13.165 1.00 54.21 H new ATOM 0 HD21 LEU A 25 -11.208 3.669 11.915 1.00 13.10 H new ATOM 0 HD22 LEU A 25 -10.813 5.402 11.827 1.00 13.10 H new ATOM 0 HD23 LEU A 25 -9.617 4.248 12.463 1.00 13.10 H new ATOM 410 N ILE A 26 -9.178 5.509 17.400 1.00 21.32 N ATOM 411 CA ILE A 26 -7.919 5.656 18.114 1.00 35.11 C ATOM 412 C ILE A 26 -6.791 5.162 17.212 1.00 51.24 C ATOM 413 O ILE A 26 -6.657 3.957 16.980 1.00 1.51 O ATOM 414 CB ILE A 26 -7.899 4.857 19.462 1.00 44.13 C ATOM 415 CG1 ILE A 26 -9.033 5.308 20.401 1.00 43.41 C ATOM 416 CG2 ILE A 26 -6.544 4.985 20.170 1.00 2.12 C ATOM 417 CD1 ILE A 26 -8.971 6.768 20.817 1.00 75.02 C ATOM 0 H ILE A 26 -9.591 4.578 17.453 1.00 21.32 H new ATOM 0 HA ILE A 26 -7.791 6.709 18.364 1.00 35.11 H new ATOM 0 HB ILE A 26 -8.058 3.808 19.212 1.00 44.13 H new ATOM 0 HG12 ILE A 26 -9.988 5.125 19.909 1.00 43.41 H new ATOM 0 HG13 ILE A 26 -9.012 4.688 21.297 1.00 43.41 H new ATOM 0 HG21 ILE A 26 -6.565 4.419 21.101 1.00 2.12 H new ATOM 0 HG22 ILE A 26 -5.758 4.593 19.525 1.00 2.12 H new ATOM 0 HG23 ILE A 26 -6.345 6.034 20.388 1.00 2.12 H new ATOM 0 HD11 ILE A 26 -9.809 6.994 21.477 1.00 75.02 H new ATOM 0 HD12 ILE A 26 -8.034 6.957 21.341 1.00 75.02 H new ATOM 0 HD13 ILE A 26 -9.025 7.401 19.931 1.00 75.02 H new ATOM 429 N VAL A 27 -6.010 6.090 16.683 1.00 43.00 N ATOM 430 CA VAL A 27 -4.833 5.727 15.914 1.00 11.31 C ATOM 431 C VAL A 27 -3.602 6.362 16.538 1.00 44.34 C ATOM 432 O VAL A 27 -3.716 7.274 17.349 1.00 61.34 O ATOM 433 CB VAL A 27 -4.916 6.103 14.398 1.00 45.02 C ATOM 434 CG1 VAL A 27 -6.035 5.356 13.698 1.00 54.12 C ATOM 435 CG2 VAL A 27 -5.076 7.599 14.184 1.00 63.50 C ATOM 0 H VAL A 27 -6.169 7.094 16.772 1.00 43.00 H new ATOM 0 HA VAL A 27 -4.769 4.639 15.949 1.00 11.31 H new ATOM 0 HB VAL A 27 -3.966 5.801 13.957 1.00 45.02 H new ATOM 0 HG11 VAL A 27 -6.062 5.643 12.647 1.00 54.12 H new ATOM 0 HG12 VAL A 27 -5.861 4.283 13.777 1.00 54.12 H new ATOM 0 HG13 VAL A 27 -6.987 5.605 14.166 1.00 54.12 H new ATOM 0 HG21 VAL A 27 -5.129 7.810 13.116 1.00 63.50 H new ATOM 0 HG22 VAL A 27 -5.992 7.940 14.667 1.00 63.50 H new ATOM 0 HG23 VAL A 27 -4.222 8.122 14.615 1.00 63.50 H new ATOM 445 N GLU A 28 -2.440 5.838 16.199 1.00 22.23 N ATOM 446 CA GLU A 28 -1.176 6.415 16.625 1.00 3.05 C ATOM 447 C GLU A 28 -0.227 6.515 15.455 1.00 55.32 C ATOM 448 O GLU A 28 -0.321 5.750 14.499 1.00 10.44 O ATOM 449 CB GLU A 28 -0.521 5.578 17.727 1.00 54.24 C ATOM 450 CG GLU A 28 -1.168 5.715 19.095 1.00 20.11 C ATOM 451 CD GLU A 28 -0.487 4.882 20.163 1.00 64.34 C ATOM 452 OE1 GLU A 28 0.231 3.923 19.814 1.00 2.13 O ATOM 453 OE2 GLU A 28 -0.670 5.186 21.361 1.00 53.30 O ATOM 0 H GLU A 28 -2.344 5.002 15.622 1.00 22.23 H new ATOM 0 HA GLU A 28 -1.387 7.409 17.019 1.00 3.05 H new ATOM 0 HB2 GLU A 28 -0.546 4.529 17.431 1.00 54.24 H new ATOM 0 HB3 GLU A 28 0.528 5.862 17.806 1.00 54.24 H new ATOM 0 HG2 GLU A 28 -1.151 6.763 19.395 1.00 20.11 H new ATOM 0 HG3 GLU A 28 -2.215 5.420 19.026 1.00 20.11 H new ATOM 460 N THR A 29 0.681 7.464 15.531 1.00 30.04 N ATOM 461 CA THR A 29 1.745 7.563 14.561 1.00 12.13 C ATOM 462 C THR A 29 2.837 6.572 14.945 1.00 41.52 C ATOM 463 O THR A 29 3.226 6.507 16.118 1.00 43.13 O ATOM 464 CB THR A 29 2.320 8.986 14.498 1.00 35.40 C ATOM 465 OG1 THR A 29 1.257 9.935 14.611 1.00 1.02 O ATOM 466 CG2 THR A 29 3.052 9.217 13.184 1.00 71.30 C ATOM 0 H THR A 29 0.702 8.179 16.258 1.00 30.04 H new ATOM 0 HA THR A 29 1.349 7.331 13.572 1.00 12.13 H new ATOM 0 HB THR A 29 3.025 9.108 15.320 1.00 35.40 H new ATOM 0 HG1 THR A 29 1.554 10.801 14.262 1.00 1.02 H new ATOM 0 HG21 THR A 29 3.450 10.231 13.163 1.00 71.30 H new ATOM 0 HG22 THR A 29 3.871 8.504 13.094 1.00 71.30 H new ATOM 0 HG23 THR A 29 2.360 9.082 12.353 1.00 71.30 H new ATOM 474 N VAL A 30 3.243 5.766 13.963 1.00 21.13 N ATOM 475 CA VAL A 30 4.259 4.722 14.125 1.00 31.04 C ATOM 476 C VAL A 30 5.549 5.264 14.763 1.00 14.02 C ATOM 477 O VAL A 30 5.918 4.846 15.865 1.00 35.24 O ATOM 478 CB VAL A 30 4.554 4.064 12.750 1.00 63.12 C ATOM 479 CG1 VAL A 30 5.568 2.934 12.876 1.00 44.44 C ATOM 480 CG2 VAL A 30 3.275 3.541 12.139 1.00 63.52 C ATOM 0 H VAL A 30 2.869 5.820 13.016 1.00 21.13 H new ATOM 0 HA VAL A 30 3.865 3.969 14.808 1.00 31.04 H new ATOM 0 HB VAL A 30 4.981 4.828 12.101 1.00 63.12 H new ATOM 0 HG11 VAL A 30 5.750 2.497 11.894 1.00 44.44 H new ATOM 0 HG12 VAL A 30 6.502 3.327 13.277 1.00 44.44 H new ATOM 0 HG13 VAL A 30 5.178 2.169 13.547 1.00 44.44 H new ATOM 0 HG21 VAL A 30 3.494 3.082 11.175 1.00 63.52 H new ATOM 0 HG22 VAL A 30 2.832 2.799 12.803 1.00 63.52 H new ATOM 0 HG23 VAL A 30 2.576 4.365 11.998 1.00 63.52 H new ATOM 490 N ASP A 31 6.198 6.202 14.092 1.00 11.31 N ATOM 491 CA ASP A 31 7.371 6.865 14.636 1.00 3.05 C ATOM 492 C ASP A 31 7.418 8.288 14.073 1.00 31.52 C ATOM 493 O ASP A 31 6.454 8.708 13.424 1.00 34.24 O ATOM 494 CB ASP A 31 8.658 6.078 14.317 1.00 15.14 C ATOM 495 CG ASP A 31 9.616 6.058 15.497 1.00 13.34 C ATOM 496 OD1 ASP A 31 10.200 7.117 15.809 1.00 55.21 O ATOM 497 OD2 ASP A 31 9.768 4.999 16.137 1.00 22.15 O ATOM 0 H ASP A 31 5.929 6.523 13.162 1.00 11.31 H new ATOM 0 HA ASP A 31 7.304 6.908 15.723 1.00 3.05 H new ATOM 0 HB2 ASP A 31 8.400 5.056 14.042 1.00 15.14 H new ATOM 0 HB3 ASP A 31 9.153 6.525 13.455 1.00 15.14 H new ATOM 502 N ALA A 32 8.519 9.015 14.356 1.00 41.20 N ATOM 503 CA ALA A 32 8.747 10.439 13.978 1.00 74.45 C ATOM 504 C ALA A 32 7.898 11.433 14.794 1.00 62.02 C ATOM 505 O ALA A 32 8.434 12.386 15.347 1.00 63.13 O ATOM 506 CB ALA A 32 8.605 10.679 12.472 1.00 24.44 C ATOM 0 H ALA A 32 9.305 8.620 14.872 1.00 41.20 H new ATOM 0 HA ALA A 32 9.786 10.639 14.239 1.00 74.45 H new ATOM 0 HB1 ALA A 32 8.781 11.732 12.253 1.00 24.44 H new ATOM 0 HB2 ALA A 32 9.333 10.070 11.936 1.00 24.44 H new ATOM 0 HB3 ALA A 32 7.599 10.406 12.153 1.00 24.44 H new ATOM 512 N ALA A 33 6.595 11.198 14.875 1.00 4.12 N ATOM 513 CA ALA A 33 5.703 12.016 15.685 1.00 45.13 C ATOM 514 C ALA A 33 5.286 11.242 16.931 1.00 12.34 C ATOM 515 O ALA A 33 5.236 11.813 18.026 1.00 31.42 O ATOM 516 CB ALA A 33 4.482 12.430 14.881 1.00 61.35 C ATOM 0 H ALA A 33 6.128 10.437 14.382 1.00 4.12 H new ATOM 0 HA ALA A 33 6.230 12.920 15.989 1.00 45.13 H new ATOM 0 HB1 ALA A 33 3.827 13.041 15.503 1.00 61.35 H new ATOM 0 HB2 ALA A 33 4.797 13.006 14.011 1.00 61.35 H new ATOM 0 HB3 ALA A 33 3.944 11.541 14.552 1.00 61.35 H new ATOM 522 N LYS A 34 5.036 9.918 16.739 1.00 41.13 N ATOM 523 CA LYS A 34 4.598 8.975 17.802 1.00 4.04 C ATOM 524 C LYS A 34 3.404 9.474 18.645 1.00 63.52 C ATOM 525 O LYS A 34 3.265 9.128 19.823 1.00 62.21 O ATOM 526 CB LYS A 34 5.801 8.618 18.695 1.00 25.51 C ATOM 527 CG LYS A 34 6.851 7.787 17.973 1.00 15.31 C ATOM 528 CD LYS A 34 8.041 7.445 18.856 1.00 52.31 C ATOM 529 CE LYS A 34 8.945 8.642 19.124 1.00 50.32 C ATOM 530 NZ LYS A 34 9.572 9.167 17.880 1.00 34.32 N ATOM 0 H LYS A 34 5.135 9.471 15.828 1.00 41.13 H new ATOM 0 HA LYS A 34 4.226 8.083 17.297 1.00 4.04 H new ATOM 0 HB2 LYS A 34 6.261 9.536 19.060 1.00 25.51 H new ATOM 0 HB3 LYS A 34 5.448 8.069 19.568 1.00 25.51 H new ATOM 0 HG2 LYS A 34 6.394 6.865 17.614 1.00 15.31 H new ATOM 0 HG3 LYS A 34 7.200 8.333 17.096 1.00 15.31 H new ATOM 0 HD2 LYS A 34 7.680 7.049 19.805 1.00 52.31 H new ATOM 0 HD3 LYS A 34 8.624 6.655 18.382 1.00 52.31 H new ATOM 0 HE2 LYS A 34 8.365 9.434 19.598 1.00 50.32 H new ATOM 0 HE3 LYS A 34 9.726 8.354 19.828 1.00 50.32 H new ATOM 0 HZ1 LYS A 34 10.465 9.645 18.116 1.00 34.32 H new ATOM 0 HZ2 LYS A 34 9.763 8.379 17.228 1.00 34.32 H new ATOM 0 HZ3 LYS A 34 8.927 9.844 17.425 1.00 34.32 H new ATOM 544 N LYS A 35 2.520 10.245 18.020 1.00 60.24 N ATOM 545 CA LYS A 35 1.405 10.868 18.727 1.00 41.31 C ATOM 546 C LYS A 35 0.126 10.047 18.596 1.00 20.25 C ATOM 547 O LYS A 35 -0.069 9.345 17.610 1.00 30.21 O ATOM 548 CB LYS A 35 1.178 12.306 18.213 1.00 44.42 C ATOM 549 CG LYS A 35 0.969 12.410 16.706 1.00 33.35 C ATOM 550 CD LYS A 35 0.760 13.841 16.235 1.00 42.22 C ATOM 551 CE LYS A 35 -0.582 14.401 16.678 1.00 52.44 C ATOM 552 NZ LYS A 35 -0.832 15.749 16.106 1.00 2.40 N ATOM 0 H LYS A 35 2.554 10.454 17.022 1.00 60.24 H new ATOM 0 HA LYS A 35 1.665 10.907 19.785 1.00 41.31 H new ATOM 0 HB2 LYS A 35 0.308 12.726 18.718 1.00 44.42 H new ATOM 0 HB3 LYS A 35 2.036 12.918 18.492 1.00 44.42 H new ATOM 0 HG2 LYS A 35 1.833 11.987 16.194 1.00 33.35 H new ATOM 0 HG3 LYS A 35 0.105 11.809 16.422 1.00 33.35 H new ATOM 0 HD2 LYS A 35 1.561 14.470 16.624 1.00 42.22 H new ATOM 0 HD3 LYS A 35 0.826 13.877 15.148 1.00 42.22 H new ATOM 0 HE2 LYS A 35 -1.378 13.723 16.372 1.00 52.44 H new ATOM 0 HE3 LYS A 35 -0.612 14.456 17.766 1.00 52.44 H new ATOM 0 HZ1 LYS A 35 -1.756 16.098 16.431 1.00 2.40 H new ATOM 0 HZ2 LYS A 35 -0.086 16.403 16.419 1.00 2.40 H new ATOM 0 HZ3 LYS A 35 -0.829 15.692 15.068 1.00 2.40 H new ATOM 566 N ARG A 36 -0.733 10.127 19.608 1.00 10.31 N ATOM 567 CA ARG A 36 -2.047 9.505 19.544 1.00 71.23 C ATOM 568 C ARG A 36 -3.001 10.448 18.815 1.00 2.40 C ATOM 569 O ARG A 36 -3.444 11.463 19.363 1.00 5.33 O ATOM 570 CB ARG A 36 -2.567 9.185 20.945 1.00 30.03 C ATOM 571 CG ARG A 36 -3.722 8.188 20.968 1.00 31.44 C ATOM 572 CD ARG A 36 -4.328 8.063 22.363 1.00 42.30 C ATOM 573 NE ARG A 36 -3.317 7.795 23.396 1.00 72.11 N ATOM 574 CZ ARG A 36 -3.491 8.027 24.705 1.00 30.31 C ATOM 575 NH1 ARG A 36 -4.675 8.424 25.172 1.00 24.24 N ATOM 576 NH2 ARG A 36 -2.478 7.839 25.546 1.00 3.14 N ATOM 0 H ARG A 36 -0.540 10.617 20.482 1.00 10.31 H new ATOM 0 HA ARG A 36 -1.977 8.563 19.000 1.00 71.23 H new ATOM 0 HB2 ARG A 36 -1.747 8.788 21.544 1.00 30.03 H new ATOM 0 HB3 ARG A 36 -2.891 10.111 21.421 1.00 30.03 H new ATOM 0 HG2 ARG A 36 -4.491 8.505 20.264 1.00 31.44 H new ATOM 0 HG3 ARG A 36 -3.368 7.212 20.636 1.00 31.44 H new ATOM 0 HD2 ARG A 36 -4.858 8.983 22.609 1.00 42.30 H new ATOM 0 HD3 ARG A 36 -5.065 7.260 22.364 1.00 42.30 H new ATOM 0 HE ARG A 36 -2.423 7.406 23.097 1.00 72.11 H new ATOM 0 HH11 ARG A 36 -5.458 8.554 24.532 1.00 24.24 H new ATOM 0 HH12 ARG A 36 -4.797 8.598 26.170 1.00 24.24 H new ATOM 0 HH21 ARG A 36 -1.575 7.520 25.194 1.00 3.14 H new ATOM 0 HH22 ARG A 36 -2.604 8.014 26.543 1.00 3.14 H new ATOM 590 N VAL A 37 -3.277 10.106 17.571 1.00 24.11 N ATOM 591 CA VAL A 37 -4.051 10.939 16.667 1.00 22.32 C ATOM 592 C VAL A 37 -5.537 10.560 16.750 1.00 41.30 C ATOM 593 O VAL A 37 -5.874 9.373 16.778 1.00 14.15 O ATOM 594 CB VAL A 37 -3.549 10.771 15.196 1.00 51.02 C ATOM 595 CG1 VAL A 37 -4.142 11.814 14.265 1.00 75.13 C ATOM 596 CG2 VAL A 37 -2.033 10.817 15.114 1.00 53.21 C ATOM 0 H VAL A 37 -2.966 9.229 17.153 1.00 24.11 H new ATOM 0 HA VAL A 37 -3.923 11.980 16.964 1.00 22.32 H new ATOM 0 HB VAL A 37 -3.890 9.789 14.870 1.00 51.02 H new ATOM 0 HG11 VAL A 37 -3.764 11.657 13.255 1.00 75.13 H new ATOM 0 HG12 VAL A 37 -5.228 11.725 14.264 1.00 75.13 H new ATOM 0 HG13 VAL A 37 -3.860 12.810 14.607 1.00 75.13 H new ATOM 0 HG21 VAL A 37 -1.721 10.697 14.077 1.00 53.21 H new ATOM 0 HG22 VAL A 37 -1.677 11.776 15.491 1.00 53.21 H new ATOM 0 HG23 VAL A 37 -1.611 10.011 15.715 1.00 53.21 H new ATOM 606 N PRO A 38 -6.446 11.551 16.854 1.00 30.01 N ATOM 607 CA PRO A 38 -7.869 11.300 16.681 1.00 45.52 C ATOM 608 C PRO A 38 -8.268 11.220 15.196 1.00 24.33 C ATOM 609 O PRO A 38 -8.330 12.231 14.484 1.00 2.13 O ATOM 610 CB PRO A 38 -8.538 12.484 17.379 1.00 75.13 C ATOM 611 CG PRO A 38 -7.529 13.589 17.377 1.00 45.45 C ATOM 612 CD PRO A 38 -6.167 12.960 17.206 1.00 24.25 C ATOM 0 HA PRO A 38 -8.171 10.339 17.098 1.00 45.52 H new ATOM 0 HB2 PRO A 38 -9.446 12.784 16.855 1.00 75.13 H new ATOM 0 HB3 PRO A 38 -8.829 12.223 18.397 1.00 75.13 H new ATOM 0 HG2 PRO A 38 -7.731 14.291 16.568 1.00 45.45 H new ATOM 0 HG3 PRO A 38 -7.577 14.153 18.308 1.00 45.45 H new ATOM 0 HD2 PRO A 38 -5.596 13.458 16.422 1.00 24.25 H new ATOM 0 HD3 PRO A 38 -5.580 13.031 18.122 1.00 24.25 H new ATOM 620 N ALA A 39 -8.500 9.996 14.736 1.00 35.41 N ATOM 621 CA ALA A 39 -9.003 9.751 13.388 1.00 21.34 C ATOM 622 C ALA A 39 -10.515 9.648 13.444 1.00 14.53 C ATOM 623 O ALA A 39 -11.084 9.712 14.521 1.00 63.42 O ATOM 624 CB ALA A 39 -8.399 8.479 12.815 1.00 43.20 C ATOM 0 H ALA A 39 -8.346 9.149 15.283 1.00 35.41 H new ATOM 0 HA ALA A 39 -8.718 10.576 12.735 1.00 21.34 H new ATOM 0 HB1 ALA A 39 -8.786 8.313 11.810 1.00 43.20 H new ATOM 0 HB2 ALA A 39 -7.314 8.577 12.775 1.00 43.20 H new ATOM 0 HB3 ALA A 39 -8.663 7.633 13.449 1.00 43.20 H new ATOM 630 N TYR A 40 -11.177 9.534 12.305 1.00 14.51 N ATOM 631 CA TYR A 40 -12.634 9.410 12.295 1.00 22.21 C ATOM 632 C TYR A 40 -13.099 8.331 11.332 1.00 23.43 C ATOM 633 O TYR A 40 -12.377 7.953 10.408 1.00 71.02 O ATOM 634 CB TYR A 40 -13.301 10.760 11.966 1.00 64.53 C ATOM 635 CG TYR A 40 -13.161 11.773 13.081 1.00 21.42 C ATOM 636 CD1 TYR A 40 -14.017 11.750 14.172 1.00 43.32 C ATOM 637 CD2 TYR A 40 -12.146 12.721 13.066 1.00 43.20 C ATOM 638 CE1 TYR A 40 -13.866 12.642 15.214 1.00 10.20 C ATOM 639 CE2 TYR A 40 -11.993 13.615 14.103 1.00 60.32 C ATOM 640 CZ TYR A 40 -12.852 13.569 15.174 1.00 32.32 C ATOM 641 OH TYR A 40 -12.697 14.460 16.209 1.00 64.52 O ATOM 0 H TYR A 40 -10.740 9.524 11.383 1.00 14.51 H new ATOM 0 HA TYR A 40 -12.941 9.111 13.297 1.00 22.21 H new ATOM 0 HB2 TYR A 40 -12.859 11.166 11.056 1.00 64.53 H new ATOM 0 HB3 TYR A 40 -14.359 10.596 11.761 1.00 64.53 H new ATOM 0 HD1 TYR A 40 -14.814 11.022 14.207 1.00 43.32 H new ATOM 0 HD2 TYR A 40 -11.466 12.758 12.228 1.00 43.20 H new ATOM 0 HE1 TYR A 40 -14.541 12.612 16.057 1.00 10.20 H new ATOM 0 HE2 TYR A 40 -11.201 14.349 14.074 1.00 60.32 H new ATOM 0 HH TYR A 40 -11.933 15.046 16.025 1.00 64.52 H new ATOM 651 N ALA A 41 -14.328 7.859 11.555 1.00 72.50 N ATOM 652 CA ALA A 41 -14.963 6.854 10.701 1.00 74.44 C ATOM 653 C ALA A 41 -15.591 7.491 9.449 1.00 21.54 C ATOM 654 O ALA A 41 -16.149 6.800 8.596 1.00 44.51 O ATOM 655 CB ALA A 41 -16.017 6.099 11.498 1.00 51.35 C ATOM 0 H ALA A 41 -14.911 8.164 12.334 1.00 72.50 H new ATOM 0 HA ALA A 41 -14.195 6.158 10.363 1.00 74.44 H new ATOM 0 HB1 ALA A 41 -16.489 5.351 10.861 1.00 51.35 H new ATOM 0 HB2 ALA A 41 -15.546 5.606 12.348 1.00 51.35 H new ATOM 0 HB3 ALA A 41 -16.772 6.798 11.857 1.00 51.35 H new ATOM 661 N HIS A 42 -15.489 8.820 9.350 1.00 51.41 N ATOM 662 CA HIS A 42 -15.953 9.560 8.176 1.00 33.01 C ATOM 663 C HIS A 42 -14.790 9.801 7.203 1.00 11.11 C ATOM 664 O HIS A 42 -14.951 10.449 6.167 1.00 22.53 O ATOM 665 CB HIS A 42 -16.584 10.903 8.587 1.00 50.52 C ATOM 666 CG HIS A 42 -17.833 10.784 9.415 1.00 35.41 C ATOM 667 ND1 HIS A 42 -18.031 11.489 10.582 1.00 45.10 N ATOM 668 CD2 HIS A 42 -18.960 10.063 9.221 1.00 35.14 C ATOM 669 CE1 HIS A 42 -19.223 11.205 11.075 1.00 10.34 C ATOM 670 NE2 HIS A 42 -19.806 10.343 10.267 1.00 63.10 N ATOM 0 H HIS A 42 -15.085 9.409 10.078 1.00 51.41 H new ATOM 0 HA HIS A 42 -16.714 8.960 7.677 1.00 33.01 H new ATOM 0 HB2 HIS A 42 -15.847 11.479 9.147 1.00 50.52 H new ATOM 0 HB3 HIS A 42 -16.815 11.471 7.686 1.00 50.52 H new ATOM 0 HD2 HIS A 42 -19.158 9.392 8.398 1.00 35.14 H new ATOM 0 HE1 HIS A 42 -19.646 11.609 11.983 1.00 10.34 H new ATOM 0 HE2 HIS A 42 -20.737 9.947 10.397 1.00 63.10 H new ATOM 679 N ASP A 43 -13.623 9.262 7.555 1.00 22.15 N ATOM 680 CA ASP A 43 -12.425 9.356 6.733 1.00 71.42 C ATOM 681 C ASP A 43 -12.171 7.990 6.087 1.00 20.23 C ATOM 682 O ASP A 43 -12.730 6.983 6.536 1.00 65.20 O ATOM 683 CB ASP A 43 -11.236 9.766 7.617 1.00 25.12 C ATOM 684 CG ASP A 43 -10.151 10.509 6.864 1.00 13.44 C ATOM 685 OD1 ASP A 43 -9.315 9.864 6.207 1.00 41.34 O ATOM 686 OD2 ASP A 43 -10.135 11.752 6.933 1.00 1.20 O ATOM 0 H ASP A 43 -13.485 8.746 8.424 1.00 22.15 H new ATOM 0 HA ASP A 43 -12.552 10.106 5.952 1.00 71.42 H new ATOM 0 HB2 ASP A 43 -11.598 10.394 8.431 1.00 25.12 H new ATOM 0 HB3 ASP A 43 -10.806 8.873 8.071 1.00 25.12 H new ATOM 691 N LYS A 44 -11.355 7.951 5.033 1.00 3.41 N ATOM 692 CA LYS A 44 -11.017 6.698 4.356 1.00 51.42 C ATOM 693 C LYS A 44 -9.922 5.950 5.114 1.00 45.42 C ATOM 694 O LYS A 44 -8.727 6.181 4.904 1.00 1.34 O ATOM 695 CB LYS A 44 -10.580 6.953 2.910 1.00 13.04 C ATOM 696 CG LYS A 44 -11.696 7.428 1.995 1.00 20.23 C ATOM 697 CD LYS A 44 -12.708 6.326 1.716 1.00 22.41 C ATOM 698 CE LYS A 44 -13.845 6.815 0.827 1.00 41.14 C ATOM 699 NZ LYS A 44 -13.359 7.295 -0.498 1.00 54.11 N ATOM 0 H LYS A 44 -10.914 8.777 4.628 1.00 3.41 H new ATOM 0 HA LYS A 44 -11.914 6.079 4.339 1.00 51.42 H new ATOM 0 HB2 LYS A 44 -9.784 7.697 2.909 1.00 13.04 H new ATOM 0 HB3 LYS A 44 -10.158 6.034 2.503 1.00 13.04 H new ATOM 0 HG2 LYS A 44 -12.202 8.279 2.451 1.00 20.23 H new ATOM 0 HG3 LYS A 44 -11.270 7.777 1.054 1.00 20.23 H new ATOM 0 HD2 LYS A 44 -12.207 5.485 1.236 1.00 22.41 H new ATOM 0 HD3 LYS A 44 -13.115 5.959 2.658 1.00 22.41 H new ATOM 0 HE2 LYS A 44 -14.561 6.006 0.678 1.00 41.14 H new ATOM 0 HE3 LYS A 44 -14.376 7.622 1.331 1.00 41.14 H new ATOM 0 HZ1 LYS A 44 -14.170 7.441 -1.133 1.00 54.11 H new ATOM 0 HZ2 LYS A 44 -12.848 8.193 -0.376 1.00 54.11 H new ATOM 0 HZ3 LYS A 44 -12.719 6.586 -0.911 1.00 54.11 H new ATOM 713 N VAL A 45 -10.355 5.083 6.028 1.00 21.21 N ATOM 714 CA VAL A 45 -9.447 4.257 6.808 1.00 10.14 C ATOM 715 C VAL A 45 -9.608 2.796 6.376 1.00 64.32 C ATOM 716 O VAL A 45 -10.594 2.140 6.716 1.00 20.24 O ATOM 717 CB VAL A 45 -9.717 4.385 8.336 1.00 3.44 C ATOM 718 CG1 VAL A 45 -8.613 3.717 9.140 1.00 62.43 C ATOM 719 CG2 VAL A 45 -9.872 5.841 8.766 1.00 60.33 C ATOM 0 H VAL A 45 -11.341 4.937 6.245 1.00 21.21 H new ATOM 0 HA VAL A 45 -8.429 4.599 6.624 1.00 10.14 H new ATOM 0 HB VAL A 45 -10.659 3.875 8.538 1.00 3.44 H new ATOM 0 HG11 VAL A 45 -8.825 3.820 10.204 1.00 62.43 H new ATOM 0 HG12 VAL A 45 -8.563 2.659 8.881 1.00 62.43 H new ATOM 0 HG13 VAL A 45 -7.659 4.192 8.912 1.00 62.43 H new ATOM 0 HG21 VAL A 45 -10.059 5.886 9.839 1.00 60.33 H new ATOM 0 HG22 VAL A 45 -8.958 6.388 8.534 1.00 60.33 H new ATOM 0 HG23 VAL A 45 -10.710 6.291 8.233 1.00 60.33 H new ATOM 729 N ILE A 46 -8.644 2.314 5.603 1.00 31.54 N ATOM 730 CA ILE A 46 -8.669 0.959 5.047 1.00 54.15 C ATOM 731 C ILE A 46 -7.395 0.246 5.470 1.00 42.33 C ATOM 732 O ILE A 46 -6.337 0.813 5.323 1.00 42.30 O ATOM 733 CB ILE A 46 -8.733 0.988 3.481 1.00 24.54 C ATOM 734 CG1 ILE A 46 -9.969 1.752 2.951 1.00 4.32 C ATOM 735 CG2 ILE A 46 -8.685 -0.418 2.886 1.00 64.31 C ATOM 736 CD1 ILE A 46 -11.313 1.225 3.425 1.00 40.10 C ATOM 0 H ILE A 46 -7.817 2.851 5.340 1.00 31.54 H new ATOM 0 HA ILE A 46 -9.555 0.443 5.418 1.00 54.15 H new ATOM 0 HB ILE A 46 -7.846 1.531 3.155 1.00 24.54 H new ATOM 0 HG12 ILE A 46 -9.883 2.798 3.247 1.00 4.32 H new ATOM 0 HG13 ILE A 46 -9.951 1.726 1.861 1.00 4.32 H new ATOM 0 HG21 ILE A 46 -8.732 -0.355 1.799 1.00 64.31 H new ATOM 0 HG22 ILE A 46 -7.757 -0.907 3.182 1.00 64.31 H new ATOM 0 HG23 ILE A 46 -9.533 -0.997 3.252 1.00 64.31 H new ATOM 0 HD11 ILE A 46 -12.112 1.830 2.997 1.00 40.10 H new ATOM 0 HD12 ILE A 46 -11.431 0.189 3.106 1.00 40.10 H new ATOM 0 HD13 ILE A 46 -11.361 1.277 4.513 1.00 40.10 H new ATOM 748 N SER A 47 -7.495 -0.983 5.976 1.00 52.02 N ATOM 749 CA SER A 47 -6.313 -1.761 6.368 1.00 55.23 C ATOM 750 C SER A 47 -5.373 -1.979 5.172 1.00 23.34 C ATOM 751 O SER A 47 -5.830 -2.298 4.073 1.00 23.21 O ATOM 752 CB SER A 47 -6.747 -3.109 6.944 1.00 71.40 C ATOM 753 OG SER A 47 -7.717 -2.944 7.964 1.00 64.13 O ATOM 0 H SER A 47 -8.382 -1.464 6.125 1.00 52.02 H new ATOM 0 HA SER A 47 -5.770 -1.199 7.128 1.00 55.23 H new ATOM 0 HB2 SER A 47 -7.155 -3.733 6.148 1.00 71.40 H new ATOM 0 HB3 SER A 47 -5.879 -3.632 7.346 1.00 71.40 H new ATOM 0 HG SER A 47 -8.401 -3.641 7.881 1.00 64.13 H new ATOM 759 N LEU A 48 -4.067 -1.761 5.375 1.00 40.11 N ATOM 760 CA LEU A 48 -3.086 -1.924 4.300 1.00 20.23 C ATOM 761 C LEU A 48 -2.859 -3.407 3.979 1.00 72.15 C ATOM 762 O LEU A 48 -2.469 -3.755 2.863 1.00 1.41 O ATOM 763 CB LEU A 48 -1.763 -1.236 4.651 1.00 25.44 C ATOM 764 CG LEU A 48 -0.824 -1.000 3.461 1.00 23.12 C ATOM 765 CD1 LEU A 48 -1.476 -0.083 2.441 1.00 53.13 C ATOM 766 CD2 LEU A 48 0.483 -0.404 3.922 1.00 31.34 C ATOM 0 H LEU A 48 -3.669 -1.473 6.269 1.00 40.11 H new ATOM 0 HA LEU A 48 -3.490 -1.444 3.409 1.00 20.23 H new ATOM 0 HB2 LEU A 48 -1.982 -0.276 5.119 1.00 25.44 H new ATOM 0 HB3 LEU A 48 -1.241 -1.840 5.393 1.00 25.44 H new ATOM 0 HG LEU A 48 -0.624 -1.964 2.994 1.00 23.12 H new ATOM 0 HD11 LEU A 48 -0.795 0.073 1.604 1.00 53.13 H new ATOM 0 HD12 LEU A 48 -2.398 -0.539 2.079 1.00 53.13 H new ATOM 0 HD13 LEU A 48 -1.704 0.876 2.907 1.00 53.13 H new ATOM 0 HD21 LEU A 48 1.134 -0.245 3.062 1.00 31.34 H new ATOM 0 HD22 LEU A 48 0.294 0.549 4.415 1.00 31.34 H new ATOM 0 HD23 LEU A 48 0.967 -1.085 4.622 1.00 31.34 H new ATOM 778 N ALA A 49 -3.133 -4.276 4.966 1.00 5.55 N ATOM 779 CA ALA A 49 -3.140 -5.722 4.752 1.00 10.03 C ATOM 780 C ALA A 49 -4.324 -6.147 3.863 1.00 22.33 C ATOM 781 O ALA A 49 -4.266 -7.155 3.158 1.00 15.44 O ATOM 782 CB ALA A 49 -3.210 -6.442 6.083 1.00 41.24 C ATOM 0 H ALA A 49 -3.353 -3.995 5.922 1.00 5.55 H new ATOM 0 HA ALA A 49 -2.216 -5.993 4.241 1.00 10.03 H new ATOM 0 HB1 ALA A 49 -3.215 -7.519 5.914 1.00 41.24 H new ATOM 0 HB2 ALA A 49 -2.344 -6.173 6.688 1.00 41.24 H new ATOM 0 HB3 ALA A 49 -4.122 -6.153 6.606 1.00 41.24 H new ATOM 788 N ASP A 50 -5.385 -5.335 3.901 1.00 65.14 N ATOM 789 CA ASP A 50 -6.623 -5.579 3.161 1.00 2.44 C ATOM 790 C ASP A 50 -6.521 -5.061 1.711 1.00 31.25 C ATOM 791 O ASP A 50 -7.302 -5.472 0.851 1.00 24.12 O ATOM 792 CB ASP A 50 -7.784 -4.899 3.919 1.00 72.42 C ATOM 793 CG ASP A 50 -9.163 -5.153 3.340 1.00 41.43 C ATOM 794 OD1 ASP A 50 -9.669 -6.283 3.468 1.00 34.14 O ATOM 795 OD2 ASP A 50 -9.757 -4.206 2.785 1.00 35.24 O ATOM 0 H ASP A 50 -5.406 -4.479 4.455 1.00 65.14 H new ATOM 0 HA ASP A 50 -6.806 -6.652 3.096 1.00 2.44 H new ATOM 0 HB2 ASP A 50 -7.772 -5.241 4.954 1.00 72.42 H new ATOM 0 HB3 ASP A 50 -7.606 -3.824 3.937 1.00 72.42 H new ATOM 800 N ILE A 51 -5.544 -4.174 1.445 1.00 61.35 N ATOM 801 CA ILE A 51 -5.311 -3.651 0.091 1.00 75.03 C ATOM 802 C ILE A 51 -4.816 -4.774 -0.831 1.00 55.33 C ATOM 803 O ILE A 51 -3.842 -5.467 -0.522 1.00 61.41 O ATOM 804 CB ILE A 51 -4.276 -2.479 0.056 1.00 12.43 C ATOM 805 CG1 ILE A 51 -4.686 -1.313 0.971 1.00 62.22 C ATOM 806 CG2 ILE A 51 -4.085 -1.952 -1.367 1.00 11.01 C ATOM 807 CD1 ILE A 51 -5.973 -0.613 0.574 1.00 2.11 C ATOM 0 H ILE A 51 -4.906 -3.807 2.151 1.00 61.35 H new ATOM 0 HA ILE A 51 -6.268 -3.259 -0.254 1.00 75.03 H new ATOM 0 HB ILE A 51 -3.336 -2.892 0.422 1.00 12.43 H new ATOM 0 HG12 ILE A 51 -4.793 -1.689 1.989 1.00 62.22 H new ATOM 0 HG13 ILE A 51 -3.880 -0.580 0.985 1.00 62.22 H new ATOM 0 HG21 ILE A 51 -3.360 -1.138 -1.359 1.00 11.01 H new ATOM 0 HG22 ILE A 51 -3.721 -2.756 -2.007 1.00 11.01 H new ATOM 0 HG23 ILE A 51 -5.037 -1.586 -1.750 1.00 11.01 H new ATOM 0 HD11 ILE A 51 -6.180 0.194 1.277 1.00 2.11 H new ATOM 0 HD12 ILE A 51 -5.869 -0.202 -0.430 1.00 2.11 H new ATOM 0 HD13 ILE A 51 -6.796 -1.328 0.590 1.00 2.11 H new ATOM 819 N ALA A 52 -5.521 -4.953 -1.940 1.00 63.35 N ATOM 820 CA ALA A 52 -5.164 -5.926 -2.952 1.00 34.03 C ATOM 821 C ALA A 52 -5.433 -5.355 -4.342 1.00 12.12 C ATOM 822 O ALA A 52 -6.107 -4.330 -4.488 1.00 74.15 O ATOM 823 CB ALA A 52 -5.949 -7.222 -2.742 1.00 13.14 C ATOM 0 H ALA A 52 -6.363 -4.421 -2.160 1.00 63.35 H new ATOM 0 HA ALA A 52 -4.101 -6.151 -2.867 1.00 34.03 H new ATOM 0 HB1 ALA A 52 -5.671 -7.944 -3.509 1.00 13.14 H new ATOM 0 HB2 ALA A 52 -5.719 -7.631 -1.758 1.00 13.14 H new ATOM 0 HB3 ALA A 52 -7.017 -7.015 -2.808 1.00 13.14 H new ATOM 829 N MET A 53 -4.902 -6.017 -5.350 1.00 11.25 N ATOM 830 CA MET A 53 -5.143 -5.658 -6.733 1.00 14.24 C ATOM 831 C MET A 53 -5.673 -6.875 -7.474 1.00 54.31 C ATOM 832 O MET A 53 -5.366 -8.018 -7.120 1.00 44.30 O ATOM 833 CB MET A 53 -3.867 -5.129 -7.418 1.00 45.14 C ATOM 834 CG MET A 53 -2.679 -6.093 -7.396 1.00 74.15 C ATOM 835 SD MET A 53 -1.313 -5.559 -8.450 1.00 24.12 S ATOM 836 CE MET A 53 -0.956 -3.944 -7.768 1.00 32.15 C ATOM 0 H MET A 53 -4.288 -6.823 -5.232 1.00 11.25 H new ATOM 0 HA MET A 53 -5.879 -4.854 -6.759 1.00 14.24 H new ATOM 0 HB2 MET A 53 -4.102 -4.888 -8.455 1.00 45.14 H new ATOM 0 HB3 MET A 53 -3.571 -4.199 -6.933 1.00 45.14 H new ATOM 0 HG2 MET A 53 -2.321 -6.195 -6.372 1.00 74.15 H new ATOM 0 HG3 MET A 53 -3.013 -7.080 -7.717 1.00 74.15 H new ATOM 0 HE1 MET A 53 -0.036 -3.558 -8.208 1.00 32.15 H new ATOM 0 HE2 MET A 53 -1.778 -3.264 -7.992 1.00 32.15 H new ATOM 0 HE3 MET A 53 -0.836 -4.024 -6.688 1.00 32.15 H new ATOM 846 N TYR A 54 -6.492 -6.637 -8.478 1.00 61.03 N ATOM 847 CA TYR A 54 -6.974 -7.720 -9.310 1.00 73.23 C ATOM 848 C TYR A 54 -6.111 -7.803 -10.549 1.00 1.02 C ATOM 849 O TYR A 54 -5.807 -6.783 -11.162 1.00 20.01 O ATOM 850 CB TYR A 54 -8.438 -7.520 -9.693 1.00 51.41 C ATOM 851 CG TYR A 54 -9.375 -7.442 -8.510 1.00 52.34 C ATOM 852 CD1 TYR A 54 -9.645 -8.557 -7.729 1.00 14.43 C ATOM 853 CD2 TYR A 54 -9.986 -6.246 -8.178 1.00 72.44 C ATOM 854 CE1 TYR A 54 -10.502 -8.481 -6.648 1.00 14.14 C ATOM 855 CE2 TYR A 54 -10.843 -6.158 -7.104 1.00 11.34 C ATOM 856 CZ TYR A 54 -11.102 -7.276 -6.340 1.00 50.20 C ATOM 857 OH TYR A 54 -11.966 -7.187 -5.270 1.00 33.25 O ATOM 0 H TYR A 54 -6.835 -5.712 -8.736 1.00 61.03 H new ATOM 0 HA TYR A 54 -6.911 -8.652 -8.749 1.00 73.23 H new ATOM 0 HB2 TYR A 54 -8.529 -6.604 -10.277 1.00 51.41 H new ATOM 0 HB3 TYR A 54 -8.750 -8.341 -10.338 1.00 51.41 H new ATOM 0 HD1 TYR A 54 -9.177 -9.500 -7.970 1.00 14.43 H new ATOM 0 HD2 TYR A 54 -9.787 -5.366 -8.772 1.00 72.44 H new ATOM 0 HE1 TYR A 54 -10.701 -9.357 -6.049 1.00 14.14 H new ATOM 0 HE2 TYR A 54 -11.311 -5.216 -6.861 1.00 11.34 H new ATOM 0 HH TYR A 54 -12.298 -6.268 -5.193 1.00 33.25 H new ATOM 867 N THR A 55 -5.687 -9.003 -10.893 1.00 55.13 N ATOM 868 CA THR A 55 -4.824 -9.185 -12.046 1.00 41.04 C ATOM 869 C THR A 55 -5.470 -10.157 -13.022 1.00 32.15 C ATOM 870 O THR A 55 -6.620 -10.566 -12.825 1.00 1.41 O ATOM 871 CB THR A 55 -3.397 -9.668 -11.651 1.00 23.33 C ATOM 872 OG1 THR A 55 -3.441 -10.944 -11.013 1.00 40.11 O ATOM 873 CG2 THR A 55 -2.698 -8.681 -10.728 1.00 22.22 C ATOM 0 H THR A 55 -5.923 -9.862 -10.396 1.00 55.13 H new ATOM 0 HA THR A 55 -4.703 -8.214 -12.525 1.00 41.04 H new ATOM 0 HB THR A 55 -2.831 -9.743 -12.580 1.00 23.33 H new ATOM 0 HG1 THR A 55 -3.957 -10.877 -10.183 1.00 40.11 H new ATOM 0 HG21 THR A 55 -1.706 -9.057 -10.477 1.00 22.22 H new ATOM 0 HG22 THR A 55 -2.605 -7.717 -11.229 1.00 22.22 H new ATOM 0 HG23 THR A 55 -3.282 -8.560 -9.815 1.00 22.22 H new ATOM 881 N ASP A 56 -4.742 -10.502 -14.084 1.00 4.31 N ATOM 882 CA ASP A 56 -5.162 -11.533 -15.038 1.00 54.33 C ATOM 883 C ASP A 56 -4.997 -12.916 -14.395 1.00 42.23 C ATOM 884 O ASP A 56 -5.726 -13.859 -14.699 1.00 73.00 O ATOM 885 CB ASP A 56 -4.324 -11.403 -16.321 1.00 5.25 C ATOM 886 CG ASP A 56 -4.722 -12.369 -17.422 1.00 72.23 C ATOM 887 OD1 ASP A 56 -5.801 -12.187 -18.013 1.00 14.31 O ATOM 888 OD2 ASP A 56 -3.944 -13.300 -17.710 1.00 11.41 O ATOM 0 H ASP A 56 -3.843 -10.075 -14.309 1.00 4.31 H new ATOM 0 HA ASP A 56 -6.212 -11.406 -15.301 1.00 54.33 H new ATOM 0 HB2 ASP A 56 -4.411 -10.384 -16.698 1.00 5.25 H new ATOM 0 HB3 ASP A 56 -3.274 -11.563 -16.074 1.00 5.25 H new ATOM 893 N ALA A 57 -4.037 -12.982 -13.470 1.00 10.45 N ATOM 894 CA ALA A 57 -3.843 -14.112 -12.574 1.00 35.25 C ATOM 895 C ALA A 57 -4.740 -13.950 -11.327 1.00 51.45 C ATOM 896 O ALA A 57 -5.763 -13.264 -11.377 1.00 31.53 O ATOM 897 CB ALA A 57 -2.363 -14.215 -12.202 1.00 54.51 C ATOM 0 H ALA A 57 -3.361 -12.232 -13.324 1.00 10.45 H new ATOM 0 HA ALA A 57 -4.132 -15.039 -13.069 1.00 35.25 H new ATOM 0 HB1 ALA A 57 -2.215 -15.061 -11.531 1.00 54.51 H new ATOM 0 HB2 ALA A 57 -1.770 -14.360 -13.105 1.00 54.51 H new ATOM 0 HB3 ALA A 57 -2.048 -13.298 -11.705 1.00 54.51 H new ATOM 903 N GLU A 58 -4.367 -14.589 -10.215 1.00 75.34 N ATOM 904 CA GLU A 58 -5.177 -14.572 -8.989 1.00 44.13 C ATOM 905 C GLU A 58 -5.237 -13.203 -8.298 1.00 25.24 C ATOM 906 O GLU A 58 -4.619 -12.233 -8.741 1.00 1.12 O ATOM 907 CB GLU A 58 -4.652 -15.619 -8.012 1.00 53.31 C ATOM 908 CG GLU A 58 -4.953 -17.043 -8.438 1.00 12.52 C ATOM 909 CD GLU A 58 -6.442 -17.317 -8.497 1.00 14.41 C ATOM 910 OE1 GLU A 58 -7.053 -17.523 -7.431 1.00 21.40 O ATOM 911 OE2 GLU A 58 -7.007 -17.311 -9.605 1.00 74.52 O ATOM 0 H GLU A 58 -3.505 -15.128 -10.136 1.00 75.34 H new ATOM 0 HA GLU A 58 -6.197 -14.803 -9.295 1.00 44.13 H new ATOM 0 HB2 GLU A 58 -3.574 -15.499 -7.907 1.00 53.31 H new ATOM 0 HB3 GLU A 58 -5.090 -15.441 -7.030 1.00 53.31 H new ATOM 0 HG2 GLU A 58 -4.511 -17.229 -9.417 1.00 12.52 H new ATOM 0 HG3 GLU A 58 -4.484 -17.737 -7.740 1.00 12.52 H new ATOM 918 N GLU A 59 -5.973 -13.151 -7.187 1.00 43.51 N ATOM 919 CA GLU A 59 -6.131 -11.932 -6.418 1.00 10.02 C ATOM 920 C GLU A 59 -4.866 -11.730 -5.614 1.00 24.44 C ATOM 921 O GLU A 59 -4.618 -12.419 -4.621 1.00 31.20 O ATOM 922 CB GLU A 59 -7.348 -12.005 -5.489 1.00 23.54 C ATOM 923 CG GLU A 59 -7.572 -10.742 -4.661 1.00 74.51 C ATOM 924 CD GLU A 59 -8.507 -10.971 -3.495 1.00 22.54 C ATOM 925 OE1 GLU A 59 -9.731 -10.867 -3.687 1.00 13.12 O ATOM 926 OE2 GLU A 59 -8.016 -11.258 -2.379 1.00 5.22 O ATOM 0 H GLU A 59 -6.472 -13.953 -6.802 1.00 43.51 H new ATOM 0 HA GLU A 59 -6.299 -11.093 -7.093 1.00 10.02 H new ATOM 0 HB2 GLU A 59 -8.238 -12.198 -6.087 1.00 23.54 H new ATOM 0 HB3 GLU A 59 -7.228 -12.853 -4.815 1.00 23.54 H new ATOM 0 HG2 GLU A 59 -6.613 -10.381 -4.288 1.00 74.51 H new ATOM 0 HG3 GLU A 59 -7.980 -9.960 -5.301 1.00 74.51 H new ATOM 933 N VAL A 60 -4.047 -10.830 -6.093 1.00 23.33 N ATOM 934 CA VAL A 60 -2.783 -10.562 -5.485 1.00 55.10 C ATOM 935 C VAL A 60 -2.931 -9.399 -4.510 1.00 62.30 C ATOM 936 O VAL A 60 -3.321 -8.316 -4.918 1.00 23.21 O ATOM 937 CB VAL A 60 -1.708 -10.275 -6.573 1.00 14.25 C ATOM 938 CG1 VAL A 60 -0.483 -9.661 -5.993 1.00 3.22 C ATOM 939 CG2 VAL A 60 -1.274 -11.542 -7.246 1.00 32.04 C ATOM 0 H VAL A 60 -4.244 -10.264 -6.918 1.00 23.33 H new ATOM 0 HA VAL A 60 -2.448 -11.436 -4.926 1.00 55.10 H new ATOM 0 HB VAL A 60 -2.175 -9.591 -7.282 1.00 14.25 H new ATOM 0 HG11 VAL A 60 0.242 -9.477 -6.786 1.00 3.22 H new ATOM 0 HG12 VAL A 60 -0.742 -8.718 -5.512 1.00 3.22 H new ATOM 0 HG13 VAL A 60 -0.051 -10.338 -5.256 1.00 3.22 H new ATOM 0 HG21 VAL A 60 -0.523 -11.314 -8.002 1.00 32.04 H new ATOM 0 HG22 VAL A 60 -0.850 -12.220 -6.506 1.00 32.04 H new ATOM 0 HG23 VAL A 60 -2.134 -12.015 -7.721 1.00 32.04 H new ATOM 949 N PRO A 61 -2.662 -9.621 -3.202 1.00 45.22 N ATOM 950 CA PRO A 61 -2.584 -8.536 -2.228 1.00 70.05 C ATOM 951 C PRO A 61 -1.464 -7.585 -2.586 1.00 74.33 C ATOM 952 O PRO A 61 -0.440 -8.012 -3.128 1.00 20.13 O ATOM 953 CB PRO A 61 -2.267 -9.229 -0.901 1.00 25.43 C ATOM 954 CG PRO A 61 -2.586 -10.666 -1.115 1.00 31.34 C ATOM 955 CD PRO A 61 -2.410 -10.931 -2.579 1.00 44.32 C ATOM 0 HA PRO A 61 -3.504 -7.953 -2.190 1.00 70.05 H new ATOM 0 HB2 PRO A 61 -1.220 -9.096 -0.630 1.00 25.43 H new ATOM 0 HB3 PRO A 61 -2.862 -8.812 -0.089 1.00 25.43 H new ATOM 0 HG2 PRO A 61 -1.926 -11.301 -0.524 1.00 31.34 H new ATOM 0 HG3 PRO A 61 -3.606 -10.887 -0.801 1.00 31.34 H new ATOM 0 HD2 PRO A 61 -1.407 -11.295 -2.803 1.00 44.32 H new ATOM 0 HD3 PRO A 61 -3.110 -11.686 -2.937 1.00 44.32 H new ATOM 963 N LEU A 62 -1.646 -6.306 -2.278 1.00 62.14 N ATOM 964 CA LEU A 62 -0.643 -5.302 -2.594 1.00 61.12 C ATOM 965 C LEU A 62 0.648 -5.579 -1.841 1.00 30.24 C ATOM 966 O LEU A 62 1.695 -5.328 -2.369 1.00 63.01 O ATOM 967 CB LEU A 62 -1.125 -3.888 -2.284 1.00 14.25 C ATOM 968 CG LEU A 62 -0.232 -2.778 -2.858 1.00 65.04 C ATOM 969 CD1 LEU A 62 -0.215 -2.851 -4.375 1.00 31.11 C ATOM 970 CD2 LEU A 62 -0.698 -1.413 -2.428 1.00 63.25 C ATOM 0 H LEU A 62 -2.477 -5.943 -1.811 1.00 62.14 H new ATOM 0 HA LEU A 62 -0.460 -5.365 -3.667 1.00 61.12 H new ATOM 0 HB2 LEU A 62 -2.134 -3.766 -2.677 1.00 14.25 H new ATOM 0 HB3 LEU A 62 -1.187 -3.766 -1.203 1.00 14.25 H new ATOM 0 HG LEU A 62 0.775 -2.934 -2.470 1.00 65.04 H new ATOM 0 HD11 LEU A 62 0.421 -2.059 -4.770 1.00 31.11 H new ATOM 0 HD12 LEU A 62 0.174 -3.820 -4.688 1.00 31.11 H new ATOM 0 HD13 LEU A 62 -1.228 -2.727 -4.757 1.00 31.11 H new ATOM 0 HD21 LEU A 62 -0.042 -0.654 -2.854 1.00 63.25 H new ATOM 0 HD22 LEU A 62 -1.717 -1.249 -2.778 1.00 63.25 H new ATOM 0 HD23 LEU A 62 -0.673 -1.346 -1.340 1.00 63.25 H new ATOM 982 N SER A 63 0.525 -6.177 -0.657 1.00 55.22 N ATOM 983 CA SER A 63 1.643 -6.552 0.205 1.00 32.41 C ATOM 984 C SER A 63 2.734 -7.376 -0.521 1.00 64.13 C ATOM 985 O SER A 63 3.917 -7.052 -0.412 1.00 21.41 O ATOM 986 CB SER A 63 1.088 -7.343 1.389 1.00 53.23 C ATOM 987 OG SER A 63 0.035 -6.633 2.020 1.00 34.55 O ATOM 0 H SER A 63 -0.382 -6.421 -0.260 1.00 55.22 H new ATOM 0 HA SER A 63 2.133 -5.635 0.534 1.00 32.41 H new ATOM 0 HB2 SER A 63 0.725 -8.312 1.047 1.00 53.23 H new ATOM 0 HB3 SER A 63 1.884 -7.537 2.108 1.00 53.23 H new ATOM 0 HG SER A 63 -0.307 -7.157 2.774 1.00 34.55 H new ATOM 993 N GLU A 64 2.339 -8.413 -1.284 1.00 61.02 N ATOM 994 CA GLU A 64 3.317 -9.298 -1.923 1.00 41.44 C ATOM 995 C GLU A 64 3.964 -8.678 -3.177 1.00 40.50 C ATOM 996 O GLU A 64 5.161 -8.875 -3.409 1.00 3.00 O ATOM 997 CB GLU A 64 2.723 -10.682 -2.227 1.00 32.11 C ATOM 998 CG GLU A 64 1.487 -10.682 -3.106 1.00 31.22 C ATOM 999 CD GLU A 64 1.106 -12.069 -3.573 1.00 54.41 C ATOM 1000 OE1 GLU A 64 0.457 -12.801 -2.808 1.00 22.23 O ATOM 1001 OE2 GLU A 64 1.472 -12.436 -4.708 1.00 42.55 O ATOM 0 H GLU A 64 1.365 -8.652 -1.468 1.00 61.02 H new ATOM 0 HA GLU A 64 4.118 -9.431 -1.196 1.00 41.44 H new ATOM 0 HB2 GLU A 64 3.490 -11.290 -2.708 1.00 32.11 H new ATOM 0 HB3 GLU A 64 2.476 -11.168 -1.283 1.00 32.11 H new ATOM 0 HG2 GLU A 64 0.654 -10.246 -2.555 1.00 31.22 H new ATOM 0 HG3 GLU A 64 1.663 -10.046 -3.974 1.00 31.22 H new ATOM 1008 N VAL A 65 3.193 -7.938 -3.989 1.00 31.15 N ATOM 1009 CA VAL A 65 3.769 -7.236 -5.151 1.00 72.43 C ATOM 1010 C VAL A 65 4.627 -6.018 -4.754 1.00 54.41 C ATOM 1011 O VAL A 65 5.619 -5.736 -5.410 1.00 10.34 O ATOM 1012 CB VAL A 65 2.712 -6.817 -6.199 1.00 53.04 C ATOM 1013 CG1 VAL A 65 2.363 -7.989 -7.087 1.00 22.31 C ATOM 1014 CG2 VAL A 65 1.442 -6.256 -5.566 1.00 33.53 C ATOM 0 H VAL A 65 2.188 -7.810 -3.868 1.00 31.15 H new ATOM 0 HA VAL A 65 4.423 -7.975 -5.615 1.00 72.43 H new ATOM 0 HB VAL A 65 3.158 -6.019 -6.793 1.00 53.04 H new ATOM 0 HG11 VAL A 65 1.618 -7.681 -7.820 1.00 22.31 H new ATOM 0 HG12 VAL A 65 3.259 -8.334 -7.603 1.00 22.31 H new ATOM 0 HG13 VAL A 65 1.960 -8.799 -6.479 1.00 22.31 H new ATOM 0 HG21 VAL A 65 0.737 -5.979 -6.350 1.00 33.53 H new ATOM 0 HG22 VAL A 65 0.991 -7.012 -4.923 1.00 33.53 H new ATOM 0 HG23 VAL A 65 1.689 -5.376 -4.973 1.00 33.53 H new ATOM 1024 N LEU A 66 4.233 -5.333 -3.674 1.00 23.14 N ATOM 1025 CA LEU A 66 4.995 -4.236 -3.046 1.00 30.30 C ATOM 1026 C LEU A 66 6.350 -4.726 -2.524 1.00 53.14 C ATOM 1027 O LEU A 66 7.329 -3.989 -2.543 1.00 64.44 O ATOM 1028 CB LEU A 66 4.112 -3.673 -1.917 1.00 42.02 C ATOM 1029 CG LEU A 66 4.695 -2.745 -0.862 1.00 34.01 C ATOM 1030 CD1 LEU A 66 4.951 -1.376 -1.433 1.00 12.53 C ATOM 1031 CD2 LEU A 66 3.716 -2.644 0.292 1.00 12.45 C ATOM 0 H LEU A 66 3.353 -5.528 -3.197 1.00 23.14 H new ATOM 0 HA LEU A 66 5.225 -3.456 -3.771 1.00 30.30 H new ATOM 0 HB2 LEU A 66 3.287 -3.141 -2.391 1.00 42.02 H new ATOM 0 HB3 LEU A 66 3.682 -4.526 -1.391 1.00 42.02 H new ATOM 0 HG LEU A 66 5.646 -3.150 -0.516 1.00 34.01 H new ATOM 0 HD11 LEU A 66 5.368 -0.731 -0.659 1.00 12.53 H new ATOM 0 HD12 LEU A 66 5.657 -1.453 -2.260 1.00 12.53 H new ATOM 0 HD13 LEU A 66 4.014 -0.951 -1.794 1.00 12.53 H new ATOM 0 HD21 LEU A 66 4.122 -1.981 1.056 1.00 12.45 H new ATOM 0 HD22 LEU A 66 2.768 -2.245 -0.069 1.00 12.45 H new ATOM 0 HD23 LEU A 66 3.554 -3.634 0.719 1.00 12.45 H new ATOM 1043 N GLU A 67 6.397 -5.990 -2.108 1.00 21.30 N ATOM 1044 CA GLU A 67 7.627 -6.622 -1.652 1.00 23.15 C ATOM 1045 C GLU A 67 8.556 -6.906 -2.841 1.00 13.20 C ATOM 1046 O GLU A 67 9.747 -6.621 -2.773 1.00 21.22 O ATOM 1047 CB GLU A 67 7.275 -7.916 -0.893 1.00 33.34 C ATOM 1048 CG GLU A 67 8.387 -8.485 -0.020 1.00 73.51 C ATOM 1049 CD GLU A 67 9.260 -9.509 -0.715 1.00 60.03 C ATOM 1050 OE1 GLU A 67 8.776 -10.631 -0.962 1.00 22.24 O ATOM 1051 OE2 GLU A 67 10.435 -9.205 -1.003 1.00 4.04 O ATOM 0 H GLU A 67 5.582 -6.602 -2.079 1.00 21.30 H new ATOM 0 HA GLU A 67 8.158 -5.951 -0.977 1.00 23.15 H new ATOM 0 HB2 GLU A 67 6.405 -7.723 -0.265 1.00 33.34 H new ATOM 0 HB3 GLU A 67 6.982 -8.675 -1.619 1.00 33.34 H new ATOM 0 HG2 GLU A 67 9.015 -7.665 0.329 1.00 73.51 H new ATOM 0 HG3 GLU A 67 7.942 -8.943 0.863 1.00 73.51 H new ATOM 1058 N ALA A 68 7.977 -7.412 -3.938 1.00 42.41 N ATOM 1059 CA ALA A 68 8.739 -7.883 -5.100 1.00 11.54 C ATOM 1060 C ALA A 68 9.362 -6.745 -5.916 1.00 11.24 C ATOM 1061 O ALA A 68 10.491 -6.872 -6.399 1.00 30.21 O ATOM 1062 CB ALA A 68 7.845 -8.733 -5.990 1.00 41.32 C ATOM 0 H ALA A 68 6.967 -7.506 -4.044 1.00 42.41 H new ATOM 0 HA ALA A 68 9.567 -8.479 -4.715 1.00 11.54 H new ATOM 0 HB1 ALA A 68 8.415 -9.081 -6.852 1.00 41.32 H new ATOM 0 HB2 ALA A 68 7.480 -9.591 -5.426 1.00 41.32 H new ATOM 0 HB3 ALA A 68 6.999 -8.137 -6.331 1.00 41.32 H new ATOM 1068 N VAL A 69 8.632 -5.638 -6.063 1.00 13.33 N ATOM 1069 CA VAL A 69 9.113 -4.481 -6.839 1.00 4.32 C ATOM 1070 C VAL A 69 10.192 -3.696 -6.073 1.00 43.01 C ATOM 1071 O VAL A 69 11.096 -3.118 -6.677 1.00 31.53 O ATOM 1072 CB VAL A 69 7.955 -3.538 -7.282 1.00 45.14 C ATOM 1073 CG1 VAL A 69 7.030 -4.227 -8.264 1.00 4.41 C ATOM 1074 CG2 VAL A 69 7.150 -3.040 -6.094 1.00 43.13 C ATOM 0 H VAL A 69 7.705 -5.513 -5.657 1.00 13.33 H new ATOM 0 HA VAL A 69 9.564 -4.886 -7.745 1.00 4.32 H new ATOM 0 HB VAL A 69 8.419 -2.682 -7.771 1.00 45.14 H new ATOM 0 HG11 VAL A 69 6.232 -3.543 -8.554 1.00 4.41 H new ATOM 0 HG12 VAL A 69 7.594 -4.523 -9.149 1.00 4.41 H new ATOM 0 HG13 VAL A 69 6.597 -5.112 -7.797 1.00 4.41 H new ATOM 0 HG21 VAL A 69 6.352 -2.385 -6.444 1.00 43.13 H new ATOM 0 HG22 VAL A 69 6.717 -3.890 -5.566 1.00 43.13 H new ATOM 0 HG23 VAL A 69 7.803 -2.487 -5.418 1.00 43.13 H new ATOM 1084 N LYS A 70 10.074 -3.675 -4.738 1.00 34.45 N ATOM 1085 CA LYS A 70 11.104 -3.118 -3.863 1.00 53.20 C ATOM 1086 C LYS A 70 12.361 -3.984 -3.859 1.00 33.55 C ATOM 1087 O LYS A 70 13.463 -3.465 -3.733 1.00 51.42 O ATOM 1088 CB LYS A 70 10.585 -2.970 -2.442 1.00 54.43 C ATOM 1089 CG LYS A 70 9.808 -1.691 -2.190 1.00 1.40 C ATOM 1090 CD LYS A 70 9.078 -1.716 -0.844 1.00 25.52 C ATOM 1091 CE LYS A 70 9.995 -2.050 0.331 1.00 74.43 C ATOM 1092 NZ LYS A 70 11.047 -1.027 0.533 1.00 40.32 N ATOM 0 H LYS A 70 9.264 -4.043 -4.240 1.00 34.45 H new ATOM 0 HA LYS A 70 11.361 -2.134 -4.255 1.00 53.20 H new ATOM 0 HB2 LYS A 70 9.945 -3.821 -2.211 1.00 54.43 H new ATOM 0 HB3 LYS A 70 11.429 -3.010 -1.754 1.00 54.43 H new ATOM 0 HG2 LYS A 70 10.491 -0.842 -2.216 1.00 1.40 H new ATOM 0 HG3 LYS A 70 9.084 -1.543 -2.992 1.00 1.40 H new ATOM 0 HD2 LYS A 70 8.615 -0.744 -0.671 1.00 25.52 H new ATOM 0 HD3 LYS A 70 8.273 -2.449 -0.888 1.00 25.52 H new ATOM 0 HE2 LYS A 70 9.399 -2.139 1.240 1.00 74.43 H new ATOM 0 HE3 LYS A 70 10.463 -3.020 0.160 1.00 74.43 H new ATOM 0 HZ1 LYS A 70 11.501 -1.174 1.457 1.00 40.32 H new ATOM 0 HZ2 LYS A 70 11.760 -1.109 -0.220 1.00 40.32 H new ATOM 0 HZ3 LYS A 70 10.620 -0.079 0.504 1.00 40.32 H new ATOM 1106 N LYS A 71 12.168 -5.306 -3.998 1.00 70.33 N ATOM 1107 CA LYS A 71 13.247 -6.306 -3.943 1.00 53.34 C ATOM 1108 C LYS A 71 14.224 -6.155 -5.127 1.00 22.22 C ATOM 1109 O LYS A 71 15.389 -6.545 -5.019 1.00 42.21 O ATOM 1110 CB LYS A 71 12.632 -7.720 -3.923 1.00 23.21 C ATOM 1111 CG LYS A 71 13.287 -8.690 -2.944 1.00 33.33 C ATOM 1112 CD LYS A 71 14.633 -9.202 -3.437 1.00 14.24 C ATOM 1113 CE LYS A 71 15.397 -9.907 -2.335 1.00 61.44 C ATOM 1114 NZ LYS A 71 16.778 -10.241 -2.758 1.00 12.00 N ATOM 0 H LYS A 71 11.247 -5.715 -4.154 1.00 70.33 H new ATOM 0 HA LYS A 71 13.821 -6.145 -3.031 1.00 53.34 H new ATOM 0 HB2 LYS A 71 11.573 -7.637 -3.677 1.00 23.21 H new ATOM 0 HB3 LYS A 71 12.694 -8.142 -4.926 1.00 23.21 H new ATOM 0 HG2 LYS A 71 13.421 -8.194 -1.983 1.00 33.33 H new ATOM 0 HG3 LYS A 71 12.620 -9.536 -2.776 1.00 33.33 H new ATOM 0 HD2 LYS A 71 14.479 -9.887 -4.271 1.00 14.24 H new ATOM 0 HD3 LYS A 71 15.224 -8.368 -3.815 1.00 14.24 H new ATOM 0 HE2 LYS A 71 15.430 -9.271 -1.450 1.00 61.44 H new ATOM 0 HE3 LYS A 71 14.871 -10.819 -2.053 1.00 61.44 H new ATOM 0 HZ1 LYS A 71 17.272 -10.723 -1.980 1.00 12.00 H new ATOM 0 HZ2 LYS A 71 16.745 -10.867 -3.588 1.00 12.00 H new ATOM 0 HZ3 LYS A 71 17.287 -9.368 -3.004 1.00 12.00 H new ATOM 1128 N LYS A 72 13.741 -5.583 -6.243 1.00 72.04 N ATOM 1129 CA LYS A 72 14.595 -5.207 -7.382 1.00 44.02 C ATOM 1130 C LYS A 72 15.709 -4.245 -6.913 1.00 60.42 C ATOM 1131 O LYS A 72 16.884 -4.431 -7.240 1.00 43.02 O ATOM 1132 CB LYS A 72 13.715 -4.564 -8.485 1.00 2.43 C ATOM 1133 CG LYS A 72 14.370 -4.353 -9.865 1.00 12.05 C ATOM 1134 CD LYS A 72 15.316 -3.153 -9.911 1.00 54.54 C ATOM 1135 CE LYS A 72 15.777 -2.803 -11.315 1.00 54.32 C ATOM 1136 NZ LYS A 72 14.736 -2.048 -12.060 1.00 22.41 N ATOM 0 H LYS A 72 12.753 -5.369 -6.381 1.00 72.04 H new ATOM 0 HA LYS A 72 15.078 -6.092 -7.796 1.00 44.02 H new ATOM 0 HB2 LYS A 72 12.831 -5.188 -8.621 1.00 2.43 H new ATOM 0 HB3 LYS A 72 13.369 -3.596 -8.122 1.00 2.43 H new ATOM 0 HG2 LYS A 72 14.922 -5.252 -10.138 1.00 12.05 H new ATOM 0 HG3 LYS A 72 13.589 -4.219 -10.613 1.00 12.05 H new ATOM 0 HD2 LYS A 72 14.816 -2.288 -9.474 1.00 54.54 H new ATOM 0 HD3 LYS A 72 16.188 -3.363 -9.292 1.00 54.54 H new ATOM 0 HE2 LYS A 72 16.690 -2.209 -11.262 1.00 54.32 H new ATOM 0 HE3 LYS A 72 16.022 -3.717 -11.856 1.00 54.32 H new ATOM 0 HZ1 LYS A 72 14.994 -2.002 -13.066 1.00 22.41 H new ATOM 0 HZ2 LYS A 72 13.819 -2.529 -11.959 1.00 22.41 H new ATOM 0 HZ3 LYS A 72 14.665 -1.084 -11.676 1.00 22.41 H new ATOM 1150 N GLU A 73 15.331 -3.239 -6.123 1.00 43.25 N ATOM 1151 CA GLU A 73 16.280 -2.249 -5.619 1.00 11.43 C ATOM 1152 C GLU A 73 16.741 -2.577 -4.184 1.00 12.31 C ATOM 1153 O GLU A 73 17.133 -1.680 -3.436 1.00 71.40 O ATOM 1154 CB GLU A 73 15.670 -0.843 -5.704 1.00 43.03 C ATOM 1155 CG GLU A 73 15.391 -0.413 -7.135 1.00 53.22 C ATOM 1156 CD GLU A 73 15.119 1.070 -7.278 1.00 61.30 C ATOM 1157 OE1 GLU A 73 16.095 1.843 -7.301 1.00 42.31 O ATOM 1158 OE2 GLU A 73 13.934 1.458 -7.397 1.00 21.41 O ATOM 0 H GLU A 73 14.369 -3.089 -5.818 1.00 43.25 H new ATOM 0 HA GLU A 73 17.169 -2.280 -6.249 1.00 11.43 H new ATOM 0 HB2 GLU A 73 14.742 -0.819 -5.134 1.00 43.03 H new ATOM 0 HB3 GLU A 73 16.349 -0.128 -5.239 1.00 43.03 H new ATOM 0 HG2 GLU A 73 16.244 -0.680 -7.759 1.00 53.22 H new ATOM 0 HG3 GLU A 73 14.533 -0.970 -7.513 1.00 53.22 H new ATOM 1165 N ASN A 74 16.683 -3.884 -3.832 1.00 75.35 N ATOM 1166 CA ASN A 74 17.241 -4.457 -2.580 1.00 72.45 C ATOM 1167 C ASN A 74 16.514 -3.953 -1.311 1.00 71.34 C ATOM 1168 O ASN A 74 17.102 -3.857 -0.233 1.00 63.15 O ATOM 1169 CB ASN A 74 18.764 -4.189 -2.499 1.00 11.55 C ATOM 1170 CG ASN A 74 19.512 -5.213 -1.660 1.00 23.21 C ATOM 1171 OD1 ASN A 74 19.128 -6.377 -1.590 1.00 42.32 O ATOM 1172 ND2 ASN A 74 20.586 -4.783 -1.022 1.00 34.53 N ATOM 0 H ASN A 74 16.237 -4.586 -4.423 1.00 75.35 H new ATOM 0 HA ASN A 74 17.073 -5.533 -2.616 1.00 72.45 H new ATOM 0 HB2 ASN A 74 19.179 -4.183 -3.507 1.00 11.55 H new ATOM 0 HB3 ASN A 74 18.929 -3.196 -2.080 1.00 11.55 H new ATOM 0 HD21 ASN A 74 21.129 -5.426 -0.446 1.00 34.53 H new ATOM 0 HD22 ASN A 74 20.873 -3.808 -1.106 1.00 34.53 H new ATOM 1179 N GLY A 75 15.218 -3.672 -1.441 1.00 24.02 N ATOM 1180 CA GLY A 75 14.425 -3.216 -0.308 1.00 40.24 C ATOM 1181 C GLY A 75 14.536 -1.725 -0.051 1.00 53.12 C ATOM 1182 O GLY A 75 14.445 -1.285 1.094 1.00 24.15 O ATOM 0 H GLY A 75 14.700 -3.753 -2.316 1.00 24.02 H new ATOM 0 HA2 GLY A 75 13.379 -3.470 -0.481 1.00 40.24 H new ATOM 0 HA3 GLY A 75 14.740 -3.755 0.586 1.00 40.24 H new ATOM 1186 N ALA A 76 14.708 -0.946 -1.110 1.00 53.11 N ATOM 1187 CA ALA A 76 14.832 0.505 -0.986 1.00 12.34 C ATOM 1188 C ALA A 76 13.497 1.208 -1.243 1.00 64.14 C ATOM 1189 O ALA A 76 12.481 0.557 -1.516 1.00 41.10 O ATOM 1190 CB ALA A 76 15.895 1.018 -1.947 1.00 12.54 C ATOM 0 H ALA A 76 14.765 -1.293 -2.068 1.00 53.11 H new ATOM 0 HA ALA A 76 15.131 0.732 0.037 1.00 12.34 H new ATOM 0 HB1 ALA A 76 15.982 2.100 -1.849 1.00 12.54 H new ATOM 0 HB2 ALA A 76 16.853 0.554 -1.711 1.00 12.54 H new ATOM 0 HB3 ALA A 76 15.612 0.768 -2.970 1.00 12.54 H new ATOM 1196 N VAL A 77 13.501 2.540 -1.127 1.00 73.44 N ATOM 1197 CA VAL A 77 12.348 3.357 -1.494 1.00 65.01 C ATOM 1198 C VAL A 77 12.324 3.490 -3.028 1.00 45.33 C ATOM 1199 O VAL A 77 13.362 3.305 -3.675 1.00 0.54 O ATOM 1200 CB VAL A 77 12.405 4.781 -0.839 1.00 54.13 C ATOM 1201 CG1 VAL A 77 11.056 5.483 -0.896 1.00 40.22 C ATOM 1202 CG2 VAL A 77 12.881 4.724 0.605 1.00 35.10 C ATOM 0 H VAL A 77 14.297 3.075 -0.779 1.00 73.44 H new ATOM 0 HA VAL A 77 11.443 2.872 -1.129 1.00 65.01 H new ATOM 0 HB VAL A 77 13.126 5.353 -1.423 1.00 54.13 H new ATOM 0 HG11 VAL A 77 11.138 6.466 -0.432 1.00 40.22 H new ATOM 0 HG12 VAL A 77 10.749 5.597 -1.936 1.00 40.22 H new ATOM 0 HG13 VAL A 77 10.314 4.890 -0.361 1.00 40.22 H new ATOM 0 HG21 VAL A 77 12.906 5.732 1.020 1.00 35.10 H new ATOM 0 HG22 VAL A 77 12.198 4.107 1.189 1.00 35.10 H new ATOM 0 HG23 VAL A 77 13.881 4.292 0.642 1.00 35.10 H new ATOM 1212 N ALA A 78 11.143 3.779 -3.587 1.00 22.55 N ATOM 1213 CA ALA A 78 10.962 3.948 -5.027 1.00 33.44 C ATOM 1214 C ALA A 78 11.863 5.032 -5.606 1.00 12.11 C ATOM 1215 O ALA A 78 11.874 6.172 -5.125 1.00 32.21 O ATOM 1216 CB ALA A 78 9.530 4.331 -5.316 1.00 72.34 C ATOM 0 H ALA A 78 10.285 3.902 -3.049 1.00 22.55 H new ATOM 0 HA ALA A 78 11.223 2.997 -5.491 1.00 33.44 H new ATOM 0 HB1 ALA A 78 9.397 4.457 -6.390 1.00 72.34 H new ATOM 0 HB2 ALA A 78 8.864 3.546 -4.957 1.00 72.34 H new ATOM 0 HB3 ALA A 78 9.294 5.267 -4.809 1.00 72.34 H new ATOM 1222 N SER A 79 12.613 4.667 -6.632 1.00 55.43 N ATOM 1223 CA SER A 79 13.408 5.627 -7.374 1.00 31.11 C ATOM 1224 C SER A 79 12.588 6.197 -8.546 1.00 61.41 C ATOM 1225 O SER A 79 12.967 7.205 -9.152 1.00 25.14 O ATOM 1226 CB SER A 79 14.692 4.952 -7.868 1.00 1.34 C ATOM 1227 OG SER A 79 15.598 5.879 -8.438 1.00 35.33 O ATOM 0 H SER A 79 12.687 3.708 -6.970 1.00 55.43 H new ATOM 0 HA SER A 79 13.684 6.458 -6.725 1.00 31.11 H new ATOM 0 HB2 SER A 79 15.175 4.440 -7.036 1.00 1.34 H new ATOM 0 HB3 SER A 79 14.440 4.192 -8.607 1.00 1.34 H new ATOM 0 HG SER A 79 16.403 5.407 -8.738 1.00 35.33 H new ATOM 1233 N ILE A 80 11.450 5.545 -8.842 1.00 13.54 N ATOM 1234 CA ILE A 80 10.529 5.994 -9.883 1.00 60.12 C ATOM 1235 C ILE A 80 9.756 7.244 -9.420 1.00 62.32 C ATOM 1236 O ILE A 80 9.167 7.274 -8.333 1.00 11.55 O ATOM 1237 CB ILE A 80 9.549 4.850 -10.346 1.00 73.33 C ATOM 1238 CG1 ILE A 80 8.565 5.380 -11.420 1.00 14.40 C ATOM 1239 CG2 ILE A 80 8.808 4.216 -9.159 1.00 74.43 C ATOM 1240 CD1 ILE A 80 7.596 4.350 -11.976 1.00 4.23 C ATOM 0 H ILE A 80 11.150 4.695 -8.364 1.00 13.54 H new ATOM 0 HA ILE A 80 11.126 6.263 -10.754 1.00 60.12 H new ATOM 0 HB ILE A 80 10.147 4.059 -10.797 1.00 73.33 H new ATOM 0 HG12 ILE A 80 7.991 6.200 -10.990 1.00 14.40 H new ATOM 0 HG13 ILE A 80 9.143 5.794 -12.246 1.00 14.40 H new ATOM 0 HG21 ILE A 80 8.143 3.432 -9.522 1.00 74.43 H new ATOM 0 HG22 ILE A 80 9.531 3.786 -8.466 1.00 74.43 H new ATOM 0 HG23 ILE A 80 8.223 4.979 -8.646 1.00 74.43 H new ATOM 0 HD11 ILE A 80 6.952 4.820 -12.719 1.00 4.23 H new ATOM 0 HD12 ILE A 80 8.155 3.539 -12.442 1.00 4.23 H new ATOM 0 HD13 ILE A 80 6.985 3.951 -11.166 1.00 4.23 H new ATOM 1252 N ASN A 81 9.807 8.292 -10.241 1.00 2.11 N ATOM 1253 CA ASN A 81 9.078 9.517 -9.966 1.00 40.34 C ATOM 1254 C ASN A 81 7.691 9.431 -10.600 1.00 50.30 C ATOM 1255 O ASN A 81 7.529 9.582 -11.806 1.00 11.21 O ATOM 1256 CB ASN A 81 9.862 10.732 -10.467 1.00 13.43 C ATOM 1257 CG ASN A 81 9.387 12.038 -9.855 1.00 63.54 C ATOM 1258 OD1 ASN A 81 8.206 12.245 -9.595 1.00 11.22 O ATOM 1259 ND2 ASN A 81 10.322 12.938 -9.617 1.00 55.30 N ATOM 0 H ASN A 81 10.350 8.311 -11.104 1.00 2.11 H new ATOM 0 HA ASN A 81 8.955 9.640 -8.890 1.00 40.34 H new ATOM 0 HB2 ASN A 81 10.919 10.594 -10.240 1.00 13.43 H new ATOM 0 HB3 ASN A 81 9.774 10.792 -11.552 1.00 13.43 H new ATOM 0 HD21 ASN A 81 10.072 13.837 -9.205 1.00 55.30 H new ATOM 0 HD22 ASN A 81 11.295 12.735 -9.845 1.00 55.30 H new ATOM 1266 N TYR A 82 6.710 9.211 -9.736 1.00 35.22 N ATOM 1267 CA TYR A 82 5.327 8.887 -10.106 1.00 52.42 C ATOM 1268 C TYR A 82 4.570 10.037 -10.783 1.00 62.40 C ATOM 1269 O TYR A 82 3.744 9.791 -11.653 1.00 42.41 O ATOM 1270 CB TYR A 82 4.545 8.418 -8.858 1.00 40.14 C ATOM 1271 CG TYR A 82 4.380 9.458 -7.747 1.00 72.31 C ATOM 1272 CD1 TYR A 82 5.467 9.886 -6.987 1.00 1.40 C ATOM 1273 CD2 TYR A 82 3.137 10.010 -7.466 1.00 12.35 C ATOM 1274 CE1 TYR A 82 5.323 10.822 -5.987 1.00 22.44 C ATOM 1275 CE2 TYR A 82 2.982 10.951 -6.464 1.00 73.23 C ATOM 1276 CZ TYR A 82 4.079 11.354 -5.729 1.00 61.41 C ATOM 1277 OH TYR A 82 3.930 12.293 -4.733 1.00 63.23 O ATOM 0 H TYR A 82 6.852 9.253 -8.727 1.00 35.22 H new ATOM 0 HA TYR A 82 5.395 8.089 -10.846 1.00 52.42 H new ATOM 0 HB2 TYR A 82 3.554 8.091 -9.174 1.00 40.14 H new ATOM 0 HB3 TYR A 82 5.050 7.546 -8.442 1.00 40.14 H new ATOM 0 HD1 TYR A 82 6.445 9.474 -7.187 1.00 1.40 H new ATOM 0 HD2 TYR A 82 2.276 9.699 -8.040 1.00 12.35 H new ATOM 0 HE1 TYR A 82 6.179 11.137 -5.409 1.00 22.44 H new ATOM 0 HE2 TYR A 82 2.008 11.368 -6.258 1.00 73.23 H new ATOM 0 HH TYR A 82 2.991 12.568 -4.680 1.00 63.23 H new ATOM 1287 N LYS A 83 4.897 11.281 -10.426 1.00 22.10 N ATOM 1288 CA LYS A 83 4.046 12.425 -10.771 1.00 44.41 C ATOM 1289 C LYS A 83 4.325 12.945 -12.180 1.00 60.21 C ATOM 1290 O LYS A 83 3.499 13.646 -12.759 1.00 74.02 O ATOM 1291 CB LYS A 83 4.195 13.551 -9.740 1.00 41.20 C ATOM 1292 CG LYS A 83 5.607 14.118 -9.614 1.00 71.45 C ATOM 1293 CD LYS A 83 5.702 15.190 -8.541 1.00 11.42 C ATOM 1294 CE LYS A 83 5.413 14.629 -7.160 1.00 12.02 C ATOM 1295 NZ LYS A 83 5.476 15.677 -6.115 1.00 64.15 N ATOM 0 H LYS A 83 5.738 11.522 -9.902 1.00 22.10 H new ATOM 0 HA LYS A 83 3.015 12.072 -10.753 1.00 44.41 H new ATOM 0 HB2 LYS A 83 3.515 14.361 -10.006 1.00 41.20 H new ATOM 0 HB3 LYS A 83 3.880 13.177 -8.766 1.00 41.20 H new ATOM 0 HG2 LYS A 83 6.301 13.311 -9.381 1.00 71.45 H new ATOM 0 HG3 LYS A 83 5.915 14.537 -10.572 1.00 71.45 H new ATOM 0 HD2 LYS A 83 6.699 15.630 -8.554 1.00 11.42 H new ATOM 0 HD3 LYS A 83 4.997 15.991 -8.763 1.00 11.42 H new ATOM 0 HE2 LYS A 83 4.425 14.169 -7.154 1.00 12.02 H new ATOM 0 HE3 LYS A 83 6.132 13.843 -6.930 1.00 12.02 H new ATOM 0 HZ1 LYS A 83 5.273 15.254 -5.187 1.00 64.15 H new ATOM 0 HZ2 LYS A 83 6.427 16.099 -6.103 1.00 64.15 H new ATOM 0 HZ3 LYS A 83 4.773 16.415 -6.321 1.00 64.15 H new ATOM 1309 N LYS A 84 5.476 12.577 -12.726 1.00 72.35 N ATOM 1310 CA LYS A 84 5.856 12.996 -14.064 1.00 31.23 C ATOM 1311 C LYS A 84 6.143 11.773 -14.939 1.00 74.21 C ATOM 1312 O LYS A 84 6.699 11.884 -16.034 1.00 33.52 O ATOM 1313 CB LYS A 84 7.052 13.958 -13.995 1.00 55.30 C ATOM 1314 CG LYS A 84 8.325 13.359 -13.430 1.00 43.35 C ATOM 1315 CD LYS A 84 9.253 14.437 -12.916 1.00 51.03 C ATOM 1316 CE LYS A 84 10.680 13.948 -12.804 1.00 72.42 C ATOM 1317 NZ LYS A 84 11.558 14.971 -12.182 1.00 65.14 N ATOM 0 H LYS A 84 6.164 11.987 -12.259 1.00 72.35 H new ATOM 0 HA LYS A 84 5.030 13.537 -14.526 1.00 31.23 H new ATOM 0 HB2 LYS A 84 7.258 14.330 -14.999 1.00 55.30 H new ATOM 0 HB3 LYS A 84 6.772 14.818 -13.387 1.00 55.30 H new ATOM 0 HG2 LYS A 84 8.079 12.671 -12.621 1.00 43.35 H new ATOM 0 HG3 LYS A 84 8.830 12.777 -14.201 1.00 43.35 H new ATOM 0 HD2 LYS A 84 9.216 15.297 -13.585 1.00 51.03 H new ATOM 0 HD3 LYS A 84 8.908 14.777 -11.939 1.00 51.03 H new ATOM 0 HE2 LYS A 84 10.707 13.034 -12.210 1.00 72.42 H new ATOM 0 HE3 LYS A 84 11.058 13.696 -13.795 1.00 72.42 H new ATOM 0 HZ1 LYS A 84 12.529 14.604 -12.120 1.00 65.14 H new ATOM 0 HZ2 LYS A 84 11.550 15.834 -12.762 1.00 65.14 H new ATOM 0 HZ3 LYS A 84 11.210 15.193 -11.227 1.00 65.14 H new ATOM 1331 N ALA A 85 5.730 10.604 -14.446 1.00 74.31 N ATOM 1332 CA ALA A 85 5.797 9.377 -15.217 1.00 75.02 C ATOM 1333 C ALA A 85 4.487 9.192 -15.950 1.00 41.42 C ATOM 1334 O ALA A 85 3.416 9.448 -15.391 1.00 41.32 O ATOM 1335 CB ALA A 85 6.073 8.172 -14.328 1.00 61.11 C ATOM 0 H ALA A 85 5.344 10.489 -13.509 1.00 74.31 H new ATOM 0 HA ALA A 85 6.620 9.453 -15.927 1.00 75.02 H new ATOM 0 HB1 ALA A 85 6.116 7.271 -14.940 1.00 61.11 H new ATOM 0 HB2 ALA A 85 7.025 8.309 -13.815 1.00 61.11 H new ATOM 0 HB3 ALA A 85 5.275 8.073 -13.592 1.00 61.11 H new ATOM 1341 N SER A 86 4.577 8.757 -17.195 1.00 51.30 N ATOM 1342 CA SER A 86 3.410 8.555 -18.041 1.00 72.34 C ATOM 1343 C SER A 86 2.602 7.326 -17.602 1.00 74.41 C ATOM 1344 O SER A 86 3.041 6.551 -16.742 1.00 13.22 O ATOM 1345 CB SER A 86 3.859 8.405 -19.499 1.00 32.25 C ATOM 1346 OG SER A 86 4.711 9.476 -19.880 1.00 12.11 O ATOM 0 H SER A 86 5.462 8.533 -17.650 1.00 51.30 H new ATOM 0 HA SER A 86 2.760 9.424 -17.945 1.00 72.34 H new ATOM 0 HB2 SER A 86 4.381 7.457 -19.627 1.00 32.25 H new ATOM 0 HB3 SER A 86 2.986 8.379 -20.152 1.00 32.25 H new ATOM 0 HG SER A 86 5.612 9.317 -19.530 1.00 12.11 H new ATOM 1352 N ALA A 87 1.417 7.175 -18.197 1.00 51.23 N ATOM 1353 CA ALA A 87 0.517 6.049 -17.933 1.00 53.35 C ATOM 1354 C ALA A 87 1.187 4.693 -18.219 1.00 50.02 C ATOM 1355 O ALA A 87 0.992 3.729 -17.473 1.00 25.35 O ATOM 1356 CB ALA A 87 -0.748 6.211 -18.761 1.00 21.43 C ATOM 0 H ALA A 87 1.051 7.836 -18.882 1.00 51.23 H new ATOM 0 HA ALA A 87 0.264 6.056 -16.873 1.00 53.35 H new ATOM 0 HB1 ALA A 87 -1.420 5.375 -18.567 1.00 21.43 H new ATOM 0 HB2 ALA A 87 -1.243 7.144 -18.491 1.00 21.43 H new ATOM 0 HB3 ALA A 87 -0.490 6.231 -19.820 1.00 21.43 H new ATOM 1362 N ASP A 88 2.007 4.659 -19.273 1.00 2.24 N ATOM 1363 CA ASP A 88 2.780 3.476 -19.643 1.00 50.20 C ATOM 1364 C ASP A 88 3.971 3.258 -18.693 1.00 43.11 C ATOM 1365 O ASP A 88 4.308 2.125 -18.371 1.00 41.24 O ATOM 1366 CB ASP A 88 3.265 3.629 -21.090 1.00 65.03 C ATOM 1367 CG ASP A 88 4.046 2.430 -21.599 1.00 24.13 C ATOM 1368 OD1 ASP A 88 3.418 1.400 -21.898 1.00 31.34 O ATOM 1369 OD2 ASP A 88 5.286 2.521 -21.715 1.00 0.14 O ATOM 0 H ASP A 88 2.152 5.455 -19.894 1.00 2.24 H new ATOM 0 HA ASP A 88 2.139 2.598 -19.560 1.00 50.20 H new ATOM 0 HB2 ASP A 88 2.404 3.793 -21.738 1.00 65.03 H new ATOM 0 HB3 ASP A 88 3.892 4.518 -21.162 1.00 65.03 H new ATOM 1374 N GLU A 89 4.561 4.358 -18.210 1.00 64.35 N ATOM 1375 CA GLU A 89 5.778 4.311 -17.386 1.00 33.31 C ATOM 1376 C GLU A 89 5.507 3.815 -15.958 1.00 42.43 C ATOM 1377 O GLU A 89 6.401 3.243 -15.328 1.00 74.21 O ATOM 1378 CB GLU A 89 6.454 5.684 -17.328 1.00 43.31 C ATOM 1379 CG GLU A 89 6.949 6.183 -18.676 1.00 14.11 C ATOM 1380 CD GLU A 89 7.788 7.439 -18.562 1.00 0.10 C ATOM 1381 OE1 GLU A 89 7.216 8.545 -18.566 1.00 75.32 O ATOM 1382 OE2 GLU A 89 9.026 7.324 -18.479 1.00 41.41 O ATOM 0 H GLU A 89 4.212 5.302 -18.377 1.00 64.35 H new ATOM 0 HA GLU A 89 6.444 3.595 -17.868 1.00 33.31 H new ATOM 0 HB2 GLU A 89 5.749 6.408 -16.920 1.00 43.31 H new ATOM 0 HB3 GLU A 89 7.296 5.635 -16.638 1.00 43.31 H new ATOM 0 HG2 GLU A 89 7.537 5.400 -19.155 1.00 14.11 H new ATOM 0 HG3 GLU A 89 6.094 6.380 -19.322 1.00 14.11 H new ATOM 1389 N LEU A 90 4.281 4.041 -15.457 1.00 42.10 N ATOM 1390 CA LEU A 90 3.829 3.475 -14.177 1.00 14.40 C ATOM 1391 C LEU A 90 3.810 1.949 -14.243 1.00 3.50 C ATOM 1392 O LEU A 90 4.253 1.261 -13.322 1.00 21.34 O ATOM 1393 CB LEU A 90 2.412 3.962 -13.859 1.00 35.10 C ATOM 1394 CG LEU A 90 2.220 5.473 -13.826 1.00 64.02 C ATOM 1395 CD1 LEU A 90 0.740 5.800 -13.823 1.00 44.33 C ATOM 1396 CD2 LEU A 90 2.912 6.081 -12.613 1.00 3.24 C ATOM 0 H LEU A 90 3.581 4.617 -15.924 1.00 42.10 H new ATOM 0 HA LEU A 90 4.522 3.801 -13.401 1.00 14.40 H new ATOM 0 HB2 LEU A 90 1.730 3.545 -14.600 1.00 35.10 H new ATOM 0 HB3 LEU A 90 2.118 3.556 -12.891 1.00 35.10 H new ATOM 0 HG LEU A 90 2.675 5.905 -14.717 1.00 64.02 H new ATOM 0 HD11 LEU A 90 0.606 6.882 -13.799 1.00 44.33 H new ATOM 0 HD12 LEU A 90 0.276 5.397 -14.723 1.00 44.33 H new ATOM 0 HD13 LEU A 90 0.271 5.357 -12.944 1.00 44.33 H new ATOM 0 HD21 LEU A 90 2.761 7.160 -12.611 1.00 3.24 H new ATOM 0 HD22 LEU A 90 2.492 5.654 -11.702 1.00 3.24 H new ATOM 0 HD23 LEU A 90 3.979 5.864 -12.656 1.00 3.24 H new ATOM 1408 N HIS A 91 3.323 1.442 -15.374 1.00 22.13 N ATOM 1409 CA HIS A 91 3.181 0.009 -15.598 1.00 5.11 C ATOM 1410 C HIS A 91 4.502 -0.644 -15.995 1.00 35.21 C ATOM 1411 O HIS A 91 4.675 -1.835 -15.798 1.00 2.03 O ATOM 1412 CB HIS A 91 2.118 -0.258 -16.670 1.00 40.33 C ATOM 1413 CG HIS A 91 0.719 0.050 -16.229 1.00 23.35 C ATOM 1414 ND1 HIS A 91 -0.113 0.915 -16.899 1.00 51.52 N ATOM 1415 CD2 HIS A 91 0.011 -0.402 -15.171 1.00 40.51 C ATOM 1416 CE1 HIS A 91 -1.269 0.980 -16.272 1.00 61.00 C ATOM 1417 NE2 HIS A 91 -1.219 0.192 -15.219 1.00 74.33 N ATOM 0 H HIS A 91 3.016 2.015 -16.160 1.00 22.13 H new ATOM 0 HA HIS A 91 2.865 -0.437 -14.655 1.00 5.11 H new ATOM 0 HB2 HIS A 91 2.349 0.337 -17.553 1.00 40.33 H new ATOM 0 HB3 HIS A 91 2.172 -1.305 -16.968 1.00 40.33 H new ATOM 0 HD2 HIS A 91 0.354 -1.103 -14.425 1.00 40.51 H new ATOM 0 HE1 HIS A 91 -2.116 1.579 -16.572 1.00 61.00 H new ATOM 0 HE2 HIS A 91 -1.974 0.048 -14.549 1.00 74.33 H new ATOM 1426 N ALA A 92 5.436 0.153 -16.517 1.00 64.14 N ATOM 1427 CA ALA A 92 6.743 -0.343 -16.952 1.00 62.34 C ATOM 1428 C ALA A 92 7.628 -0.732 -15.763 1.00 43.24 C ATOM 1429 O ALA A 92 8.517 -1.576 -15.892 1.00 72.03 O ATOM 1430 CB ALA A 92 7.437 0.704 -17.802 1.00 72.51 C ATOM 0 H ALA A 92 5.309 1.156 -16.650 1.00 64.14 H new ATOM 0 HA ALA A 92 6.578 -1.242 -17.546 1.00 62.34 H new ATOM 0 HB1 ALA A 92 8.409 0.327 -18.122 1.00 72.51 H new ATOM 0 HB2 ALA A 92 6.827 0.924 -18.678 1.00 72.51 H new ATOM 0 HB3 ALA A 92 7.575 1.614 -17.218 1.00 72.51 H new ATOM 1436 N TYR A 93 7.366 -0.114 -14.610 1.00 52.54 N ATOM 1437 CA TYR A 93 8.061 -0.435 -13.367 1.00 11.31 C ATOM 1438 C TYR A 93 7.564 -1.767 -12.802 1.00 40.40 C ATOM 1439 O TYR A 93 8.355 -2.633 -12.425 1.00 45.21 O ATOM 1440 CB TYR A 93 7.829 0.695 -12.345 1.00 12.33 C ATOM 1441 CG TYR A 93 8.487 0.493 -10.987 1.00 12.32 C ATOM 1442 CD1 TYR A 93 9.812 0.844 -10.775 1.00 22.54 C ATOM 1443 CD2 TYR A 93 7.779 -0.044 -9.918 1.00 74.51 C ATOM 1444 CE1 TYR A 93 10.407 0.666 -9.541 1.00 24.32 C ATOM 1445 CE2 TYR A 93 8.372 -0.225 -8.688 1.00 30.31 C ATOM 1446 CZ TYR A 93 9.684 0.129 -8.503 1.00 22.11 C ATOM 1447 OH TYR A 93 10.276 -0.048 -7.273 1.00 74.42 O ATOM 0 H TYR A 93 6.666 0.622 -14.514 1.00 52.54 H new ATOM 0 HA TYR A 93 9.128 -0.527 -13.570 1.00 11.31 H new ATOM 0 HB2 TYR A 93 8.195 1.629 -12.772 1.00 12.33 H new ATOM 0 HB3 TYR A 93 6.756 0.812 -12.196 1.00 12.33 H new ATOM 0 HD1 TYR A 93 10.387 1.263 -11.587 1.00 22.54 H new ATOM 0 HD2 TYR A 93 6.745 -0.324 -10.054 1.00 74.51 H new ATOM 0 HE1 TYR A 93 11.439 0.948 -9.392 1.00 24.32 H new ATOM 0 HE2 TYR A 93 7.805 -0.645 -7.871 1.00 30.31 H new ATOM 0 HH TYR A 93 10.500 -0.994 -7.151 1.00 74.42 H new ATOM 1457 N PHE A 94 6.246 -1.910 -12.756 1.00 35.41 N ATOM 1458 CA PHE A 94 5.601 -3.006 -12.053 1.00 74.13 C ATOM 1459 C PHE A 94 5.616 -4.304 -12.873 1.00 12.23 C ATOM 1460 O PHE A 94 5.642 -5.399 -12.313 1.00 11.42 O ATOM 1461 CB PHE A 94 4.184 -2.585 -11.707 1.00 42.50 C ATOM 1462 CG PHE A 94 3.777 -2.926 -10.309 1.00 14.32 C ATOM 1463 CD1 PHE A 94 3.996 -2.029 -9.276 1.00 74.31 C ATOM 1464 CD2 PHE A 94 3.159 -4.128 -10.030 1.00 24.52 C ATOM 1465 CE1 PHE A 94 3.612 -2.335 -7.989 1.00 40.40 C ATOM 1466 CE2 PHE A 94 2.776 -4.438 -8.747 1.00 13.20 C ATOM 1467 CZ PHE A 94 2.998 -3.539 -7.725 1.00 2.34 C ATOM 0 H PHE A 94 5.595 -1.267 -13.207 1.00 35.41 H new ATOM 0 HA PHE A 94 6.156 -3.221 -11.140 1.00 74.13 H new ATOM 0 HB2 PHE A 94 4.090 -1.509 -11.851 1.00 42.50 H new ATOM 0 HB3 PHE A 94 3.493 -3.061 -12.403 1.00 42.50 H new ATOM 0 HD1 PHE A 94 4.472 -1.082 -9.482 1.00 74.31 H new ATOM 0 HD2 PHE A 94 2.974 -4.832 -10.828 1.00 24.52 H new ATOM 0 HE1 PHE A 94 3.792 -1.632 -7.189 1.00 40.40 H new ATOM 0 HE2 PHE A 94 2.301 -5.386 -8.539 1.00 13.20 H new ATOM 0 HZ PHE A 94 2.690 -3.779 -6.718 1.00 2.34 H new ATOM 1477 N ALA A 95 5.638 -4.165 -14.208 1.00 13.03 N ATOM 1478 CA ALA A 95 5.637 -5.315 -15.127 1.00 25.00 C ATOM 1479 C ALA A 95 7.042 -5.875 -15.361 1.00 52.23 C ATOM 1480 O ALA A 95 7.262 -6.682 -16.275 1.00 72.24 O ATOM 1481 CB ALA A 95 5.016 -4.933 -16.459 1.00 31.42 C ATOM 0 H ALA A 95 5.657 -3.260 -14.678 1.00 13.03 H new ATOM 0 HA ALA A 95 5.041 -6.095 -14.653 1.00 25.00 H new ATOM 0 HB1 ALA A 95 5.024 -5.796 -17.125 1.00 31.42 H new ATOM 0 HB2 ALA A 95 3.988 -4.606 -16.301 1.00 31.42 H new ATOM 0 HB3 ALA A 95 5.589 -4.122 -16.909 1.00 31.42 H new ATOM 1487 N GLU A 96 7.982 -5.462 -14.526 1.00 2.25 N ATOM 1488 CA GLU A 96 9.343 -5.936 -14.601 1.00 62.34 C ATOM 1489 C GLU A 96 9.484 -7.251 -13.835 1.00 40.35 C ATOM 1490 O GLU A 96 9.774 -8.287 -14.428 1.00 54.03 O ATOM 1491 CB GLU A 96 10.265 -4.861 -14.044 1.00 40.32 C ATOM 1492 CG GLU A 96 11.734 -5.222 -14.063 1.00 13.22 C ATOM 1493 CD GLU A 96 12.580 -4.108 -13.515 1.00 50.53 C ATOM 1494 OE1 GLU A 96 12.384 -3.727 -12.346 1.00 61.30 O ATOM 1495 OE2 GLU A 96 13.438 -3.597 -14.254 1.00 71.32 O ATOM 0 H GLU A 96 7.817 -4.788 -13.779 1.00 2.25 H new ATOM 0 HA GLU A 96 9.619 -6.133 -15.637 1.00 62.34 H new ATOM 0 HB2 GLU A 96 10.122 -3.945 -14.617 1.00 40.32 H new ATOM 0 HB3 GLU A 96 9.971 -4.644 -13.017 1.00 40.32 H new ATOM 0 HG2 GLU A 96 11.896 -6.126 -13.476 1.00 13.22 H new ATOM 0 HG3 GLU A 96 12.042 -5.446 -15.084 1.00 13.22 H new ATOM 1502 N VAL A 97 9.234 -7.204 -12.527 1.00 45.30 N ATOM 1503 CA VAL A 97 9.301 -8.396 -11.685 1.00 63.15 C ATOM 1504 C VAL A 97 7.982 -9.185 -11.721 1.00 70.03 C ATOM 1505 O VAL A 97 7.943 -10.353 -11.324 1.00 14.32 O ATOM 1506 CB VAL A 97 9.694 -8.062 -10.223 1.00 13.23 C ATOM 1507 CG1 VAL A 97 11.120 -7.536 -10.154 1.00 73.33 C ATOM 1508 CG2 VAL A 97 8.745 -7.050 -9.615 1.00 43.41 C ATOM 0 H VAL A 97 8.983 -6.351 -12.027 1.00 45.30 H new ATOM 0 HA VAL A 97 10.089 -9.024 -12.101 1.00 63.15 H new ATOM 0 HB VAL A 97 9.628 -8.986 -9.649 1.00 13.23 H new ATOM 0 HG11 VAL A 97 11.374 -7.308 -9.119 1.00 73.33 H new ATOM 0 HG12 VAL A 97 11.805 -8.291 -10.538 1.00 73.33 H new ATOM 0 HG13 VAL A 97 11.203 -6.631 -10.756 1.00 73.33 H new ATOM 0 HG21 VAL A 97 9.048 -6.837 -8.590 1.00 43.41 H new ATOM 0 HG22 VAL A 97 8.771 -6.130 -10.199 1.00 43.41 H new ATOM 0 HG23 VAL A 97 7.732 -7.453 -9.618 1.00 43.41 H new ATOM 1518 N LEU A 98 6.909 -8.534 -12.186 1.00 64.22 N ATOM 1519 CA LEU A 98 5.653 -9.216 -12.485 1.00 4.31 C ATOM 1520 C LEU A 98 5.423 -9.208 -13.995 1.00 45.10 C ATOM 1521 O LEU A 98 4.879 -8.238 -14.518 1.00 10.34 O ATOM 1522 CB LEU A 98 4.442 -8.558 -11.780 1.00 3.05 C ATOM 1523 CG LEU A 98 4.188 -8.914 -10.303 1.00 43.31 C ATOM 1524 CD1 LEU A 98 4.246 -10.416 -10.079 1.00 52.34 C ATOM 1525 CD2 LEU A 98 5.141 -8.186 -9.368 1.00 44.44 C ATOM 0 H LEU A 98 6.890 -7.530 -12.363 1.00 64.22 H new ATOM 0 HA LEU A 98 5.736 -10.237 -12.111 1.00 4.31 H new ATOM 0 HB2 LEU A 98 4.562 -7.477 -11.848 1.00 3.05 H new ATOM 0 HB3 LEU A 98 3.546 -8.815 -12.345 1.00 3.05 H new ATOM 0 HG LEU A 98 3.180 -8.576 -10.064 1.00 43.31 H new ATOM 0 HD11 LEU A 98 4.063 -10.634 -9.027 1.00 52.34 H new ATOM 0 HD12 LEU A 98 3.486 -10.904 -10.689 1.00 52.34 H new ATOM 0 HD13 LEU A 98 5.231 -10.788 -10.360 1.00 52.34 H new ATOM 0 HD21 LEU A 98 4.925 -8.467 -8.337 1.00 44.44 H new ATOM 0 HD22 LEU A 98 6.168 -8.458 -9.611 1.00 44.44 H new ATOM 0 HD23 LEU A 98 5.014 -7.110 -9.485 1.00 44.44 H new ATOM 1537 N PRO A 99 5.855 -10.276 -14.723 1.00 21.52 N ATOM 1538 CA PRO A 99 5.738 -10.353 -16.201 1.00 64.32 C ATOM 1539 C PRO A 99 4.291 -10.256 -16.690 1.00 1.24 C ATOM 1540 O PRO A 99 4.004 -9.576 -17.674 1.00 45.34 O ATOM 1541 CB PRO A 99 6.322 -11.730 -16.537 1.00 33.44 C ATOM 1542 CG PRO A 99 7.177 -12.081 -15.367 1.00 44.12 C ATOM 1543 CD PRO A 99 6.487 -11.492 -14.177 1.00 55.23 C ATOM 0 HA PRO A 99 6.253 -9.523 -16.685 1.00 64.32 H new ATOM 0 HB2 PRO A 99 5.534 -12.468 -16.685 1.00 33.44 H new ATOM 0 HB3 PRO A 99 6.906 -11.698 -17.457 1.00 33.44 H new ATOM 0 HG2 PRO A 99 7.280 -13.161 -15.266 1.00 44.12 H new ATOM 0 HG3 PRO A 99 8.182 -11.674 -15.479 1.00 44.12 H new ATOM 0 HD2 PRO A 99 5.749 -12.177 -13.759 1.00 55.23 H new ATOM 0 HD3 PRO A 99 7.191 -11.257 -13.379 1.00 55.23 H new ATOM 1551 N ASN A 100 3.391 -10.924 -15.982 1.00 4.30 N ATOM 1552 CA ASN A 100 1.972 -10.804 -16.241 1.00 15.55 C ATOM 1553 C ASN A 100 1.234 -10.514 -14.944 1.00 24.43 C ATOM 1554 O ASN A 100 1.049 -11.403 -14.102 1.00 1.43 O ATOM 1555 CB ASN A 100 1.414 -12.077 -16.908 1.00 5.41 C ATOM 1556 CG ASN A 100 -0.072 -11.977 -17.251 1.00 54.21 C ATOM 1557 OD1 ASN A 100 -0.929 -12.481 -16.367 1.00 74.13 O flip ATOM 1558 ND2 ASN A 100 -0.442 -11.472 -18.305 1.00 51.02 N flip ATOM 0 H ASN A 100 3.626 -11.558 -15.219 1.00 4.30 H new ATOM 0 HA ASN A 100 1.819 -9.976 -16.933 1.00 15.55 H new ATOM 0 HB2 ASN A 100 1.977 -12.278 -17.819 1.00 5.41 H new ATOM 0 HB3 ASN A 100 1.570 -12.926 -16.242 1.00 5.41 H new ATOM 0 HD21 ASN A 100 0.244 -11.096 -18.959 1.00 51.02 H new ATOM 0 HD22 ASN A 100 -1.436 -11.428 -18.528 1.00 51.02 H new ATOM 1565 N TYR A 101 0.855 -9.263 -14.760 1.00 22.33 N ATOM 1566 CA TYR A 101 -0.090 -8.924 -13.716 1.00 51.05 C ATOM 1567 C TYR A 101 -1.397 -8.435 -14.384 1.00 2.21 C ATOM 1568 O TYR A 101 -2.179 -9.279 -14.814 1.00 0.03 O ATOM 1569 CB TYR A 101 0.523 -7.985 -12.617 1.00 32.45 C ATOM 1570 CG TYR A 101 0.939 -6.577 -13.023 1.00 74.43 C ATOM 1571 CD1 TYR A 101 1.813 -6.353 -14.070 1.00 31.30 C ATOM 1572 CD2 TYR A 101 0.427 -5.473 -12.352 1.00 4.12 C ATOM 1573 CE1 TYR A 101 2.155 -5.079 -14.447 1.00 71.14 C ATOM 1574 CE2 TYR A 101 0.774 -4.189 -12.720 1.00 24.31 C ATOM 1575 CZ TYR A 101 1.637 -4.002 -13.771 1.00 62.50 C ATOM 1576 OH TYR A 101 1.982 -2.734 -14.167 1.00 74.24 O ATOM 0 H TYR A 101 1.184 -8.473 -15.315 1.00 22.33 H new ATOM 0 HA TYR A 101 -0.347 -9.806 -13.129 1.00 51.05 H new ATOM 0 HB2 TYR A 101 -0.205 -7.897 -11.810 1.00 32.45 H new ATOM 0 HB3 TYR A 101 1.399 -8.485 -12.203 1.00 32.45 H new ATOM 0 HD1 TYR A 101 2.234 -7.195 -14.600 1.00 31.30 H new ATOM 0 HD2 TYR A 101 -0.255 -5.623 -11.528 1.00 4.12 H new ATOM 0 HE1 TYR A 101 2.831 -4.923 -15.275 1.00 71.14 H new ATOM 0 HE2 TYR A 101 0.371 -3.341 -12.187 1.00 24.31 H new ATOM 0 HH TYR A 101 2.842 -2.760 -14.636 1.00 74.24 H new ATOM 1586 N ASP A 102 -1.602 -7.120 -14.524 1.00 32.14 N ATOM 1587 CA ASP A 102 -2.755 -6.540 -15.228 1.00 44.01 C ATOM 1588 C ASP A 102 -2.535 -5.033 -15.343 1.00 12.31 C ATOM 1589 O ASP A 102 -1.770 -4.465 -14.573 1.00 43.35 O ATOM 1590 CB ASP A 102 -4.062 -6.801 -14.464 1.00 4.54 C ATOM 1591 CG ASP A 102 -5.268 -6.890 -15.372 1.00 54.42 C ATOM 1592 OD1 ASP A 102 -5.841 -5.848 -15.697 1.00 65.54 O ATOM 1593 OD2 ASP A 102 -5.638 -8.003 -15.772 1.00 75.24 O ATOM 0 H ASP A 102 -0.964 -6.419 -14.147 1.00 32.14 H new ATOM 0 HA ASP A 102 -2.840 -7.001 -16.212 1.00 44.01 H new ATOM 0 HB2 ASP A 102 -3.968 -7.730 -13.901 1.00 4.54 H new ATOM 0 HB3 ASP A 102 -4.218 -6.003 -13.738 1.00 4.54 H new ATOM 1598 N ARG A 103 -3.183 -4.372 -16.292 1.00 60.14 N ATOM 1599 CA ARG A 103 -3.081 -2.918 -16.360 1.00 13.13 C ATOM 1600 C ARG A 103 -4.458 -2.245 -16.394 1.00 52.34 C ATOM 1601 O ARG A 103 -4.546 -1.018 -16.382 1.00 31.11 O ATOM 1602 CB ARG A 103 -2.208 -2.464 -17.545 1.00 23.51 C ATOM 1603 CG ARG A 103 -2.765 -2.757 -18.925 1.00 2.12 C ATOM 1604 CD ARG A 103 -1.987 -1.998 -19.987 1.00 22.53 C ATOM 1605 NE ARG A 103 -2.557 -2.157 -21.328 1.00 5.24 N ATOM 1606 CZ ARG A 103 -3.148 -1.171 -22.025 1.00 1.25 C ATOM 1607 NH1 ARG A 103 -3.365 0.022 -21.466 1.00 74.24 N ATOM 1608 NH2 ARG A 103 -3.558 -1.399 -23.266 1.00 15.32 N ATOM 0 H ARG A 103 -3.769 -4.802 -17.007 1.00 60.14 H new ATOM 0 HA ARG A 103 -2.587 -2.595 -15.444 1.00 13.13 H new ATOM 0 HB2 ARG A 103 -2.044 -1.390 -17.461 1.00 23.51 H new ATOM 0 HB3 ARG A 103 -1.233 -2.943 -17.458 1.00 23.51 H new ATOM 0 HG2 ARG A 103 -2.714 -3.827 -19.124 1.00 2.12 H new ATOM 0 HG3 ARG A 103 -3.817 -2.475 -18.966 1.00 2.12 H new ATOM 0 HD2 ARG A 103 -1.966 -0.939 -19.729 1.00 22.53 H new ATOM 0 HD3 ARG A 103 -0.954 -2.345 -19.992 1.00 22.53 H new ATOM 0 HE ARG A 103 -2.501 -3.078 -21.762 1.00 5.24 H new ATOM 0 HH11 ARG A 103 -3.082 0.192 -20.501 1.00 74.24 H new ATOM 0 HH12 ARG A 103 -3.814 0.763 -22.004 1.00 74.24 H new ATOM 0 HH21 ARG A 103 -3.424 -2.319 -23.686 1.00 15.32 H new ATOM 0 HH22 ARG A 103 -4.007 -0.655 -23.800 1.00 15.32 H new ATOM 1622 N ASP A 104 -5.519 -3.049 -16.394 1.00 21.21 N ATOM 1623 CA ASP A 104 -6.889 -2.535 -16.460 1.00 53.54 C ATOM 1624 C ASP A 104 -7.576 -2.650 -15.096 1.00 2.41 C ATOM 1625 O ASP A 104 -8.182 -1.693 -14.614 1.00 43.31 O ATOM 1626 CB ASP A 104 -7.693 -3.297 -17.523 1.00 34.31 C ATOM 1627 CG ASP A 104 -8.996 -2.609 -17.869 1.00 21.44 C ATOM 1628 OD1 ASP A 104 -8.977 -1.716 -18.738 1.00 52.14 O ATOM 1629 OD2 ASP A 104 -10.040 -2.944 -17.274 1.00 50.13 O ATOM 0 H ASP A 104 -5.457 -4.066 -16.349 1.00 21.21 H new ATOM 0 HA ASP A 104 -6.847 -1.482 -16.738 1.00 53.54 H new ATOM 0 HB2 ASP A 104 -7.090 -3.400 -18.425 1.00 34.31 H new ATOM 0 HB3 ASP A 104 -7.902 -4.304 -17.163 1.00 34.31 H new ATOM 1634 N ARG A 105 -7.455 -3.826 -14.480 1.00 12.20 N ATOM 1635 CA ARG A 105 -8.023 -4.099 -13.154 1.00 31.24 C ATOM 1636 C ARG A 105 -7.130 -3.523 -12.059 1.00 25.33 C ATOM 1637 O ARG A 105 -7.601 -3.212 -10.967 1.00 31.10 O ATOM 1638 CB ARG A 105 -8.181 -5.600 -12.938 1.00 52.14 C ATOM 1639 CG ARG A 105 -9.076 -6.286 -13.948 1.00 42.11 C ATOM 1640 CD ARG A 105 -9.022 -7.794 -13.793 1.00 53.40 C ATOM 1641 NE ARG A 105 -10.002 -8.469 -14.647 1.00 2.03 N ATOM 1642 CZ ARG A 105 -10.179 -9.794 -14.697 1.00 74.15 C ATOM 1643 NH1 ARG A 105 -9.379 -10.615 -14.020 1.00 22.51 N ATOM 1644 NH2 ARG A 105 -11.143 -10.294 -15.454 1.00 73.44 N ATOM 0 H ARG A 105 -6.959 -4.620 -14.885 1.00 12.20 H new ATOM 0 HA ARG A 105 -9.003 -3.624 -13.104 1.00 31.24 H new ATOM 0 HB2 ARG A 105 -7.196 -6.065 -12.969 1.00 52.14 H new ATOM 0 HB3 ARG A 105 -8.583 -5.771 -11.939 1.00 52.14 H new ATOM 0 HG2 ARG A 105 -10.102 -5.941 -13.822 1.00 42.11 H new ATOM 0 HG3 ARG A 105 -8.769 -6.010 -14.957 1.00 42.11 H new ATOM 0 HD2 ARG A 105 -8.021 -8.148 -14.040 1.00 53.40 H new ATOM 0 HD3 ARG A 105 -9.206 -8.058 -12.752 1.00 53.40 H new ATOM 0 HE ARG A 105 -10.590 -7.889 -15.245 1.00 2.03 H new ATOM 0 HH11 ARG A 105 -8.620 -10.236 -13.454 1.00 22.51 H new ATOM 0 HH12 ARG A 105 -9.525 -11.623 -14.067 1.00 22.51 H new ATOM 0 HH21 ARG A 105 -11.744 -9.670 -15.993 1.00 73.44 H new ATOM 0 HH22 ARG A 105 -11.285 -11.303 -15.498 1.00 73.44 H new ATOM 1658 N VAL A 106 -5.834 -3.426 -12.351 1.00 21.11 N ATOM 1659 CA VAL A 106 -4.908 -2.673 -11.512 1.00 11.35 C ATOM 1660 C VAL A 106 -5.076 -1.178 -11.808 1.00 2.33 C ATOM 1661 O VAL A 106 -5.091 -0.352 -10.893 1.00 23.44 O ATOM 1662 CB VAL A 106 -3.429 -3.111 -11.749 1.00 11.25 C ATOM 1663 CG1 VAL A 106 -2.454 -2.317 -10.889 1.00 4.03 C ATOM 1664 CG2 VAL A 106 -3.258 -4.595 -11.470 1.00 33.45 C ATOM 0 H VAL A 106 -5.402 -3.862 -13.166 1.00 21.11 H new ATOM 0 HA VAL A 106 -5.139 -2.876 -10.466 1.00 11.35 H new ATOM 0 HB VAL A 106 -3.202 -2.908 -12.796 1.00 11.25 H new ATOM 0 HG11 VAL A 106 -1.437 -2.655 -11.086 1.00 4.03 H new ATOM 0 HG12 VAL A 106 -2.537 -1.257 -11.129 1.00 4.03 H new ATOM 0 HG13 VAL A 106 -2.689 -2.470 -9.836 1.00 4.03 H new ATOM 0 HG21 VAL A 106 -2.220 -4.880 -11.641 1.00 33.45 H new ATOM 0 HG22 VAL A 106 -3.526 -4.804 -10.434 1.00 33.45 H new ATOM 0 HG23 VAL A 106 -3.906 -5.167 -12.134 1.00 33.45 H new ATOM 1674 N HIS A 107 -5.228 -0.868 -13.114 1.00 54.34 N ATOM 1675 CA HIS A 107 -5.411 0.497 -13.631 1.00 54.31 C ATOM 1676 C HIS A 107 -4.165 1.355 -13.305 1.00 71.44 C ATOM 1677 O HIS A 107 -3.071 0.814 -13.131 1.00 62.13 O ATOM 1678 CB HIS A 107 -6.735 1.106 -13.097 1.00 52.34 C ATOM 1679 CG HIS A 107 -7.459 2.005 -14.068 1.00 0.23 C ATOM 1680 ND1 HIS A 107 -7.079 2.526 -15.260 1.00 60.34 N flip ATOM 1681 CD2 HIS A 107 -8.719 2.505 -13.825 1.00 11.33 C flip ATOM 1682 CE1 HIS A 107 -8.105 3.321 -15.705 1.00 62.43 C flip ATOM 1683 NE2 HIS A 107 -9.082 3.293 -14.822 1.00 73.53 N flip ATOM 0 H HIS A 107 -5.226 -1.576 -13.848 1.00 54.34 H new ATOM 0 HA HIS A 107 -5.503 0.474 -14.717 1.00 54.31 H new ATOM 0 HB2 HIS A 107 -7.402 0.293 -12.811 1.00 52.34 H new ATOM 0 HB3 HIS A 107 -6.518 1.673 -12.192 1.00 52.34 H new ATOM 0 HD2 HIS A 107 -9.318 2.287 -12.954 1.00 11.33 H new ATOM 0 HE1 HIS A 107 -8.111 3.879 -16.630 1.00 62.43 H new ATOM 0 HE2 HIS A 107 -9.968 3.794 -14.895 1.00 73.53 H new ATOM 1692 N ASN A 108 -4.310 2.670 -13.245 1.00 12.24 N ATOM 1693 CA ASN A 108 -3.158 3.550 -13.045 1.00 4.03 C ATOM 1694 C ASN A 108 -3.005 3.950 -11.585 1.00 23.54 C ATOM 1695 O ASN A 108 -1.886 4.144 -11.106 1.00 63.02 O ATOM 1696 CB ASN A 108 -3.285 4.804 -13.913 1.00 24.10 C ATOM 1697 CG ASN A 108 -3.254 4.490 -15.397 1.00 71.31 C ATOM 1698 OD1 ASN A 108 -2.065 4.475 -15.973 1.00 41.03 O flip ATOM 1699 ND2 ASN A 108 -4.291 4.254 -16.013 1.00 25.15 N flip ATOM 0 H ASN A 108 -5.204 3.153 -13.331 1.00 12.24 H new ATOM 0 HA ASN A 108 -2.268 2.994 -13.341 1.00 4.03 H new ATOM 0 HB2 ASN A 108 -4.217 5.315 -13.673 1.00 24.10 H new ATOM 0 HB3 ASN A 108 -2.474 5.491 -13.673 1.00 24.10 H new ATOM 0 HD21 ASN A 108 -5.188 4.276 -15.529 1.00 25.15 H new ATOM 0 HD22 ASN A 108 -4.254 4.036 -17.009 1.00 25.15 H new ATOM 1706 N GLY A 109 -4.136 4.018 -10.885 1.00 34.42 N ATOM 1707 CA GLY A 109 -4.182 4.585 -9.552 1.00 21.30 C ATOM 1708 C GLY A 109 -3.630 3.690 -8.464 1.00 22.30 C ATOM 1709 O GLY A 109 -3.167 4.198 -7.454 1.00 45.00 O ATOM 0 H GLY A 109 -5.036 3.683 -11.228 1.00 34.42 H new ATOM 0 HA2 GLY A 109 -3.624 5.521 -9.551 1.00 21.30 H new ATOM 0 HA3 GLY A 109 -5.217 4.830 -9.312 1.00 21.30 H new ATOM 1713 N ASP A 110 -3.666 2.368 -8.664 1.00 53.20 N ATOM 1714 CA ASP A 110 -3.135 1.420 -7.667 1.00 2.51 C ATOM 1715 C ASP A 110 -1.613 1.375 -7.667 1.00 44.03 C ATOM 1716 O ASP A 110 -1.000 0.972 -6.680 1.00 40.34 O ATOM 1717 CB ASP A 110 -3.709 0.015 -7.859 1.00 11.23 C ATOM 1718 CG ASP A 110 -5.106 -0.101 -7.294 1.00 1.33 C ATOM 1719 OD1 ASP A 110 -5.247 -0.361 -6.080 1.00 40.32 O ATOM 1720 OD2 ASP A 110 -6.072 0.108 -8.049 1.00 50.32 O ATOM 0 H ASP A 110 -4.053 1.929 -9.499 1.00 53.20 H new ATOM 0 HA ASP A 110 -3.456 1.791 -6.693 1.00 2.51 H new ATOM 0 HB2 ASP A 110 -3.725 -0.229 -8.921 1.00 11.23 H new ATOM 0 HB3 ASP A 110 -3.059 -0.713 -7.374 1.00 11.23 H new ATOM 1725 N ILE A 111 -1.014 1.796 -8.777 1.00 30.21 N ATOM 1726 CA ILE A 111 0.426 2.009 -8.839 1.00 63.24 C ATOM 1727 C ILE A 111 0.760 3.323 -8.120 1.00 13.03 C ATOM 1728 O ILE A 111 1.636 3.362 -7.272 1.00 20.43 O ATOM 1729 CB ILE A 111 0.957 2.063 -10.308 1.00 24.41 C ATOM 1730 CG1 ILE A 111 0.434 0.873 -11.146 1.00 71.04 C ATOM 1731 CG2 ILE A 111 2.486 2.098 -10.334 1.00 52.41 C ATOM 1732 CD1 ILE A 111 0.843 -0.503 -10.640 1.00 74.30 C ATOM 0 H ILE A 111 -1.506 1.997 -9.647 1.00 30.21 H new ATOM 0 HA ILE A 111 0.915 1.165 -8.353 1.00 63.24 H new ATOM 0 HB ILE A 111 0.579 2.982 -10.756 1.00 24.41 H new ATOM 0 HG12 ILE A 111 -0.654 0.922 -11.178 1.00 71.04 H new ATOM 0 HG13 ILE A 111 0.789 0.986 -12.170 1.00 71.04 H new ATOM 0 HG21 ILE A 111 2.832 2.135 -11.367 1.00 52.41 H new ATOM 0 HG22 ILE A 111 2.839 2.981 -9.801 1.00 52.41 H new ATOM 0 HG23 ILE A 111 2.879 1.203 -9.852 1.00 52.41 H new ATOM 0 HD11 ILE A 111 0.427 -1.270 -11.294 1.00 74.30 H new ATOM 0 HD12 ILE A 111 1.930 -0.581 -10.635 1.00 74.30 H new ATOM 0 HD13 ILE A 111 0.465 -0.646 -9.628 1.00 74.30 H new ATOM 1744 N LYS A 112 -0.020 4.366 -8.423 1.00 12.04 N ATOM 1745 CA LYS A 112 0.190 5.727 -7.896 1.00 12.52 C ATOM 1746 C LYS A 112 0.055 5.813 -6.362 1.00 45.53 C ATOM 1747 O LYS A 112 0.815 6.537 -5.712 1.00 73.50 O ATOM 1748 CB LYS A 112 -0.815 6.676 -8.544 1.00 12.13 C ATOM 1749 CG LYS A 112 -0.561 6.962 -10.016 1.00 71.25 C ATOM 1750 CD LYS A 112 0.281 8.209 -10.209 1.00 5.14 C ATOM 1751 CE LYS A 112 0.197 8.691 -11.644 1.00 50.43 C ATOM 1752 NZ LYS A 112 0.868 9.995 -11.843 1.00 25.41 N ATOM 0 H LYS A 112 -0.824 4.293 -9.047 1.00 12.04 H new ATOM 0 HA LYS A 112 1.214 6.010 -8.141 1.00 12.52 H new ATOM 0 HB2 LYS A 112 -1.814 6.254 -8.437 1.00 12.13 H new ATOM 0 HB3 LYS A 112 -0.808 7.619 -7.998 1.00 12.13 H new ATOM 0 HG2 LYS A 112 -0.057 6.109 -10.471 1.00 71.25 H new ATOM 0 HG3 LYS A 112 -1.513 7.082 -10.533 1.00 71.25 H new ATOM 0 HD2 LYS A 112 -0.062 8.994 -9.535 1.00 5.14 H new ATOM 0 HD3 LYS A 112 1.319 7.998 -9.951 1.00 5.14 H new ATOM 0 HE2 LYS A 112 0.651 7.949 -12.301 1.00 50.43 H new ATOM 0 HE3 LYS A 112 -0.850 8.776 -11.935 1.00 50.43 H new ATOM 0 HZ1 LYS A 112 0.627 10.370 -12.783 1.00 25.41 H new ATOM 0 HZ2 LYS A 112 0.551 10.664 -11.112 1.00 25.41 H new ATOM 0 HZ3 LYS A 112 1.898 9.869 -11.774 1.00 25.41 H new ATOM 1766 N LYS A 113 -0.898 5.062 -5.796 1.00 32.41 N ATOM 1767 CA LYS A 113 -1.160 5.083 -4.350 1.00 43.31 C ATOM 1768 C LYS A 113 -0.063 4.348 -3.568 1.00 64.34 C ATOM 1769 O LYS A 113 0.271 4.739 -2.452 1.00 1.03 O ATOM 1770 CB LYS A 113 -2.552 4.487 -4.033 1.00 43.34 C ATOM 1771 CG LYS A 113 -2.723 3.017 -4.436 1.00 43.23 C ATOM 1772 CD LYS A 113 -4.120 2.469 -4.146 1.00 62.23 C ATOM 1773 CE LYS A 113 -5.191 3.139 -4.992 1.00 73.00 C ATOM 1774 NZ LYS A 113 -6.493 2.438 -4.878 1.00 14.44 N ATOM 0 H LYS A 113 -1.503 4.429 -6.319 1.00 32.41 H new ATOM 0 HA LYS A 113 -1.152 6.125 -4.030 1.00 43.31 H new ATOM 0 HB2 LYS A 113 -2.738 4.581 -2.963 1.00 43.34 H new ATOM 0 HB3 LYS A 113 -3.311 5.081 -4.542 1.00 43.34 H new ATOM 0 HG2 LYS A 113 -2.513 2.913 -5.500 1.00 43.23 H new ATOM 0 HG3 LYS A 113 -1.986 2.414 -3.905 1.00 43.23 H new ATOM 0 HD2 LYS A 113 -4.132 1.395 -4.332 1.00 62.23 H new ATOM 0 HD3 LYS A 113 -4.352 2.612 -3.091 1.00 62.23 H new ATOM 0 HE2 LYS A 113 -5.307 4.177 -4.679 1.00 73.00 H new ATOM 0 HE3 LYS A 113 -4.875 3.154 -6.035 1.00 73.00 H new ATOM 0 HZ1 LYS A 113 -7.200 2.921 -5.468 1.00 14.44 H new ATOM 0 HZ2 LYS A 113 -6.387 1.455 -5.200 1.00 14.44 H new ATOM 0 HZ3 LYS A 113 -6.806 2.446 -3.886 1.00 14.44 H new ATOM 1788 N LEU A 114 0.527 3.319 -4.187 1.00 54.21 N ATOM 1789 CA LEU A 114 1.531 2.495 -3.533 1.00 42.33 C ATOM 1790 C LEU A 114 2.905 3.187 -3.518 1.00 41.31 C ATOM 1791 O LEU A 114 3.757 2.833 -2.707 1.00 3.31 O ATOM 1792 CB LEU A 114 1.538 1.076 -4.168 1.00 60.40 C ATOM 1793 CG LEU A 114 2.893 0.473 -4.587 1.00 20.25 C ATOM 1794 CD1 LEU A 114 2.846 -1.039 -4.592 1.00 64.04 C ATOM 1795 CD2 LEU A 114 3.282 0.961 -5.967 1.00 54.32 C ATOM 0 H LEU A 114 0.320 3.042 -5.146 1.00 54.21 H new ATOM 0 HA LEU A 114 1.274 2.367 -2.481 1.00 42.33 H new ATOM 0 HB2 LEU A 114 1.074 0.391 -3.458 1.00 60.40 H new ATOM 0 HB3 LEU A 114 0.898 1.103 -5.050 1.00 60.40 H new ATOM 0 HG LEU A 114 3.635 0.798 -3.857 1.00 20.25 H new ATOM 0 HD11 LEU A 114 3.817 -1.432 -4.892 1.00 64.04 H new ATOM 0 HD12 LEU A 114 2.602 -1.399 -3.592 1.00 64.04 H new ATOM 0 HD13 LEU A 114 2.085 -1.377 -5.295 1.00 64.04 H new ATOM 0 HD21 LEU A 114 4.241 0.527 -6.249 1.00 54.32 H new ATOM 0 HD22 LEU A 114 2.521 0.660 -6.687 1.00 54.32 H new ATOM 0 HD23 LEU A 114 3.364 2.048 -5.959 1.00 54.32 H new ATOM 1807 N ILE A 115 3.100 4.197 -4.399 1.00 53.43 N ATOM 1808 CA ILE A 115 4.340 5.000 -4.405 1.00 13.02 C ATOM 1809 C ILE A 115 4.450 5.792 -3.099 1.00 33.40 C ATOM 1810 O ILE A 115 5.537 5.924 -2.520 1.00 43.10 O ATOM 1811 CB ILE A 115 4.431 6.009 -5.589 1.00 32.00 C ATOM 1812 CG1 ILE A 115 4.047 5.374 -6.943 1.00 34.44 C ATOM 1813 CG2 ILE A 115 5.842 6.601 -5.672 1.00 33.24 C ATOM 1814 CD1 ILE A 115 4.996 4.306 -7.467 1.00 11.34 C ATOM 0 H ILE A 115 2.419 4.471 -5.108 1.00 53.43 H new ATOM 0 HA ILE A 115 5.156 4.286 -4.517 1.00 13.02 H new ATOM 0 HB ILE A 115 3.709 6.800 -5.387 1.00 32.00 H new ATOM 0 HG12 ILE A 115 3.054 4.936 -6.848 1.00 34.44 H new ATOM 0 HG13 ILE A 115 3.976 6.167 -7.688 1.00 34.44 H new ATOM 0 HG21 ILE A 115 5.893 7.304 -6.503 1.00 33.24 H new ATOM 0 HG22 ILE A 115 6.074 7.120 -4.742 1.00 33.24 H new ATOM 0 HG23 ILE A 115 6.564 5.800 -5.830 1.00 33.24 H new ATOM 0 HD11 ILE A 115 4.629 3.930 -8.422 1.00 11.34 H new ATOM 0 HD12 ILE A 115 5.988 4.736 -7.603 1.00 11.34 H new ATOM 0 HD13 ILE A 115 5.051 3.486 -6.751 1.00 11.34 H new ATOM 1826 N SER A 116 3.293 6.264 -2.627 1.00 1.12 N ATOM 1827 CA SER A 116 3.190 6.998 -1.376 1.00 23.43 C ATOM 1828 C SER A 116 3.526 6.097 -0.183 1.00 23.14 C ATOM 1829 O SER A 116 4.196 6.530 0.756 1.00 24.01 O ATOM 1830 CB SER A 116 1.775 7.563 -1.228 1.00 22.41 C ATOM 1831 OG SER A 116 1.431 8.378 -2.339 1.00 51.04 O ATOM 0 H SER A 116 2.402 6.144 -3.108 1.00 1.12 H new ATOM 0 HA SER A 116 3.908 7.818 -1.393 1.00 23.43 H new ATOM 0 HB2 SER A 116 1.061 6.744 -1.139 1.00 22.41 H new ATOM 0 HB3 SER A 116 1.707 8.147 -0.310 1.00 22.41 H new ATOM 0 HG SER A 116 0.522 8.725 -2.221 1.00 51.04 H new ATOM 1837 N TRP A 117 3.104 4.829 -0.255 1.00 11.13 N ATOM 1838 CA TRP A 117 3.262 3.911 0.868 1.00 3.31 C ATOM 1839 C TRP A 117 4.635 3.242 0.880 1.00 41.30 C ATOM 1840 O TRP A 117 5.053 2.779 1.931 1.00 42.22 O ATOM 1841 CB TRP A 117 2.151 2.859 0.900 1.00 4.31 C ATOM 1842 CG TRP A 117 0.765 3.445 0.901 1.00 14.14 C ATOM 1843 CD1 TRP A 117 0.345 4.578 1.540 1.00 32.45 C ATOM 1844 CD2 TRP A 117 -0.384 2.912 0.243 1.00 62.11 C ATOM 1845 NE1 TRP A 117 -0.987 4.791 1.297 1.00 23.23 N ATOM 1846 CE2 TRP A 117 -1.458 3.781 0.504 1.00 72.32 C ATOM 1847 CE3 TRP A 117 -0.612 1.793 -0.553 1.00 21.10 C ATOM 1848 CZ2 TRP A 117 -2.734 3.557 0.003 1.00 75.44 C ATOM 1849 CZ3 TRP A 117 -1.879 1.574 -1.045 1.00 25.11 C ATOM 1850 CH2 TRP A 117 -2.926 2.450 -0.763 1.00 4.20 C ATOM 0 H TRP A 117 2.654 4.422 -1.075 1.00 11.13 H new ATOM 0 HA TRP A 117 3.183 4.516 1.771 1.00 3.31 H new ATOM 0 HB2 TRP A 117 2.258 2.203 0.036 1.00 4.31 H new ATOM 0 HB3 TRP A 117 2.275 2.239 1.788 1.00 4.31 H new ATOM 0 HD1 TRP A 117 0.972 5.213 2.148 1.00 32.45 H new ATOM 0 HE1 TRP A 117 -1.537 5.574 1.650 1.00 23.23 H new ATOM 0 HE3 TRP A 117 0.191 1.108 -0.781 1.00 21.10 H new ATOM 0 HZ2 TRP A 117 -3.545 4.238 0.214 1.00 75.44 H new ATOM 0 HZ3 TRP A 117 -2.065 0.707 -1.661 1.00 25.11 H new ATOM 0 HH2 TRP A 117 -3.909 2.245 -1.161 1.00 4.20 H new ATOM 1861 N TYR A 118 5.341 3.203 -0.284 1.00 11.11 N ATOM 1862 CA TYR A 118 6.769 2.807 -0.329 1.00 73.05 C ATOM 1863 C TYR A 118 7.553 3.642 0.662 1.00 45.21 C ATOM 1864 O TYR A 118 8.295 3.125 1.490 1.00 25.11 O ATOM 1865 CB TYR A 118 7.444 3.093 -1.676 1.00 21.24 C ATOM 1866 CG TYR A 118 7.122 2.220 -2.856 1.00 54.13 C ATOM 1867 CD1 TYR A 118 7.214 0.841 -2.816 1.00 23.50 C ATOM 1868 CD2 TYR A 118 6.806 2.812 -4.054 1.00 33.44 C ATOM 1869 CE1 TYR A 118 6.991 0.087 -3.950 1.00 21.53 C ATOM 1870 CE2 TYR A 118 6.573 2.073 -5.179 1.00 50.40 C ATOM 1871 CZ TYR A 118 6.666 0.716 -5.125 1.00 13.41 C ATOM 1872 OH TYR A 118 6.428 -0.010 -6.256 1.00 72.44 O ATOM 0 H TYR A 118 4.945 3.439 -1.194 1.00 11.11 H new ATOM 0 HA TYR A 118 6.775 1.737 -0.123 1.00 73.05 H new ATOM 0 HB2 TYR A 118 7.204 4.120 -1.952 1.00 21.24 H new ATOM 0 HB3 TYR A 118 8.522 3.049 -1.519 1.00 21.24 H new ATOM 0 HD1 TYR A 118 7.463 0.349 -1.887 1.00 23.50 H new ATOM 0 HD2 TYR A 118 6.740 3.889 -4.108 1.00 33.44 H new ATOM 0 HE1 TYR A 118 7.072 -0.989 -3.913 1.00 21.53 H new ATOM 0 HE2 TYR A 118 6.316 2.563 -6.107 1.00 50.40 H new ATOM 0 HH TYR A 118 6.810 0.455 -7.030 1.00 72.44 H new ATOM 1882 N ASN A 119 7.318 4.947 0.555 1.00 54.30 N ATOM 1883 CA ASN A 119 8.057 5.955 1.298 1.00 55.32 C ATOM 1884 C ASN A 119 7.812 5.864 2.811 1.00 41.30 C ATOM 1885 O ASN A 119 8.770 5.817 3.572 1.00 0.31 O ATOM 1886 CB ASN A 119 7.692 7.340 0.763 1.00 3.13 C ATOM 1887 CG ASN A 119 8.770 8.374 1.025 1.00 4.21 C ATOM 1888 OD1 ASN A 119 9.733 8.460 0.114 1.00 21.32 O flip ATOM 1889 ND2 ASN A 119 8.747 9.071 2.033 1.00 73.50 N flip ATOM 0 H ASN A 119 6.601 5.335 -0.058 1.00 54.30 H new ATOM 0 HA ASN A 119 9.122 5.775 1.152 1.00 55.32 H new ATOM 0 HB2 ASN A 119 7.511 7.274 -0.310 1.00 3.13 H new ATOM 0 HB3 ASN A 119 6.760 7.668 1.224 1.00 3.13 H new ATOM 0 HD21 ASN A 119 7.987 8.970 2.706 1.00 73.50 H new ATOM 0 HD22 ASN A 119 9.488 9.752 2.199 1.00 73.50 H new ATOM 1896 N ILE A 120 6.542 5.769 3.227 1.00 74.23 N ATOM 1897 CA ILE A 120 6.177 5.783 4.659 1.00 11.42 C ATOM 1898 C ILE A 120 6.617 4.489 5.370 1.00 31.03 C ATOM 1899 O ILE A 120 7.115 4.538 6.501 1.00 3.41 O ATOM 1900 CB ILE A 120 4.647 5.995 4.860 1.00 61.11 C ATOM 1901 CG1 ILE A 120 4.150 7.175 4.012 1.00 75.43 C ATOM 1902 CG2 ILE A 120 4.326 6.248 6.339 1.00 51.13 C ATOM 1903 CD1 ILE A 120 2.643 7.247 3.863 1.00 52.05 C ATOM 0 H ILE A 120 5.746 5.681 2.595 1.00 74.23 H new ATOM 0 HA ILE A 120 6.707 6.624 5.105 1.00 11.42 H new ATOM 0 HB ILE A 120 4.136 5.088 4.538 1.00 61.11 H new ATOM 0 HG12 ILE A 120 4.504 8.103 4.460 1.00 75.43 H new ATOM 0 HG13 ILE A 120 4.598 7.109 3.021 1.00 75.43 H new ATOM 0 HG21 ILE A 120 3.252 6.394 6.459 1.00 51.13 H new ATOM 0 HG22 ILE A 120 4.644 5.391 6.932 1.00 51.13 H new ATOM 0 HG23 ILE A 120 4.853 7.140 6.678 1.00 51.13 H new ATOM 0 HD11 ILE A 120 2.379 8.109 3.250 1.00 52.05 H new ATOM 0 HD12 ILE A 120 2.281 6.337 3.385 1.00 52.05 H new ATOM 0 HD13 ILE A 120 2.184 7.347 4.847 1.00 52.05 H new ATOM 1915 N LEU A 121 6.472 3.344 4.685 1.00 35.04 N ATOM 1916 CA LEU A 121 6.813 2.039 5.265 1.00 13.41 C ATOM 1917 C LEU A 121 8.325 1.880 5.490 1.00 1.24 C ATOM 1918 O LEU A 121 8.729 1.258 6.459 1.00 53.22 O ATOM 1919 CB LEU A 121 6.268 0.892 4.391 1.00 61.34 C ATOM 1920 CG LEU A 121 4.732 0.776 4.324 1.00 20.43 C ATOM 1921 CD1 LEU A 121 4.302 -0.179 3.222 1.00 31.53 C ATOM 1922 CD2 LEU A 121 4.163 0.312 5.653 1.00 1.23 C ATOM 0 H LEU A 121 6.121 3.297 3.729 1.00 35.04 H new ATOM 0 HA LEU A 121 6.335 1.989 6.244 1.00 13.41 H new ATOM 0 HB2 LEU A 121 6.649 1.019 3.378 1.00 61.34 H new ATOM 0 HB3 LEU A 121 6.669 -0.049 4.767 1.00 61.34 H new ATOM 0 HG LEU A 121 4.341 1.768 4.100 1.00 20.43 H new ATOM 0 HD11 LEU A 121 3.214 -0.241 3.198 1.00 31.53 H new ATOM 0 HD12 LEU A 121 4.666 0.186 2.262 1.00 31.53 H new ATOM 0 HD13 LEU A 121 4.718 -1.168 3.415 1.00 31.53 H new ATOM 0 HD21 LEU A 121 3.078 0.239 5.579 1.00 1.23 H new ATOM 0 HD22 LEU A 121 4.576 -0.665 5.905 1.00 1.23 H new ATOM 0 HD23 LEU A 121 4.426 1.029 6.431 1.00 1.23 H new ATOM 1934 N VAL A 122 9.156 2.430 4.596 1.00 74.03 N ATOM 1935 CA VAL A 122 10.617 2.432 4.804 1.00 23.12 C ATOM 1936 C VAL A 122 11.034 3.450 5.887 1.00 14.31 C ATOM 1937 O VAL A 122 11.869 3.142 6.739 1.00 72.30 O ATOM 1938 CB VAL A 122 11.407 2.699 3.490 1.00 42.51 C ATOM 1939 CG1 VAL A 122 12.915 2.593 3.707 1.00 74.54 C ATOM 1940 CG2 VAL A 122 10.995 1.729 2.403 1.00 10.42 C ATOM 0 H VAL A 122 8.851 2.875 3.731 1.00 74.03 H new ATOM 0 HA VAL A 122 10.873 1.430 5.147 1.00 23.12 H new ATOM 0 HB VAL A 122 11.167 3.716 3.180 1.00 42.51 H new ATOM 0 HG11 VAL A 122 13.432 2.786 2.767 1.00 74.54 H new ATOM 0 HG12 VAL A 122 13.228 3.326 4.450 1.00 74.54 H new ATOM 0 HG13 VAL A 122 13.162 1.591 4.059 1.00 74.54 H new ATOM 0 HG21 VAL A 122 11.562 1.937 1.496 1.00 10.42 H new ATOM 0 HG22 VAL A 122 11.196 0.709 2.730 1.00 10.42 H new ATOM 0 HG23 VAL A 122 9.930 1.842 2.199 1.00 10.42 H new ATOM 1950 N ASN A 123 10.409 4.639 5.864 1.00 62.34 N ATOM 1951 CA ASN A 123 10.786 5.766 6.746 1.00 12.12 C ATOM 1952 C ASN A 123 10.592 5.469 8.231 1.00 21.23 C ATOM 1953 O ASN A 123 11.430 5.834 9.056 1.00 12.45 O ATOM 1954 CB ASN A 123 9.989 7.019 6.385 1.00 35.43 C ATOM 1955 CG ASN A 123 10.784 8.008 5.558 1.00 4.23 C ATOM 1956 OD1 ASN A 123 11.471 8.871 6.093 1.00 32.34 O ATOM 1957 ND2 ASN A 123 10.703 7.888 4.244 1.00 1.22 N ATOM 0 H ASN A 123 9.632 4.850 5.238 1.00 62.34 H new ATOM 0 HA ASN A 123 11.851 5.927 6.580 1.00 12.12 H new ATOM 0 HB2 ASN A 123 9.095 6.728 5.833 1.00 35.43 H new ATOM 0 HB3 ASN A 123 9.654 7.506 7.301 1.00 35.43 H new ATOM 0 HD21 ASN A 123 11.222 8.526 3.641 1.00 1.22 H new ATOM 0 HD22 ASN A 123 10.121 7.158 3.833 1.00 1.22 H new ATOM 1964 N ASN A 124 9.491 4.808 8.564 1.00 63.04 N ATOM 1965 CA ASN A 124 9.182 4.470 9.958 1.00 75.04 C ATOM 1966 C ASN A 124 9.632 3.040 10.287 1.00 62.22 C ATOM 1967 O ASN A 124 9.513 2.586 11.429 1.00 53.32 O ATOM 1968 CB ASN A 124 7.678 4.644 10.224 1.00 30.42 C ATOM 1969 CG ASN A 124 7.229 6.094 10.434 1.00 34.11 C ATOM 1970 OD1 ASN A 124 6.217 6.341 11.083 1.00 0.34 O ATOM 1971 ND2 ASN A 124 7.969 7.068 9.915 1.00 33.44 N ATOM 0 H ASN A 124 8.793 4.492 7.891 1.00 63.04 H new ATOM 0 HA ASN A 124 9.731 5.150 10.609 1.00 75.04 H new ATOM 0 HB2 ASN A 124 7.123 4.224 9.385 1.00 30.42 H new ATOM 0 HB3 ASN A 124 7.409 4.063 11.106 1.00 30.42 H new ATOM 0 HD21 ASN A 124 7.699 8.042 10.053 1.00 33.44 H new ATOM 0 HD22 ASN A 124 8.807 6.842 9.379 1.00 33.44 H new ATOM 1978 N GLY A 125 10.187 2.362 9.271 1.00 42.52 N ATOM 1979 CA GLY A 125 10.696 1.009 9.417 1.00 45.43 C ATOM 1980 C GLY A 125 9.641 -0.043 9.675 1.00 63.42 C ATOM 1981 O GLY A 125 9.903 -1.021 10.362 1.00 43.44 O ATOM 0 H GLY A 125 10.291 2.744 8.331 1.00 42.52 H new ATOM 0 HA2 GLY A 125 11.241 0.742 8.512 1.00 45.43 H new ATOM 0 HA3 GLY A 125 11.413 0.993 10.238 1.00 45.43 H new ATOM 1985 N ILE A 126 8.475 0.156 9.081 1.00 64.25 N ATOM 1986 CA ILE A 126 7.331 -0.716 9.272 1.00 63.42 C ATOM 1987 C ILE A 126 7.506 -1.986 8.448 1.00 33.22 C ATOM 1988 O ILE A 126 7.819 -3.042 8.993 1.00 61.45 O ATOM 1989 CB ILE A 126 6.021 -0.009 8.850 1.00 31.30 C ATOM 1990 CG1 ILE A 126 5.938 1.388 9.483 1.00 12.34 C ATOM 1991 CG2 ILE A 126 4.820 -0.863 9.247 1.00 32.34 C ATOM 1992 CD1 ILE A 126 4.973 2.331 8.791 1.00 61.43 C ATOM 0 H ILE A 126 8.296 0.935 8.447 1.00 64.25 H new ATOM 0 HA ILE A 126 7.268 -0.968 10.331 1.00 63.42 H new ATOM 0 HB ILE A 126 6.014 0.114 7.767 1.00 31.30 H new ATOM 0 HG12 ILE A 126 5.641 1.284 10.526 1.00 12.34 H new ATOM 0 HG13 ILE A 126 6.932 1.836 9.478 1.00 12.34 H new ATOM 0 HG21 ILE A 126 3.901 -0.360 8.947 1.00 32.34 H new ATOM 0 HG22 ILE A 126 4.882 -1.831 8.751 1.00 32.34 H new ATOM 0 HG23 ILE A 126 4.818 -1.009 10.327 1.00 32.34 H new ATOM 0 HD11 ILE A 126 4.976 3.294 9.302 1.00 61.43 H new ATOM 0 HD12 ILE A 126 5.280 2.469 7.754 1.00 61.43 H new ATOM 0 HD13 ILE A 126 3.969 1.909 8.819 1.00 61.43 H new ATOM 2004 N THR A 127 7.317 -1.838 7.126 1.00 64.20 N ATOM 2005 CA THR A 127 7.483 -2.902 6.122 1.00 31.14 C ATOM 2006 C THR A 127 6.826 -4.231 6.520 1.00 70.13 C ATOM 2007 O THR A 127 7.469 -5.284 6.571 1.00 11.23 O ATOM 2008 CB THR A 127 8.970 -3.097 5.707 1.00 64.31 C ATOM 2009 OG1 THR A 127 9.831 -3.234 6.844 1.00 21.32 O ATOM 2010 CG2 THR A 127 9.428 -1.918 4.869 1.00 44.30 C ATOM 0 H THR A 127 7.036 -0.948 6.714 1.00 64.20 H new ATOM 0 HA THR A 127 6.942 -2.552 5.243 1.00 31.14 H new ATOM 0 HB THR A 127 9.030 -4.018 5.127 1.00 64.31 H new ATOM 0 HG1 THR A 127 10.386 -4.035 6.739 1.00 21.32 H new ATOM 0 HG21 THR A 127 10.470 -2.059 4.581 1.00 44.30 H new ATOM 0 HG22 THR A 127 8.810 -1.846 3.974 1.00 44.30 H new ATOM 0 HG23 THR A 127 9.333 -1.000 5.450 1.00 44.30 H new ATOM 2018 N GLU A 128 5.524 -4.167 6.790 1.00 25.52 N ATOM 2019 CA GLU A 128 4.784 -5.327 7.261 1.00 41.42 C ATOM 2020 C GLU A 128 4.176 -6.153 6.109 1.00 23.44 C ATOM 2021 O GLU A 128 2.961 -6.263 5.945 1.00 12.44 O ATOM 2022 CB GLU A 128 3.736 -4.913 8.301 1.00 52.43 C ATOM 2023 CG GLU A 128 2.744 -3.828 7.893 1.00 0.22 C ATOM 2024 CD GLU A 128 1.587 -3.746 8.874 1.00 11.12 C ATOM 2025 OE1 GLU A 128 1.846 -3.756 10.090 1.00 65.30 O ATOM 2026 OE2 GLU A 128 0.416 -3.719 8.437 1.00 55.33 O ATOM 0 H GLU A 128 4.962 -3.321 6.689 1.00 25.52 H new ATOM 0 HA GLU A 128 5.495 -5.992 7.752 1.00 41.42 H new ATOM 0 HB2 GLU A 128 3.170 -5.801 8.583 1.00 52.43 H new ATOM 0 HB3 GLU A 128 4.261 -4.573 9.194 1.00 52.43 H new ATOM 0 HG2 GLU A 128 3.253 -2.865 7.845 1.00 0.22 H new ATOM 0 HG3 GLU A 128 2.363 -4.037 6.893 1.00 0.22 H new ATOM 2033 N PHE A 129 5.069 -6.742 5.316 1.00 3.42 N ATOM 2034 CA PHE A 129 4.700 -7.506 4.120 1.00 11.05 C ATOM 2035 C PHE A 129 5.842 -8.440 3.717 1.00 10.44 C ATOM 2036 O PHE A 129 5.621 -9.518 3.166 1.00 43.44 O ATOM 2037 CB PHE A 129 4.310 -6.567 2.950 1.00 62.42 C ATOM 2038 CG PHE A 129 5.280 -5.447 2.662 1.00 43.44 C ATOM 2039 CD1 PHE A 129 5.155 -4.240 3.316 1.00 3.44 C ATOM 2040 CD2 PHE A 129 6.310 -5.603 1.751 1.00 2.42 C ATOM 2041 CE1 PHE A 129 6.032 -3.216 3.080 1.00 52.34 C ATOM 2042 CE2 PHE A 129 7.196 -4.575 1.508 1.00 35.24 C ATOM 2043 CZ PHE A 129 7.056 -3.379 2.175 1.00 4.43 C ATOM 0 H PHE A 129 6.074 -6.704 5.484 1.00 3.42 H new ATOM 0 HA PHE A 129 3.825 -8.111 4.358 1.00 11.05 H new ATOM 0 HB2 PHE A 129 4.198 -7.168 2.047 1.00 62.42 H new ATOM 0 HB3 PHE A 129 3.334 -6.132 3.167 1.00 62.42 H new ATOM 0 HD1 PHE A 129 4.353 -4.100 4.025 1.00 3.44 H new ATOM 0 HD2 PHE A 129 6.421 -6.540 1.225 1.00 2.42 H new ATOM 0 HE1 PHE A 129 5.920 -2.279 3.605 1.00 52.34 H new ATOM 0 HE2 PHE A 129 7.998 -4.708 0.796 1.00 35.24 H new ATOM 0 HZ PHE A 129 7.748 -2.571 1.989 1.00 4.43 H new ATOM 2053 N VAL A 130 7.064 -8.003 4.014 1.00 14.51 N ATOM 2054 CA VAL A 130 8.267 -8.800 3.806 1.00 71.33 C ATOM 2055 C VAL A 130 8.575 -9.617 5.083 1.00 32.21 C ATOM 2056 O VAL A 130 9.404 -10.532 5.071 1.00 25.21 O ATOM 2057 CB VAL A 130 9.457 -7.866 3.383 1.00 10.33 C ATOM 2058 CG1 VAL A 130 9.773 -6.816 4.439 1.00 15.21 C ATOM 2059 CG2 VAL A 130 10.713 -8.648 3.011 1.00 5.52 C ATOM 0 H VAL A 130 7.247 -7.080 4.408 1.00 14.51 H new ATOM 0 HA VAL A 130 8.114 -9.512 2.995 1.00 71.33 H new ATOM 0 HB VAL A 130 9.117 -7.346 2.487 1.00 10.33 H new ATOM 0 HG11 VAL A 130 10.603 -6.196 4.099 1.00 15.21 H new ATOM 0 HG12 VAL A 130 8.896 -6.190 4.604 1.00 15.21 H new ATOM 0 HG13 VAL A 130 10.047 -7.309 5.372 1.00 15.21 H new ATOM 0 HG21 VAL A 130 11.503 -7.953 2.727 1.00 5.52 H new ATOM 0 HG22 VAL A 130 11.040 -9.240 3.866 1.00 5.52 H new ATOM 0 HG23 VAL A 130 10.494 -9.311 2.174 1.00 5.52 H new ATOM 2069 N GLU A 131 7.844 -9.270 6.178 1.00 14.42 N ATOM 2070 CA GLU A 131 7.981 -9.862 7.529 1.00 41.13 C ATOM 2071 C GLU A 131 9.324 -9.501 8.186 1.00 3.43 C ATOM 2072 O GLU A 131 9.685 -10.056 9.228 1.00 74.31 O ATOM 2073 CB GLU A 131 7.779 -11.388 7.530 1.00 71.11 C ATOM 2074 CG GLU A 131 6.421 -11.846 7.010 1.00 33.14 C ATOM 2075 CD GLU A 131 6.302 -13.356 6.974 1.00 21.21 C ATOM 2076 OE1 GLU A 131 6.885 -13.982 6.068 1.00 31.40 O ATOM 2077 OE2 GLU A 131 5.648 -13.929 7.867 1.00 61.40 O ATOM 0 H GLU A 131 7.123 -8.549 6.139 1.00 14.42 H new ATOM 0 HA GLU A 131 7.181 -9.422 8.125 1.00 41.13 H new ATOM 0 HB2 GLU A 131 8.560 -11.846 6.922 1.00 71.11 H new ATOM 0 HB3 GLU A 131 7.908 -11.758 8.547 1.00 71.11 H new ATOM 0 HG2 GLU A 131 5.634 -11.436 7.643 1.00 33.14 H new ATOM 0 HG3 GLU A 131 6.264 -11.447 6.008 1.00 33.14 H new ATOM 2084 N ALA A 132 10.040 -8.553 7.586 1.00 63.00 N ATOM 2085 CA ALA A 132 11.314 -8.084 8.101 1.00 4.40 C ATOM 2086 C ALA A 132 11.284 -6.562 8.239 1.00 70.43 C ATOM 2087 O ALA A 132 11.554 -5.842 7.277 1.00 34.31 O ATOM 2088 CB ALA A 132 12.458 -8.530 7.193 1.00 65.23 C ATOM 0 H ALA A 132 9.747 -8.090 6.726 1.00 63.00 H new ATOM 0 HA ALA A 132 11.484 -8.520 9.085 1.00 4.40 H new ATOM 0 HB1 ALA A 132 13.404 -8.169 7.596 1.00 65.23 H new ATOM 0 HB2 ALA A 132 12.478 -9.619 7.141 1.00 65.23 H new ATOM 0 HB3 ALA A 132 12.310 -8.121 6.193 1.00 65.23 H new ATOM 2094 N PRO A 133 10.890 -6.052 9.426 1.00 2.32 N ATOM 2095 CA PRO A 133 10.794 -4.615 9.688 1.00 31.33 C ATOM 2096 C PRO A 133 12.156 -3.975 9.941 1.00 63.43 C ATOM 2097 O PRO A 133 12.940 -4.470 10.758 1.00 42.53 O ATOM 2098 CB PRO A 133 9.924 -4.534 10.948 1.00 72.44 C ATOM 2099 CG PRO A 133 9.436 -5.919 11.206 1.00 14.44 C ATOM 2100 CD PRO A 133 10.462 -6.821 10.604 1.00 31.34 C ATOM 0 HA PRO A 133 10.382 -4.077 8.834 1.00 31.33 H new ATOM 0 HB2 PRO A 133 10.499 -4.160 11.795 1.00 72.44 H new ATOM 0 HB3 PRO A 133 9.090 -3.848 10.802 1.00 72.44 H new ATOM 0 HG2 PRO A 133 9.329 -6.105 12.275 1.00 14.44 H new ATOM 0 HG3 PRO A 133 8.457 -6.081 10.754 1.00 14.44 H new ATOM 0 HD2 PRO A 133 11.288 -7.013 11.288 1.00 31.34 H new ATOM 0 HD3 PRO A 133 10.044 -7.789 10.329 1.00 31.34 H new ATOM 2108 N ALA A 134 12.432 -2.891 9.214 1.00 3.35 N ATOM 2109 CA ALA A 134 13.685 -2.152 9.358 1.00 51.01 C ATOM 2110 C ALA A 134 13.695 -1.356 10.664 1.00 51.13 C ATOM 2111 O ALA A 134 13.152 -0.264 10.726 1.00 44.02 O ATOM 2112 CB ALA A 134 13.905 -1.243 8.155 1.00 35.23 C ATOM 0 H ALA A 134 11.798 -2.504 8.515 1.00 3.35 H new ATOM 0 HA ALA A 134 14.509 -2.865 9.398 1.00 51.01 H new ATOM 0 HB1 ALA A 134 14.842 -0.699 8.276 1.00 35.23 H new ATOM 0 HB2 ALA A 134 13.950 -1.845 7.247 1.00 35.23 H new ATOM 0 HB3 ALA A 134 13.081 -0.534 8.079 1.00 35.23 H new ATOM 2118 N LEU A 135 14.342 -1.948 11.681 1.00 41.34 N ATOM 2119 CA LEU A 135 14.279 -1.568 13.114 1.00 12.02 C ATOM 2120 C LEU A 135 12.852 -1.670 13.716 1.00 23.43 C ATOM 2121 O LEU A 135 12.662 -2.532 14.568 1.00 34.41 O ATOM 2122 CB LEU A 135 15.037 -0.248 13.477 1.00 21.13 C ATOM 2123 CG LEU A 135 14.458 1.112 13.045 1.00 44.33 C ATOM 2124 CD1 LEU A 135 13.832 1.839 14.232 1.00 55.31 C ATOM 2125 CD2 LEU A 135 15.540 1.964 12.397 1.00 50.41 C ATOM 0 H LEU A 135 14.957 -2.747 11.525 1.00 41.34 H new ATOM 0 HA LEU A 135 14.858 -2.338 13.624 1.00 12.02 H new ATOM 0 HB2 LEU A 135 15.147 -0.224 14.561 1.00 21.13 H new ATOM 0 HB3 LEU A 135 16.040 -0.323 13.056 1.00 21.13 H new ATOM 0 HG LEU A 135 13.672 0.934 12.311 1.00 44.33 H new ATOM 0 HD11 LEU A 135 13.430 2.797 13.901 1.00 55.31 H new ATOM 0 HD12 LEU A 135 13.028 1.232 14.647 1.00 55.31 H new ATOM 0 HD13 LEU A 135 14.591 2.008 14.996 1.00 55.31 H new ATOM 0 HD21 LEU A 135 15.117 2.923 12.096 1.00 50.41 H new ATOM 0 HD22 LEU A 135 16.347 2.131 13.110 1.00 50.41 H new ATOM 0 HD23 LEU A 135 15.932 1.449 11.520 1.00 50.41 H new ATOM 2137 N GLU A 136 11.882 -0.823 13.269 1.00 12.53 N ATOM 2138 CA GLU A 136 10.462 -0.823 13.733 1.00 2.10 C ATOM 2139 C GLU A 136 10.302 -0.348 15.191 1.00 41.40 C ATOM 2140 O GLU A 136 11.124 -0.618 16.065 1.00 63.13 O ATOM 2141 CB GLU A 136 9.825 -2.215 13.492 1.00 50.35 C ATOM 2142 CG GLU A 136 8.400 -2.438 13.998 1.00 24.41 C ATOM 2143 CD GLU A 136 7.348 -1.546 13.357 1.00 43.41 C ATOM 2144 OE1 GLU A 136 6.979 -1.803 12.205 1.00 24.35 O ATOM 2145 OE2 GLU A 136 6.862 -0.610 14.039 1.00 20.23 O ATOM 0 H GLU A 136 12.067 -0.109 12.565 1.00 12.53 H new ATOM 0 HA GLU A 136 9.920 -0.089 13.137 1.00 2.10 H new ATOM 0 HB2 GLU A 136 9.835 -2.408 12.419 1.00 50.35 H new ATOM 0 HB3 GLU A 136 10.467 -2.963 13.956 1.00 50.35 H new ATOM 0 HG2 GLU A 136 8.127 -3.479 13.826 1.00 24.41 H new ATOM 0 HG3 GLU A 136 8.383 -2.278 15.076 1.00 24.41 H new ATOM 2152 N HIS A 137 9.218 0.384 15.430 1.00 65.23 N ATOM 2153 CA HIS A 137 8.865 0.873 16.755 1.00 5.42 C ATOM 2154 C HIS A 137 8.286 -0.261 17.626 1.00 65.00 C ATOM 2155 O HIS A 137 8.545 -0.312 18.828 1.00 43.23 O ATOM 2156 CB HIS A 137 7.865 2.035 16.609 1.00 23.12 C ATOM 2157 CG HIS A 137 7.488 2.711 17.895 1.00 41.31 C ATOM 2158 ND1 HIS A 137 8.273 3.661 18.501 1.00 11.52 N ATOM 2159 CD2 HIS A 137 6.411 2.545 18.698 1.00 31.35 C ATOM 2160 CE1 HIS A 137 7.700 4.044 19.627 1.00 12.23 C ATOM 2161 NE2 HIS A 137 6.570 3.384 19.767 1.00 24.41 N ATOM 0 H HIS A 137 8.556 0.655 14.703 1.00 65.23 H new ATOM 0 HA HIS A 137 9.761 1.235 17.259 1.00 5.42 H new ATOM 0 HB2 HIS A 137 8.291 2.779 15.936 1.00 23.12 H new ATOM 0 HB3 HIS A 137 6.959 1.658 16.135 1.00 23.12 H new ATOM 0 HD1 HIS A 137 9.158 4.015 18.139 1.00 11.52 H new ATOM 0 HD2 HIS A 137 5.581 1.875 18.527 1.00 31.35 H new ATOM 0 HE1 HIS A 137 8.093 4.776 20.317 1.00 12.23 H new ATOM 2170 N HIS A 138 7.512 -1.154 16.996 1.00 43.43 N ATOM 2171 CA HIS A 138 6.889 -2.307 17.671 1.00 75.21 C ATOM 2172 C HIS A 138 7.960 -3.326 18.094 1.00 2.15 C ATOM 2173 O HIS A 138 7.840 -3.973 19.141 1.00 23.11 O ATOM 2174 CB HIS A 138 5.849 -2.951 16.722 1.00 24.22 C ATOM 2175 CG HIS A 138 5.068 -4.109 17.294 1.00 12.03 C ATOM 2176 ND1 HIS A 138 3.969 -3.953 18.108 1.00 63.14 N ATOM 2177 CD2 HIS A 138 5.233 -5.445 17.146 1.00 31.34 C ATOM 2178 CE1 HIS A 138 3.494 -5.141 18.439 1.00 60.20 C ATOM 2179 NE2 HIS A 138 4.242 -6.064 17.868 1.00 63.14 N ATOM 0 H HIS A 138 7.298 -1.100 16.000 1.00 43.43 H new ATOM 0 HA HIS A 138 6.381 -1.970 18.575 1.00 75.21 H new ATOM 0 HB2 HIS A 138 5.144 -2.181 16.409 1.00 24.22 H new ATOM 0 HB3 HIS A 138 6.366 -3.293 15.825 1.00 24.22 H new ATOM 0 HD2 HIS A 138 6.002 -5.934 16.567 1.00 31.34 H new ATOM 0 HE1 HIS A 138 2.637 -5.325 19.071 1.00 60.20 H new ATOM 0 HE2 HIS A 138 4.107 -7.072 17.949 1.00 63.14 H new ATOM 2188 N HIS A 139 8.993 -3.446 17.268 1.00 1.32 N ATOM 2189 CA HIS A 139 10.127 -4.310 17.545 1.00 14.11 C ATOM 2190 C HIS A 139 11.012 -3.652 18.610 1.00 70.41 C ATOM 2191 O HIS A 139 11.475 -2.524 18.440 1.00 51.35 O ATOM 2192 CB HIS A 139 10.886 -4.556 16.238 1.00 15.45 C ATOM 2193 CG HIS A 139 11.959 -5.602 16.293 1.00 25.15 C ATOM 2194 ND1 HIS A 139 11.715 -6.934 16.061 1.00 71.12 N ATOM 2195 CD2 HIS A 139 13.291 -5.496 16.509 1.00 74.21 C ATOM 2196 CE1 HIS A 139 12.847 -7.606 16.138 1.00 65.22 C ATOM 2197 NE2 HIS A 139 13.822 -6.758 16.404 1.00 74.22 N ATOM 0 H HIS A 139 9.065 -2.943 16.384 1.00 1.32 H new ATOM 0 HA HIS A 139 9.801 -5.274 17.935 1.00 14.11 H new ATOM 0 HB2 HIS A 139 10.167 -4.841 15.470 1.00 15.45 H new ATOM 0 HB3 HIS A 139 11.337 -3.616 15.919 1.00 15.45 H new ATOM 0 HD2 HIS A 139 13.835 -4.588 16.724 1.00 74.21 H new ATOM 0 HE1 HIS A 139 12.957 -8.672 16.005 1.00 65.22 H new ATOM 0 HE2 HIS A 139 14.807 -7.000 16.514 1.00 74.22 H new ATOM 2206 N HIS A 140 11.228 -4.366 19.705 1.00 42.22 N ATOM 2207 CA HIS A 140 11.933 -3.809 20.859 1.00 44.00 C ATOM 2208 C HIS A 140 13.407 -4.214 20.891 1.00 61.33 C ATOM 2209 O HIS A 140 13.827 -5.086 21.650 1.00 4.03 O ATOM 2210 CB HIS A 140 11.213 -4.120 22.206 1.00 65.10 C ATOM 2211 CG HIS A 140 10.681 -5.528 22.376 1.00 41.25 C ATOM 2212 ND1 HIS A 140 11.406 -6.555 22.936 1.00 60.34 N ATOM 2213 CD2 HIS A 140 9.478 -6.058 22.054 1.00 54.24 C ATOM 2214 CE1 HIS A 140 10.680 -7.655 22.943 1.00 21.11 C ATOM 2215 NE2 HIS A 140 9.504 -7.386 22.413 1.00 42.05 N ATOM 0 H HIS A 140 10.926 -5.333 19.822 1.00 42.22 H new ATOM 0 HA HIS A 140 11.907 -2.726 20.736 1.00 44.00 H new ATOM 0 HB2 HIS A 140 11.909 -3.917 23.020 1.00 65.10 H new ATOM 0 HB3 HIS A 140 10.381 -3.425 22.317 1.00 65.10 H new ATOM 0 HD2 HIS A 140 8.650 -5.535 21.599 1.00 54.24 H new ATOM 0 HE1 HIS A 140 10.996 -8.616 23.320 1.00 21.11 H new ATOM 0 HE2 HIS A 140 8.741 -8.051 22.290 1.00 42.05 H new ATOM 2224 N HIS A 141 14.173 -3.597 20.004 1.00 12.55 N ATOM 2225 CA HIS A 141 15.631 -3.608 20.077 1.00 62.42 C ATOM 2226 C HIS A 141 16.073 -2.277 20.706 1.00 2.24 C ATOM 2227 O HIS A 141 17.139 -2.173 21.318 1.00 31.11 O ATOM 2228 CB HIS A 141 16.222 -3.804 18.663 1.00 13.34 C ATOM 2229 CG HIS A 141 17.712 -4.008 18.581 1.00 42.44 C ATOM 2230 ND1 HIS A 141 18.285 -5.244 18.406 1.00 52.34 N ATOM 2231 CD2 HIS A 141 18.739 -3.121 18.591 1.00 53.22 C ATOM 2232 CE1 HIS A 141 19.597 -5.115 18.312 1.00 74.43 C ATOM 2233 NE2 HIS A 141 19.899 -3.839 18.420 1.00 12.31 N ATOM 0 H HIS A 141 13.803 -3.073 19.211 1.00 12.55 H new ATOM 0 HA HIS A 141 15.994 -4.432 20.691 1.00 62.42 H new ATOM 0 HB2 HIS A 141 15.734 -4.664 18.205 1.00 13.34 H new ATOM 0 HB3 HIS A 141 15.963 -2.933 18.061 1.00 13.34 H new ATOM 0 HD2 HIS A 141 18.660 -2.051 18.711 1.00 53.22 H new ATOM 0 HE1 HIS A 141 20.302 -5.921 18.170 1.00 74.43 H new ATOM 0 HE2 HIS A 141 20.840 -3.447 18.383 1.00 12.31 H new ATOM 2242 N HIS A 142 15.210 -1.272 20.554 1.00 32.14 N ATOM 2243 CA HIS A 142 15.442 0.060 21.102 1.00 52.12 C ATOM 2244 C HIS A 142 14.355 0.421 22.122 1.00 34.11 C ATOM 2245 O HIS A 142 13.230 -0.086 22.041 1.00 23.41 O ATOM 2246 CB HIS A 142 15.533 1.124 19.971 1.00 42.20 C ATOM 2247 CG HIS A 142 14.276 1.374 19.152 1.00 44.21 C ATOM 2248 ND1 HIS A 142 13.796 2.639 18.888 1.00 74.21 N ATOM 2249 CD2 HIS A 142 13.431 0.524 18.519 1.00 42.41 C ATOM 2250 CE1 HIS A 142 12.712 2.552 18.135 1.00 44.53 C ATOM 2251 NE2 HIS A 142 12.472 1.281 17.896 1.00 11.24 N ATOM 0 H HIS A 142 14.330 -1.361 20.046 1.00 32.14 H new ATOM 0 HA HIS A 142 16.401 0.052 21.621 1.00 52.12 H new ATOM 0 HB2 HIS A 142 15.838 2.069 20.420 1.00 42.20 H new ATOM 0 HB3 HIS A 142 16.328 0.824 19.288 1.00 42.20 H new ATOM 0 HD2 HIS A 142 13.500 -0.554 18.507 1.00 42.41 H new ATOM 0 HE1 HIS A 142 12.124 3.384 17.777 1.00 44.53 H new ATOM 0 HE2 HIS A 142 11.699 0.918 17.338 1.00 11.24 H new TER 2260 HIS A 142