USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 36 LYS NZ :NH3+ -142:sc= 0.446 (180deg=-1.19) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.941 K(o=-0.49,f=-3.4!) USER MOD Single : A 14 SER OG : rot 180:sc= -1.43! USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= 0.899 (180deg=0.144) USER MOD Single : A 18 TYR OH : rot -150:sc= -1.64! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 50:sc= -0.296 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 31 HIS : no HD1:sc= -0.0758 K(o=-0.076,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -170:sc= -1.85! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 45 THR OG1 : rot -81:sc= -0.106! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -132:sc= -0.0451 (180deg=-0.376) USER MOD Single : A 56 THR OG1 : rot -90:sc= -1.32 USER MOD Single : A 58 HIS :FLIP no HE2:sc= 0.246 F(o=-0.97,f=0.25) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -8.73! (180deg=-9.77!) USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= -2.14! (180deg=-2.69!) USER MOD Single : A 82 GLN : amide:sc= -6.75! C(o=-6.8!,f=-22!) USER MOD Single : A 87 GLN : amide:sc= -6.9! C(o=-6.9!,f=-23!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -1.736 -10.914 4.280 1.00 0.00 N ATOM 100 CA VAL A 7 -1.838 -10.253 2.943 1.00 0.00 C ATOM 101 C VAL A 7 -2.435 -8.844 3.062 1.00 0.00 C ATOM 102 O VAL A 7 -1.752 -7.905 3.414 1.00 0.00 O ATOM 103 CB VAL A 7 -2.736 -11.174 2.111 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.102 -10.514 0.794 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.995 -12.461 1.782 1.00 0.00 C ATOM 0 HA VAL A 7 -0.860 -10.118 2.481 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.634 -11.379 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.740 -11.183 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.635 -9.583 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.194 -10.301 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.640 -13.111 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.095 -12.227 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.719 -12.968 2.706 1.00 0.00 H new ATOM 115 N ILE A 8 -3.694 -8.679 2.756 1.00 0.00 N ATOM 116 CA ILE A 8 -4.305 -7.323 2.832 1.00 0.00 C ATOM 117 C ILE A 8 -4.854 -7.048 4.236 1.00 0.00 C ATOM 118 O ILE A 8 -5.895 -7.547 4.611 1.00 0.00 O ATOM 119 CB ILE A 8 -5.442 -7.362 1.813 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.884 -7.712 0.434 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.116 -5.991 1.738 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.007 -8.279 -0.436 1.00 0.00 C ATOM 0 H ILE A 8 -4.324 -9.424 2.457 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.582 -6.533 2.625 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.168 -8.114 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.458 -6.825 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.079 -8.440 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.926 -6.023 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.518 -5.729 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.385 -5.242 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.613 -8.530 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.412 -9.176 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.797 -7.536 -0.540 1.00 0.00 H new ATOM 134 N LEU A 9 -4.165 -6.254 5.009 1.00 0.00 N ATOM 135 CA LEU A 9 -4.650 -5.947 6.386 1.00 0.00 C ATOM 136 C LEU A 9 -5.898 -5.054 6.326 1.00 0.00 C ATOM 137 O LEU A 9 -6.998 -5.528 6.125 1.00 0.00 O ATOM 138 CB LEU A 9 -3.489 -5.217 7.061 1.00 0.00 C ATOM 139 CG LEU A 9 -2.419 -6.229 7.473 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.047 -5.551 7.476 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.730 -6.754 8.876 1.00 0.00 C ATOM 0 H LEU A 9 -3.288 -5.804 4.748 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.936 -6.845 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.064 -4.480 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.847 -4.674 7.936 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.412 -7.058 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.285 -6.273 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.825 -5.175 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.053 -4.721 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.968 -7.476 9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.737 -5.924 9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.707 -7.237 8.875 1.00 0.00 H new ATOM 153 N ALA A 10 -5.740 -3.767 6.501 1.00 0.00 N ATOM 154 CA ALA A 10 -6.924 -2.859 6.457 1.00 0.00 C ATOM 155 C ALA A 10 -6.905 -2.016 5.179 1.00 0.00 C ATOM 156 O ALA A 10 -5.872 -1.846 4.562 1.00 0.00 O ATOM 157 CB ALA A 10 -6.783 -1.967 7.690 1.00 0.00 C ATOM 0 H ALA A 10 -4.846 -3.307 6.672 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.865 -3.410 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.618 -1.268 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.783 -2.585 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.847 -1.411 7.632 1.00 0.00 H new ATOM 163 N PRO A 11 -8.058 -1.516 4.827 1.00 0.00 N ATOM 164 CA PRO A 11 -8.189 -0.676 3.609 1.00 0.00 C ATOM 165 C PRO A 11 -7.612 0.720 3.856 1.00 0.00 C ATOM 166 O PRO A 11 -7.276 1.076 4.968 1.00 0.00 O ATOM 167 CB PRO A 11 -9.696 -0.607 3.385 1.00 0.00 C ATOM 168 CG PRO A 11 -10.305 -0.839 4.731 1.00 0.00 C ATOM 169 CD PRO A 11 -9.338 -1.685 5.523 1.00 0.00 C ATOM 0 HA PRO A 11 -7.651 -1.079 2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.990 0.362 2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.023 -1.362 2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.490 0.108 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.267 -1.343 4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.275 -1.353 6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.646 -2.730 5.542 1.00 0.00 H new ATOM 177 N VAL A 12 -7.493 1.514 2.826 1.00 0.00 N ATOM 178 CA VAL A 12 -6.935 2.887 3.007 1.00 0.00 C ATOM 179 C VAL A 12 -8.000 3.940 2.688 1.00 0.00 C ATOM 180 O VAL A 12 -8.668 3.869 1.676 1.00 0.00 O ATOM 181 CB VAL A 12 -5.768 2.994 2.018 1.00 0.00 C ATOM 182 CG1 VAL A 12 -4.986 1.678 1.981 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.305 3.304 0.617 1.00 0.00 C ATOM 0 H VAL A 12 -7.757 1.273 1.870 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.610 3.058 4.033 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.105 3.796 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.160 1.765 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.594 1.460 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.647 0.870 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.473 3.379 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.975 2.505 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.849 4.248 0.637 1.00 0.00 H new ATOM 193 N LEU A 13 -8.156 4.919 3.529 1.00 0.00 N ATOM 194 CA LEU A 13 -9.168 5.974 3.249 1.00 0.00 C ATOM 195 C LEU A 13 -8.479 7.243 2.743 1.00 0.00 C ATOM 196 O LEU A 13 -7.850 7.962 3.492 1.00 0.00 O ATOM 197 CB LEU A 13 -9.862 6.230 4.585 1.00 0.00 C ATOM 198 CG LEU A 13 -10.791 5.060 4.919 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.638 4.708 3.695 1.00 0.00 C ATOM 200 CD2 LEU A 13 -9.953 3.843 5.323 1.00 0.00 C ATOM 0 H LEU A 13 -7.630 5.036 4.395 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.878 5.671 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.119 6.353 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.433 7.157 4.537 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.446 5.344 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.298 3.875 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.236 5.572 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.985 4.426 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.614 3.009 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.298 3.563 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.351 4.090 6.197 1.00 0.00 H new ATOM 212 N SER A 14 -8.597 7.524 1.474 1.00 0.00 N ATOM 213 CA SER A 14 -7.952 8.747 0.915 1.00 0.00 C ATOM 214 C SER A 14 -8.516 9.045 -0.476 1.00 0.00 C ATOM 215 O SER A 14 -8.758 8.150 -1.262 1.00 0.00 O ATOM 216 CB SER A 14 -6.462 8.413 0.826 1.00 0.00 C ATOM 217 OG SER A 14 -6.191 7.242 1.586 1.00 0.00 O ATOM 0 H SER A 14 -9.113 6.959 0.799 1.00 0.00 H new ATOM 0 HA SER A 14 -8.132 9.627 1.533 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.175 8.259 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.869 9.247 1.200 1.00 0.00 H new ATOM 0 HG SER A 14 -5.236 7.028 1.528 1.00 0.00 H new ATOM 223 N GLU A 15 -8.729 10.294 -0.787 1.00 0.00 N ATOM 224 CA GLU A 15 -9.279 10.643 -2.128 1.00 0.00 C ATOM 225 C GLU A 15 -8.587 9.814 -3.213 1.00 0.00 C ATOM 226 O GLU A 15 -9.215 9.337 -4.138 1.00 0.00 O ATOM 227 CB GLU A 15 -8.969 12.130 -2.310 1.00 0.00 C ATOM 228 CG GLU A 15 -10.251 12.877 -2.682 1.00 0.00 C ATOM 229 CD GLU A 15 -9.960 13.851 -3.825 1.00 0.00 C ATOM 230 OE1 GLU A 15 -8.942 14.518 -3.764 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.762 13.912 -4.742 1.00 0.00 O ATOM 0 H GLU A 15 -8.546 11.087 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.347 10.438 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.550 12.540 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.219 12.263 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.024 12.169 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.633 13.419 -1.817 1.00 0.00 H new ATOM 238 N LYS A 16 -7.299 9.637 -3.107 1.00 0.00 N ATOM 239 CA LYS A 16 -6.569 8.840 -4.129 1.00 0.00 C ATOM 240 C LYS A 16 -7.208 7.457 -4.274 1.00 0.00 C ATOM 241 O LYS A 16 -7.097 6.814 -5.300 1.00 0.00 O ATOM 242 CB LYS A 16 -5.142 8.720 -3.595 1.00 0.00 C ATOM 243 CG LYS A 16 -4.286 7.939 -4.594 1.00 0.00 C ATOM 244 CD LYS A 16 -4.242 6.465 -4.186 1.00 0.00 C ATOM 245 CE LYS A 16 -3.674 5.632 -5.338 1.00 0.00 C ATOM 246 NZ LYS A 16 -4.868 5.109 -6.060 1.00 0.00 N ATOM 0 H LYS A 16 -6.721 10.011 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.596 9.307 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.718 9.711 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.145 8.214 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.699 8.037 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.277 8.349 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.625 6.342 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.243 6.117 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.050 6.239 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.050 4.819 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.672 5.082 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.084 4.149 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.682 5.731 -5.880 1.00 0.00 H new ATOM 260 N ALA A 17 -7.879 6.994 -3.255 1.00 0.00 N ATOM 261 CA ALA A 17 -8.529 5.656 -3.333 1.00 0.00 C ATOM 262 C ALA A 17 -10.025 5.821 -3.612 1.00 0.00 C ATOM 263 O ALA A 17 -10.565 5.226 -4.524 1.00 0.00 O ATOM 264 CB ALA A 17 -8.303 5.022 -1.961 1.00 0.00 C ATOM 0 H ALA A 17 -8.005 7.486 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.119 5.040 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.755 4.030 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.233 4.938 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.760 5.645 -1.192 1.00 0.00 H new ATOM 270 N TYR A 18 -10.698 6.631 -2.840 1.00 0.00 N ATOM 271 CA TYR A 18 -12.155 6.837 -3.073 1.00 0.00 C ATOM 272 C TYR A 18 -12.385 7.273 -4.520 1.00 0.00 C ATOM 273 O TYR A 18 -13.228 6.738 -5.213 1.00 0.00 O ATOM 274 CB TYR A 18 -12.564 7.935 -2.094 1.00 0.00 C ATOM 275 CG TYR A 18 -13.087 7.293 -0.833 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.080 6.311 -0.915 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.575 7.670 0.414 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.564 5.704 0.251 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.058 7.064 1.580 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.053 6.081 1.500 1.00 0.00 C ATOM 281 OH TYR A 18 -14.527 5.484 2.649 1.00 0.00 O ATOM 0 H TYR A 18 -10.303 7.157 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.741 5.931 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.711 8.574 -1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.329 8.571 -2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.474 6.021 -1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.808 8.428 0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.331 4.946 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.663 7.355 2.542 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.468 6.117 3.395 1.00 0.00 H new ATOM 291 N ALA A 19 -11.625 8.224 -4.990 1.00 0.00 N ATOM 292 CA ALA A 19 -11.784 8.668 -6.402 1.00 0.00 C ATOM 293 C ALA A 19 -11.338 7.537 -7.334 1.00 0.00 C ATOM 294 O ALA A 19 -11.552 7.575 -8.530 1.00 0.00 O ATOM 295 CB ALA A 19 -10.871 9.886 -6.548 1.00 0.00 C ATOM 0 H ALA A 19 -10.903 8.711 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.815 8.917 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.936 10.269 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.184 10.661 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.842 9.597 -6.334 1.00 0.00 H new ATOM 301 N GLY A 20 -10.744 6.517 -6.776 1.00 0.00 N ATOM 302 CA GLY A 20 -10.300 5.353 -7.589 1.00 0.00 C ATOM 303 C GLY A 20 -11.371 4.285 -7.451 1.00 0.00 C ATOM 304 O GLY A 20 -11.765 3.648 -8.406 1.00 0.00 O ATOM 0 H GLY A 20 -10.546 6.442 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.171 5.638 -8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.337 4.982 -7.238 1.00 0.00 H new ATOM 308 N PHE A 21 -11.876 4.119 -6.257 1.00 0.00 N ATOM 309 CA PHE A 21 -12.962 3.130 -6.048 1.00 0.00 C ATOM 310 C PHE A 21 -14.010 3.369 -7.128 1.00 0.00 C ATOM 311 O PHE A 21 -14.742 2.484 -7.528 1.00 0.00 O ATOM 312 CB PHE A 21 -13.556 3.471 -4.680 1.00 0.00 C ATOM 313 CG PHE A 21 -12.635 3.049 -3.555 1.00 0.00 C ATOM 314 CD1 PHE A 21 -11.263 2.861 -3.779 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.163 2.860 -2.271 1.00 0.00 C ATOM 316 CE1 PHE A 21 -10.427 2.485 -2.720 1.00 0.00 C ATOM 317 CE2 PHE A 21 -12.325 2.485 -1.216 1.00 0.00 C ATOM 318 CZ PHE A 21 -10.958 2.296 -1.440 1.00 0.00 C ATOM 0 H PHE A 21 -11.581 4.626 -5.423 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.622 2.095 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.739 4.544 -4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.521 2.976 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.852 3.006 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -14.219 3.004 -2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.371 2.341 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.734 2.341 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.312 2.004 -0.625 1.00 0.00 H new ATOM 328 N ALA A 22 -14.074 4.589 -7.587 1.00 0.00 N ATOM 329 CA ALA A 22 -15.054 4.969 -8.632 1.00 0.00 C ATOM 330 C ALA A 22 -15.216 3.844 -9.652 1.00 0.00 C ATOM 331 O ALA A 22 -16.312 3.527 -10.074 1.00 0.00 O ATOM 332 CB ALA A 22 -14.456 6.208 -9.297 1.00 0.00 C ATOM 0 H ALA A 22 -13.473 5.351 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.043 5.159 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.123 6.555 -10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.332 6.996 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.485 5.958 -9.726 1.00 0.00 H new ATOM 338 N GLU A 23 -14.133 3.245 -10.059 1.00 0.00 N ATOM 339 CA GLU A 23 -14.227 2.149 -11.060 1.00 0.00 C ATOM 340 C GLU A 23 -14.281 0.787 -10.363 1.00 0.00 C ATOM 341 O GLU A 23 -14.682 -0.201 -10.945 1.00 0.00 O ATOM 342 CB GLU A 23 -12.957 2.269 -11.903 1.00 0.00 C ATOM 343 CG GLU A 23 -13.118 1.456 -13.189 1.00 0.00 C ATOM 344 CD GLU A 23 -12.793 2.339 -14.396 1.00 0.00 C ATOM 345 OE1 GLU A 23 -12.988 3.539 -14.296 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.354 1.799 -15.398 1.00 0.00 O ATOM 0 H GLU A 23 -13.189 3.467 -9.742 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.129 2.227 -11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.765 3.315 -12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.097 1.909 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.456 0.590 -13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.137 1.076 -13.267 1.00 0.00 H new ATOM 353 N GLY A 24 -13.882 0.725 -9.123 1.00 0.00 N ATOM 354 CA GLY A 24 -13.912 -0.566 -8.399 1.00 0.00 C ATOM 355 C GLY A 24 -12.513 -0.902 -7.879 1.00 0.00 C ATOM 356 O GLY A 24 -12.283 -1.962 -7.331 1.00 0.00 O ATOM 0 H GLY A 24 -13.536 1.518 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.615 -0.511 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.263 -1.357 -9.062 1.00 0.00 H new ATOM 360 N LYS A 25 -11.576 -0.007 -8.043 1.00 0.00 N ATOM 361 CA LYS A 25 -10.194 -0.279 -7.552 1.00 0.00 C ATOM 362 C LYS A 25 -10.107 0.044 -6.059 1.00 0.00 C ATOM 363 O LYS A 25 -10.488 1.115 -5.629 1.00 0.00 O ATOM 364 CB LYS A 25 -9.300 0.667 -8.356 1.00 0.00 C ATOM 365 CG LYS A 25 -9.531 0.447 -9.852 1.00 0.00 C ATOM 366 CD LYS A 25 -8.416 1.128 -10.647 1.00 0.00 C ATOM 367 CE LYS A 25 -8.333 0.510 -12.044 1.00 0.00 C ATOM 368 NZ LYS A 25 -8.074 1.657 -12.957 1.00 0.00 N ATOM 0 H LYS A 25 -11.707 0.898 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.900 -1.321 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.519 1.702 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.253 0.490 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.551 -0.620 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.500 0.852 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.610 2.198 -10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.464 1.012 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.534 -0.229 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.260 -0.001 -12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.004 1.313 -13.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.854 2.341 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.182 2.120 -12.688 1.00 0.00 H new ATOM 382 N TYR A 26 -9.628 -0.868 -5.252 1.00 0.00 N ATOM 383 CA TYR A 26 -9.556 -0.576 -3.791 1.00 0.00 C ATOM 384 C TYR A 26 -8.153 -0.812 -3.219 1.00 0.00 C ATOM 385 O TYR A 26 -7.664 -1.921 -3.165 1.00 0.00 O ATOM 386 CB TYR A 26 -10.571 -1.521 -3.154 1.00 0.00 C ATOM 387 CG TYR A 26 -11.930 -1.286 -3.766 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.612 -0.088 -3.519 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.510 -2.265 -4.583 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.873 0.131 -4.086 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.771 -2.046 -5.151 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.453 -0.848 -4.903 1.00 0.00 C ATOM 393 OH TYR A 26 -15.696 -0.633 -5.462 1.00 0.00 O ATOM 0 H TYR A 26 -9.289 -1.787 -5.536 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.774 0.472 -3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.266 -2.556 -3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.612 -1.356 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.165 0.668 -2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.984 -3.189 -4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.399 1.055 -3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.218 -2.801 -5.781 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.710 0.243 -5.900 1.00 0.00 H new ATOM 403 N THR A 27 -7.526 0.244 -2.776 1.00 0.00 N ATOM 404 CA THR A 27 -6.166 0.155 -2.183 1.00 0.00 C ATOM 405 C THR A 27 -6.244 -0.284 -0.724 1.00 0.00 C ATOM 406 O THR A 27 -6.903 0.332 0.089 1.00 0.00 O ATOM 407 CB THR A 27 -5.620 1.580 -2.277 1.00 0.00 C ATOM 408 OG1 THR A 27 -5.929 2.124 -3.552 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.107 1.567 -2.075 1.00 0.00 C ATOM 0 H THR A 27 -7.912 1.188 -2.802 1.00 0.00 H new ATOM 0 HA THR A 27 -5.537 -0.573 -2.695 1.00 0.00 H new ATOM 0 HB THR A 27 -6.079 2.194 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.580 3.038 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.722 2.585 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.875 1.156 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.642 0.951 -2.845 1.00 0.00 H new ATOM 417 N PHE A 28 -5.571 -1.343 -0.388 1.00 0.00 N ATOM 418 CA PHE A 28 -5.598 -1.827 1.017 1.00 0.00 C ATOM 419 C PHE A 28 -4.183 -1.886 1.591 1.00 0.00 C ATOM 420 O PHE A 28 -3.237 -2.174 0.889 1.00 0.00 O ATOM 421 CB PHE A 28 -6.148 -3.247 0.937 1.00 0.00 C ATOM 422 CG PHE A 28 -7.456 -3.279 0.190 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.631 -2.841 0.812 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.496 -3.770 -1.119 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.846 -2.891 0.123 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.713 -3.823 -1.808 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.888 -3.382 -1.187 1.00 0.00 C ATOM 0 H PHE A 28 -5.001 -1.897 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.193 -1.170 1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.425 -3.893 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.290 -3.643 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.599 -2.465 1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.589 -4.108 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.752 -2.551 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.746 -4.204 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.827 -3.421 -1.719 1.00 0.00 H new ATOM 437 N TRP A 29 -4.033 -1.673 2.870 1.00 0.00 N ATOM 438 CA TRP A 29 -2.680 -1.782 3.478 1.00 0.00 C ATOM 439 C TRP A 29 -2.378 -3.268 3.611 1.00 0.00 C ATOM 440 O TRP A 29 -3.141 -4.010 4.198 1.00 0.00 O ATOM 441 CB TRP A 29 -2.790 -1.121 4.854 1.00 0.00 C ATOM 442 CG TRP A 29 -2.962 0.355 4.694 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.151 1.002 4.709 1.00 0.00 C ATOM 444 CD2 TRP A 29 -1.942 1.379 4.503 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.925 2.356 4.535 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.580 2.638 4.404 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.538 1.339 4.406 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.854 3.814 4.215 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.197 2.522 4.216 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.461 3.757 4.120 1.00 0.00 C ATOM 0 H TRP A 29 -4.785 -1.430 3.515 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.890 -1.307 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.636 -1.538 5.401 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.896 -1.331 5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.118 0.537 4.836 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.662 3.060 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.022 0.393 4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.365 4.763 4.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.274 2.480 4.144 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.108 4.663 3.973 1.00 0.00 H new ATOM 461 N VAL A 30 -1.311 -3.730 3.036 1.00 0.00 N ATOM 462 CA VAL A 30 -1.031 -5.189 3.104 1.00 0.00 C ATOM 463 C VAL A 30 0.429 -5.459 3.421 1.00 0.00 C ATOM 464 O VAL A 30 1.301 -4.676 3.101 1.00 0.00 O ATOM 465 CB VAL A 30 -1.352 -5.709 1.694 1.00 0.00 C ATOM 466 CG1 VAL A 30 -2.592 -5.024 1.156 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.206 -5.384 0.746 1.00 0.00 C ATOM 0 H VAL A 30 -0.626 -3.171 2.527 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.617 -5.671 3.887 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.506 -6.786 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.811 -5.400 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.436 -5.231 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.422 -3.948 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.442 -5.756 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.062 -4.304 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.708 -5.859 1.104 1.00 0.00 H new ATOM 477 N HIS A 31 0.713 -6.589 3.994 1.00 0.00 N ATOM 478 CA HIS A 31 2.127 -6.922 4.256 1.00 0.00 C ATOM 479 C HIS A 31 2.868 -6.750 2.937 1.00 0.00 C ATOM 480 O HIS A 31 2.419 -7.236 1.919 1.00 0.00 O ATOM 481 CB HIS A 31 2.108 -8.386 4.681 1.00 0.00 C ATOM 482 CG HIS A 31 2.889 -8.552 5.956 1.00 0.00 C ATOM 483 ND1 HIS A 31 4.274 -8.526 5.984 1.00 0.00 N ATOM 484 CD2 HIS A 31 2.491 -8.746 7.256 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.658 -8.700 7.262 1.00 0.00 C ATOM 486 NE2 HIS A 31 3.611 -8.839 8.079 1.00 0.00 N ATOM 0 H HIS A 31 0.032 -7.289 4.289 1.00 0.00 H new ATOM 0 HA HIS A 31 2.607 -6.305 5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.081 -8.720 4.826 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.537 -9.009 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.466 -8.816 7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.688 -8.724 7.587 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.628 -8.982 9.089 1.00 0.00 H new ATOM 494 N PRO A 32 3.957 -6.052 2.974 1.00 0.00 N ATOM 495 CA PRO A 32 4.714 -5.817 1.730 1.00 0.00 C ATOM 496 C PRO A 32 5.251 -7.144 1.207 1.00 0.00 C ATOM 497 O PRO A 32 6.425 -7.443 1.303 1.00 0.00 O ATOM 498 CB PRO A 32 5.831 -4.876 2.166 1.00 0.00 C ATOM 499 CG PRO A 32 5.978 -5.118 3.633 1.00 0.00 C ATOM 500 CD PRO A 32 4.597 -5.439 4.140 1.00 0.00 C ATOM 0 HA PRO A 32 4.124 -5.391 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.758 -5.089 1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.577 -3.836 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.666 -5.941 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.384 -4.240 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.627 -6.121 4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.068 -4.544 4.468 1.00 0.00 H new ATOM 508 N LYS A 33 4.378 -7.950 0.679 1.00 0.00 N ATOM 509 CA LYS A 33 4.790 -9.282 0.165 1.00 0.00 C ATOM 510 C LYS A 33 3.566 -10.012 -0.388 1.00 0.00 C ATOM 511 O LYS A 33 3.658 -10.762 -1.339 1.00 0.00 O ATOM 512 CB LYS A 33 5.350 -10.020 1.384 1.00 0.00 C ATOM 513 CG LYS A 33 4.476 -9.732 2.612 1.00 0.00 C ATOM 514 CD LYS A 33 3.954 -11.047 3.191 1.00 0.00 C ATOM 515 CE LYS A 33 5.116 -12.029 3.359 1.00 0.00 C ATOM 516 NZ LYS A 33 4.735 -12.878 4.522 1.00 0.00 N ATOM 0 H LYS A 33 3.385 -7.740 0.580 1.00 0.00 H new ATOM 0 HA LYS A 33 5.523 -9.217 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.379 -11.092 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.375 -9.703 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.054 -9.196 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.641 -9.089 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.474 -10.868 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.197 -11.472 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.258 -12.630 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.053 -11.504 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.483 -13.578 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.613 -12.279 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.843 -13.370 4.315 1.00 0.00 H new ATOM 530 N ALA A 34 2.419 -9.787 0.202 1.00 0.00 N ATOM 531 CA ALA A 34 1.182 -10.457 -0.290 1.00 0.00 C ATOM 532 C ALA A 34 1.171 -10.443 -1.821 1.00 0.00 C ATOM 533 O ALA A 34 0.778 -9.472 -2.434 1.00 0.00 O ATOM 534 CB ALA A 34 0.031 -9.612 0.253 1.00 0.00 C ATOM 0 H ALA A 34 2.288 -9.168 1.002 1.00 0.00 H new ATOM 0 HA ALA A 34 1.111 -11.496 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.918 -10.042 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.073 -9.596 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.115 -8.594 -0.128 1.00 0.00 H new ATOM 540 N THR A 35 1.619 -11.503 -2.437 1.00 0.00 N ATOM 541 CA THR A 35 1.654 -11.547 -3.930 1.00 0.00 C ATOM 542 C THR A 35 0.417 -10.869 -4.523 1.00 0.00 C ATOM 543 O THR A 35 -0.702 -11.177 -4.163 1.00 0.00 O ATOM 544 CB THR A 35 1.670 -13.035 -4.281 1.00 0.00 C ATOM 545 OG1 THR A 35 1.232 -13.791 -3.161 1.00 0.00 O ATOM 546 CG2 THR A 35 3.090 -13.452 -4.658 1.00 0.00 C ATOM 0 H THR A 35 1.963 -12.343 -1.971 1.00 0.00 H new ATOM 0 HA THR A 35 2.519 -11.020 -4.332 1.00 0.00 H new ATOM 0 HB THR A 35 1.003 -13.218 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.390 -14.744 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.103 -14.513 -4.909 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.423 -12.872 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.758 -13.270 -3.816 1.00 0.00 H new ATOM 554 N LYS A 36 0.612 -9.946 -5.431 1.00 0.00 N ATOM 555 CA LYS A 36 -0.555 -9.250 -6.046 1.00 0.00 C ATOM 556 C LYS A 36 -1.659 -10.263 -6.345 1.00 0.00 C ATOM 557 O LYS A 36 -2.833 -9.958 -6.280 1.00 0.00 O ATOM 558 CB LYS A 36 -0.016 -8.629 -7.336 1.00 0.00 C ATOM 559 CG LYS A 36 0.508 -7.220 -7.042 1.00 0.00 C ATOM 560 CD LYS A 36 0.964 -6.557 -8.344 1.00 0.00 C ATOM 561 CE LYS A 36 0.247 -5.214 -8.511 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.237 -5.211 -9.921 1.00 0.00 N ATOM 0 H LYS A 36 1.526 -9.646 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.986 -8.493 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.783 -9.248 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.803 -8.587 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.273 -6.622 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.338 -7.270 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.043 -6.406 -8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.745 -7.206 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.581 -5.118 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.922 -4.379 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.139 -4.255 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.327 -5.880 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.237 -5.496 -9.945 1.00 0.00 H new ATOM 576 N THR A 37 -1.288 -11.477 -6.655 1.00 0.00 N ATOM 577 CA THR A 37 -2.315 -12.519 -6.934 1.00 0.00 C ATOM 578 C THR A 37 -2.984 -12.937 -5.627 1.00 0.00 C ATOM 579 O THR A 37 -4.192 -12.944 -5.510 1.00 0.00 O ATOM 580 CB THR A 37 -1.550 -13.684 -7.533 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.511 -13.195 -8.370 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.504 -14.559 -8.346 1.00 0.00 C ATOM 0 H THR A 37 -0.320 -11.790 -6.727 1.00 0.00 H new ATOM 0 HA THR A 37 -3.097 -12.165 -7.605 1.00 0.00 H new ATOM 0 HB THR A 37 -1.112 -14.279 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.018 -13.950 -8.754 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.953 -15.396 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.292 -14.939 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.948 -13.967 -9.147 1.00 0.00 H new ATOM 590 N GLU A 38 -2.206 -13.274 -4.636 1.00 0.00 N ATOM 591 CA GLU A 38 -2.803 -13.679 -3.332 1.00 0.00 C ATOM 592 C GLU A 38 -3.727 -12.568 -2.837 1.00 0.00 C ATOM 593 O GLU A 38 -4.792 -12.819 -2.307 1.00 0.00 O ATOM 594 CB GLU A 38 -1.614 -13.853 -2.386 1.00 0.00 C ATOM 595 CG GLU A 38 -1.243 -15.335 -2.297 1.00 0.00 C ATOM 596 CD GLU A 38 -0.538 -15.606 -0.968 1.00 0.00 C ATOM 597 OE1 GLU A 38 -0.612 -14.756 -0.096 1.00 0.00 O ATOM 598 OE2 GLU A 38 0.066 -16.659 -0.844 1.00 0.00 O ATOM 0 H GLU A 38 -1.187 -13.287 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.394 -14.592 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.762 -13.275 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.864 -13.470 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.139 -15.950 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.593 -15.608 -3.128 1.00 0.00 H new ATOM 605 N ILE A 39 -3.336 -11.337 -3.026 1.00 0.00 N ATOM 606 CA ILE A 39 -4.199 -10.205 -2.587 1.00 0.00 C ATOM 607 C ILE A 39 -5.558 -10.318 -3.280 1.00 0.00 C ATOM 608 O ILE A 39 -6.578 -9.930 -2.747 1.00 0.00 O ATOM 609 CB ILE A 39 -3.456 -8.946 -3.040 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.216 -8.746 -2.164 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.370 -7.726 -2.909 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.486 -7.472 -2.592 1.00 0.00 C ATOM 0 H ILE A 39 -2.456 -11.067 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.381 -10.193 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.158 -9.061 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.506 -8.676 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.552 -9.606 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.834 -6.834 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.254 -7.865 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.674 -7.609 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.604 -7.331 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.182 -7.560 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.151 -6.616 -2.479 1.00 0.00 H new ATOM 624 N LYS A 40 -5.573 -10.862 -4.466 1.00 0.00 N ATOM 625 CA LYS A 40 -6.855 -11.021 -5.209 1.00 0.00 C ATOM 626 C LYS A 40 -7.801 -11.935 -4.433 1.00 0.00 C ATOM 627 O LYS A 40 -8.967 -11.643 -4.253 1.00 0.00 O ATOM 628 CB LYS A 40 -6.453 -11.691 -6.523 1.00 0.00 C ATOM 629 CG LYS A 40 -7.672 -11.786 -7.440 1.00 0.00 C ATOM 630 CD LYS A 40 -7.622 -13.101 -8.221 1.00 0.00 C ATOM 631 CE LYS A 40 -8.488 -12.983 -9.477 1.00 0.00 C ATOM 632 NZ LYS A 40 -9.582 -13.975 -9.281 1.00 0.00 N ATOM 0 H LYS A 40 -4.747 -11.205 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.369 -10.072 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.663 -11.118 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.052 -12.686 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.588 -11.735 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.689 -10.942 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.593 -13.334 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.978 -13.921 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.885 -11.974 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.912 -13.202 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.220 -13.955 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.174 -14.927 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.117 -13.737 -8.421 1.00 0.00 H new ATOM 646 N ASN A 41 -7.298 -13.047 -3.984 1.00 0.00 N ATOM 647 CA ASN A 41 -8.145 -14.011 -3.227 1.00 0.00 C ATOM 648 C ASN A 41 -8.463 -13.481 -1.824 1.00 0.00 C ATOM 649 O ASN A 41 -9.520 -13.739 -1.284 1.00 0.00 O ATOM 650 CB ASN A 41 -7.305 -15.284 -3.138 1.00 0.00 C ATOM 651 CG ASN A 41 -7.156 -15.897 -4.533 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.971 -16.697 -4.947 1.00 0.00 O ATOM 653 ND2 ASN A 41 -6.142 -15.553 -5.279 1.00 0.00 N ATOM 0 H ASN A 41 -6.327 -13.334 -4.109 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.104 -14.179 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.323 -15.056 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.778 -15.998 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.034 -15.956 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.458 -14.881 -4.931 1.00 0.00 H new ATOM 660 N ALA A 42 -7.557 -12.764 -1.215 1.00 0.00 N ATOM 661 CA ALA A 42 -7.830 -12.257 0.162 1.00 0.00 C ATOM 662 C ALA A 42 -9.096 -11.389 0.178 1.00 0.00 C ATOM 663 O ALA A 42 -9.986 -11.603 0.975 1.00 0.00 O ATOM 664 CB ALA A 42 -6.589 -11.445 0.561 1.00 0.00 C ATOM 0 H ALA A 42 -6.650 -12.509 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.009 -13.070 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.724 -11.043 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.711 -12.091 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.450 -10.624 -0.142 1.00 0.00 H new ATOM 670 N VAL A 43 -9.204 -10.423 -0.692 1.00 0.00 N ATOM 671 CA VAL A 43 -10.444 -9.582 -0.691 1.00 0.00 C ATOM 672 C VAL A 43 -11.652 -10.441 -1.064 1.00 0.00 C ATOM 673 O VAL A 43 -12.751 -10.228 -0.592 1.00 0.00 O ATOM 674 CB VAL A 43 -10.241 -8.479 -1.735 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.447 -7.332 -1.114 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.492 -9.027 -2.953 1.00 0.00 C ATOM 0 H VAL A 43 -8.504 -10.179 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.625 -9.153 0.294 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.216 -8.116 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.302 -6.547 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.995 -6.930 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.477 -7.700 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.356 -8.231 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.518 -9.404 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.068 -9.837 -3.400 1.00 0.00 H new ATOM 686 N GLU A 44 -11.454 -11.413 -1.909 1.00 0.00 N ATOM 687 CA GLU A 44 -12.586 -12.292 -2.318 1.00 0.00 C ATOM 688 C GLU A 44 -13.202 -12.972 -1.091 1.00 0.00 C ATOM 689 O GLU A 44 -14.374 -13.295 -1.072 1.00 0.00 O ATOM 690 CB GLU A 44 -11.963 -13.328 -3.254 1.00 0.00 C ATOM 691 CG GLU A 44 -12.361 -13.015 -4.698 1.00 0.00 C ATOM 692 CD GLU A 44 -13.700 -13.685 -5.015 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.573 -13.652 -4.162 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.829 -14.219 -6.104 1.00 0.00 O ATOM 0 H GLU A 44 -10.555 -11.638 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.387 -11.735 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.878 -13.318 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.299 -14.329 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.439 -11.937 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.592 -13.372 -5.384 1.00 0.00 H new ATOM 701 N THR A 45 -12.422 -13.202 -0.069 1.00 0.00 N ATOM 702 CA THR A 45 -12.974 -13.872 1.149 1.00 0.00 C ATOM 703 C THR A 45 -13.773 -12.874 1.989 1.00 0.00 C ATOM 704 O THR A 45 -14.883 -13.138 2.407 1.00 0.00 O ATOM 705 CB THR A 45 -11.763 -14.345 1.965 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.365 -13.299 2.837 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.591 -14.726 1.049 1.00 0.00 C ATOM 0 H THR A 45 -11.433 -12.958 -0.022 1.00 0.00 H new ATOM 0 HA THR A 45 -13.634 -14.694 0.872 1.00 0.00 H new ATOM 0 HB THR A 45 -12.046 -15.230 2.535 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.813 -12.656 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.748 -15.057 1.655 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.897 -15.532 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.295 -13.860 0.458 1.00 0.00 H new ATOM 715 N ALA A 46 -13.201 -11.733 2.248 1.00 0.00 N ATOM 716 CA ALA A 46 -13.901 -10.708 3.077 1.00 0.00 C ATOM 717 C ALA A 46 -14.872 -9.885 2.224 1.00 0.00 C ATOM 718 O ALA A 46 -16.049 -9.805 2.516 1.00 0.00 O ATOM 719 CB ALA A 46 -12.787 -9.816 3.624 1.00 0.00 C ATOM 0 H ALA A 46 -12.274 -11.463 1.920 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.494 -11.164 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.220 -9.033 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.100 -10.416 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.245 -9.361 2.795 1.00 0.00 H new ATOM 725 N PHE A 47 -14.393 -9.268 1.179 1.00 0.00 N ATOM 726 CA PHE A 47 -15.301 -8.449 0.326 1.00 0.00 C ATOM 727 C PHE A 47 -16.240 -9.361 -0.470 1.00 0.00 C ATOM 728 O PHE A 47 -17.199 -8.914 -1.068 1.00 0.00 O ATOM 729 CB PHE A 47 -14.376 -7.667 -0.609 1.00 0.00 C ATOM 730 CG PHE A 47 -13.664 -6.587 0.175 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.358 -5.839 1.136 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.308 -6.334 -0.060 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.693 -4.841 1.860 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.644 -5.335 0.664 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.337 -4.590 1.624 1.00 0.00 C ATOM 0 H PHE A 47 -13.418 -9.295 0.880 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.933 -7.783 0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.649 -8.339 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.952 -7.223 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.405 -6.032 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.772 -6.910 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.227 -4.265 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.598 -5.140 0.481 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.825 -3.821 2.183 1.00 0.00 H new ATOM 745 N LYS A 48 -15.971 -10.637 -0.473 1.00 0.00 N ATOM 746 CA LYS A 48 -16.842 -11.593 -1.218 1.00 0.00 C ATOM 747 C LYS A 48 -17.234 -11.004 -2.569 1.00 0.00 C ATOM 748 O LYS A 48 -18.386 -11.010 -2.954 1.00 0.00 O ATOM 749 CB LYS A 48 -18.075 -11.786 -0.334 1.00 0.00 C ATOM 750 CG LYS A 48 -17.703 -12.633 0.884 1.00 0.00 C ATOM 751 CD LYS A 48 -18.726 -12.402 1.998 1.00 0.00 C ATOM 752 CE LYS A 48 -20.137 -12.649 1.457 1.00 0.00 C ATOM 753 NZ LYS A 48 -20.872 -13.299 2.577 1.00 0.00 N ATOM 0 H LYS A 48 -15.181 -11.063 0.011 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.338 -12.539 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.460 -10.818 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.869 -12.273 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.677 -13.688 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.704 -12.369 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.524 -13.070 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.643 -11.383 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.615 -11.715 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.115 -13.289 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.849 -13.499 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.398 -14.189 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.883 -12.663 3.400 1.00 0.00 H new ATOM 767 N VAL A 49 -16.281 -10.492 -3.287 1.00 0.00 N ATOM 768 CA VAL A 49 -16.582 -9.897 -4.610 1.00 0.00 C ATOM 769 C VAL A 49 -15.767 -10.601 -5.698 1.00 0.00 C ATOM 770 O VAL A 49 -15.217 -11.664 -5.490 1.00 0.00 O ATOM 771 CB VAL A 49 -16.179 -8.422 -4.448 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.851 -8.115 -5.152 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.280 -7.544 -5.023 1.00 0.00 C ATOM 0 H VAL A 49 -15.299 -10.460 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.625 -9.999 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.043 -8.217 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.601 -7.063 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.062 -8.734 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.946 -8.329 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.004 -6.495 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.415 -7.775 -6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.211 -7.732 -4.489 1.00 0.00 H new ATOM 783 N LYS A 50 -15.675 -10.004 -6.850 1.00 0.00 N ATOM 784 CA LYS A 50 -14.881 -10.626 -7.947 1.00 0.00 C ATOM 785 C LYS A 50 -13.705 -9.723 -8.304 1.00 0.00 C ATOM 786 O LYS A 50 -13.875 -8.656 -8.860 1.00 0.00 O ATOM 787 CB LYS A 50 -15.836 -10.751 -9.134 1.00 0.00 C ATOM 788 CG LYS A 50 -15.326 -11.847 -10.072 1.00 0.00 C ATOM 789 CD LYS A 50 -14.228 -11.276 -10.972 1.00 0.00 C ATOM 790 CE LYS A 50 -14.362 -11.866 -12.378 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.228 -12.825 -12.501 1.00 0.00 N ATOM 0 H LYS A 50 -16.114 -9.113 -7.082 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.477 -11.597 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.840 -10.992 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.902 -9.802 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.938 -12.685 -9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.146 -12.232 -10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.305 -10.190 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.247 -11.510 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.320 -12.369 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.306 -11.088 -13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.251 -13.271 -13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.329 -12.316 -12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.312 -13.557 -11.767 1.00 0.00 H new ATOM 805 N VAL A 51 -12.511 -10.135 -7.985 1.00 0.00 N ATOM 806 CA VAL A 51 -11.330 -9.289 -8.307 1.00 0.00 C ATOM 807 C VAL A 51 -10.978 -9.426 -9.787 1.00 0.00 C ATOM 808 O VAL A 51 -11.174 -10.462 -10.390 1.00 0.00 O ATOM 809 CB VAL A 51 -10.200 -9.831 -7.438 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.940 -8.998 -7.677 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.600 -9.738 -5.964 1.00 0.00 C ATOM 0 H VAL A 51 -12.302 -11.017 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.515 -8.232 -8.116 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.007 -10.872 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.128 -9.381 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.656 -9.061 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.136 -7.958 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.792 -10.125 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.791 -8.697 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.502 -10.325 -5.794 1.00 0.00 H new ATOM 821 N VAL A 52 -10.464 -8.386 -10.376 1.00 0.00 N ATOM 822 CA VAL A 52 -10.104 -8.453 -11.816 1.00 0.00 C ATOM 823 C VAL A 52 -8.775 -7.736 -12.059 1.00 0.00 C ATOM 824 O VAL A 52 -8.363 -7.528 -13.183 1.00 0.00 O ATOM 825 CB VAL A 52 -11.249 -7.744 -12.536 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.144 -6.237 -12.327 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.169 -8.039 -14.023 1.00 0.00 C ATOM 0 H VAL A 52 -10.278 -7.492 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.975 -9.476 -12.170 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.196 -8.102 -12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.965 -5.740 -12.844 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.198 -6.013 -11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.195 -5.880 -12.726 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.986 -7.534 -14.539 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.216 -7.681 -14.414 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.247 -9.114 -14.185 1.00 0.00 H new ATOM 837 N LYS A 53 -8.099 -7.361 -11.008 1.00 0.00 N ATOM 838 CA LYS A 53 -6.790 -6.661 -11.161 1.00 0.00 C ATOM 839 C LYS A 53 -6.353 -6.074 -9.820 1.00 0.00 C ATOM 840 O LYS A 53 -7.017 -5.225 -9.257 1.00 0.00 O ATOM 841 CB LYS A 53 -7.040 -5.546 -12.176 1.00 0.00 C ATOM 842 CG LYS A 53 -6.344 -5.894 -13.491 1.00 0.00 C ATOM 843 CD LYS A 53 -5.600 -4.665 -14.018 1.00 0.00 C ATOM 844 CE LYS A 53 -6.450 -3.972 -15.084 1.00 0.00 C ATOM 845 NZ LYS A 53 -6.332 -4.836 -16.291 1.00 0.00 N ATOM 0 H LYS A 53 -8.398 -7.510 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.000 -7.336 -11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.110 -5.421 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.664 -4.598 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.646 -6.717 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.077 -6.230 -14.224 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.390 -3.976 -13.200 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.640 -4.961 -14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.488 -3.881 -14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.088 -2.963 -15.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.114 -4.247 -17.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.570 -5.529 -16.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.230 -5.336 -16.449 1.00 0.00 H new ATOM 859 N VAL A 54 -5.243 -6.516 -9.302 1.00 0.00 N ATOM 860 CA VAL A 54 -4.769 -5.978 -7.997 1.00 0.00 C ATOM 861 C VAL A 54 -3.475 -5.182 -8.194 1.00 0.00 C ATOM 862 O VAL A 54 -2.459 -5.719 -8.590 1.00 0.00 O ATOM 863 CB VAL A 54 -4.549 -7.217 -7.106 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.206 -7.134 -6.366 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.671 -7.292 -6.073 1.00 0.00 C ATOM 0 H VAL A 54 -4.644 -7.225 -9.724 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.482 -5.290 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.546 -8.102 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.077 -8.021 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.394 -7.078 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.192 -6.245 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.523 -8.166 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.661 -6.391 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.631 -7.372 -6.583 1.00 0.00 H new ATOM 875 N ASN A 55 -3.502 -3.913 -7.905 1.00 0.00 N ATOM 876 CA ASN A 55 -2.272 -3.094 -8.057 1.00 0.00 C ATOM 877 C ASN A 55 -1.835 -2.577 -6.691 1.00 0.00 C ATOM 878 O ASN A 55 -2.529 -1.811 -6.060 1.00 0.00 O ATOM 879 CB ASN A 55 -2.668 -1.937 -8.974 1.00 0.00 C ATOM 880 CG ASN A 55 -3.333 -2.488 -10.237 1.00 0.00 C ATOM 881 OD1 ASN A 55 -3.196 -3.654 -10.550 1.00 0.00 O ATOM 882 ND2 ASN A 55 -4.052 -1.692 -10.981 1.00 0.00 N ATOM 0 H ASN A 55 -4.323 -3.408 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.439 -3.661 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.351 -1.265 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.787 -1.352 -9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.499 -2.049 -11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.167 -0.713 -10.718 1.00 0.00 H new ATOM 889 N THR A 56 -0.692 -2.989 -6.226 1.00 0.00 N ATOM 890 CA THR A 56 -0.229 -2.517 -4.892 1.00 0.00 C ATOM 891 C THR A 56 1.030 -1.661 -5.047 1.00 0.00 C ATOM 892 O THR A 56 1.643 -1.626 -6.096 1.00 0.00 O ATOM 893 CB THR A 56 0.065 -3.778 -4.046 1.00 0.00 C ATOM 894 OG1 THR A 56 1.404 -3.726 -3.576 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.130 -5.062 -4.863 1.00 0.00 C ATOM 0 H THR A 56 -0.060 -3.629 -6.708 1.00 0.00 H new ATOM 0 HA THR A 56 -0.985 -1.900 -4.407 1.00 0.00 H new ATOM 0 HB THR A 56 -0.634 -3.795 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.996 -4.159 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.085 -5.928 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.160 -5.116 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.546 -5.055 -5.718 1.00 0.00 H new ATOM 903 N LEU A 57 1.414 -0.961 -4.015 1.00 0.00 N ATOM 904 CA LEU A 57 2.625 -0.097 -4.111 1.00 0.00 C ATOM 905 C LEU A 57 3.185 0.199 -2.715 1.00 0.00 C ATOM 906 O LEU A 57 2.500 0.067 -1.721 1.00 0.00 O ATOM 907 CB LEU A 57 2.131 1.188 -4.777 1.00 0.00 C ATOM 908 CG LEU A 57 1.216 1.944 -3.814 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.978 3.120 -3.199 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.001 2.471 -4.577 1.00 0.00 C ATOM 0 H LEU A 57 0.943 -0.950 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 57 3.429 -0.571 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.978 1.814 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.593 0.951 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 57 0.888 1.271 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.324 3.658 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.846 2.747 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.307 3.794 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.655 3.010 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.329 3.144 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.546 1.635 -5.015 1.00 0.00 H new ATOM 922 N HIS A 58 4.426 0.600 -2.635 1.00 0.00 N ATOM 923 CA HIS A 58 5.030 0.907 -1.305 1.00 0.00 C ATOM 924 C HIS A 58 4.513 2.250 -0.792 1.00 0.00 C ATOM 925 O HIS A 58 4.514 3.240 -1.496 1.00 0.00 O ATOM 926 CB HIS A 58 6.537 0.969 -1.555 1.00 0.00 C ATOM 927 CG HIS A 58 7.277 0.610 -0.293 1.00 0.00 C ATOM 928 ND1 HIS A 58 6.919 0.666 1.033 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 8.573 0.119 -0.313 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 7.974 0.219 1.822 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 8.945 -0.098 0.961 1.00 0.00 N flip ATOM 0 H HIS A 58 5.048 0.728 -3.433 1.00 0.00 H new ATOM 0 HA HIS A 58 4.776 0.160 -0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.811 0.283 -2.356 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.820 1.970 -1.882 1.00 0.00 H new ATOM 0 HD1 HIS A 58 6.017 0.987 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.175 -0.057 -1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.002 0.144 2.899 1.00 0.00 H new ATOM 939 N VAL A 59 4.066 2.286 0.430 1.00 0.00 N ATOM 940 CA VAL A 59 3.540 3.560 1.001 1.00 0.00 C ATOM 941 C VAL A 59 4.341 3.962 2.241 1.00 0.00 C ATOM 942 O VAL A 59 4.676 3.138 3.068 1.00 0.00 O ATOM 943 CB VAL A 59 2.077 3.285 1.379 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.165 3.734 0.236 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.857 1.790 1.643 1.00 0.00 C ATOM 0 H VAL A 59 4.041 1.486 1.062 1.00 0.00 H new ATOM 0 HA VAL A 59 3.621 4.378 0.285 1.00 0.00 H new ATOM 0 HB VAL A 59 1.842 3.840 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.126 3.540 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.301 4.801 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.417 3.182 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.814 1.617 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.101 1.222 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.499 1.467 2.463 1.00 0.00 H new ATOM 1245 N ARG A 76 5.541 -0.249 4.248 1.00 0.00 N ATOM 1246 CA ARG A 76 4.062 -0.404 4.137 1.00 0.00 C ATOM 1247 C ARG A 76 3.674 -0.647 2.678 1.00 0.00 C ATOM 1248 O ARG A 76 4.168 0.003 1.780 1.00 0.00 O ATOM 1249 CB ARG A 76 3.480 0.917 4.638 1.00 0.00 C ATOM 1250 CG ARG A 76 3.107 0.777 6.112 1.00 0.00 C ATOM 1251 CD ARG A 76 4.292 0.186 6.877 1.00 0.00 C ATOM 1252 NE ARG A 76 3.805 0.019 8.274 1.00 0.00 N ATOM 1253 CZ ARG A 76 3.162 -1.065 8.616 1.00 0.00 C ATOM 1254 NH1 ARG A 76 3.766 -2.221 8.580 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.915 -0.992 8.993 1.00 0.00 N ATOM 0 HA ARG A 76 3.689 -1.250 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.206 1.720 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.601 1.186 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.840 1.749 6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.233 0.135 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.601 -0.768 6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.157 0.848 6.837 1.00 0.00 H new ATOM 0 HE ARG A 76 3.974 0.751 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.741 -2.278 8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.264 -3.067 8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.443 -0.088 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.413 -1.839 9.260 1.00 0.00 H new ATOM 1269 N LYS A 77 2.799 -1.581 2.431 1.00 0.00 N ATOM 1270 CA LYS A 77 2.392 -1.857 1.025 1.00 0.00 C ATOM 1271 C LYS A 77 0.879 -1.715 0.865 1.00 0.00 C ATOM 1272 O LYS A 77 0.106 -2.307 1.592 1.00 0.00 O ATOM 1273 CB LYS A 77 2.827 -3.299 0.760 1.00 0.00 C ATOM 1274 CG LYS A 77 2.145 -3.813 -0.508 1.00 0.00 C ATOM 1275 CD LYS A 77 2.452 -5.301 -0.688 1.00 0.00 C ATOM 1276 CE LYS A 77 1.559 -5.878 -1.788 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.302 -7.285 -1.372 1.00 0.00 N ATOM 0 H LYS A 77 2.350 -2.163 3.138 1.00 0.00 H new ATOM 0 HA LYS A 77 2.847 -1.157 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.910 -3.349 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.565 -3.931 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.068 -3.659 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.495 -3.252 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.502 -5.438 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.284 -5.834 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.629 -5.316 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.052 -5.837 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.033 -7.849 -2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.163 -7.684 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.530 -7.306 -0.675 1.00 0.00 H new ATOM 1291 N LYS A 78 0.452 -0.943 -0.095 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.009 -0.770 -0.321 1.00 0.00 C ATOM 1293 C LYS A 78 -1.436 -1.640 -1.504 1.00 0.00 C ATOM 1294 O LYS A 78 -0.664 -1.871 -2.409 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.188 0.714 -0.648 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.430 1.498 0.645 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.369 2.675 0.367 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.908 3.416 -0.892 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.974 4.422 -1.158 1.00 0.00 N ATOM 0 H LYS A 78 1.054 -0.423 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.611 -1.063 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.302 1.095 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.028 0.848 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.864 0.845 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.483 1.862 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.390 2.316 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.377 3.355 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.942 3.896 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.792 2.732 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.222 4.406 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.816 4.194 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.629 5.369 -0.901 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.644 -2.142 -1.505 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.075 -3.009 -2.644 1.00 0.00 C ATOM 1315 C ALA A 79 -4.375 -2.523 -3.271 1.00 0.00 C ATOM 1316 O ALA A 79 -5.411 -2.501 -2.638 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.314 -4.378 -2.040 1.00 0.00 C ATOM 0 H ALA A 79 -3.343 -1.992 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.318 -3.004 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.634 -5.069 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.391 -4.743 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.089 -4.309 -1.277 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.334 -2.176 -4.525 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.571 -1.726 -5.211 1.00 0.00 C ATOM 1325 C ILE A 80 -6.188 -2.891 -5.983 1.00 0.00 C ATOM 1326 O ILE A 80 -5.652 -3.345 -6.971 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.109 -0.634 -6.166 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.207 0.340 -5.411 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.326 0.115 -6.713 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.797 1.469 -6.348 1.00 0.00 C ATOM 0 H ILE A 80 -3.495 -2.185 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.330 -1.365 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.558 -1.079 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.731 0.743 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.324 -0.178 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.995 0.897 -7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.973 -0.582 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.878 0.565 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.153 2.168 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.258 1.056 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.687 1.991 -6.700 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.310 -3.376 -5.541 1.00 0.00 N ATOM 1343 CA VAL A 81 -7.958 -4.513 -6.251 1.00 0.00 C ATOM 1344 C VAL A 81 -9.175 -4.012 -7.025 1.00 0.00 C ATOM 1345 O VAL A 81 -9.991 -3.280 -6.501 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.385 -5.475 -5.142 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.897 -6.778 -5.757 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.184 -5.776 -4.240 1.00 0.00 C ATOM 0 H VAL A 81 -7.808 -3.036 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.294 -4.992 -6.971 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.180 -5.017 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.200 -7.461 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.752 -6.566 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.105 -7.238 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.486 -6.462 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.390 -6.232 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.820 -4.849 -3.797 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.318 -4.398 -8.263 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.492 -3.935 -9.035 1.00 0.00 C ATOM 1360 C GLN A 82 -11.408 -5.109 -9.294 1.00 0.00 C ATOM 1361 O GLN A 82 -10.975 -6.241 -9.353 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.935 -3.409 -10.352 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.070 -3.241 -11.364 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.989 -2.102 -10.923 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.547 -1.147 -10.316 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -13.262 -2.162 -11.207 1.00 0.00 N ATOM 0 H GLN A 82 -8.675 -5.010 -8.766 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.061 -3.170 -8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.435 -2.454 -10.190 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.187 -4.099 -10.742 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.661 -3.029 -12.352 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.637 -4.168 -11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.634 -2.964 -11.717 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.885 -1.407 -10.919 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.663 -4.863 -9.465 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.561 -5.994 -9.739 1.00 0.00 C ATOM 1377 C VAL A 83 -14.133 -5.863 -11.140 1.00 0.00 C ATOM 1378 O VAL A 83 -14.212 -4.787 -11.698 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.667 -5.939 -8.691 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.062 -5.633 -7.319 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.670 -4.850 -9.066 1.00 0.00 C ATOM 0 H VAL A 83 -13.100 -3.942 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.036 -6.948 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.176 -6.902 -8.651 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.855 -5.594 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.350 -6.415 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.549 -4.672 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.461 -4.810 -8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.162 -3.887 -9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.104 -5.075 -10.040 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.527 -6.951 -11.709 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.094 -6.905 -13.076 1.00 0.00 C ATOM 1393 C ALA A 84 -16.177 -5.832 -13.166 1.00 0.00 C ATOM 1394 O ALA A 84 -16.479 -5.165 -12.196 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.678 -8.290 -13.282 1.00 0.00 C ATOM 0 H ALA A 84 -14.482 -7.879 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.353 -6.654 -13.835 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.124 -8.353 -14.275 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.888 -9.035 -13.192 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.442 -8.478 -12.528 1.00 0.00 H new ATOM 1401 N PRO A 85 -16.719 -5.703 -14.339 1.00 0.00 N ATOM 1402 CA PRO A 85 -17.779 -4.700 -14.588 1.00 0.00 C ATOM 1403 C PRO A 85 -19.091 -5.130 -13.928 1.00 0.00 C ATOM 1404 O PRO A 85 -19.433 -6.295 -13.902 1.00 0.00 O ATOM 1405 CB PRO A 85 -17.906 -4.684 -16.108 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.408 -6.014 -16.555 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.397 -6.480 -15.537 1.00 0.00 C ATOM 0 HA PRO A 85 -17.546 -3.718 -14.177 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.940 -4.527 -16.415 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.318 -3.876 -16.544 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.230 -6.725 -16.634 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.953 -5.942 -17.543 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.480 -7.551 -15.353 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.377 -6.293 -15.872 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.825 -4.194 -13.393 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.114 -4.542 -12.731 1.00 0.00 C ATOM 1417 C GLY A 86 -20.888 -4.705 -11.226 1.00 0.00 C ATOM 1418 O GLY A 86 -21.724 -4.344 -10.422 1.00 0.00 O ATOM 0 H GLY A 86 -19.588 -3.202 -13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.852 -3.762 -12.916 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.513 -5.465 -13.151 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.766 -5.249 -10.839 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.492 -5.439 -9.386 1.00 0.00 C ATOM 1424 C GLN A 87 -19.001 -4.134 -8.755 1.00 0.00 C ATOM 1425 O GLN A 87 -18.753 -3.157 -9.432 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.398 -6.502 -9.326 1.00 0.00 C ATOM 1427 CG GLN A 87 -19.034 -7.885 -9.445 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.238 -8.889 -8.611 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.085 -8.661 -8.304 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.808 -9.999 -8.229 1.00 0.00 N ATOM 0 H GLN A 87 -19.028 -5.570 -11.466 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.386 -5.736 -8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.680 -6.348 -10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.847 -6.421 -8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.068 -7.851 -9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.054 -8.199 -10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.776 -10.190 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.285 -10.675 -7.672 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.856 -4.118 -7.459 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.379 -2.883 -6.773 1.00 0.00 C ATOM 1441 C LYS A 88 -18.301 -3.114 -5.261 1.00 0.00 C ATOM 1442 O LYS A 88 -19.271 -2.950 -4.548 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.427 -1.819 -7.100 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.817 -2.340 -6.734 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.706 -2.348 -7.979 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.035 -0.909 -8.383 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.407 -0.666 -7.854 1.00 0.00 N ATOM 0 H LYS A 88 -19.048 -4.908 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.382 -2.587 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.214 -0.903 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.388 -1.570 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -20.742 -3.346 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.261 -1.711 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.199 -2.859 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.625 -2.900 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -21.318 -0.206 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -22.001 -0.785 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.704 0.302 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.069 -1.346 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.407 -0.784 -6.821 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.155 -3.496 -4.765 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.021 -3.738 -3.298 1.00 0.00 C ATOM 1463 C ILE A 89 -17.728 -2.626 -2.516 1.00 0.00 C ATOM 1464 O ILE A 89 -17.205 -1.542 -2.344 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.515 -3.721 -3.028 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.853 -4.883 -3.776 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.264 -3.873 -1.526 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.407 -5.049 -3.301 1.00 0.00 C ATOM 0 H ILE A 89 -16.307 -3.651 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.475 -4.679 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.093 -2.777 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.410 -5.804 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.874 -4.695 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.191 -3.861 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.738 -3.049 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.684 -4.818 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.941 -5.876 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.852 -4.132 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.397 -5.257 -2.231 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.919 -2.887 -2.048 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.672 -1.850 -1.284 1.00 0.00 C ATOM 1482 C GLU A 90 -19.103 -1.698 0.130 1.00 0.00 C ATOM 1483 O GLU A 90 -19.400 -0.749 0.829 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.110 -2.369 -1.227 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.622 -2.612 -2.648 1.00 0.00 C ATOM 1486 CD GLU A 90 -23.036 -2.043 -2.786 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.167 -0.830 -2.778 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.962 -2.828 -2.896 1.00 0.00 O ATOM 0 H GLU A 90 -19.405 -3.777 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.605 -0.869 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.152 -3.294 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.748 -1.647 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.957 -2.140 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.625 -3.680 -2.867 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.295 -2.626 0.562 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.721 -2.532 1.934 1.00 0.00 C ATOM 1497 C ALA A 91 -17.001 -1.193 2.124 1.00 0.00 C ATOM 1498 O ALA A 91 -16.845 -0.714 3.229 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.729 -3.691 2.031 1.00 0.00 C ATOM 0 H ALA A 91 -18.007 -3.444 0.025 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.491 -2.587 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.263 -3.689 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.255 -4.634 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.961 -3.577 1.266 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.564 -0.582 1.056 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.859 0.731 1.187 1.00 0.00 C ATOM 1507 C LEU A 92 -16.782 1.856 0.725 1.00 0.00 C ATOM 1508 O LEU A 92 -16.621 3.000 1.101 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.623 0.662 0.272 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.244 -0.792 -0.020 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.922 -0.833 -0.790 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.088 -1.549 1.300 1.00 0.00 C ATOM 0 H LEU A 92 -16.663 -0.931 0.103 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.573 0.926 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.827 1.184 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.785 1.173 0.746 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.026 -1.258 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.654 -1.869 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.031 -0.292 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.138 -0.368 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.818 -2.585 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.305 -1.081 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.029 -1.521 1.849 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.744 1.540 -0.094 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.675 2.591 -0.588 1.00 0.00 C ATOM 1526 C GLU A 93 -19.418 3.234 0.587 1.00 0.00 C ATOM 1527 O GLU A 93 -19.894 4.349 0.498 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.652 1.858 -1.507 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.882 1.216 -2.662 1.00 0.00 C ATOM 1530 CD GLU A 93 -18.188 2.306 -3.480 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -18.880 3.022 -4.185 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -16.976 2.409 -3.388 1.00 0.00 O ATOM 0 H GLU A 93 -17.926 0.599 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.153 3.393 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.192 1.094 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.396 2.554 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.145 0.512 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.563 0.648 -3.296 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.521 2.539 1.687 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.233 3.109 2.865 1.00 0.00 C ATOM 1541 C GLY A 94 -19.221 3.449 3.960 1.00 0.00 C ATOM 1542 O GLY A 94 -19.496 4.228 4.851 1.00 0.00 O ATOM 0 H GLY A 94 -19.143 1.601 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.782 4.004 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.965 2.394 3.241 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.052 2.872 3.901 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.024 3.166 4.942 1.00 0.00 C ATOM 1548 C LEU A 95 -16.861 4.679 5.109 1.00 0.00 C ATOM 1549 O LEU A 95 -16.387 5.153 6.123 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.734 2.539 4.412 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.662 2.569 5.503 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.252 2.052 6.816 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.488 1.678 5.087 1.00 0.00 C ATOM 0 H LEU A 95 -17.764 2.211 3.179 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.297 2.768 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.919 1.512 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.388 3.083 3.533 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.313 3.593 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.487 2.074 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.089 2.684 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.601 1.029 6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -12.723 1.698 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.838 0.655 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.066 2.046 4.152 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.251 5.441 4.124 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.118 6.922 4.228 1.00 0.00 C ATOM 1567 C ILE A 96 -17.907 7.439 5.435 1.00 0.00 C ATOM 1568 O ILE A 96 -19.071 7.091 5.550 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.713 7.465 2.928 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.819 7.063 1.753 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.799 8.990 3.003 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.645 7.043 0.465 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.333 8.175 6.221 1.00 0.00 O ATOM 0 H ILE A 96 -17.656 5.102 3.251 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.083 7.236 4.365 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.712 7.052 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.991 7.765 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.384 6.080 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.223 9.377 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.434 9.278 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.801 9.404 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.008 6.757 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.458 6.323 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.059 8.035 0.283 1.00 0.00 H new