USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 776 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 69 THR OG1 : rot 160:sc= 0.943 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 152:sc= 1.07 (180deg=-0.571) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.561 K(o=1.8,f=-0.36) USER MOD Set 2.2: A 74 TYR OH : rot 101:sc= 1.21 USER MOD Set 3.1: A 19 THR OG1 : rot 92:sc= 1.23 USER MOD Set 3.2: A 26 HIS :FLIP no HD1:sc= -1.07 F(o=0.21,f=1.2) USER MOD Set 3.3: A 31 ASN : amide:sc= 1.05 K(o=1.2,f=-3.1) USER MOD Set 4.1: A 1 GLY N :NH3+ -178:sc= 0.852 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 71:sc= 1.96 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0248) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 1.07 (180deg=-0.549!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -42:sc= 0.391 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.332 K(o=0.33,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.325 K(o=0.33,f=-1.2) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 40 SER OG : rot 95:sc= 1.75 USER MOD Single : A 42 GLN : amide:sc= 0.634 K(o=0.63,f=-5!) USER MOD Single : A 46 TYR OH : rot -163:sc= 0.665 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 165:sc=-0.00196 USER MOD Single : A 49 THR OG1 : rot -100:sc= 0.117 USER MOD Single : A 52 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.3) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 0.664 (180deg=-0.564!) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.14) USER MOD Single : A 56 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 64 MET CE :methyl 173:sc= -1.05 (180deg=-1.32) USER MOD Single : A 65 SER OG : rot -53:sc= 0.13 USER MOD Single : A 67 TYR OH : rot -106:sc= 0.797 USER MOD Single : A 70 ASN : amide:sc= 0.16 K(o=0.16,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0.963) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.505 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 157:sc= -0.0691 (180deg=-0.928) USER MOD Single : A 87 LYS NZ :NH3+ -126:sc= 0.892 (180deg=-0.0144) USER MOD Single : A 89 LYS NZ :NH3+ 155:sc= -0.136 (180deg=-0.882) USER MOD Single : A 92 ASN : amide:sc= -0.389 K(o=-0.39,f=-2.4!) USER MOD Single : A 97 TYR OH : rot 142:sc= 1.64 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 1.32 (180deg=0.886!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -29:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.268 -9.625 -0.323 1.00 0.00 N ATOM 85 CA GLY A 1 -14.393 -9.079 -1.089 1.00 0.00 C ATOM 86 C GLY A 1 -14.306 -9.449 -2.567 1.00 0.00 C ATOM 87 O GLY A 1 -14.530 -10.601 -2.932 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.381 -9.381 0.682 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.246 -10.660 -0.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.378 -9.222 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.330 -9.453 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.410 -7.994 -0.986 1.00 0.00 H new ATOM 91 N SER A 2 -13.952 -8.499 -3.440 1.00 0.00 N ATOM 92 CA SER A 2 -13.589 -8.852 -4.820 1.00 0.00 C ATOM 93 C SER A 2 -12.479 -7.981 -5.416 1.00 0.00 C ATOM 94 O SER A 2 -12.233 -6.848 -4.999 1.00 0.00 O ATOM 95 CB SER A 2 -14.841 -8.875 -5.699 1.00 0.00 C ATOM 96 OG SER A 2 -14.567 -9.509 -6.932 1.00 0.00 O ATOM 0 H SER A 2 -13.909 -7.503 -3.225 1.00 0.00 H new ATOM 0 HA SER A 2 -13.159 -9.853 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.645 -9.400 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.188 -7.857 -5.876 1.00 0.00 H new ATOM 0 HG SER A 2 -15.378 -9.518 -7.483 1.00 0.00 H new ATOM 102 N ALA A 3 -11.799 -8.525 -6.430 1.00 0.00 N ATOM 103 CA ALA A 3 -10.598 -7.937 -7.020 1.00 0.00 C ATOM 104 C ALA A 3 -10.879 -6.721 -7.924 1.00 0.00 C ATOM 105 O ALA A 3 -10.093 -5.780 -7.943 1.00 0.00 O ATOM 106 CB ALA A 3 -9.835 -9.031 -7.774 1.00 0.00 C ATOM 0 H ALA A 3 -12.075 -9.403 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.988 -7.543 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.936 -8.606 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.556 -9.824 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.470 -9.442 -8.559 1.00 0.00 H new ATOM 112 N LYS A 4 -12.005 -6.682 -8.653 1.00 0.00 N ATOM 113 CA LYS A 4 -12.414 -5.473 -9.407 1.00 0.00 C ATOM 114 C LYS A 4 -13.159 -4.420 -8.574 1.00 0.00 C ATOM 115 O LYS A 4 -13.195 -3.251 -8.948 1.00 0.00 O ATOM 116 CB LYS A 4 -13.121 -5.858 -10.721 1.00 0.00 C ATOM 117 CG LYS A 4 -12.050 -6.089 -11.803 1.00 0.00 C ATOM 118 CD LYS A 4 -12.609 -6.654 -13.119 1.00 0.00 C ATOM 119 CE LYS A 4 -11.613 -6.497 -14.282 1.00 0.00 C ATOM 120 NZ LYS A 4 -10.286 -7.101 -13.993 1.00 0.00 N ATOM 0 H LYS A 4 -12.650 -7.467 -8.740 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.496 -4.952 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.718 -6.759 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.806 -5.067 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.546 -5.145 -12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.297 -6.775 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.850 -7.709 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.539 -6.143 -13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.030 -6.960 -15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.484 -5.437 -14.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.691 -7.056 -14.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.826 -6.577 -13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.411 -8.094 -13.710 1.00 0.00 H new ATOM 134 N LYS A 5 -13.641 -4.824 -7.400 1.00 0.00 N ATOM 135 CA LYS A 5 -14.160 -3.965 -6.322 1.00 0.00 C ATOM 136 C LYS A 5 -13.055 -3.048 -5.788 1.00 0.00 C ATOM 137 O LYS A 5 -13.142 -1.832 -5.933 1.00 0.00 O ATOM 138 CB LYS A 5 -14.740 -4.864 -5.219 1.00 0.00 C ATOM 139 CG LYS A 5 -16.267 -4.872 -5.096 1.00 0.00 C ATOM 140 CD LYS A 5 -16.806 -3.738 -4.203 1.00 0.00 C ATOM 141 CE LYS A 5 -17.951 -4.252 -3.317 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.440 -5.147 -2.248 1.00 0.00 N ATOM 0 H LYS A 5 -13.685 -5.813 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.951 -3.318 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.404 -5.886 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.320 -4.551 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.706 -4.784 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.588 -5.831 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.003 -3.345 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.159 -2.915 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.475 -3.408 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.676 -4.789 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.214 -5.748 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.681 -5.746 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.067 -4.574 -1.464 1.00 0.00 H new ATOM 156 N GLY A 6 -11.978 -3.624 -5.250 1.00 0.00 N ATOM 157 CA GLY A 6 -10.831 -2.831 -4.796 1.00 0.00 C ATOM 158 C GLY A 6 -10.127 -2.070 -5.923 1.00 0.00 C ATOM 159 O GLY A 6 -9.652 -0.961 -5.686 1.00 0.00 O ATOM 0 H GLY A 6 -11.875 -4.630 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.168 -2.119 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.112 -3.492 -4.311 1.00 0.00 H new ATOM 163 N ALA A 7 -10.122 -2.605 -7.152 1.00 0.00 N ATOM 164 CA ALA A 7 -9.575 -1.899 -8.310 1.00 0.00 C ATOM 165 C ALA A 7 -10.268 -0.549 -8.544 1.00 0.00 C ATOM 166 O ALA A 7 -9.591 0.469 -8.672 1.00 0.00 O ATOM 167 CB ALA A 7 -9.672 -2.776 -9.565 1.00 0.00 C ATOM 0 H ALA A 7 -10.494 -3.530 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.526 -1.692 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.261 -2.237 -10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.108 -3.696 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.717 -3.020 -9.759 1.00 0.00 H new ATOM 173 N THR A 8 -11.607 -0.523 -8.613 1.00 0.00 N ATOM 174 CA THR A 8 -12.350 0.725 -8.874 1.00 0.00 C ATOM 175 C THR A 8 -12.198 1.759 -7.747 1.00 0.00 C ATOM 176 O THR A 8 -12.174 2.959 -8.020 1.00 0.00 O ATOM 177 CB THR A 8 -13.821 0.441 -9.238 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.276 1.420 -10.141 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.820 0.407 -8.083 1.00 0.00 C ATOM 0 H THR A 8 -12.198 -1.346 -8.493 1.00 0.00 H new ATOM 0 HA THR A 8 -11.894 1.188 -9.749 1.00 0.00 H new ATOM 0 HB THR A 8 -13.794 -0.568 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.211 1.240 -10.375 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.817 0.199 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.534 -0.373 -7.378 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.822 1.372 -7.575 1.00 0.00 H new ATOM 187 N LEU A 9 -11.994 1.304 -6.501 1.00 0.00 N ATOM 188 CA LEU A 9 -11.644 2.143 -5.351 1.00 0.00 C ATOM 189 C LEU A 9 -10.250 2.740 -5.553 1.00 0.00 C ATOM 190 O LEU A 9 -10.100 3.950 -5.717 1.00 0.00 O ATOM 191 CB LEU A 9 -11.704 1.321 -4.048 1.00 0.00 C ATOM 192 CG LEU A 9 -13.137 1.099 -3.555 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.184 -0.080 -2.579 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.683 2.339 -2.837 1.00 0.00 C ATOM 0 H LEU A 9 -12.071 0.315 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.365 2.957 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.226 0.355 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.133 1.833 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.751 0.894 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.208 -0.228 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.836 -0.982 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.541 0.130 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.702 2.146 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.054 2.568 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.682 3.186 -3.523 1.00 0.00 H new ATOM 206 N PHE A 10 -9.228 1.882 -5.609 1.00 0.00 N ATOM 207 CA PHE A 10 -7.822 2.231 -5.862 1.00 0.00 C ATOM 208 C PHE A 10 -7.660 3.253 -6.999 1.00 0.00 C ATOM 209 O PHE A 10 -6.950 4.252 -6.841 1.00 0.00 O ATOM 210 CB PHE A 10 -7.041 0.942 -6.163 1.00 0.00 C ATOM 211 CG PHE A 10 -5.629 1.168 -6.671 1.00 0.00 C ATOM 212 CD1 PHE A 10 -5.383 1.295 -8.054 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.557 1.252 -5.768 1.00 0.00 C ATOM 214 CE1 PHE A 10 -4.084 1.554 -8.520 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.263 1.546 -6.235 1.00 0.00 C ATOM 216 CZ PHE A 10 -3.024 1.705 -7.607 1.00 0.00 C ATOM 0 H PHE A 10 -9.361 0.880 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.422 2.712 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.996 0.339 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.592 0.362 -6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.197 1.193 -8.757 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.726 1.091 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.898 1.637 -9.581 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.449 1.650 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.032 1.942 -7.961 1.00 0.00 H new ATOM 226 N LYS A 11 -8.374 3.031 -8.113 1.00 0.00 N ATOM 227 CA LYS A 11 -8.399 3.835 -9.351 1.00 0.00 C ATOM 228 C LYS A 11 -8.795 5.308 -9.151 1.00 0.00 C ATOM 229 O LYS A 11 -8.607 6.113 -10.058 1.00 0.00 O ATOM 230 CB LYS A 11 -9.292 3.077 -10.359 1.00 0.00 C ATOM 231 CG LYS A 11 -9.528 3.742 -11.726 1.00 0.00 C ATOM 232 CD LYS A 11 -10.817 4.582 -11.744 1.00 0.00 C ATOM 233 CE LYS A 11 -10.853 5.455 -13.001 1.00 0.00 C ATOM 234 NZ LYS A 11 -12.008 6.387 -12.973 1.00 0.00 N ATOM 0 H LYS A 11 -8.996 2.226 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.386 3.931 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.849 2.096 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.263 2.910 -9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.677 4.378 -11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.585 2.974 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.688 3.927 -11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.865 5.209 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.926 6.023 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.915 4.821 -13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.008 6.966 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.892 5.842 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.934 7.006 -12.141 1.00 0.00 H new ATOM 248 N THR A 12 -9.319 5.675 -7.979 1.00 0.00 N ATOM 249 CA THR A 12 -9.614 7.066 -7.590 1.00 0.00 C ATOM 250 C THR A 12 -9.277 7.406 -6.128 1.00 0.00 C ATOM 251 O THR A 12 -9.697 8.451 -5.632 1.00 0.00 O ATOM 252 CB THR A 12 -11.065 7.400 -7.974 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.266 8.788 -7.966 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.124 6.746 -7.087 1.00 0.00 C ATOM 0 H THR A 12 -9.558 5.000 -7.253 1.00 0.00 H new ATOM 0 HA THR A 12 -8.941 7.715 -8.151 1.00 0.00 H new ATOM 0 HB THR A 12 -11.194 6.987 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.819 9.179 -7.187 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.117 7.037 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.025 5.662 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.987 7.072 -6.056 1.00 0.00 H new ATOM 262 N ARG A 13 -8.529 6.529 -5.434 1.00 0.00 N ATOM 263 CA ARG A 13 -8.182 6.651 -4.001 1.00 0.00 C ATOM 264 C ARG A 13 -6.679 6.540 -3.703 1.00 0.00 C ATOM 265 O ARG A 13 -6.218 7.125 -2.733 1.00 0.00 O ATOM 266 CB ARG A 13 -8.948 5.589 -3.183 1.00 0.00 C ATOM 267 CG ARG A 13 -10.486 5.673 -3.246 1.00 0.00 C ATOM 268 CD ARG A 13 -11.094 6.715 -2.296 1.00 0.00 C ATOM 269 NE ARG A 13 -11.957 6.077 -1.278 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.473 6.631 -0.199 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.397 7.917 0.016 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.086 5.902 0.694 1.00 0.00 N ATOM 0 H ARG A 13 -8.137 5.691 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.478 7.658 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.643 4.602 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.641 5.670 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.785 5.909 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.903 4.694 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.296 7.270 -1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.677 7.436 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.179 5.093 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.929 8.520 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.806 8.318 0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.169 4.894 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.482 6.340 1.526 1.00 0.00 H new ATOM 286 N CYS A 14 -5.924 5.815 -4.535 1.00 0.00 N ATOM 287 CA CYS A 14 -4.483 5.548 -4.353 1.00 0.00 C ATOM 288 C CYS A 14 -3.651 5.799 -5.627 1.00 0.00 C ATOM 289 O CYS A 14 -2.497 6.223 -5.541 1.00 0.00 O ATOM 290 CB CYS A 14 -4.269 4.085 -3.958 1.00 0.00 C ATOM 291 SG CYS A 14 -5.310 3.355 -2.652 1.00 0.00 S ATOM 0 H CYS A 14 -6.303 5.384 -5.378 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.150 6.236 -3.576 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.397 3.481 -4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.230 3.978 -3.647 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.972 2.113 -2.471 1.00 0.00 H new ATOM 296 N LEU A 15 -4.235 5.575 -6.816 1.00 0.00 N ATOM 297 CA LEU A 15 -3.607 5.741 -8.138 1.00 0.00 C ATOM 298 C LEU A 15 -2.910 7.103 -8.328 1.00 0.00 C ATOM 299 O LEU A 15 -1.856 7.170 -8.948 1.00 0.00 O ATOM 300 CB LEU A 15 -4.689 5.485 -9.204 1.00 0.00 C ATOM 301 CG LEU A 15 -4.191 5.601 -10.657 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.211 4.496 -11.042 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.380 5.527 -11.616 1.00 0.00 C ATOM 0 H LEU A 15 -5.202 5.259 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.797 5.018 -8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.102 4.488 -9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.504 6.193 -9.054 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.673 6.558 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.897 4.633 -12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.339 4.539 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.696 3.526 -10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.025 5.609 -12.643 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.894 4.575 -11.485 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.070 6.344 -11.404 1.00 0.00 H new ATOM 315 N GLN A 16 -3.439 8.168 -7.718 1.00 0.00 N ATOM 316 CA GLN A 16 -2.833 9.508 -7.681 1.00 0.00 C ATOM 317 C GLN A 16 -1.376 9.574 -7.165 1.00 0.00 C ATOM 318 O GLN A 16 -0.695 10.567 -7.416 1.00 0.00 O ATOM 319 CB GLN A 16 -3.745 10.444 -6.873 1.00 0.00 C ATOM 320 CG GLN A 16 -3.876 10.031 -5.399 1.00 0.00 C ATOM 321 CD GLN A 16 -4.757 11.010 -4.634 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.955 11.112 -4.837 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.198 11.760 -3.713 1.00 0.00 N ATOM 0 H GLN A 16 -4.328 8.123 -7.220 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.754 9.830 -8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.353 11.459 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.735 10.460 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.299 9.029 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.888 9.990 -4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.197 11.685 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.765 12.418 -3.178 1.00 0.00 H new ATOM 332 N CYS A 17 -0.889 8.541 -6.463 1.00 0.00 N ATOM 333 CA CYS A 17 0.498 8.440 -5.981 1.00 0.00 C ATOM 334 C CYS A 17 1.230 7.143 -6.357 1.00 0.00 C ATOM 335 O CYS A 17 2.461 7.123 -6.279 1.00 0.00 O ATOM 336 CB CYS A 17 0.556 8.585 -4.458 1.00 0.00 C ATOM 337 SG CYS A 17 0.085 10.208 -3.781 1.00 0.00 S ATOM 0 H CYS A 17 -1.460 7.735 -6.208 1.00 0.00 H new ATOM 0 HA CYS A 17 1.011 9.257 -6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.095 7.829 -4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.572 8.360 -4.132 1.00 0.00 H new ATOM 0 HG CYS A 17 0.180 10.182 -2.485 1.00 0.00 H new ATOM 342 N HIS A 18 0.521 6.068 -6.741 1.00 0.00 N ATOM 343 CA HIS A 18 1.074 4.704 -6.880 1.00 0.00 C ATOM 344 C HIS A 18 0.670 3.951 -8.158 1.00 0.00 C ATOM 345 O HIS A 18 -0.433 4.109 -8.674 1.00 0.00 O ATOM 346 CB HIS A 18 0.587 3.847 -5.703 1.00 0.00 C ATOM 347 CG HIS A 18 1.306 4.082 -4.407 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.608 3.738 -4.128 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.729 4.511 -3.245 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.807 3.952 -2.819 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.686 4.416 -2.236 1.00 0.00 N ATOM 0 H HIS A 18 -0.472 6.121 -6.969 1.00 0.00 H new ATOM 0 HA HIS A 18 2.154 4.846 -6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.476 4.036 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.689 2.796 -5.972 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.296 3.385 -4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.286 4.861 -3.129 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.739 3.776 -2.303 1.00 0.00 H new ATOM 359 N THR A 19 1.518 3.001 -8.561 1.00 0.00 N ATOM 360 CA THR A 19 1.354 2.086 -9.706 1.00 0.00 C ATOM 361 C THR A 19 1.400 0.618 -9.256 1.00 0.00 C ATOM 362 O THR A 19 2.290 0.212 -8.516 1.00 0.00 O ATOM 363 CB THR A 19 2.404 2.379 -10.782 1.00 0.00 C ATOM 364 OG1 THR A 19 3.691 2.539 -10.224 1.00 0.00 O ATOM 365 CG2 THR A 19 2.095 3.686 -11.511 1.00 0.00 C ATOM 0 H THR A 19 2.395 2.836 -8.068 1.00 0.00 H new ATOM 0 HA THR A 19 0.370 2.257 -10.143 1.00 0.00 H new ATOM 0 HB THR A 19 2.378 1.527 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.157 1.677 -10.225 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.857 3.869 -12.269 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.118 3.614 -11.988 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.090 4.509 -10.796 1.00 0.00 H new ATOM 373 N VAL A 20 0.406 -0.192 -9.634 1.00 0.00 N ATOM 374 CA VAL A 20 0.280 -1.607 -9.203 1.00 0.00 C ATOM 375 C VAL A 20 1.076 -2.592 -10.081 1.00 0.00 C ATOM 376 O VAL A 20 1.093 -3.797 -9.849 1.00 0.00 O ATOM 377 CB VAL A 20 -1.218 -1.975 -9.110 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.810 -2.538 -10.410 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.459 -2.916 -7.929 1.00 0.00 C ATOM 0 H VAL A 20 -0.346 0.109 -10.254 1.00 0.00 H new ATOM 0 HA VAL A 20 0.734 -1.701 -8.216 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.753 -1.041 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.864 -2.770 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.712 -1.799 -11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.275 -3.445 -10.690 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.518 -3.168 -7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.876 -3.827 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.155 -2.425 -7.005 1.00 0.00 H new ATOM 389 N GLU A 21 1.710 -2.066 -11.122 1.00 0.00 N ATOM 390 CA GLU A 21 2.262 -2.785 -12.271 1.00 0.00 C ATOM 391 C GLU A 21 3.688 -3.317 -12.041 1.00 0.00 C ATOM 392 O GLU A 21 4.490 -2.762 -11.285 1.00 0.00 O ATOM 393 CB GLU A 21 2.315 -1.851 -13.490 1.00 0.00 C ATOM 394 CG GLU A 21 1.109 -0.910 -13.679 1.00 0.00 C ATOM 395 CD GLU A 21 1.429 0.172 -14.712 1.00 0.00 C ATOM 396 OE1 GLU A 21 2.372 0.949 -14.436 1.00 0.00 O ATOM 397 OE2 GLU A 21 0.734 0.214 -15.748 1.00 0.00 O ATOM 0 H GLU A 21 1.864 -1.060 -11.194 1.00 0.00 H new ATOM 0 HA GLU A 21 1.602 -3.637 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.216 -1.242 -13.416 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.416 -2.463 -14.386 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.240 -1.483 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.849 -0.447 -12.727 1.00 0.00 H new ATOM 440 N PRO A 25 5.856 3.024 -13.542 1.00 0.00 N ATOM 441 CA PRO A 25 6.604 4.253 -13.302 1.00 0.00 C ATOM 442 C PRO A 25 6.412 4.800 -11.878 1.00 0.00 C ATOM 443 O PRO A 25 5.498 5.586 -11.620 1.00 0.00 O ATOM 444 CB PRO A 25 6.137 5.226 -14.392 1.00 0.00 C ATOM 445 CG PRO A 25 4.707 4.774 -14.685 1.00 0.00 C ATOM 446 CD PRO A 25 4.790 3.260 -14.508 1.00 0.00 C ATOM 0 HA PRO A 25 7.679 4.085 -13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.169 6.260 -14.048 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.767 5.166 -15.280 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.991 5.223 -13.997 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.395 5.047 -15.693 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.843 2.857 -14.149 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.007 2.768 -15.456 1.00 0.00 H new ATOM 454 N HIS A 26 7.352 4.455 -10.986 1.00 0.00 N ATOM 455 CA HIS A 26 7.516 5.043 -9.650 1.00 0.00 C ATOM 456 C HIS A 26 7.263 6.563 -9.642 1.00 0.00 C ATOM 457 O HIS A 26 7.830 7.306 -10.454 1.00 0.00 O ATOM 458 CB HIS A 26 8.939 4.779 -9.144 1.00 0.00 C ATOM 459 CG HIS A 26 9.303 3.352 -8.821 1.00 0.00 C ATOM 460 ND1 HIS A 26 10.559 2.927 -8.483 1.00 0.00 N flip ATOM 461 CD2 HIS A 26 8.454 2.278 -8.685 1.00 0.00 C flip ATOM 462 CE1 HIS A 26 10.462 1.603 -8.057 1.00 0.00 C flip ATOM 463 NE2 HIS A 26 9.186 1.249 -8.221 1.00 0.00 N flip ATOM 0 H HIS A 26 8.044 3.732 -11.183 1.00 0.00 H new ATOM 0 HA HIS A 26 6.777 4.574 -9.000 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.638 5.144 -9.897 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.095 5.378 -8.247 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.398 2.264 -8.909 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.261 0.987 -7.671 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.814 0.320 -8.021 1.00 0.00 H new ATOM 471 N LYS A 27 6.385 7.024 -8.747 1.00 0.00 N ATOM 472 CA LYS A 27 5.841 8.389 -8.735 1.00 0.00 C ATOM 473 C LYS A 27 5.996 9.060 -7.362 1.00 0.00 C ATOM 474 O LYS A 27 7.111 9.142 -6.850 1.00 0.00 O ATOM 475 CB LYS A 27 4.407 8.324 -9.317 1.00 0.00 C ATOM 476 CG LYS A 27 3.973 9.624 -10.015 1.00 0.00 C ATOM 477 CD LYS A 27 4.293 9.643 -11.522 1.00 0.00 C ATOM 478 CE LYS A 27 5.791 9.486 -11.823 1.00 0.00 C ATOM 479 NZ LYS A 27 6.086 9.562 -13.275 1.00 0.00 N ATOM 0 H LYS A 27 6.022 6.445 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 27 6.412 9.060 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.349 7.501 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.706 8.100 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.901 9.762 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.468 10.468 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.744 8.840 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.939 10.581 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.348 10.264 -11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.139 8.529 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.109 9.451 -13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.577 8.804 -13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.779 10.485 -13.644 1.00 0.00 H new ATOM 493 N VAL A 28 4.909 9.576 -6.787 1.00 0.00 N ATOM 494 CA VAL A 28 4.869 10.149 -5.430 1.00 0.00 C ATOM 495 C VAL A 28 5.169 9.090 -4.357 1.00 0.00 C ATOM 496 O VAL A 28 5.755 9.419 -3.327 1.00 0.00 O ATOM 497 CB VAL A 28 3.509 10.819 -5.165 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.535 11.670 -3.891 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.067 11.730 -6.321 1.00 0.00 C ATOM 0 H VAL A 28 4.006 9.611 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 28 5.650 10.907 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 28 2.802 9.997 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.557 12.126 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.778 11.038 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.288 12.451 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.102 12.178 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.806 12.518 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.979 11.142 -7.234 1.00 0.00 H new ATOM 509 N GLY A 29 4.859 7.821 -4.654 1.00 0.00 N ATOM 510 CA GLY A 29 5.397 6.622 -4.015 1.00 0.00 C ATOM 511 C GLY A 29 5.830 5.542 -5.030 1.00 0.00 C ATOM 512 O GLY A 29 5.756 5.758 -6.244 1.00 0.00 O ATOM 0 H GLY A 29 4.188 7.596 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.253 6.898 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.644 6.204 -3.347 1.00 0.00 H new ATOM 516 N PRO A 30 6.305 4.378 -4.541 1.00 0.00 N ATOM 517 CA PRO A 30 6.820 3.256 -5.345 1.00 0.00 C ATOM 518 C PRO A 30 5.748 2.460 -6.131 1.00 0.00 C ATOM 519 O PRO A 30 4.562 2.791 -6.125 1.00 0.00 O ATOM 520 CB PRO A 30 7.527 2.360 -4.318 1.00 0.00 C ATOM 521 CG PRO A 30 6.746 2.604 -3.032 1.00 0.00 C ATOM 522 CD PRO A 30 6.471 4.097 -3.121 1.00 0.00 C ATOM 0 HA PRO A 30 7.470 3.631 -6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.497 1.311 -4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.577 2.629 -4.207 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.827 2.019 -2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.325 2.346 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.575 4.365 -2.561 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.295 4.674 -2.700 1.00 0.00 H new ATOM 530 N ASN A 31 6.161 1.369 -6.794 1.00 0.00 N ATOM 531 CA ASN A 31 5.252 0.325 -7.252 1.00 0.00 C ATOM 532 C ASN A 31 4.624 -0.429 -6.069 1.00 0.00 C ATOM 533 O ASN A 31 5.223 -0.533 -5.004 1.00 0.00 O ATOM 534 CB ASN A 31 6.026 -0.666 -8.145 1.00 0.00 C ATOM 535 CG ASN A 31 6.193 -0.167 -9.566 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.302 0.442 -10.127 1.00 0.00 O ATOM 537 ND2 ASN A 31 7.340 -0.341 -10.180 1.00 0.00 N ATOM 0 H ASN A 31 7.139 1.192 -7.025 1.00 0.00 H new ATOM 0 HA ASN A 31 4.447 0.793 -7.819 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.009 -0.848 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.502 -1.621 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.478 0.033 -11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.094 -0.850 -9.718 1.00 0.00 H new ATOM 544 N LEU A 32 3.474 -1.059 -6.306 1.00 0.00 N ATOM 545 CA LEU A 32 2.728 -1.918 -5.394 1.00 0.00 C ATOM 546 C LEU A 32 2.564 -3.313 -6.026 1.00 0.00 C ATOM 547 O LEU A 32 1.490 -3.902 -6.029 1.00 0.00 O ATOM 548 CB LEU A 32 1.390 -1.241 -5.047 1.00 0.00 C ATOM 549 CG LEU A 32 1.480 0.146 -4.384 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.065 0.627 -4.057 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.270 0.137 -3.077 1.00 0.00 C ATOM 0 H LEU A 32 3.007 -0.974 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 32 3.265 -2.061 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.807 -1.145 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.834 -1.902 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 32 1.994 0.799 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.114 1.609 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.518 0.693 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.411 -0.078 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.296 1.144 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.791 -0.537 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.288 -0.203 -3.269 1.00 0.00 H new ATOM 563 N HIS A 33 3.648 -3.831 -6.600 1.00 0.00 N ATOM 564 CA HIS A 33 3.745 -5.110 -7.305 1.00 0.00 C ATOM 565 C HIS A 33 4.792 -5.998 -6.632 1.00 0.00 C ATOM 566 O HIS A 33 5.967 -5.649 -6.581 1.00 0.00 O ATOM 567 CB HIS A 33 4.095 -4.859 -8.773 1.00 0.00 C ATOM 568 CG HIS A 33 3.768 -6.071 -9.594 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.518 -6.386 -10.064 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.592 -7.133 -9.843 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.579 -7.618 -10.595 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.834 -8.098 -10.511 1.00 0.00 N ATOM 0 H HIS A 33 4.540 -3.337 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 33 2.786 -5.627 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.541 -3.997 -9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.155 -4.621 -8.867 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.691 -5.791 -10.018 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.635 -7.211 -9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.742 -8.147 -11.027 1.00 0.00 H new ATOM 580 N GLY A 34 4.371 -7.127 -6.059 1.00 0.00 N ATOM 581 CA GLY A 34 5.239 -8.047 -5.310 1.00 0.00 C ATOM 582 C GLY A 34 5.635 -7.552 -3.913 1.00 0.00 C ATOM 583 O GLY A 34 6.593 -8.064 -3.334 1.00 0.00 O ATOM 0 H GLY A 34 3.400 -7.436 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.731 -9.006 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.145 -8.224 -5.889 1.00 0.00 H new ATOM 587 N ILE A 35 4.935 -6.548 -3.368 1.00 0.00 N ATOM 588 CA ILE A 35 5.188 -6.026 -2.016 1.00 0.00 C ATOM 589 C ILE A 35 4.771 -6.991 -0.897 1.00 0.00 C ATOM 590 O ILE A 35 5.349 -6.921 0.182 1.00 0.00 O ATOM 591 CB ILE A 35 4.581 -4.622 -1.787 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.049 -4.572 -1.594 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.056 -3.634 -2.863 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.183 -5.117 -2.735 1.00 0.00 C ATOM 0 H ILE A 35 4.174 -6.072 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 35 6.272 -5.928 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 35 4.970 -4.311 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.804 -5.127 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.764 -3.535 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.614 -2.655 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.143 -3.554 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.749 -3.991 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.130 -5.022 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.381 -4.550 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.421 -6.167 -2.903 1.00 0.00 H new ATOM 606 N PHE A 36 3.795 -7.880 -1.124 1.00 0.00 N ATOM 607 CA PHE A 36 3.364 -8.901 -0.166 1.00 0.00 C ATOM 608 C PHE A 36 4.454 -9.959 0.044 1.00 0.00 C ATOM 609 O PHE A 36 4.897 -10.619 -0.893 1.00 0.00 O ATOM 610 CB PHE A 36 2.031 -9.526 -0.609 1.00 0.00 C ATOM 611 CG PHE A 36 0.859 -8.574 -0.448 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.414 -8.236 0.843 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.242 -7.992 -1.570 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.628 -7.309 1.013 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.794 -7.057 -1.400 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.228 -6.711 -0.107 1.00 0.00 C ATOM 0 H PHE A 36 3.273 -7.908 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 36 3.199 -8.422 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.106 -9.831 -1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.845 -10.428 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.875 -8.691 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.565 -8.264 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.968 -7.056 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.258 -6.603 -2.264 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.020 -5.988 0.024 1.00 0.00 H new ATOM 626 N GLY A 37 4.935 -10.054 1.282 1.00 0.00 N ATOM 627 CA GLY A 37 6.115 -10.819 1.687 1.00 0.00 C ATOM 628 C GLY A 37 7.401 -9.986 1.671 1.00 0.00 C ATOM 629 O GLY A 37 8.436 -10.440 2.162 1.00 0.00 O ATOM 0 H GLY A 37 4.492 -9.578 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.958 -11.216 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.234 -11.674 1.021 1.00 0.00 H new ATOM 633 N ARG A 38 7.363 -8.758 1.136 1.00 0.00 N ATOM 634 CA ARG A 38 8.455 -7.781 1.222 1.00 0.00 C ATOM 635 C ARG A 38 8.427 -7.054 2.568 1.00 0.00 C ATOM 636 O ARG A 38 7.589 -7.340 3.412 1.00 0.00 O ATOM 637 CB ARG A 38 8.383 -6.824 0.011 1.00 0.00 C ATOM 638 CG ARG A 38 9.769 -6.472 -0.524 1.00 0.00 C ATOM 639 CD ARG A 38 10.297 -7.628 -1.372 1.00 0.00 C ATOM 640 NE ARG A 38 11.755 -7.788 -1.220 1.00 0.00 N ATOM 641 CZ ARG A 38 12.468 -8.861 -1.503 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.935 -9.888 -2.103 1.00 0.00 N ATOM 643 NH2 ARG A 38 13.726 -8.914 -1.168 1.00 0.00 N ATOM 0 H ARG A 38 6.555 -8.410 0.621 1.00 0.00 H new ATOM 0 HA ARG A 38 9.417 -8.291 1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.795 -7.286 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.864 -5.911 0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.719 -5.562 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.450 -6.273 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.796 -8.552 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.057 -7.451 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 38 12.266 -6.983 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.949 -9.872 -2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.504 -10.708 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.159 -8.126 -0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.278 -9.744 -1.387 1.00 0.00 H new ATOM 657 N HIS A 39 9.387 -6.161 2.777 1.00 0.00 N ATOM 658 CA HIS A 39 9.604 -5.423 4.019 1.00 0.00 C ATOM 659 C HIS A 39 9.555 -3.925 3.736 1.00 0.00 C ATOM 660 O HIS A 39 10.076 -3.520 2.699 1.00 0.00 O ATOM 661 CB HIS A 39 10.961 -5.826 4.605 1.00 0.00 C ATOM 662 CG HIS A 39 10.970 -7.249 5.095 1.00 0.00 C ATOM 663 ND1 HIS A 39 10.974 -8.391 4.320 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.866 -7.631 6.403 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.861 -9.443 5.146 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.804 -9.026 6.418 1.00 0.00 N ATOM 0 H HIS A 39 10.066 -5.920 2.055 1.00 0.00 H new ATOM 0 HA HIS A 39 8.824 -5.660 4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.734 -5.700 3.847 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.211 -5.158 5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.837 -6.978 7.262 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.822 -10.475 4.831 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.729 -9.618 7.245 1.00 0.00 H new ATOM 674 N SER A 40 8.955 -3.120 4.617 1.00 0.00 N ATOM 675 CA SER A 40 8.728 -1.691 4.371 1.00 0.00 C ATOM 676 C SER A 40 9.996 -0.950 3.942 1.00 0.00 C ATOM 677 O SER A 40 10.978 -0.885 4.689 1.00 0.00 O ATOM 678 CB SER A 40 8.010 -0.994 5.528 1.00 0.00 C ATOM 679 OG SER A 40 8.817 -0.911 6.684 1.00 0.00 O ATOM 0 H SER A 40 8.612 -3.440 5.523 1.00 0.00 H new ATOM 0 HA SER A 40 8.048 -1.646 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.716 0.009 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.094 -1.536 5.764 1.00 0.00 H new ATOM 0 HG SER A 40 9.270 -0.042 6.705 1.00 0.00 H new ATOM 685 N GLY A 41 9.981 -0.465 2.701 1.00 0.00 N ATOM 686 CA GLY A 41 11.117 0.195 2.058 1.00 0.00 C ATOM 687 C GLY A 41 11.918 -0.672 1.084 1.00 0.00 C ATOM 688 O GLY A 41 13.145 -0.645 1.152 1.00 0.00 O ATOM 0 H GLY A 41 9.159 -0.521 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.750 1.070 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.791 0.557 2.834 1.00 0.00 H new ATOM 692 N GLN A 42 11.265 -1.449 0.201 1.00 0.00 N ATOM 693 CA GLN A 42 11.913 -2.341 -0.782 1.00 0.00 C ATOM 694 C GLN A 42 11.237 -2.390 -2.174 1.00 0.00 C ATOM 695 O GLN A 42 10.805 -3.451 -2.631 1.00 0.00 O ATOM 696 CB GLN A 42 12.063 -3.760 -0.198 1.00 0.00 C ATOM 697 CG GLN A 42 13.056 -3.828 0.966 1.00 0.00 C ATOM 698 CD GLN A 42 13.593 -5.233 1.249 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.342 -6.221 0.558 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.389 -5.390 2.283 1.00 0.00 N ATOM 0 H GLN A 42 10.247 -1.476 0.149 1.00 0.00 H new ATOM 0 HA GLN A 42 12.894 -1.902 -0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.089 -4.111 0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.389 -4.438 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.895 -3.166 0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.571 -3.448 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.618 -4.592 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.778 -6.309 2.492 1.00 0.00 H new ATOM 741 N TYR A 46 14.254 2.782 -5.611 1.00 0.00 N ATOM 742 CA TYR A 46 13.584 3.970 -5.069 1.00 0.00 C ATOM 743 C TYR A 46 13.845 4.096 -3.563 1.00 0.00 C ATOM 744 O TYR A 46 13.616 3.149 -2.810 1.00 0.00 O ATOM 745 CB TYR A 46 12.091 3.843 -5.393 1.00 0.00 C ATOM 746 CG TYR A 46 11.238 5.075 -5.146 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.830 5.392 -3.840 1.00 0.00 C ATOM 748 CD2 TYR A 46 10.798 5.868 -6.227 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.931 6.454 -3.622 1.00 0.00 C ATOM 750 CE2 TYR A 46 9.893 6.929 -6.015 1.00 0.00 C ATOM 751 CZ TYR A 46 9.445 7.213 -4.708 1.00 0.00 C ATOM 752 OH TYR A 46 8.550 8.210 -4.484 1.00 0.00 O ATOM 0 HA TYR A 46 13.975 4.882 -5.521 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.992 3.564 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.683 3.021 -4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.205 4.822 -3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.157 5.661 -7.224 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.612 6.689 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.545 7.521 -6.849 1.00 0.00 H new ATOM 0 HH TYR A 46 8.118 8.458 -5.328 1.00 0.00 H new ATOM 762 N SER A 47 14.344 5.252 -3.111 1.00 0.00 N ATOM 763 CA SER A 47 14.597 5.504 -1.688 1.00 0.00 C ATOM 764 C SER A 47 13.365 6.029 -0.941 1.00 0.00 C ATOM 765 O SER A 47 12.528 6.770 -1.461 1.00 0.00 O ATOM 766 CB SER A 47 15.810 6.422 -1.490 1.00 0.00 C ATOM 767 OG SER A 47 15.615 7.716 -2.031 1.00 0.00 O ATOM 0 H SER A 47 14.583 6.036 -3.718 1.00 0.00 H new ATOM 0 HA SER A 47 14.830 4.537 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.025 6.507 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.684 5.967 -1.956 1.00 0.00 H new ATOM 0 HG SER A 47 16.416 8.259 -1.876 1.00 0.00 H new ATOM 773 N TYR A 48 13.278 5.634 0.326 1.00 0.00 N ATOM 774 CA TYR A 48 12.131 5.842 1.207 1.00 0.00 C ATOM 775 C TYR A 48 12.479 6.833 2.332 1.00 0.00 C ATOM 776 O TYR A 48 13.606 7.325 2.419 1.00 0.00 O ATOM 777 CB TYR A 48 11.720 4.468 1.751 1.00 0.00 C ATOM 778 CG TYR A 48 11.054 3.554 0.739 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.805 2.851 -0.225 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.664 3.347 0.815 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.170 1.933 -1.085 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.039 2.385 0.006 1.00 0.00 C ATOM 783 CZ TYR A 48 9.796 1.664 -0.941 1.00 0.00 C ATOM 784 OH TYR A 48 9.214 0.692 -1.682 1.00 0.00 O ATOM 0 H TYR A 48 14.040 5.137 0.788 1.00 0.00 H new ATOM 0 HA TYR A 48 11.296 6.285 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.606 3.968 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.040 4.614 2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.869 3.016 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.073 3.934 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.739 1.435 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.980 2.197 0.108 1.00 0.00 H new ATOM 0 HH TYR A 48 8.339 0.470 -1.301 1.00 0.00 H new ATOM 794 N THR A 49 11.520 7.165 3.195 1.00 0.00 N ATOM 795 CA THR A 49 11.786 7.871 4.450 1.00 0.00 C ATOM 796 C THR A 49 12.548 7.000 5.432 1.00 0.00 C ATOM 797 O THR A 49 12.367 5.782 5.493 1.00 0.00 O ATOM 798 CB THR A 49 10.510 8.351 5.156 1.00 0.00 C ATOM 799 OG1 THR A 49 9.634 7.293 5.455 1.00 0.00 O ATOM 800 CG2 THR A 49 9.785 9.393 4.322 1.00 0.00 C ATOM 0 H THR A 49 10.534 6.952 3.044 1.00 0.00 H new ATOM 0 HA THR A 49 12.381 8.737 4.159 1.00 0.00 H new ATOM 0 HB THR A 49 10.828 8.799 6.097 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.920 7.260 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.885 9.716 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.439 10.250 4.162 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.510 8.962 3.359 1.00 0.00 H new ATOM 808 N ASP A 50 13.343 7.658 6.273 1.00 0.00 N ATOM 809 CA ASP A 50 14.009 7.046 7.420 1.00 0.00 C ATOM 810 C ASP A 50 13.038 6.228 8.292 1.00 0.00 C ATOM 811 O ASP A 50 13.290 5.059 8.577 1.00 0.00 O ATOM 812 CB ASP A 50 14.670 8.177 8.209 1.00 0.00 C ATOM 813 CG ASP A 50 15.402 7.631 9.420 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.490 7.039 9.260 1.00 0.00 O ATOM 815 OD2 ASP A 50 14.916 7.799 10.556 1.00 0.00 O ATOM 0 H ASP A 50 13.546 8.653 6.174 1.00 0.00 H new ATOM 0 HA ASP A 50 14.757 6.329 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.369 8.714 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.914 8.894 8.528 1.00 0.00 H new ATOM 820 N ALA A 51 11.895 6.819 8.654 1.00 0.00 N ATOM 821 CA ALA A 51 10.846 6.173 9.439 1.00 0.00 C ATOM 822 C ALA A 51 10.316 4.879 8.797 1.00 0.00 C ATOM 823 O ALA A 51 10.158 3.879 9.497 1.00 0.00 O ATOM 824 CB ALA A 51 9.726 7.193 9.683 1.00 0.00 C ATOM 0 H ALA A 51 11.671 7.782 8.402 1.00 0.00 H new ATOM 0 HA ALA A 51 11.272 5.855 10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.932 6.729 10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.125 8.049 10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.324 7.527 8.727 1.00 0.00 H new ATOM 830 N ASN A 52 10.049 4.870 7.487 1.00 0.00 N ATOM 831 CA ASN A 52 9.588 3.672 6.776 1.00 0.00 C ATOM 832 C ASN A 52 10.663 2.572 6.690 1.00 0.00 C ATOM 833 O ASN A 52 10.346 1.387 6.815 1.00 0.00 O ATOM 834 CB ASN A 52 9.086 4.097 5.392 1.00 0.00 C ATOM 835 CG ASN A 52 8.541 2.916 4.629 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.438 2.456 4.849 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.308 2.372 3.725 1.00 0.00 N ATOM 0 H ASN A 52 10.146 5.691 6.890 1.00 0.00 H new ATOM 0 HA ASN A 52 8.773 3.220 7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.310 4.855 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.901 4.553 4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.982 1.559 3.202 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.234 2.759 3.541 1.00 0.00 H new ATOM 844 N ILE A 53 11.934 2.957 6.526 1.00 0.00 N ATOM 845 CA ILE A 53 13.096 2.051 6.526 1.00 0.00 C ATOM 846 C ILE A 53 13.319 1.437 7.908 1.00 0.00 C ATOM 847 O ILE A 53 13.234 0.224 8.052 1.00 0.00 O ATOM 848 CB ILE A 53 14.356 2.788 6.026 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.191 3.211 4.546 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.628 1.926 6.178 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.168 4.314 4.112 1.00 0.00 C ATOM 0 H ILE A 53 12.193 3.933 6.386 1.00 0.00 H new ATOM 0 HA ILE A 53 12.890 1.231 5.838 1.00 0.00 H new ATOM 0 HB ILE A 53 14.472 3.676 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.334 2.338 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.170 3.558 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.491 2.484 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.775 1.676 7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.518 1.009 5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.996 4.561 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.010 5.202 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.192 3.963 4.239 1.00 0.00 H new ATOM 863 N LYS A 54 13.528 2.251 8.950 1.00 0.00 N ATOM 864 CA LYS A 54 13.648 1.800 10.348 1.00 0.00 C ATOM 865 C LYS A 54 12.447 0.996 10.849 1.00 0.00 C ATOM 866 O LYS A 54 12.523 0.400 11.921 1.00 0.00 O ATOM 867 CB LYS A 54 13.903 3.009 11.259 1.00 0.00 C ATOM 868 CG LYS A 54 15.287 3.610 10.988 1.00 0.00 C ATOM 869 CD LYS A 54 15.574 4.759 11.955 1.00 0.00 C ATOM 870 CE LYS A 54 16.977 5.310 11.685 1.00 0.00 C ATOM 871 NZ LYS A 54 17.032 6.760 11.961 1.00 0.00 N ATOM 0 H LYS A 54 13.621 3.261 8.846 1.00 0.00 H new ATOM 0 HA LYS A 54 14.494 1.114 10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.134 3.764 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.831 2.705 12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.051 2.840 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.338 3.971 9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.831 5.547 11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.500 4.410 12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.704 4.789 12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.253 5.122 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.807 7.188 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.131 7.200 11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.197 6.914 12.976 1.00 0.00 H new ATOM 885 N LYS A 55 11.344 0.964 10.088 1.00 0.00 N ATOM 886 CA LYS A 55 10.209 0.079 10.378 1.00 0.00 C ATOM 887 C LYS A 55 10.400 -1.373 9.906 1.00 0.00 C ATOM 888 O LYS A 55 9.851 -2.246 10.574 1.00 0.00 O ATOM 889 CB LYS A 55 8.902 0.680 9.822 1.00 0.00 C ATOM 890 CG LYS A 55 7.760 0.578 10.839 1.00 0.00 C ATOM 891 CD LYS A 55 7.824 1.660 11.928 1.00 0.00 C ATOM 892 CE LYS A 55 7.122 1.172 13.203 1.00 0.00 C ATOM 893 NZ LYS A 55 5.702 0.820 12.957 1.00 0.00 N ATOM 0 H LYS A 55 11.214 1.546 9.261 1.00 0.00 H new ATOM 0 HA LYS A 55 10.147 0.018 11.464 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.064 1.725 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.622 0.160 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.807 0.654 10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.787 -0.405 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.863 1.904 12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.350 2.574 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.648 0.302 13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.176 1.948 13.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.218 0.676 13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.238 1.591 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.653 -0.055 12.396 1.00 0.00 H new ATOM 907 N ASN A 56 11.105 -1.605 8.785 1.00 0.00 N ATOM 908 CA ASN A 56 11.134 -2.832 7.954 1.00 0.00 C ATOM 909 C ASN A 56 10.006 -3.843 8.257 1.00 0.00 C ATOM 910 O ASN A 56 10.234 -5.012 8.554 1.00 0.00 O ATOM 911 CB ASN A 56 12.549 -3.453 7.941 1.00 0.00 C ATOM 912 CG ASN A 56 13.593 -2.735 7.094 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.782 -2.853 7.320 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.243 -2.049 6.032 1.00 0.00 N ATOM 0 H ASN A 56 11.719 -0.886 8.402 1.00 0.00 H new ATOM 0 HA ASN A 56 10.908 -2.521 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.913 -3.497 8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.469 -4.481 7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.958 -1.638 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.256 -1.926 5.807 1.00 0.00 H new ATOM 921 N VAL A 57 8.761 -3.387 8.133 1.00 0.00 N ATOM 922 CA VAL A 57 7.539 -4.163 8.344 1.00 0.00 C ATOM 923 C VAL A 57 7.389 -5.176 7.229 1.00 0.00 C ATOM 924 O VAL A 57 7.189 -4.777 6.086 1.00 0.00 O ATOM 925 CB VAL A 57 6.317 -3.225 8.396 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.974 -3.956 8.350 1.00 0.00 C ATOM 927 CG2 VAL A 57 6.359 -2.427 9.701 1.00 0.00 C ATOM 0 H VAL A 57 8.567 -2.421 7.870 1.00 0.00 H new ATOM 0 HA VAL A 57 7.603 -4.691 9.296 1.00 0.00 H new ATOM 0 HB VAL A 57 6.382 -2.592 7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.163 -3.229 8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.903 -4.528 7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.898 -4.632 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.498 -1.760 9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.333 -3.113 10.548 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.276 -1.839 9.739 1.00 0.00 H new ATOM 937 N LEU A 58 7.453 -6.471 7.548 1.00 0.00 N ATOM 938 CA LEU A 58 7.050 -7.537 6.628 1.00 0.00 C ATOM 939 C LEU A 58 5.569 -7.369 6.238 1.00 0.00 C ATOM 940 O LEU A 58 4.675 -7.600 7.052 1.00 0.00 O ATOM 941 CB LEU A 58 7.371 -8.918 7.230 1.00 0.00 C ATOM 942 CG LEU A 58 7.420 -10.057 6.185 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.058 -11.301 6.816 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.038 -10.481 5.682 1.00 0.00 C ATOM 0 H LEU A 58 7.785 -6.810 8.451 1.00 0.00 H new ATOM 0 HA LEU A 58 7.626 -7.465 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.331 -8.866 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.620 -9.160 7.982 1.00 0.00 H new ATOM 0 HG LEU A 58 7.995 -9.667 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.093 -12.105 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.070 -11.064 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.464 -11.619 7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.147 -11.283 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.438 -10.833 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.544 -9.629 5.214 1.00 0.00 H new ATOM 956 N TRP A 59 5.313 -6.924 5.014 1.00 0.00 N ATOM 957 CA TRP A 59 3.983 -6.691 4.452 1.00 0.00 C ATOM 958 C TRP A 59 3.184 -7.992 4.237 1.00 0.00 C ATOM 959 O TRP A 59 3.454 -8.726 3.287 1.00 0.00 O ATOM 960 CB TRP A 59 4.143 -5.932 3.124 1.00 0.00 C ATOM 961 CG TRP A 59 4.659 -4.524 3.203 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.686 -4.001 2.487 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.146 -3.423 4.007 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.840 -2.663 2.806 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.944 -2.269 3.767 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.067 -3.274 4.899 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.726 -1.046 4.411 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.821 -2.053 5.543 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.661 -0.942 5.323 1.00 0.00 C ATOM 0 H TRP A 59 6.059 -6.705 4.354 1.00 0.00 H new ATOM 0 HA TRP A 59 3.410 -6.101 5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.816 -6.504 2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.173 -5.910 2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.291 -4.545 1.777 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.533 -2.047 2.380 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.417 -4.115 5.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.364 -0.198 4.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.980 -1.963 6.214 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.487 -0.017 5.852 1.00 0.00 H new ATOM 980 N ASP A 60 2.162 -8.250 5.059 1.00 0.00 N ATOM 981 CA ASP A 60 1.059 -9.185 4.749 1.00 0.00 C ATOM 982 C ASP A 60 -0.269 -8.443 4.508 1.00 0.00 C ATOM 983 O ASP A 60 -0.377 -7.237 4.733 1.00 0.00 O ATOM 984 CB ASP A 60 0.910 -10.304 5.805 1.00 0.00 C ATOM 985 CG ASP A 60 -0.193 -10.052 6.845 1.00 0.00 C ATOM 986 OD1 ASP A 60 0.043 -9.315 7.818 1.00 0.00 O ATOM 987 OD2 ASP A 60 -1.335 -10.535 6.675 1.00 0.00 O ATOM 0 H ASP A 60 2.070 -7.811 5.975 1.00 0.00 H new ATOM 0 HA ASP A 60 1.329 -9.679 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.703 -11.244 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.861 -10.426 6.324 1.00 0.00 H new ATOM 992 N GLU A 61 -1.284 -9.191 4.080 1.00 0.00 N ATOM 993 CA GLU A 61 -2.666 -8.757 3.840 1.00 0.00 C ATOM 994 C GLU A 61 -3.266 -7.940 5.004 1.00 0.00 C ATOM 995 O GLU A 61 -3.822 -6.863 4.771 1.00 0.00 O ATOM 996 CB GLU A 61 -3.502 -10.008 3.490 1.00 0.00 C ATOM 997 CG GLU A 61 -3.174 -10.497 2.066 1.00 0.00 C ATOM 998 CD GLU A 61 -3.436 -11.996 1.846 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.610 -12.424 1.785 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.450 -12.718 1.572 1.00 0.00 O ATOM 0 H GLU A 61 -1.158 -10.183 3.877 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.680 -8.059 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.298 -10.801 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.564 -9.775 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.766 -9.926 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.126 -10.286 1.852 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.148 -8.399 6.258 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.766 -7.763 7.418 1.00 0.00 C ATOM 1009 C ASN A 62 -2.896 -6.726 8.164 1.00 0.00 C ATOM 1010 O ASN A 62 -3.411 -5.698 8.597 1.00 0.00 O ATOM 1011 CB ASN A 62 -4.410 -8.860 8.287 1.00 0.00 C ATOM 1012 CG ASN A 62 -3.631 -9.523 9.419 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -4.160 -9.692 10.515 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -2.428 -10.001 9.217 1.00 0.00 N ATOM 0 H ASN A 62 -2.612 -9.234 6.493 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.556 -7.100 7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.310 -8.431 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.732 -9.654 7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.947 -10.503 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.972 -9.871 8.314 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.579 -6.920 8.228 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.601 -5.899 8.643 1.00 0.00 C ATOM 1023 C ASN A 63 -0.649 -4.644 7.734 1.00 0.00 C ATOM 1024 O ASN A 63 -0.699 -3.513 8.221 1.00 0.00 O ATOM 1025 CB ASN A 63 0.778 -6.594 8.658 1.00 0.00 C ATOM 1026 CG ASN A 63 1.956 -5.824 9.222 1.00 0.00 C ATOM 1027 OD1 ASN A 63 1.971 -4.614 9.381 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.019 -6.526 9.534 1.00 0.00 N ATOM 0 H ASN A 63 -1.146 -7.812 7.988 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.830 -5.513 9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.680 -7.519 9.227 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.022 -6.875 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.847 -6.060 9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.018 -7.538 9.405 1.00 0.00 H new ATOM 1035 N MET A 64 -0.688 -4.824 6.405 1.00 0.00 N ATOM 1036 CA MET A 64 -0.884 -3.699 5.482 1.00 0.00 C ATOM 1037 C MET A 64 -2.261 -3.040 5.670 1.00 0.00 C ATOM 1038 O MET A 64 -2.365 -1.821 5.541 1.00 0.00 O ATOM 1039 CB MET A 64 -0.701 -4.142 4.023 1.00 0.00 C ATOM 1040 CG MET A 64 -0.689 -2.951 3.052 1.00 0.00 C ATOM 1041 SD MET A 64 -0.833 -3.378 1.297 1.00 0.00 S ATOM 1042 CE MET A 64 0.714 -4.292 1.069 1.00 0.00 C ATOM 0 H MET A 64 -0.587 -5.731 5.949 1.00 0.00 H new ATOM 0 HA MET A 64 -0.122 -2.956 5.718 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.233 -4.696 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.506 -4.824 3.749 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.509 -2.282 3.314 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.236 -2.394 3.198 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.731 -4.736 0.074 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.558 -3.611 1.177 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.785 -5.080 1.819 1.00 0.00 H new ATOM 1052 N SER A 65 -3.319 -3.806 5.977 1.00 0.00 N ATOM 1053 CA SER A 65 -4.642 -3.207 6.206 1.00 0.00 C ATOM 1054 C SER A 65 -4.669 -2.297 7.447 1.00 0.00 C ATOM 1055 O SER A 65 -5.288 -1.233 7.371 1.00 0.00 O ATOM 1056 CB SER A 65 -5.795 -4.231 6.169 1.00 0.00 C ATOM 1057 OG SER A 65 -6.189 -4.701 7.443 1.00 0.00 O ATOM 0 H SER A 65 -3.287 -4.821 6.071 1.00 0.00 H new ATOM 0 HA SER A 65 -4.826 -2.554 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.656 -3.776 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.493 -5.081 5.557 1.00 0.00 H new ATOM 0 HG SER A 65 -5.404 -5.033 7.926 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.968 -2.630 8.535 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.812 -1.748 9.705 1.00 0.00 C ATOM 1065 C GLU A 66 -2.995 -0.484 9.364 1.00 0.00 C ATOM 1066 O GLU A 66 -3.399 0.646 9.653 1.00 0.00 O ATOM 1067 CB GLU A 66 -3.177 -2.532 10.869 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.124 -1.755 12.199 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.506 -1.453 12.811 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.253 -0.646 12.209 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.792 -1.969 13.913 1.00 0.00 O ATOM 0 H GLU A 66 -3.488 -3.525 8.633 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.801 -1.407 10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.739 -3.453 11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.164 -2.820 10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.538 -2.328 12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.598 -0.814 12.036 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.873 -0.653 8.652 1.00 0.00 N ATOM 1079 CA TYR A 67 -1.101 0.459 8.081 1.00 0.00 C ATOM 1080 C TYR A 67 -1.994 1.410 7.267 1.00 0.00 C ATOM 1081 O TYR A 67 -2.037 2.606 7.543 1.00 0.00 O ATOM 1082 CB TYR A 67 0.052 -0.111 7.246 1.00 0.00 C ATOM 1083 CG TYR A 67 0.748 0.869 6.325 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.320 2.031 6.860 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.856 0.605 4.945 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.038 2.918 6.037 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.577 1.484 4.115 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.180 2.635 4.665 1.00 0.00 C ATOM 1089 OH TYR A 67 2.912 3.459 3.878 1.00 0.00 O ATOM 0 H TYR A 67 -1.473 -1.570 8.455 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.683 1.060 8.889 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.794 -0.531 7.925 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.333 -0.935 6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.209 2.247 7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.386 -0.271 4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.478 3.811 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.669 1.278 3.059 1.00 0.00 H new ATOM 0 HH TYR A 67 2.313 3.983 3.307 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.780 0.893 6.321 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.723 1.674 5.505 1.00 0.00 C ATOM 1101 C LEU A 68 -4.881 2.308 6.309 1.00 0.00 C ATOM 1102 O LEU A 68 -5.512 3.251 5.820 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.254 0.788 4.365 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.190 0.363 3.331 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.802 -0.669 2.381 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.657 1.532 2.512 1.00 0.00 C ATOM 0 H LEU A 68 -2.782 -0.101 6.093 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.171 2.522 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.700 -0.108 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.051 1.323 3.848 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.350 -0.055 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.057 -0.975 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.129 -1.539 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.657 -0.229 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.913 1.170 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.478 2.000 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.198 2.263 3.178 1.00 0.00 H new ATOM 1118 N THR A 69 -5.147 1.843 7.538 1.00 0.00 N ATOM 1119 CA THR A 69 -6.049 2.492 8.505 1.00 0.00 C ATOM 1120 C THR A 69 -5.521 3.865 8.915 1.00 0.00 C ATOM 1121 O THR A 69 -6.291 4.821 8.974 1.00 0.00 O ATOM 1122 CB THR A 69 -6.301 1.595 9.746 1.00 0.00 C ATOM 1123 OG1 THR A 69 -7.674 1.298 9.838 1.00 0.00 O ATOM 1124 CG2 THR A 69 -5.934 2.147 11.131 1.00 0.00 C ATOM 0 H THR A 69 -4.731 0.984 7.898 1.00 0.00 H new ATOM 0 HA THR A 69 -7.009 2.636 8.008 1.00 0.00 H new ATOM 0 HB THR A 69 -5.636 0.753 9.552 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.800 0.503 10.397 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.169 1.404 11.893 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.868 2.374 11.162 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.504 3.056 11.323 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.231 3.957 9.245 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.585 5.173 9.723 1.00 0.00 C ATOM 1134 C ASN A 70 -2.070 5.101 9.434 1.00 0.00 C ATOM 1135 O ASN A 70 -1.277 4.826 10.345 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.910 5.372 11.216 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.541 6.767 11.688 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.518 7.337 11.343 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.376 7.388 12.485 1.00 0.00 N ATOM 0 H ASN A 70 -3.593 3.164 9.184 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.965 6.047 9.195 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.973 5.200 11.383 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.371 4.633 11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.166 8.333 12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.235 6.926 12.783 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.642 5.371 8.185 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.245 5.201 7.794 1.00 0.00 C ATOM 1148 C PRO A 71 0.631 6.171 8.583 1.00 0.00 C ATOM 1149 O PRO A 71 1.675 5.806 9.116 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.213 5.446 6.278 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.439 6.327 6.028 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.444 5.801 7.049 1.00 0.00 C ATOM 0 HA PRO A 71 0.149 4.209 8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.707 5.944 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.271 4.512 5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.218 7.383 6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.808 6.227 5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.154 6.576 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.024 4.974 6.641 1.00 0.00 H new ATOM 1160 N LYS A 72 0.122 7.396 8.740 1.00 0.00 N ATOM 1161 CA LYS A 72 0.689 8.570 9.406 1.00 0.00 C ATOM 1162 C LYS A 72 1.092 8.333 10.866 1.00 0.00 C ATOM 1163 O LYS A 72 2.058 8.930 11.330 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.356 9.692 9.259 1.00 0.00 C ATOM 1165 CG LYS A 72 0.250 11.100 9.172 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.786 12.144 8.714 1.00 0.00 C ATOM 1167 CE LYS A 72 -1.226 11.895 7.261 1.00 0.00 C ATOM 1168 NZ LYS A 72 -2.100 12.969 6.727 1.00 0.00 N ATOM 0 H LYS A 72 -0.800 7.612 8.361 1.00 0.00 H new ATOM 0 HA LYS A 72 1.634 8.838 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.950 9.507 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.038 9.653 10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.647 11.385 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.089 11.092 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.655 12.109 9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.361 13.144 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.342 11.806 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.754 10.943 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.226 12.837 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.027 12.929 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.661 13.895 6.906 1.00 0.00 H new ATOM 1182 N LYS A 73 0.373 7.465 11.590 1.00 0.00 N ATOM 1183 CA LYS A 73 0.687 7.061 12.972 1.00 0.00 C ATOM 1184 C LYS A 73 1.295 5.659 13.085 1.00 0.00 C ATOM 1185 O LYS A 73 1.896 5.340 14.109 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.565 7.216 13.854 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.241 7.371 15.355 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.951 6.357 16.262 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.368 4.945 16.103 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.960 3.995 17.078 1.00 0.00 N ATOM 0 H LYS A 73 -0.464 7.012 11.224 1.00 0.00 H new ATOM 0 HA LYS A 73 1.468 7.731 13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.130 8.086 13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.207 6.346 13.716 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.836 7.274 15.494 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.514 8.378 15.672 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.861 6.673 17.301 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.015 6.340 16.025 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.551 4.588 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.713 4.980 16.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.543 3.052 16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.764 4.323 18.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.988 3.943 16.932 1.00 0.00 H new ATOM 1204 N TYR A 74 1.144 4.793 12.081 1.00 0.00 N ATOM 1205 CA TYR A 74 1.866 3.516 12.012 1.00 0.00 C ATOM 1206 C TYR A 74 3.356 3.722 11.716 1.00 0.00 C ATOM 1207 O TYR A 74 4.204 3.035 12.291 1.00 0.00 O ATOM 1208 CB TYR A 74 1.235 2.618 10.943 1.00 0.00 C ATOM 1209 CG TYR A 74 1.703 1.171 11.001 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.323 0.353 12.083 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.494 0.628 9.969 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.743 -0.991 12.141 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.877 -0.725 10.000 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.507 -1.539 11.090 1.00 0.00 C ATOM 1215 OH TYR A 74 2.914 -2.832 11.153 1.00 0.00 O ATOM 0 H TYR A 74 0.518 4.955 11.292 1.00 0.00 H new ATOM 0 HA TYR A 74 1.787 3.034 12.986 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.151 2.644 11.054 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.465 3.025 9.958 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.707 0.758 12.872 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.809 1.255 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.479 -1.602 12.992 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.455 -1.141 9.188 1.00 0.00 H new ATOM 0 HH TYR A 74 2.325 -3.388 10.601 1.00 0.00 H new ATOM 1225 N ILE A 75 3.660 4.686 10.845 1.00 0.00 N ATOM 1226 CA ILE A 75 5.005 5.111 10.438 1.00 0.00 C ATOM 1227 C ILE A 75 5.138 6.636 10.658 1.00 0.00 C ATOM 1228 O ILE A 75 5.080 7.412 9.704 1.00 0.00 O ATOM 1229 CB ILE A 75 5.309 4.663 8.986 1.00 0.00 C ATOM 1230 CG1 ILE A 75 4.954 3.176 8.756 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.796 4.921 8.692 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.376 2.598 7.399 1.00 0.00 C ATOM 0 H ILE A 75 2.932 5.224 10.376 1.00 0.00 H new ATOM 0 HA ILE A 75 5.761 4.625 11.055 1.00 0.00 H new ATOM 0 HB ILE A 75 4.689 5.242 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.419 2.584 9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.876 3.057 8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.025 4.610 7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.010 5.984 8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.409 4.352 9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.080 1.551 7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.891 3.157 6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.458 2.675 7.291 1.00 0.00 H new ATOM 1244 N PRO A 76 5.281 7.099 11.916 1.00 0.00 N ATOM 1245 CA PRO A 76 5.385 8.523 12.237 1.00 0.00 C ATOM 1246 C PRO A 76 6.681 9.111 11.663 1.00 0.00 C ATOM 1247 O PRO A 76 7.765 8.852 12.178 1.00 0.00 O ATOM 1248 CB PRO A 76 5.306 8.610 13.765 1.00 0.00 C ATOM 1249 CG PRO A 76 5.859 7.262 14.228 1.00 0.00 C ATOM 1250 CD PRO A 76 5.408 6.299 13.129 1.00 0.00 C ATOM 0 HA PRO A 76 4.585 9.114 11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.897 9.440 14.151 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.282 8.762 14.106 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.945 7.284 14.323 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.460 6.977 15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.133 5.497 12.992 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.459 5.830 13.388 1.00 0.00 H new ATOM 1258 N GLY A 77 6.566 9.845 10.553 1.00 0.00 N ATOM 1259 CA GLY A 77 7.672 10.349 9.724 1.00 0.00 C ATOM 1260 C GLY A 77 7.607 9.925 8.247 1.00 0.00 C ATOM 1261 O GLY A 77 8.434 10.372 7.455 1.00 0.00 O ATOM 0 H GLY A 77 5.654 10.119 10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.681 11.438 9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.614 10.001 10.147 1.00 0.00 H new ATOM 1265 N THR A 78 6.634 9.087 7.860 1.00 0.00 N ATOM 1266 CA THR A 78 6.395 8.660 6.466 1.00 0.00 C ATOM 1267 C THR A 78 6.015 9.812 5.529 1.00 0.00 C ATOM 1268 O THR A 78 5.291 10.734 5.904 1.00 0.00 O ATOM 1269 CB THR A 78 5.313 7.560 6.395 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.182 7.038 5.091 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.904 8.008 6.798 1.00 0.00 C ATOM 0 H THR A 78 5.974 8.676 8.520 1.00 0.00 H new ATOM 0 HA THR A 78 7.349 8.262 6.119 1.00 0.00 H new ATOM 0 HB THR A 78 5.676 6.822 7.111 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.490 6.344 5.084 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.217 7.166 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.917 8.366 7.827 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.575 8.811 6.139 1.00 0.00 H new ATOM 1279 N LYS A 79 6.414 9.688 4.258 1.00 0.00 N ATOM 1280 CA LYS A 79 5.936 10.462 3.104 1.00 0.00 C ATOM 1281 C LYS A 79 4.538 10.037 2.623 1.00 0.00 C ATOM 1282 O LYS A 79 3.973 10.741 1.790 1.00 0.00 O ATOM 1283 CB LYS A 79 6.932 10.302 1.946 1.00 0.00 C ATOM 1284 CG LYS A 79 8.096 11.298 1.919 1.00 0.00 C ATOM 1285 CD LYS A 79 9.065 10.834 0.818 1.00 0.00 C ATOM 1286 CE LYS A 79 10.253 11.778 0.638 1.00 0.00 C ATOM 1287 NZ LYS A 79 11.154 11.279 -0.434 1.00 0.00 N ATOM 0 H LYS A 79 7.122 9.004 3.990 1.00 0.00 H new ATOM 0 HA LYS A 79 5.862 11.501 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.344 9.293 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.384 10.388 1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.735 12.306 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.598 11.329 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.433 9.837 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.524 10.754 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.897 12.777 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.804 11.862 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.957 11.931 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.508 10.335 -0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.629 11.221 -1.330 1.00 0.00 H new ATOM 1301 N MET A 80 3.939 8.952 3.136 1.00 0.00 N ATOM 1302 CA MET A 80 2.547 8.589 2.854 1.00 0.00 C ATOM 1303 C MET A 80 1.559 9.546 3.553 1.00 0.00 C ATOM 1304 O MET A 80 0.873 9.215 4.522 1.00 0.00 O ATOM 1305 CB MET A 80 2.307 7.100 3.157 1.00 0.00 C ATOM 1306 CG MET A 80 0.872 6.714 2.783 1.00 0.00 C ATOM 1307 SD MET A 80 0.606 5.046 2.120 1.00 0.00 S ATOM 1308 CE MET A 80 -1.190 4.951 2.307 1.00 0.00 C ATOM 0 H MET A 80 4.412 8.300 3.762 1.00 0.00 H new ATOM 0 HA MET A 80 2.353 8.715 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.015 6.488 2.598 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.482 6.903 4.215 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.250 6.828 3.671 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.511 7.432 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.590 4.213 1.611 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.434 4.657 3.328 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.630 5.925 2.095 1.00 0.00 H new ATOM 1318 N ALA A 81 1.463 10.764 3.011 1.00 0.00 N ATOM 1319 CA ALA A 81 0.633 11.847 3.536 1.00 0.00 C ATOM 1320 C ALA A 81 -0.882 11.626 3.413 1.00 0.00 C ATOM 1321 O ALA A 81 -1.658 12.298 4.094 1.00 0.00 O ATOM 1322 CB ALA A 81 1.081 13.158 2.875 1.00 0.00 C ATOM 0 H ALA A 81 1.977 11.029 2.170 1.00 0.00 H new ATOM 0 HA ALA A 81 0.790 11.885 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.475 13.981 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.130 13.343 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.957 13.082 1.795 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.251 10.632 2.615 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.580 10.167 2.210 1.00 0.00 C ATOM 1330 C PHE A 82 -3.720 10.518 3.181 1.00 0.00 C ATOM 1331 O PHE A 82 -4.577 11.326 2.845 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.506 8.653 1.963 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.852 7.995 1.725 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.720 8.486 0.731 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.256 6.910 2.526 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.969 7.879 0.521 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.512 6.316 2.329 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.364 6.794 1.319 1.00 0.00 C ATOM 0 H PHE A 82 -0.533 10.055 2.177 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.841 10.704 1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.866 8.468 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.029 8.179 2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.424 9.332 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.597 6.534 3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.625 8.247 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.824 5.492 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.324 6.326 1.157 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.754 9.916 4.373 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.874 10.067 5.308 1.00 0.00 C ATOM 1350 C GLY A 83 -5.081 8.833 6.177 1.00 0.00 C ATOM 1351 O GLY A 83 -4.536 8.778 7.276 1.00 0.00 O ATOM 0 H GLY A 83 -3.008 9.311 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.695 10.931 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.786 10.269 4.747 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.825 7.844 5.673 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.063 6.570 6.363 1.00 0.00 C ATOM 1357 C GLY A 84 -7.518 6.111 6.276 1.00 0.00 C ATOM 1358 O GLY A 84 -8.402 6.693 6.906 1.00 0.00 O ATOM 0 H GLY A 84 -6.285 7.905 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.419 5.803 5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.781 6.672 7.411 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.814 5.069 5.493 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.174 4.556 5.315 1.00 0.00 C ATOM 1364 C LEU A 85 -9.599 3.699 6.518 1.00 0.00 C ATOM 1365 O LEU A 85 -9.651 2.476 6.435 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.267 3.745 4.007 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.040 4.531 2.708 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.223 3.586 1.519 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.003 5.714 2.544 1.00 0.00 C ATOM 0 H LEU A 85 -7.111 4.555 4.962 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.857 5.403 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.537 2.937 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.252 3.281 3.960 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.029 4.936 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.064 4.134 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.502 2.771 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.234 3.178 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.791 6.228 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.030 5.348 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.873 6.407 3.376 1.00 0.00 H new ATOM 1381 N LYS A 86 -9.965 4.329 7.643 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.319 3.632 8.901 1.00 0.00 C ATOM 1383 C LYS A 86 -11.290 2.454 8.768 1.00 0.00 C ATOM 1384 O LYS A 86 -11.135 1.485 9.513 1.00 0.00 O ATOM 1385 CB LYS A 86 -10.882 4.621 9.938 1.00 0.00 C ATOM 1386 CG LYS A 86 -9.833 5.532 10.586 1.00 0.00 C ATOM 1387 CD LYS A 86 -8.687 4.799 11.304 1.00 0.00 C ATOM 1388 CE LYS A 86 -9.090 3.790 12.396 1.00 0.00 C ATOM 1389 NZ LYS A 86 -9.245 2.398 11.888 1.00 0.00 N ATOM 0 H LYS A 86 -10.026 5.345 7.713 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.372 3.203 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.636 5.243 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.388 4.057 10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.406 6.174 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.333 6.183 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.097 4.272 10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.034 5.546 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.337 3.799 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.029 4.111 12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.045 1.724 12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.219 2.258 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.580 2.238 11.104 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.245 2.535 7.839 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.193 1.485 7.442 1.00 0.00 C ATOM 1405 C LYS A 87 -12.489 0.187 7.012 1.00 0.00 C ATOM 1406 O LYS A 87 -11.941 0.120 5.915 1.00 0.00 O ATOM 1407 CB LYS A 87 -13.994 1.969 6.229 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.018 3.107 6.371 1.00 0.00 C ATOM 1409 CD LYS A 87 -15.554 3.253 4.939 1.00 0.00 C ATOM 1410 CE LYS A 87 -16.576 4.330 4.598 1.00 0.00 C ATOM 1411 NZ LYS A 87 -16.947 4.142 3.169 1.00 0.00 N ATOM 0 H LYS A 87 -12.388 3.393 7.307 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.821 1.283 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.274 2.277 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.527 1.106 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.809 2.855 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.555 4.027 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.693 3.410 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.993 2.295 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.454 4.245 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.158 5.323 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.807 5.035 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.348 3.402 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.945 3.857 3.104 1.00 0.00 H new ATOM 1425 N GLU A 88 -12.609 -0.871 7.810 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.157 -2.220 7.422 1.00 0.00 C ATOM 1427 C GLU A 88 -12.690 -2.661 6.044 1.00 0.00 C ATOM 1428 O GLU A 88 -11.912 -3.026 5.175 1.00 0.00 O ATOM 1429 CB GLU A 88 -12.515 -3.201 8.556 1.00 0.00 C ATOM 1430 CG GLU A 88 -11.800 -4.560 8.486 1.00 0.00 C ATOM 1431 CD GLU A 88 -10.274 -4.425 8.404 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -9.730 -3.582 9.160 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -9.660 -5.101 7.546 1.00 0.00 O ATOM 0 H GLU A 88 -13.020 -0.826 8.742 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.075 -2.211 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.279 -2.731 9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.591 -3.372 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.061 -5.149 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.159 -5.110 7.616 1.00 0.00 H new ATOM 1440 N LYS A 89 -13.996 -2.521 5.782 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.636 -2.971 4.532 1.00 0.00 C ATOM 1442 C LYS A 89 -14.075 -2.352 3.251 1.00 0.00 C ATOM 1443 O LYS A 89 -13.866 -3.070 2.282 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.152 -2.762 4.578 1.00 0.00 C ATOM 1445 CG LYS A 89 -16.794 -3.092 5.930 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.188 -3.736 5.835 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.267 -2.833 5.210 1.00 0.00 C ATOM 1448 NZ LYS A 89 -19.199 -2.793 3.725 1.00 0.00 N ATOM 0 H LYS A 89 -14.648 -2.088 6.437 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.398 -4.034 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.371 -1.724 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.616 -3.379 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.133 -3.765 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.870 -2.175 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.112 -4.651 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.509 -4.026 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.252 -3.188 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.158 -1.821 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.135 -2.551 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.507 -2.075 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.908 -3.724 3.366 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.856 -1.035 3.250 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.161 -0.334 2.154 1.00 0.00 C ATOM 1464 C ASP A 90 -11.810 -1.023 1.883 1.00 0.00 C ATOM 1465 O ASP A 90 -11.538 -1.458 0.765 1.00 0.00 O ATOM 1466 CB ASP A 90 -12.936 1.151 2.526 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.936 2.178 1.954 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.155 2.049 2.226 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.503 3.213 1.385 1.00 0.00 O ATOM 0 H ASP A 90 -14.153 -0.419 4.007 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.775 -0.375 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.951 1.234 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.936 1.434 2.198 1.00 0.00 H new ATOM 1474 N ARG A 91 -10.997 -1.170 2.942 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.683 -1.828 2.927 1.00 0.00 C ATOM 1476 C ARG A 91 -9.727 -3.322 2.581 1.00 0.00 C ATOM 1477 O ARG A 91 -8.758 -3.811 2.013 1.00 0.00 O ATOM 1478 CB ARG A 91 -8.954 -1.613 4.266 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.549 -0.146 4.476 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.695 0.052 5.735 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.496 0.024 6.973 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.654 -0.968 7.822 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -7.970 -2.061 7.752 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.503 -0.902 8.806 1.00 0.00 N ATOM 0 H ARG A 91 -11.248 -0.820 3.867 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.128 -1.351 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.600 -1.931 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.065 -2.242 4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.994 0.203 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.446 0.469 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.935 -0.728 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.170 1.005 5.668 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.992 0.886 7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.274 -2.181 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.126 -2.805 8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.069 -0.064 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.602 -1.689 9.448 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.807 -4.050 2.865 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.944 -5.467 2.519 1.00 0.00 C ATOM 1500 C ASN A 92 -11.059 -5.679 1.014 1.00 0.00 C ATOM 1501 O ASN A 92 -10.286 -6.454 0.446 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.148 -6.102 3.225 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.048 -6.148 4.731 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -13.029 -5.972 5.430 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -10.879 -6.417 5.270 1.00 0.00 N ATOM 0 H ASN A 92 -11.621 -3.669 3.347 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.034 -5.958 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.046 -5.547 2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.275 -7.118 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.787 -6.480 6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.064 -6.563 4.674 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.987 -4.989 0.350 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.024 -4.960 -1.112 1.00 0.00 C ATOM 1514 C ASP A 93 -10.680 -4.490 -1.685 1.00 0.00 C ATOM 1515 O ASP A 93 -10.158 -5.121 -2.605 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.154 -4.050 -1.590 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.523 -4.713 -1.487 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.767 -5.764 -2.134 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.429 -4.090 -0.894 1.00 0.00 O ATOM 0 H ASP A 93 -12.722 -4.444 0.801 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.209 -5.972 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.153 -3.134 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.971 -3.762 -2.625 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.084 -3.436 -1.110 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.765 -2.918 -1.491 1.00 0.00 C ATOM 1526 C LEU A 94 -7.671 -3.992 -1.467 1.00 0.00 C ATOM 1527 O LEU A 94 -6.972 -4.171 -2.457 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.373 -1.736 -0.585 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.803 -0.554 -1.374 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -8.946 0.238 -2.005 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -7.041 0.378 -0.440 1.00 0.00 C ATOM 0 H LEU A 94 -10.516 -2.909 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.848 -2.576 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.248 -1.406 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.635 -2.071 0.144 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.135 -0.940 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.539 1.079 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.509 -0.409 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.607 0.610 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.639 1.216 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.716 0.753 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.222 -0.167 0.030 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.521 -4.716 -0.357 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.555 -5.814 -0.216 1.00 0.00 C ATOM 1545 C ILE A 95 -6.903 -6.977 -1.157 1.00 0.00 C ATOM 1546 O ILE A 95 -6.000 -7.519 -1.784 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.438 -6.257 1.262 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -5.765 -5.178 2.149 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.690 -7.591 1.426 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -4.271 -4.916 1.903 1.00 0.00 C ATOM 0 H ILE A 95 -8.075 -4.556 0.485 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.571 -5.454 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.465 -6.397 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.302 -4.240 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.893 -5.467 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.638 -7.852 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.220 -8.374 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.680 -7.494 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.920 -4.142 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.708 -5.833 2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.124 -4.587 0.874 1.00 0.00 H new ATOM 1562 N THR A 96 -8.183 -7.323 -1.332 1.00 0.00 N ATOM 1563 CA THR A 96 -8.606 -8.375 -2.283 1.00 0.00 C ATOM 1564 C THR A 96 -8.203 -8.047 -3.725 1.00 0.00 C ATOM 1565 O THR A 96 -7.815 -8.935 -4.482 1.00 0.00 O ATOM 1566 CB THR A 96 -10.121 -8.633 -2.232 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.543 -8.817 -0.903 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.510 -9.919 -2.963 1.00 0.00 C ATOM 0 H THR A 96 -8.955 -6.890 -0.826 1.00 0.00 H new ATOM 0 HA THR A 96 -8.085 -9.279 -1.967 1.00 0.00 H new ATOM 0 HB THR A 96 -10.586 -7.765 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.498 -7.963 -0.424 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.589 -10.061 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.213 -9.847 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.006 -10.767 -2.500 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.260 -6.771 -4.108 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.668 -6.256 -5.344 1.00 0.00 C ATOM 1578 C TYR A 97 -6.145 -6.363 -5.342 1.00 0.00 C ATOM 1579 O TYR A 97 -5.590 -7.038 -6.202 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.111 -4.807 -5.538 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.211 -3.958 -6.417 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.039 -4.261 -7.782 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.492 -2.897 -5.837 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.184 -3.473 -8.577 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.616 -2.129 -6.623 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.484 -2.395 -7.999 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.682 -1.616 -8.771 1.00 0.00 O ATOM 0 H TYR A 97 -8.728 -6.052 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.019 -6.866 -6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.113 -4.807 -5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.183 -4.334 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.563 -5.098 -8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.613 -2.673 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.065 -3.694 -9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.043 -1.333 -6.170 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.759 -0.682 -8.484 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.474 -5.687 -4.405 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.035 -5.467 -4.420 1.00 0.00 C ATOM 1599 C LEU A 98 -3.243 -6.769 -4.359 1.00 0.00 C ATOM 1600 O LEU A 98 -2.254 -6.905 -5.069 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.685 -4.521 -3.259 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.255 -3.138 -3.759 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.368 -2.099 -2.650 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.810 -3.151 -4.253 1.00 0.00 C ATOM 0 H LEU A 98 -5.934 -5.269 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.751 -5.009 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.549 -4.417 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.883 -4.958 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.921 -2.880 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.057 -1.126 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.402 -2.042 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.726 -2.385 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.535 -2.155 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.149 -3.445 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.712 -3.862 -5.074 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.733 -7.742 -3.584 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.289 -9.136 -3.612 1.00 0.00 C ATOM 1618 C LYS A 99 -3.276 -9.647 -5.050 1.00 0.00 C ATOM 1619 O LYS A 99 -2.219 -9.999 -5.563 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.196 -9.951 -2.675 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.818 -11.434 -2.561 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.724 -12.100 -1.515 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.459 -13.596 -1.277 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.093 -13.878 -0.780 1.00 0.00 N ATOM 0 H LYS A 99 -4.471 -7.575 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.266 -9.238 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.168 -9.504 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.224 -9.877 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.931 -11.927 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.772 -11.535 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.608 -11.572 -0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.762 -11.976 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.185 -13.976 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.618 -14.139 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.921 -14.903 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.397 -13.398 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.000 -13.531 0.196 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.405 -9.568 -5.755 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.580 -10.079 -7.126 1.00 0.00 C ATOM 1640 C LYS A 100 -4.332 -9.116 -8.282 1.00 0.00 C ATOM 1641 O LYS A 100 -4.801 -9.267 -9.410 1.00 0.00 O ATOM 1642 CB LYS A 100 -5.877 -10.882 -7.185 1.00 0.00 C ATOM 1643 CG LYS A 100 -5.398 -12.240 -7.707 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.219 -13.523 -7.795 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.082 -14.470 -8.238 1.00 0.00 C ATOM 1646 NZ LYS A 100 -5.345 -15.911 -8.166 1.00 0.00 N ATOM 0 H LYS A 100 -5.250 -9.135 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.741 -10.747 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.348 -10.966 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.608 -10.425 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.041 -12.053 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.526 -12.493 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.665 -13.809 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.029 -13.461 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.820 -14.225 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.206 -14.255 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.506 -16.434 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.560 -16.176 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.155 -16.147 -8.774 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.519 -8.145 -7.929 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.570 -7.431 -8.775 1.00 0.00 C ATOM 1662 C ALA A 101 -1.087 -7.856 -8.576 1.00 0.00 C ATOM 1663 O ALA A 101 -0.208 -7.308 -9.248 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.792 -5.935 -8.562 1.00 0.00 C ATOM 0 H ALA A 101 -3.498 -7.802 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.763 -7.697 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.095 -5.372 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.814 -5.676 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.625 -5.688 -7.514 1.00 0.00 H new ATOM 1670 N THR A 102 -0.797 -8.817 -7.681 1.00 0.00 N ATOM 1671 CA THR A 102 0.549 -9.364 -7.383 1.00 0.00 C ATOM 1672 C THR A 102 0.653 -10.911 -7.441 1.00 0.00 C ATOM 1673 O THR A 102 1.758 -11.419 -7.617 1.00 0.00 O ATOM 1674 CB THR A 102 1.093 -8.871 -6.031 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.427 -9.380 -4.901 1.00 0.00 O ATOM 1676 CG2 THR A 102 1.053 -7.347 -5.937 1.00 0.00 C ATOM 0 H THR A 102 -1.524 -9.257 -7.117 1.00 0.00 H new ATOM 0 HA THR A 102 1.165 -8.975 -8.193 1.00 0.00 H new ATOM 0 HB THR A 102 2.115 -9.249 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.504 -9.579 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.444 -7.032 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.662 -6.917 -6.732 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.024 -7.003 -6.042 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.467 -11.656 -7.342 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.625 -13.141 -7.394 1.00 0.00 C ATOM 1686 C GLU A 103 -1.879 -13.613 -8.175 1.00 0.00 C ATOM 1687 O GLU A 103 -2.153 -14.836 -8.245 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.627 -13.729 -5.960 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.774 -13.216 -5.070 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.004 -14.047 -3.797 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -1.294 -13.833 -2.787 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -3.012 -14.793 -3.726 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.621 -12.739 -8.672 1.00 0.00 O ATOM 0 H GLU A 103 -1.371 -11.201 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 103 0.233 -13.519 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.690 -14.815 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.323 -13.493 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.564 -12.185 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.694 -13.204 -5.654 1.00 0.00 H new