USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 837 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 48 LYS NZ :NH3+ 130:sc= 1.79 (180deg=0.184) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0.0772 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.879 K(o=-0.88,f=-2!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.02 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0.115 (180deg=0.0802) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.18 F(o=-0.78,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 141:sc= 0.91 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -1.22 (180deg=-2.86!) USER MOD Single : A 43 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.028) USER MOD Single : A 44 SER OG : rot 69:sc= 0.977 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.3) USER MOD Single : A 63 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.3!) USER MOD Single : A 67 SER OG : rot -74:sc= 0.245 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 76 THR OG1 : rot 93:sc= 0.436 USER MOD Single : A 78 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= 0.421 (180deg=-0.226) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.654 F(o=-3.5!,f=-0.65) USER MOD Single : A 85 LYS NZ :NH3+ 156:sc= -0.125 (180deg=-0.898) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -1.75 F(o=-3.6!,f=-1.8) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0336) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.401 K(o=-0.4,f=-1.9) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0351 F(o=-1.8!,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.420 -2.094 8.657 1.00 0.20 N ATOM 37 CA LYS A 3 -1.450 -3.154 9.083 1.00 0.18 C ATOM 38 C LYS A 3 -0.059 -2.796 8.550 1.00 0.15 C ATOM 39 O LYS A 3 0.112 -2.541 7.374 1.00 0.16 O ATOM 40 CB LYS A 3 -1.894 -4.495 8.479 1.00 0.19 C ATOM 41 CG LYS A 3 -1.034 -5.654 9.022 1.00 0.20 C ATOM 42 CD LYS A 3 -1.606 -6.163 10.354 1.00 0.81 C ATOM 43 CE LYS A 3 -0.710 -7.276 10.903 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.235 -7.742 12.218 1.00 1.67 N ATOM 0 HA LYS A 3 -1.420 -3.226 10.170 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.943 -4.674 8.713 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.813 -4.454 7.393 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.006 -6.467 8.296 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.007 -5.318 9.164 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.668 -5.345 11.071 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.619 -6.537 10.208 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.675 -8.108 10.199 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.311 -6.911 11.017 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.624 -8.498 12.588 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.247 -6.947 12.889 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.201 -8.107 12.097 1.00 1.67 H new ATOM 58 N GLN A 4 0.942 -2.795 9.397 1.00 0.15 N ATOM 59 CA GLN A 4 2.326 -2.473 8.926 1.00 0.14 C ATOM 60 C GLN A 4 3.069 -3.789 8.688 1.00 0.12 C ATOM 61 O GLN A 4 3.218 -4.597 9.583 1.00 0.13 O ATOM 62 CB GLN A 4 3.057 -1.652 10.000 1.00 0.16 C ATOM 63 CG GLN A 4 4.474 -1.297 9.523 1.00 0.17 C ATOM 64 CD GLN A 4 5.223 -0.571 10.644 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.846 -0.656 11.795 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.283 0.136 10.355 1.00 0.31 N ATOM 0 H GLN A 4 0.861 -3.003 10.392 1.00 0.15 H new ATOM 0 HA GLN A 4 2.286 -1.892 8.005 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.499 -0.741 10.214 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.110 -2.220 10.929 1.00 0.16 H new ATOM 0 HG2 GLN A 4 5.011 -2.202 9.239 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.423 -0.665 8.636 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.600 0.208 9.388 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.793 0.616 11.096 1.00 0.31 H new ATOM 75 N ILE A 5 3.545 -4.007 7.493 1.00 0.10 N ATOM 76 CA ILE A 5 4.286 -5.267 7.192 1.00 0.10 C ATOM 77 C ILE A 5 5.782 -4.976 7.228 1.00 0.10 C ATOM 78 O ILE A 5 6.298 -4.259 6.395 1.00 0.11 O ATOM 79 CB ILE A 5 3.911 -5.738 5.793 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.384 -5.831 5.654 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.542 -7.100 5.530 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.794 -6.663 6.799 1.00 0.19 C ATOM 0 H ILE A 5 3.453 -3.363 6.707 1.00 0.10 H new ATOM 0 HA ILE A 5 4.034 -6.034 7.924 1.00 0.10 H new ATOM 0 HB ILE A 5 4.283 -5.019 5.063 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.950 -4.831 5.661 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.126 -6.284 4.696 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.274 -7.438 4.529 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.626 -7.020 5.608 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.178 -7.818 6.265 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.711 -6.720 6.687 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.215 -7.668 6.773 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.036 -6.193 7.752 1.00 0.19 H new ATOM 94 N GLU A 6 6.488 -5.525 8.181 1.00 0.11 N ATOM 95 CA GLU A 6 7.955 -5.269 8.262 1.00 0.13 C ATOM 96 C GLU A 6 8.722 -6.417 7.599 1.00 0.12 C ATOM 97 O GLU A 6 9.936 -6.407 7.552 1.00 0.13 O ATOM 98 CB GLU A 6 8.371 -5.161 9.729 1.00 0.15 C ATOM 99 CG GLU A 6 7.617 -4.008 10.402 1.00 0.17 C ATOM 100 CD GLU A 6 8.139 -2.664 9.886 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.270 -2.330 10.199 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.395 -1.989 9.192 1.00 2.25 O ATOM 0 H GLU A 6 6.113 -6.138 8.905 1.00 0.11 H new ATOM 0 HA GLU A 6 8.186 -4.338 7.745 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.159 -6.097 10.246 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.446 -4.995 9.800 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.550 -4.094 10.199 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.742 -4.064 11.483 1.00 0.17 H new ATOM 109 N SER A 7 8.040 -7.410 7.081 1.00 0.12 N ATOM 110 CA SER A 7 8.773 -8.542 6.428 1.00 0.13 C ATOM 111 C SER A 7 7.903 -9.213 5.369 1.00 0.12 C ATOM 112 O SER A 7 6.690 -9.172 5.425 1.00 0.12 O ATOM 113 CB SER A 7 9.135 -9.586 7.483 1.00 0.15 C ATOM 114 OG SER A 7 7.941 -10.071 8.084 1.00 0.15 O ATOM 0 H SER A 7 7.023 -7.487 7.081 1.00 0.12 H new ATOM 0 HA SER A 7 9.670 -8.141 5.956 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.687 -10.407 7.026 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.786 -9.147 8.239 1.00 0.15 H new ATOM 0 HG SER A 7 8.165 -10.743 8.761 1.00 0.15 H new ATOM 120 N LYS A 8 8.522 -9.864 4.420 1.00 0.14 N ATOM 121 CA LYS A 8 7.744 -10.575 3.371 1.00 0.15 C ATOM 122 C LYS A 8 6.969 -11.703 4.033 1.00 0.15 C ATOM 123 O LYS A 8 5.884 -12.062 3.621 1.00 0.16 O ATOM 124 CB LYS A 8 8.689 -11.169 2.328 1.00 0.18 C ATOM 125 CG LYS A 8 7.871 -11.631 1.116 1.00 0.21 C ATOM 126 CD LYS A 8 8.694 -12.596 0.256 1.00 0.43 C ATOM 127 CE LYS A 8 9.839 -11.842 -0.416 1.00 0.80 C ATOM 128 NZ LYS A 8 10.511 -12.739 -1.398 1.00 1.65 N ATOM 0 H LYS A 8 9.536 -9.932 4.328 1.00 0.14 H new ATOM 0 HA LYS A 8 7.067 -9.876 2.880 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.427 -10.427 2.023 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.238 -12.009 2.753 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.957 -12.121 1.451 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.571 -10.768 0.521 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.090 -13.401 0.875 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.058 -13.058 -0.499 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.458 -10.953 -0.919 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.555 -11.502 0.333 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.362 -12.271 -1.770 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.782 -13.627 -0.929 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.859 -12.946 -2.181 1.00 1.65 H new ATOM 142 N THR A 9 7.537 -12.275 5.058 1.00 0.15 N ATOM 143 CA THR A 9 6.853 -13.399 5.747 1.00 0.17 C ATOM 144 C THR A 9 5.473 -12.936 6.194 1.00 0.16 C ATOM 145 O THR A 9 4.477 -13.594 5.964 1.00 0.17 O ATOM 146 CB THR A 9 7.668 -13.815 6.973 1.00 0.19 C ATOM 147 OG1 THR A 9 8.980 -14.179 6.568 1.00 0.22 O ATOM 148 CG2 THR A 9 6.990 -14.999 7.662 1.00 0.23 C ATOM 0 H THR A 9 8.443 -12.012 5.446 1.00 0.15 H new ATOM 0 HA THR A 9 6.760 -14.247 5.069 1.00 0.17 H new ATOM 0 HB THR A 9 7.726 -12.981 7.672 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.503 -14.444 7.353 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.572 -15.294 8.535 1.00 0.23 H new ATOM 0 HG22 THR A 9 5.986 -14.712 7.975 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.928 -15.837 6.968 1.00 0.23 H new ATOM 156 N ALA A 10 5.407 -11.801 6.815 1.00 0.15 N ATOM 157 CA ALA A 10 4.095 -11.274 7.261 1.00 0.15 C ATOM 158 C ALA A 10 3.289 -10.838 6.037 1.00 0.14 C ATOM 159 O ALA A 10 2.077 -10.877 6.036 1.00 0.15 O ATOM 160 CB ALA A 10 4.314 -10.086 8.200 1.00 0.17 C ATOM 0 H ALA A 10 6.209 -11.211 7.035 1.00 0.15 H new ATOM 0 HA ALA A 10 3.545 -12.049 7.796 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.349 -9.699 8.528 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.889 -10.409 9.068 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.860 -9.303 7.674 1.00 0.17 H new ATOM 166 N PHE A 11 3.954 -10.418 4.992 1.00 0.14 N ATOM 167 CA PHE A 11 3.217 -9.974 3.772 1.00 0.13 C ATOM 168 C PHE A 11 2.376 -11.127 3.250 1.00 0.14 C ATOM 169 O PHE A 11 1.225 -10.969 2.894 1.00 0.14 O ATOM 170 CB PHE A 11 4.235 -9.577 2.694 1.00 0.14 C ATOM 171 CG PHE A 11 3.534 -8.903 1.533 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.921 -7.658 1.710 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.508 -9.519 0.273 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.280 -7.034 0.635 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.870 -8.892 -0.801 1.00 0.14 C ATOM 176 CZ PHE A 11 2.254 -7.650 -0.620 1.00 0.14 C ATOM 0 H PHE A 11 4.971 -10.363 4.931 1.00 0.14 H new ATOM 0 HA PHE A 11 2.576 -9.127 4.015 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.980 -8.904 3.118 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.767 -10.461 2.343 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.943 -7.178 2.677 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.982 -10.479 0.133 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.804 -6.075 0.774 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.853 -9.367 -1.771 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.758 -7.167 -1.449 1.00 0.14 H new ATOM 186 N GLN A 12 2.948 -12.289 3.212 1.00 0.14 N ATOM 187 CA GLN A 12 2.197 -13.469 2.716 1.00 0.16 C ATOM 188 C GLN A 12 1.051 -13.769 3.686 1.00 0.15 C ATOM 189 O GLN A 12 -0.067 -14.030 3.289 1.00 0.16 O ATOM 190 CB GLN A 12 3.154 -14.660 2.690 1.00 0.18 C ATOM 191 CG GLN A 12 4.278 -14.400 1.684 1.00 0.17 C ATOM 192 CD GLN A 12 3.699 -14.300 0.270 1.00 0.40 C ATOM 193 OE1 GLN A 12 2.758 -15.125 -0.097 1.00 1.12 O flip ATOM 194 NE2 GLN A 12 4.111 -13.463 -0.509 1.00 1.31 N flip ATOM 0 H GLN A 12 3.907 -12.476 3.504 1.00 0.14 H new ATOM 0 HA GLN A 12 1.795 -13.280 1.721 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.573 -14.823 3.683 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.613 -15.567 2.419 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.800 -13.478 1.939 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.012 -15.204 1.730 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.847 -12.818 -0.222 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.721 -13.406 -1.450 1.00 1.31 H new ATOM 203 N GLU A 13 1.335 -13.722 4.961 1.00 0.16 N ATOM 204 CA GLU A 13 0.287 -13.991 5.988 1.00 0.17 C ATOM 205 C GLU A 13 -0.810 -12.932 5.907 1.00 0.15 C ATOM 206 O GLU A 13 -1.977 -13.209 6.114 1.00 0.16 O ATOM 207 CB GLU A 13 0.935 -13.946 7.379 1.00 0.19 C ATOM 208 CG GLU A 13 1.932 -15.100 7.540 1.00 0.28 C ATOM 209 CD GLU A 13 1.188 -16.438 7.528 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.036 -16.458 7.932 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.786 -17.422 7.126 1.00 1.77 O ATOM 0 H GLU A 13 2.258 -13.506 5.338 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.154 -14.972 5.809 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.446 -12.993 7.519 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.166 -14.011 8.148 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.665 -15.074 6.733 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.483 -14.989 8.474 1.00 0.28 H new ATOM 218 N ALA A 14 -0.443 -11.717 5.624 1.00 0.15 N ATOM 219 CA ALA A 14 -1.456 -10.635 5.540 1.00 0.14 C ATOM 220 C ALA A 14 -2.353 -10.873 4.332 1.00 0.13 C ATOM 221 O ALA A 14 -3.558 -10.740 4.403 1.00 0.13 O ATOM 222 CB ALA A 14 -0.746 -9.292 5.389 1.00 0.15 C ATOM 0 H ALA A 14 0.518 -11.426 5.447 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.062 -10.629 6.446 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.486 -8.494 5.327 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.101 -9.122 6.251 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.143 -9.299 4.481 1.00 0.15 H new ATOM 228 N LEU A 15 -1.774 -11.225 3.223 1.00 0.12 N ATOM 229 CA LEU A 15 -2.589 -11.472 2.010 1.00 0.12 C ATOM 230 C LEU A 15 -3.565 -12.616 2.281 1.00 0.13 C ATOM 231 O LEU A 15 -4.708 -12.582 1.870 1.00 0.13 O ATOM 232 CB LEU A 15 -1.662 -11.850 0.856 1.00 0.13 C ATOM 233 CG LEU A 15 -0.848 -10.621 0.420 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.304 -11.070 -0.489 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.743 -9.613 -0.334 1.00 0.17 C ATOM 0 H LEU A 15 -0.769 -11.352 3.105 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.150 -10.574 1.750 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.991 -12.652 1.164 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.246 -12.228 0.017 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.449 -10.131 1.308 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.883 -10.200 -0.800 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.949 -11.760 0.055 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.101 -11.570 -1.369 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.147 -8.751 -0.634 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.162 -10.090 -1.220 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.552 -9.286 0.319 1.00 0.17 H new ATOM 247 N ASP A 16 -3.119 -13.632 2.970 1.00 0.13 N ATOM 248 CA ASP A 16 -4.017 -14.782 3.263 1.00 0.15 C ATOM 249 C ASP A 16 -5.107 -14.370 4.256 1.00 0.15 C ATOM 250 O ASP A 16 -6.212 -14.878 4.223 1.00 0.16 O ATOM 251 CB ASP A 16 -3.210 -15.931 3.866 1.00 0.17 C ATOM 252 CG ASP A 16 -4.069 -17.198 3.879 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.212 -17.120 3.458 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.570 -18.225 4.311 1.00 1.07 O ATOM 0 H ASP A 16 -2.173 -13.714 3.341 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.480 -15.102 2.329 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.303 -16.098 3.285 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.897 -15.679 4.879 1.00 0.17 H new ATOM 259 N ALA A 17 -4.802 -13.474 5.153 1.00 0.15 N ATOM 260 CA ALA A 17 -5.818 -13.049 6.157 1.00 0.16 C ATOM 261 C ALA A 17 -6.932 -12.277 5.454 1.00 0.15 C ATOM 262 O ALA A 17 -8.098 -12.424 5.761 1.00 0.17 O ATOM 263 CB ALA A 17 -5.155 -12.149 7.202 1.00 0.18 C ATOM 0 H ALA A 17 -3.893 -13.018 5.235 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.237 -13.928 6.647 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.897 -11.837 7.937 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.357 -12.698 7.702 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.738 -11.269 6.712 1.00 0.18 H new ATOM 269 N ALA A 18 -6.576 -11.458 4.508 1.00 0.14 N ATOM 270 CA ALA A 18 -7.599 -10.670 3.769 1.00 0.15 C ATOM 271 C ALA A 18 -8.551 -11.621 3.037 1.00 0.14 C ATOM 272 O ALA A 18 -9.734 -11.366 2.925 1.00 0.17 O ATOM 273 CB ALA A 18 -6.889 -9.778 2.754 1.00 0.15 C ATOM 0 H ALA A 18 -5.613 -11.299 4.212 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.172 -10.059 4.466 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.627 -9.194 2.204 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.208 -9.105 3.275 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.324 -10.398 2.057 1.00 0.15 H new ATOM 279 N GLY A 19 -8.042 -12.713 2.536 1.00 0.16 N ATOM 280 CA GLY A 19 -8.913 -13.680 1.809 1.00 0.20 C ATOM 281 C GLY A 19 -9.390 -13.065 0.489 1.00 0.16 C ATOM 282 O GLY A 19 -8.599 -12.673 -0.344 1.00 0.17 O ATOM 0 H GLY A 19 -7.059 -12.978 2.599 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.364 -14.601 1.613 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.771 -13.946 2.427 1.00 0.20 H new ATOM 286 N ASP A 20 -10.680 -12.991 0.286 1.00 0.15 N ATOM 287 CA ASP A 20 -11.216 -12.416 -0.988 1.00 0.14 C ATOM 288 C ASP A 20 -11.451 -10.914 -0.832 1.00 0.12 C ATOM 289 O ASP A 20 -11.957 -10.262 -1.723 1.00 0.13 O ATOM 290 CB ASP A 20 -12.539 -13.100 -1.338 1.00 0.15 C ATOM 291 CG ASP A 20 -12.309 -14.602 -1.522 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.327 -14.958 -2.153 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.120 -15.369 -1.031 1.00 1.07 O ATOM 0 H ASP A 20 -11.389 -13.305 0.949 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.490 -12.583 -1.784 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.269 -12.928 -0.547 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.951 -12.671 -2.251 1.00 0.15 H new ATOM 298 N LYS A 21 -11.101 -10.356 0.292 1.00 0.12 N ATOM 299 CA LYS A 21 -11.324 -8.895 0.494 1.00 0.12 C ATOM 300 C LYS A 21 -10.256 -8.100 -0.258 1.00 0.10 C ATOM 301 O LYS A 21 -9.139 -8.548 -0.421 1.00 0.11 O ATOM 302 CB LYS A 21 -11.235 -8.574 1.984 1.00 0.15 C ATOM 303 CG LYS A 21 -12.421 -9.211 2.716 1.00 0.21 C ATOM 304 CD LYS A 21 -12.475 -8.716 4.172 1.00 0.31 C ATOM 305 CE LYS A 21 -13.189 -7.362 4.249 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.332 -6.958 5.674 1.00 1.50 N ATOM 0 H LYS A 21 -10.672 -10.844 1.078 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.309 -8.624 0.115 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.297 -8.950 2.393 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.238 -7.495 2.135 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.350 -8.961 2.204 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.329 -10.297 2.697 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -12.997 -9.445 4.792 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.464 -8.625 4.570 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -12.623 -6.609 3.701 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.170 -7.429 3.778 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.816 -6.039 5.727 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.889 -7.673 6.183 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.390 -6.879 6.109 1.00 1.50 H new ATOM 320 N LEU A 22 -10.586 -6.923 -0.718 1.00 0.11 N ATOM 321 CA LEU A 22 -9.587 -6.113 -1.459 1.00 0.12 C ATOM 322 C LEU A 22 -8.401 -5.850 -0.516 1.00 0.12 C ATOM 323 O LEU A 22 -8.550 -5.830 0.691 1.00 0.14 O ATOM 324 CB LEU A 22 -10.248 -4.779 -1.892 1.00 0.15 C ATOM 325 CG LEU A 22 -9.836 -4.370 -3.319 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.431 -2.976 -3.659 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.303 -4.322 -3.440 1.00 0.47 C ATOM 0 H LEU A 22 -11.504 -6.491 -0.611 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.236 -6.633 -2.350 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.332 -4.878 -1.842 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.967 -3.991 -1.193 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.222 -5.110 -4.020 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.137 -2.691 -4.669 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.518 -3.019 -3.596 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.056 -2.238 -2.950 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.027 -4.032 -4.454 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.905 -3.594 -2.733 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.890 -5.306 -3.219 1.00 0.47 H new ATOM 339 N VAL A 23 -7.232 -5.638 -1.053 1.00 0.11 N ATOM 340 CA VAL A 23 -6.043 -5.367 -0.201 1.00 0.11 C ATOM 341 C VAL A 23 -5.170 -4.354 -0.922 1.00 0.11 C ATOM 342 O VAL A 23 -4.717 -4.589 -2.026 1.00 0.17 O ATOM 343 CB VAL A 23 -5.231 -6.647 0.008 1.00 0.11 C ATOM 344 CG1 VAL A 23 -4.040 -6.349 0.926 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.109 -7.728 0.639 1.00 0.12 C ATOM 0 H VAL A 23 -7.049 -5.641 -2.056 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.369 -4.992 0.769 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.869 -7.004 -0.956 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.460 -7.259 1.076 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.409 -5.588 0.467 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.404 -5.987 1.888 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.522 -8.635 0.784 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.480 -7.379 1.602 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.951 -7.942 -0.019 1.00 0.12 H new ATOM 355 N VAL A 24 -4.930 -3.229 -0.310 1.00 0.09 N ATOM 356 CA VAL A 24 -4.082 -2.184 -0.951 1.00 0.09 C ATOM 357 C VAL A 24 -2.740 -2.135 -0.221 1.00 0.09 C ATOM 358 O VAL A 24 -2.689 -2.250 0.987 1.00 0.10 O ATOM 359 CB VAL A 24 -4.787 -0.829 -0.831 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.986 0.248 -1.570 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.183 -0.932 -1.442 1.00 0.14 C ATOM 0 H VAL A 24 -5.287 -2.986 0.614 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.921 -2.414 -2.004 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.863 -0.556 0.222 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.496 1.207 -1.479 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.990 0.323 -1.134 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.902 -0.019 -2.623 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.688 0.030 -1.359 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.101 -1.209 -2.493 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.758 -1.691 -0.911 1.00 0.14 H new ATOM 371 N VAL A 25 -1.652 -1.977 -0.938 1.00 0.09 N ATOM 372 CA VAL A 25 -0.309 -1.926 -0.273 1.00 0.09 C ATOM 373 C VAL A 25 0.391 -0.620 -0.640 1.00 0.10 C ATOM 374 O VAL A 25 0.646 -0.341 -1.795 1.00 0.11 O ATOM 375 CB VAL A 25 0.549 -3.104 -0.744 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.873 -3.095 0.016 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.183 -4.421 -0.469 1.00 0.10 C ATOM 0 H VAL A 25 -1.635 -1.881 -1.953 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.443 -1.983 0.807 1.00 0.09 H new ATOM 0 HB VAL A 25 0.735 -3.012 -1.814 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.488 -3.932 -0.315 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.398 -2.160 -0.178 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.680 -3.187 1.085 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.431 -5.256 -0.806 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.370 -4.517 0.600 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.132 -4.429 -1.006 1.00 0.10 H new ATOM 387 N ASP A 26 0.706 0.182 0.341 1.00 0.11 N ATOM 388 CA ASP A 26 1.394 1.480 0.068 1.00 0.12 C ATOM 389 C ASP A 26 2.904 1.347 0.269 1.00 0.14 C ATOM 390 O ASP A 26 3.382 1.273 1.384 1.00 0.20 O ATOM 391 CB ASP A 26 0.861 2.540 1.036 1.00 0.14 C ATOM 392 CG ASP A 26 1.582 3.868 0.787 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.616 4.298 -0.351 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.085 4.434 1.744 1.00 1.04 O ATOM 0 H ASP A 26 0.516 -0.006 1.325 1.00 0.11 H new ATOM 0 HA ASP A 26 1.199 1.768 -0.965 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.213 2.666 0.899 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.015 2.218 2.066 1.00 0.14 H new ATOM 399 N PHE A 27 3.671 1.373 -0.791 1.00 0.13 N ATOM 400 CA PHE A 27 5.153 1.311 -0.631 1.00 0.13 C ATOM 401 C PHE A 27 5.628 2.747 -0.511 1.00 0.22 C ATOM 402 O PHE A 27 5.705 3.467 -1.487 1.00 0.73 O ATOM 403 CB PHE A 27 5.814 0.692 -1.870 1.00 0.11 C ATOM 404 CG PHE A 27 5.587 -0.796 -1.925 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.492 -1.662 -1.300 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.490 -1.313 -2.621 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.299 -3.046 -1.368 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.296 -2.698 -2.686 1.00 0.14 C ATOM 409 CZ PHE A 27 5.200 -3.564 -2.061 1.00 0.14 C ATOM 0 H PHE A 27 3.337 1.434 -1.753 1.00 0.13 H new ATOM 0 HA PHE A 27 5.412 0.704 0.236 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.412 1.157 -2.770 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.884 0.899 -1.855 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.340 -1.261 -0.765 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.794 -0.646 -3.107 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.998 -3.714 -0.886 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.447 -3.099 -3.220 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.049 -4.632 -2.114 1.00 0.14 H new ATOM 419 N SER A 28 5.937 3.173 0.678 1.00 0.30 N ATOM 420 CA SER A 28 6.404 4.574 0.888 1.00 0.24 C ATOM 421 C SER A 28 7.681 4.552 1.709 1.00 0.24 C ATOM 422 O SER A 28 7.887 3.685 2.530 1.00 0.28 O ATOM 423 CB SER A 28 5.330 5.351 1.645 1.00 0.27 C ATOM 424 OG SER A 28 4.137 5.374 0.869 1.00 0.29 O ATOM 0 H SER A 28 5.886 2.607 1.525 1.00 0.30 H new ATOM 0 HA SER A 28 6.592 5.051 -0.074 1.00 0.24 H new ATOM 0 HB2 SER A 28 5.140 4.885 2.612 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.670 6.368 1.842 1.00 0.27 H new ATOM 0 HG SER A 28 3.361 5.275 1.459 1.00 0.29 H new ATOM 430 N ALA A 29 8.536 5.509 1.512 1.00 0.20 N ATOM 431 CA ALA A 29 9.787 5.549 2.305 1.00 0.21 C ATOM 432 C ALA A 29 9.490 6.314 3.589 1.00 0.22 C ATOM 433 O ALA A 29 9.093 7.462 3.555 1.00 0.22 O ATOM 434 CB ALA A 29 10.872 6.279 1.501 1.00 0.19 C ATOM 0 H ALA A 29 8.423 6.265 0.836 1.00 0.20 H new ATOM 0 HA ALA A 29 10.139 4.543 2.534 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.795 6.311 2.080 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.050 5.749 0.565 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.543 7.296 1.286 1.00 0.19 H new ATOM 440 N THR A 30 9.675 5.706 4.722 1.00 0.23 N ATOM 441 CA THR A 30 9.391 6.442 5.974 1.00 0.24 C ATOM 442 C THR A 30 10.393 7.592 6.085 1.00 0.22 C ATOM 443 O THR A 30 10.085 8.649 6.600 1.00 0.22 O ATOM 444 CB THR A 30 9.521 5.500 7.177 1.00 0.28 C ATOM 445 OG1 THR A 30 9.274 6.225 8.374 1.00 0.30 O ATOM 446 CG2 THR A 30 10.926 4.900 7.221 1.00 0.29 C ATOM 0 H THR A 30 10.005 4.747 4.834 1.00 0.23 H new ATOM 0 HA THR A 30 8.374 6.834 5.962 1.00 0.24 H new ATOM 0 HB THR A 30 8.793 4.694 7.082 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.355 5.624 9.143 1.00 0.30 H new ATOM 0 HG21 THR A 30 11.010 4.232 8.078 1.00 0.29 H new ATOM 0 HG22 THR A 30 11.111 4.339 6.305 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.661 5.700 7.311 1.00 0.29 H new ATOM 454 N TRP A 31 11.586 7.402 5.584 1.00 0.22 N ATOM 455 CA TRP A 31 12.604 8.500 5.649 1.00 0.21 C ATOM 456 C TRP A 31 12.238 9.649 4.698 1.00 0.19 C ATOM 457 O TRP A 31 12.665 10.772 4.884 1.00 0.22 O ATOM 458 CB TRP A 31 13.977 7.964 5.258 1.00 0.23 C ATOM 459 CG TRP A 31 13.955 7.501 3.835 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.832 6.215 3.458 1.00 0.26 C ATOM 461 CD2 TRP A 31 14.040 8.282 2.605 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.874 6.142 2.079 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.990 7.390 1.506 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.161 9.658 2.334 1.00 0.21 C ATOM 465 CZ2 TRP A 31 14.059 7.846 0.190 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.227 10.118 1.009 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.175 9.214 -0.060 1.00 0.21 C ATOM 0 H TRP A 31 11.901 6.542 5.135 1.00 0.22 H new ATOM 0 HA TRP A 31 12.623 8.874 6.673 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.731 8.741 5.385 1.00 0.23 H new ATOM 0 HB3 TRP A 31 14.256 7.139 5.914 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.719 5.374 4.127 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.825 5.271 1.550 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.203 10.364 3.150 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 14.023 7.145 -0.631 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.318 11.176 0.813 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.225 9.575 -1.077 1.00 0.21 H new ATOM 478 N CYS A 32 11.469 9.386 3.675 1.00 0.18 N ATOM 479 CA CYS A 32 11.106 10.478 2.719 1.00 0.17 C ATOM 480 C CYS A 32 9.897 11.239 3.276 1.00 0.17 C ATOM 481 O CYS A 32 8.821 10.699 3.437 1.00 0.20 O ATOM 482 CB CYS A 32 10.787 9.858 1.344 1.00 0.18 C ATOM 483 SG CYS A 32 10.917 11.121 0.040 1.00 0.26 S ATOM 0 H CYS A 32 11.078 8.469 3.459 1.00 0.18 H new ATOM 0 HA CYS A 32 11.934 11.177 2.598 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.476 9.039 1.137 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.782 9.435 1.352 1.00 0.18 H new ATOM 488 N GLY A 33 10.093 12.491 3.601 1.00 0.20 N ATOM 489 CA GLY A 33 8.992 13.310 4.188 1.00 0.23 C ATOM 490 C GLY A 33 7.787 13.404 3.244 1.00 0.21 C ATOM 491 O GLY A 33 6.667 13.171 3.656 1.00 0.22 O ATOM 0 H GLY A 33 10.978 12.985 3.483 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.678 12.872 5.135 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.361 14.312 4.407 1.00 0.23 H new ATOM 495 N PRO A 34 7.986 13.762 1.999 1.00 0.21 N ATOM 496 CA PRO A 34 6.842 13.879 1.050 1.00 0.22 C ATOM 497 C PRO A 34 5.962 12.619 1.017 1.00 0.22 C ATOM 498 O PRO A 34 4.757 12.700 0.889 1.00 0.24 O ATOM 499 CB PRO A 34 7.568 14.098 -0.287 1.00 0.29 C ATOM 500 CG PRO A 34 8.987 14.587 0.037 1.00 0.31 C ATOM 501 CD PRO A 34 9.333 14.088 1.449 1.00 0.24 C ATOM 0 HA PRO A 34 6.143 14.671 1.317 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.603 13.172 -0.861 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.039 14.831 -0.896 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.701 14.203 -0.692 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.038 15.675 -0.009 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.986 13.216 1.425 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.841 14.851 2.039 1.00 0.24 H new ATOM 509 N ALA A 35 6.552 11.459 1.141 1.00 0.21 N ATOM 510 CA ALA A 35 5.738 10.207 1.118 1.00 0.23 C ATOM 511 C ALA A 35 5.027 10.031 2.463 1.00 0.23 C ATOM 512 O ALA A 35 3.841 9.777 2.521 1.00 0.22 O ATOM 513 CB ALA A 35 6.654 9.004 0.848 1.00 0.24 C ATOM 0 H ALA A 35 7.556 11.324 1.257 1.00 0.21 H new ATOM 0 HA ALA A 35 4.991 10.273 0.327 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.060 8.091 0.831 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.149 9.132 -0.115 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.404 8.934 1.635 1.00 0.24 H new ATOM 519 N LYS A 36 5.740 10.179 3.542 1.00 0.25 N ATOM 520 CA LYS A 36 5.109 10.034 4.884 1.00 0.27 C ATOM 521 C LYS A 36 3.999 11.078 5.031 1.00 0.26 C ATOM 522 O LYS A 36 2.979 10.837 5.636 1.00 0.27 O ATOM 523 CB LYS A 36 6.169 10.249 5.964 1.00 0.33 C ATOM 524 CG LYS A 36 5.583 9.888 7.333 1.00 0.37 C ATOM 525 CD LYS A 36 6.604 10.191 8.441 1.00 0.44 C ATOM 526 CE LYS A 36 6.583 11.682 8.804 1.00 0.89 C ATOM 527 NZ LYS A 36 7.432 11.901 10.007 1.00 1.59 N ATOM 0 H LYS A 36 6.737 10.395 3.554 1.00 0.25 H new ATOM 0 HA LYS A 36 4.684 9.036 4.990 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.044 9.633 5.757 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.501 11.287 5.961 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.668 10.454 7.506 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.313 8.832 7.355 1.00 0.37 H new ATOM 0 HD2 LYS A 36 6.378 9.593 9.324 1.00 0.44 H new ATOM 0 HD3 LYS A 36 7.603 9.906 8.110 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.952 12.278 7.969 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.561 12.007 9.000 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 7.423 12.910 10.259 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.060 11.342 10.801 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 8.408 11.604 9.802 1.00 1.59 H new ATOM 541 N MET A 37 4.204 12.238 4.478 1.00 0.28 N ATOM 542 CA MET A 37 3.185 13.325 4.571 1.00 0.30 C ATOM 543 C MET A 37 1.870 12.865 3.946 1.00 0.25 C ATOM 544 O MET A 37 0.812 13.317 4.319 1.00 0.25 O ATOM 545 CB MET A 37 3.706 14.557 3.824 1.00 0.38 C ATOM 546 CG MET A 37 2.804 15.771 4.094 1.00 0.44 C ATOM 547 SD MET A 37 1.277 15.640 3.124 1.00 1.54 S ATOM 548 CE MET A 37 1.876 16.439 1.615 1.00 2.10 C ATOM 0 H MET A 37 5.045 12.486 3.957 1.00 0.28 H new ATOM 0 HA MET A 37 3.009 13.571 5.618 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.726 14.777 4.140 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.741 14.353 2.754 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.566 15.828 5.156 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.331 16.690 3.836 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.077 16.463 0.874 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.190 17.458 1.843 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.722 15.879 1.218 1.00 2.10 H new ATOM 558 N ILE A 38 1.936 11.994 2.981 1.00 0.23 N ATOM 559 CA ILE A 38 0.697 11.520 2.298 1.00 0.25 C ATOM 560 C ILE A 38 0.027 10.398 3.101 1.00 0.26 C ATOM 561 O ILE A 38 -1.000 9.878 2.710 1.00 0.31 O ATOM 562 CB ILE A 38 1.064 11.010 0.897 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.709 12.153 0.106 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.196 10.527 0.164 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.409 11.593 -1.129 1.00 0.49 C ATOM 0 H ILE A 38 2.802 11.585 2.631 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.006 12.349 2.221 1.00 0.25 H new ATOM 0 HB ILE A 38 1.761 10.177 0.985 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.950 12.876 -0.191 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.426 12.683 0.733 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.076 10.167 -0.828 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.658 9.718 0.729 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.901 11.353 0.070 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.866 12.409 -1.689 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.180 10.887 -0.821 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.681 11.083 -1.760 1.00 0.49 H new ATOM 577 N LYS A 39 0.597 9.994 4.205 1.00 0.27 N ATOM 578 CA LYS A 39 -0.030 8.884 4.984 1.00 0.34 C ATOM 579 C LYS A 39 -1.461 9.200 5.491 1.00 0.30 C ATOM 580 O LYS A 39 -2.234 8.284 5.663 1.00 0.33 O ATOM 581 CB LYS A 39 0.873 8.443 6.165 1.00 0.46 C ATOM 582 CG LYS A 39 0.775 9.390 7.386 1.00 0.50 C ATOM 583 CD LYS A 39 1.278 8.671 8.650 1.00 0.65 C ATOM 584 CE LYS A 39 0.333 7.518 9.042 1.00 0.80 C ATOM 585 NZ LYS A 39 0.866 6.236 8.499 1.00 0.75 N ATOM 0 H LYS A 39 1.457 10.377 4.598 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.129 8.059 4.278 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.595 7.434 6.471 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.909 8.400 5.827 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.367 10.288 7.209 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.257 9.711 7.526 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.281 8.281 8.476 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.351 9.382 9.473 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.245 7.458 10.127 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.667 7.704 8.651 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.142 5.783 7.906 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.713 6.427 7.926 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.115 5.603 9.285 1.00 0.75 H new ATOM 599 N PRO A 40 -1.838 10.437 5.781 1.00 0.26 N ATOM 600 CA PRO A 40 -3.214 10.685 6.311 1.00 0.25 C ATOM 601 C PRO A 40 -4.320 10.224 5.360 1.00 0.20 C ATOM 602 O PRO A 40 -5.306 9.675 5.787 1.00 0.21 O ATOM 603 CB PRO A 40 -3.217 12.213 6.477 1.00 0.26 C ATOM 604 CG PRO A 40 -1.755 12.648 6.516 1.00 0.28 C ATOM 605 CD PRO A 40 -0.996 11.657 5.632 1.00 0.27 C ATOM 0 HA PRO A 40 -3.420 10.130 7.226 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.742 12.692 5.651 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.732 12.503 7.393 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.641 13.667 6.146 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.371 12.634 7.536 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.935 11.992 4.596 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.026 11.497 5.976 1.00 0.27 H new ATOM 613 N PHE A 41 -4.180 10.435 4.082 1.00 0.16 N ATOM 614 CA PHE A 41 -5.263 9.982 3.168 1.00 0.13 C ATOM 615 C PHE A 41 -5.291 8.454 3.136 1.00 0.13 C ATOM 616 O PHE A 41 -6.313 7.827 3.324 1.00 0.15 O ATOM 617 CB PHE A 41 -4.972 10.497 1.759 1.00 0.14 C ATOM 618 CG PHE A 41 -5.328 11.955 1.666 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.472 12.916 2.209 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.514 12.347 1.037 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.799 14.272 2.124 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.844 13.703 0.951 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.986 14.666 1.494 1.00 0.37 C ATOM 0 H PHE A 41 -3.382 10.891 3.639 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.222 10.364 3.518 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.918 10.355 1.520 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.544 9.926 1.028 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.557 12.611 2.695 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.175 11.603 0.618 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.137 15.015 2.544 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.760 14.007 0.466 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.239 15.714 1.427 1.00 0.37 H new ATOM 633 N PHE A 42 -4.154 7.856 2.930 1.00 0.12 N ATOM 634 CA PHE A 42 -4.075 6.371 2.898 1.00 0.13 C ATOM 635 C PHE A 42 -4.535 5.810 4.245 1.00 0.14 C ATOM 636 O PHE A 42 -5.386 4.948 4.321 1.00 0.16 O ATOM 637 CB PHE A 42 -2.619 5.982 2.618 1.00 0.13 C ATOM 638 CG PHE A 42 -2.488 4.479 2.577 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.877 3.776 1.431 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.989 3.786 3.690 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.771 2.381 1.396 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.880 2.389 3.653 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.272 1.686 2.506 1.00 0.13 C ATOM 0 H PHE A 42 -3.267 8.337 2.781 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.720 5.962 2.120 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.295 6.410 1.669 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.969 6.392 3.391 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.259 4.310 0.574 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.689 4.328 4.575 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.074 1.839 0.512 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.494 1.855 4.508 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.190 0.610 2.477 1.00 0.13 H new ATOM 653 N HIS A 43 -3.977 6.315 5.309 1.00 0.16 N ATOM 654 CA HIS A 43 -4.347 5.843 6.672 1.00 0.18 C ATOM 655 C HIS A 43 -5.797 6.222 7.003 1.00 0.16 C ATOM 656 O HIS A 43 -6.527 5.451 7.594 1.00 0.16 O ATOM 657 CB HIS A 43 -3.389 6.492 7.678 1.00 0.23 C ATOM 658 CG HIS A 43 -3.727 6.045 9.069 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.078 4.989 9.686 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.672 6.477 9.959 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.646 4.817 10.895 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.625 5.700 11.112 1.00 0.31 N ATOM 0 H HIS A 43 -3.268 7.048 5.291 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.268 4.757 6.720 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.360 6.221 7.440 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.457 7.578 7.609 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.353 7.299 9.791 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.347 4.058 11.603 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.211 5.786 11.943 1.00 0.31 H new ATOM 670 N SER A 44 -6.218 7.402 6.647 1.00 0.15 N ATOM 671 CA SER A 44 -7.620 7.817 6.954 1.00 0.15 C ATOM 672 C SER A 44 -8.622 6.916 6.215 1.00 0.13 C ATOM 673 O SER A 44 -9.666 6.573 6.731 1.00 0.15 O ATOM 674 CB SER A 44 -7.837 9.276 6.552 1.00 0.18 C ATOM 675 OG SER A 44 -7.006 10.111 7.351 1.00 0.22 O ATOM 0 H SER A 44 -5.656 8.098 6.158 1.00 0.15 H new ATOM 0 HA SER A 44 -7.783 7.715 8.027 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.603 9.413 5.496 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.884 9.550 6.685 1.00 0.18 H new ATOM 0 HG SER A 44 -6.067 9.965 7.110 1.00 0.22 H new ATOM 681 N LEU A 45 -8.318 6.556 4.995 1.00 0.12 N ATOM 682 CA LEU A 45 -9.254 5.707 4.192 1.00 0.14 C ATOM 683 C LEU A 45 -9.467 4.343 4.845 1.00 0.13 C ATOM 684 O LEU A 45 -10.455 3.682 4.598 1.00 0.15 O ATOM 685 CB LEU A 45 -8.684 5.513 2.790 1.00 0.16 C ATOM 686 CG LEU A 45 -8.783 6.833 1.997 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.775 6.816 0.847 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.193 7.002 1.408 1.00 0.22 C ATOM 0 H LEU A 45 -7.456 6.815 4.515 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.217 6.215 4.141 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.644 5.193 2.852 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.230 4.725 2.271 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.571 7.659 2.675 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.846 7.749 0.287 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.767 6.709 1.248 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.993 5.978 0.185 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.245 7.938 0.852 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.410 6.170 0.738 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.925 7.018 2.215 1.00 0.22 H new ATOM 700 N SER A 46 -8.557 3.900 5.660 1.00 0.12 N ATOM 701 CA SER A 46 -8.742 2.568 6.293 1.00 0.12 C ATOM 702 C SER A 46 -10.074 2.569 7.033 1.00 0.14 C ATOM 703 O SER A 46 -10.776 1.578 7.063 1.00 0.16 O ATOM 704 CB SER A 46 -7.596 2.292 7.269 1.00 0.13 C ATOM 705 OG SER A 46 -6.367 2.286 6.556 1.00 0.14 O ATOM 0 H SER A 46 -7.702 4.395 5.914 1.00 0.12 H new ATOM 0 HA SER A 46 -8.741 1.787 5.533 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.575 3.054 8.048 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.747 1.333 7.765 1.00 0.13 H new ATOM 0 HG SER A 46 -5.629 2.111 7.177 1.00 0.14 H new ATOM 711 N GLU A 47 -10.438 3.673 7.619 1.00 0.15 N ATOM 712 CA GLU A 47 -11.743 3.739 8.333 1.00 0.18 C ATOM 713 C GLU A 47 -12.837 4.170 7.352 1.00 0.18 C ATOM 714 O GLU A 47 -14.012 4.018 7.623 1.00 0.21 O ATOM 715 CB GLU A 47 -11.654 4.760 9.474 1.00 0.22 C ATOM 716 CG GLU A 47 -10.742 4.235 10.588 1.00 0.23 C ATOM 717 CD GLU A 47 -11.380 3.008 11.246 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.553 2.770 11.001 1.00 2.16 O ATOM 719 OE2 GLU A 47 -10.689 2.330 11.987 1.00 2.05 O ATOM 0 H GLU A 47 -9.889 4.533 7.635 1.00 0.15 H new ATOM 0 HA GLU A 47 -11.982 2.757 8.742 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.268 5.706 9.095 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.649 4.958 9.872 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.766 3.973 10.179 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.577 5.014 11.333 1.00 0.23 H new ATOM 726 N LYS A 48 -12.477 4.701 6.205 1.00 0.17 N ATOM 727 CA LYS A 48 -13.536 5.112 5.237 1.00 0.19 C ATOM 728 C LYS A 48 -14.010 3.851 4.528 1.00 0.18 C ATOM 729 O LYS A 48 -15.171 3.690 4.210 1.00 0.21 O ATOM 730 CB LYS A 48 -12.978 6.117 4.216 1.00 0.20 C ATOM 731 CG LYS A 48 -14.140 6.843 3.473 1.00 0.30 C ATOM 732 CD LYS A 48 -14.138 6.497 1.990 1.00 0.82 C ATOM 733 CE LYS A 48 -15.164 7.365 1.265 1.00 1.03 C ATOM 734 NZ LYS A 48 -15.249 6.935 -0.156 1.00 1.78 N ATOM 0 H LYS A 48 -11.516 4.863 5.905 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.360 5.599 5.758 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.350 6.849 4.724 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.345 5.599 3.495 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -15.094 6.558 3.916 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.040 7.921 3.599 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.146 6.659 1.569 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.375 5.442 1.851 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -16.139 7.274 1.744 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -14.877 8.415 1.324 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -16.245 6.788 -0.415 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -14.837 7.670 -0.766 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -14.724 6.046 -0.282 1.00 1.78 H new ATOM 748 N TYR A 49 -13.097 2.936 4.325 1.00 0.16 N ATOM 749 CA TYR A 49 -13.434 1.628 3.688 1.00 0.17 C ATOM 750 C TYR A 49 -13.027 0.542 4.673 1.00 0.16 C ATOM 751 O TYR A 49 -12.147 -0.254 4.417 1.00 0.16 O ATOM 752 CB TYR A 49 -12.639 1.444 2.393 1.00 0.17 C ATOM 753 CG TYR A 49 -13.176 2.347 1.315 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.322 1.975 0.605 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.532 3.550 1.022 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.825 2.807 -0.395 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.035 4.384 0.022 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.182 4.014 -0.688 1.00 0.21 C ATOM 759 OH TYR A 49 -14.677 4.839 -1.677 1.00 0.25 O ATOM 0 H TYR A 49 -12.115 3.043 4.579 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.497 1.584 3.449 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.586 1.665 2.570 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.696 0.405 2.068 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -14.818 1.043 0.831 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.645 3.835 1.568 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.710 2.519 -0.943 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.538 5.316 -0.204 1.00 0.20 H new ATOM 0 HH TYR A 49 -15.649 4.729 -1.739 1.00 0.25 H new ATOM 769 N SER A 50 -13.668 0.512 5.807 1.00 0.17 N ATOM 770 CA SER A 50 -13.326 -0.502 6.832 1.00 0.18 C ATOM 771 C SER A 50 -13.588 -1.890 6.255 1.00 0.19 C ATOM 772 O SER A 50 -13.224 -2.895 6.832 1.00 0.21 O ATOM 773 CB SER A 50 -14.191 -0.276 8.071 1.00 0.20 C ATOM 774 OG SER A 50 -15.538 -0.626 7.777 1.00 0.22 O ATOM 0 H SER A 50 -14.419 1.152 6.066 1.00 0.17 H new ATOM 0 HA SER A 50 -12.276 -0.418 7.113 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.820 -0.877 8.901 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.134 0.767 8.382 1.00 0.20 H new ATOM 0 HG SER A 50 -16.094 -0.483 8.571 1.00 0.22 H new ATOM 780 N ASN A 51 -14.213 -1.949 5.109 1.00 0.20 N ATOM 781 CA ASN A 51 -14.499 -3.269 4.480 1.00 0.23 C ATOM 782 C ASN A 51 -13.342 -3.646 3.553 1.00 0.19 C ATOM 783 O ASN A 51 -13.412 -4.615 2.826 1.00 0.22 O ATOM 784 CB ASN A 51 -15.788 -3.166 3.662 1.00 0.32 C ATOM 785 CG ASN A 51 -16.230 -4.561 3.216 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.677 -5.356 4.021 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.128 -4.894 1.959 1.00 0.27 N ATOM 0 H ASN A 51 -14.538 -1.138 4.582 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.613 -4.029 5.253 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.572 -2.699 4.258 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.628 -2.529 2.792 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.423 -5.821 1.651 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.753 -4.228 1.284 1.00 0.27 H new ATOM 794 N VAL A 52 -12.269 -2.893 3.593 1.00 0.21 N ATOM 795 CA VAL A 52 -11.078 -3.196 2.743 1.00 0.17 C ATOM 796 C VAL A 52 -9.846 -3.232 3.643 1.00 0.13 C ATOM 797 O VAL A 52 -9.819 -2.602 4.682 1.00 0.14 O ATOM 798 CB VAL A 52 -10.916 -2.116 1.672 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.563 -2.288 0.958 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.060 -2.244 0.660 1.00 0.24 C ATOM 0 H VAL A 52 -12.168 -2.070 4.187 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.204 -4.157 2.245 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.945 -1.130 2.136 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.453 -1.516 0.196 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.755 -2.199 1.684 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.522 -3.270 0.488 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.954 -1.478 -0.108 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -12.027 -3.230 0.196 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -13.014 -2.115 1.171 1.00 0.24 H new ATOM 810 N ILE A 53 -8.830 -3.977 3.274 1.00 0.11 N ATOM 811 CA ILE A 53 -7.608 -4.056 4.143 1.00 0.09 C ATOM 812 C ILE A 53 -6.486 -3.185 3.558 1.00 0.09 C ATOM 813 O ILE A 53 -6.063 -3.379 2.437 1.00 0.12 O ATOM 814 CB ILE A 53 -7.137 -5.513 4.207 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.329 -6.421 4.561 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.037 -5.665 5.276 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.038 -5.907 5.820 1.00 0.15 C ATOM 0 H ILE A 53 -8.792 -4.529 2.417 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.852 -3.696 5.142 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.732 -5.802 3.237 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.031 -6.452 3.728 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.981 -7.441 4.723 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.708 -6.704 5.315 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.191 -5.026 5.021 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.432 -5.373 6.249 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.878 -6.560 6.057 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.337 -5.900 6.655 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.403 -4.895 5.644 1.00 0.15 H new ATOM 829 N PHE A 54 -5.992 -2.232 4.318 1.00 0.08 N ATOM 830 CA PHE A 54 -4.882 -1.347 3.816 1.00 0.09 C ATOM 831 C PHE A 54 -3.556 -1.742 4.485 1.00 0.09 C ATOM 832 O PHE A 54 -3.473 -1.856 5.694 1.00 0.12 O ATOM 833 CB PHE A 54 -5.177 0.112 4.179 1.00 0.10 C ATOM 834 CG PHE A 54 -6.383 0.617 3.419 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.668 0.235 3.814 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.214 1.487 2.330 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.787 0.720 3.124 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.335 1.967 1.637 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.620 1.584 2.035 1.00 0.10 C ATOM 0 H PHE A 54 -6.309 -2.027 5.266 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.810 -1.463 2.735 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.355 0.197 5.251 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.310 0.732 3.949 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.799 -0.434 4.651 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.222 1.786 2.026 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.780 0.427 3.433 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.206 2.632 0.796 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.483 1.955 1.502 1.00 0.10 H new ATOM 849 N LEU A 55 -2.514 -1.938 3.707 1.00 0.09 N ATOM 850 CA LEU A 55 -1.170 -2.306 4.275 1.00 0.11 C ATOM 851 C LEU A 55 -0.180 -1.175 4.014 1.00 0.10 C ATOM 852 O LEU A 55 -0.184 -0.562 2.965 1.00 0.10 O ATOM 853 CB LEU A 55 -0.601 -3.591 3.628 1.00 0.12 C ATOM 854 CG LEU A 55 -1.336 -4.861 4.103 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.855 -4.697 4.036 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.911 -6.040 3.222 1.00 0.22 C ATOM 0 H LEU A 55 -2.537 -1.858 2.690 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.306 -2.478 5.343 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.678 -3.514 2.543 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.459 -3.677 3.867 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.067 -5.042 5.144 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.335 -5.613 4.379 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.160 -3.867 4.673 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.154 -4.493 3.008 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.425 -6.943 3.550 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.171 -5.831 2.184 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.166 -6.186 3.304 1.00 0.22 H new ATOM 868 N GLU A 56 0.696 -0.929 4.952 1.00 0.12 N ATOM 869 CA GLU A 56 1.737 0.127 4.778 1.00 0.13 C ATOM 870 C GLU A 56 3.086 -0.583 4.723 1.00 0.13 C ATOM 871 O GLU A 56 3.364 -1.443 5.535 1.00 0.14 O ATOM 872 CB GLU A 56 1.701 1.095 5.961 1.00 0.15 C ATOM 873 CG GLU A 56 2.591 2.297 5.648 1.00 0.17 C ATOM 874 CD GLU A 56 2.644 3.222 6.867 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.320 2.872 7.819 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.007 4.263 6.827 1.00 1.13 O ATOM 0 H GLU A 56 0.735 -1.422 5.844 1.00 0.12 H new ATOM 0 HA GLU A 56 1.563 0.702 3.868 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.678 1.422 6.148 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.047 0.596 6.866 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.595 1.962 5.388 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.202 2.837 4.785 1.00 0.17 H new ATOM 883 N VAL A 57 3.912 -0.273 3.750 1.00 0.12 N ATOM 884 CA VAL A 57 5.231 -0.983 3.622 1.00 0.12 C ATOM 885 C VAL A 57 6.394 0.014 3.510 1.00 0.11 C ATOM 886 O VAL A 57 6.332 0.988 2.787 1.00 0.13 O ATOM 887 CB VAL A 57 5.186 -1.851 2.365 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.490 -2.641 2.222 1.00 0.15 C ATOM 889 CG2 VAL A 57 4.024 -2.831 2.479 1.00 0.14 C ATOM 0 H VAL A 57 3.733 0.438 3.041 1.00 0.12 H new ATOM 0 HA VAL A 57 5.395 -1.591 4.512 1.00 0.12 H new ATOM 0 HB VAL A 57 5.057 -1.210 1.493 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.446 -3.256 1.323 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.329 -1.949 2.148 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.625 -3.282 3.093 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.985 -3.454 1.586 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.165 -3.462 3.356 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.090 -2.278 2.577 1.00 0.14 H new ATOM 899 N ASP A 58 7.464 -0.252 4.217 1.00 0.10 N ATOM 900 CA ASP A 58 8.672 0.630 4.175 1.00 0.09 C ATOM 901 C ASP A 58 9.705 0.011 3.236 1.00 0.09 C ATOM 902 O ASP A 58 10.182 -1.080 3.468 1.00 0.09 O ATOM 903 CB ASP A 58 9.278 0.696 5.571 1.00 0.10 C ATOM 904 CG ASP A 58 10.357 1.780 5.607 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.712 2.270 4.547 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.813 2.100 6.693 1.00 1.05 O ATOM 0 H ASP A 58 7.553 -1.059 4.834 1.00 0.10 H new ATOM 0 HA ASP A 58 8.393 1.626 3.830 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.503 0.915 6.306 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.708 -0.269 5.839 1.00 0.10 H new ATOM 911 N VAL A 59 10.089 0.691 2.201 1.00 0.09 N ATOM 912 CA VAL A 59 11.108 0.107 1.295 1.00 0.10 C ATOM 913 C VAL A 59 12.437 0.043 2.040 1.00 0.11 C ATOM 914 O VAL A 59 13.357 -0.642 1.635 1.00 0.12 O ATOM 915 CB VAL A 59 11.255 0.987 0.051 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.949 0.964 -0.741 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.564 2.425 0.470 1.00 0.16 C ATOM 0 H VAL A 59 9.747 1.617 1.943 1.00 0.09 H new ATOM 0 HA VAL A 59 10.805 -0.893 0.985 1.00 0.10 H new ATOM 0 HB VAL A 59 12.069 0.606 -0.566 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.050 1.590 -1.628 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.724 -0.059 -1.043 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.139 1.345 -0.119 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.668 3.048 -0.418 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.751 2.807 1.088 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.493 2.446 1.039 1.00 0.16 H new ATOM 927 N ASP A 60 12.553 0.772 3.123 1.00 0.10 N ATOM 928 CA ASP A 60 13.833 0.773 3.891 1.00 0.12 C ATOM 929 C ASP A 60 13.800 -0.250 5.042 1.00 0.13 C ATOM 930 O ASP A 60 14.773 -0.940 5.277 1.00 0.15 O ATOM 931 CB ASP A 60 14.039 2.182 4.443 1.00 0.14 C ATOM 932 CG ASP A 60 14.597 3.084 3.336 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.802 3.620 2.580 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.808 3.216 3.260 1.00 1.07 O ATOM 0 H ASP A 60 11.817 1.365 3.506 1.00 0.10 H new ATOM 0 HA ASP A 60 14.655 0.488 3.234 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.095 2.582 4.812 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.727 2.157 5.288 1.00 0.14 H new ATOM 939 N ASP A 61 12.701 -0.374 5.750 1.00 0.13 N ATOM 940 CA ASP A 61 12.642 -1.376 6.873 1.00 0.15 C ATOM 941 C ASP A 61 11.982 -2.654 6.353 1.00 0.14 C ATOM 942 O ASP A 61 12.091 -3.709 6.946 1.00 0.19 O ATOM 943 CB ASP A 61 11.834 -0.820 8.054 1.00 0.16 C ATOM 944 CG ASP A 61 12.551 0.403 8.633 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.683 0.641 8.246 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.953 1.082 9.453 1.00 1.01 O ATOM 0 H ASP A 61 11.849 0.167 5.604 1.00 0.13 H new ATOM 0 HA ASP A 61 13.653 -1.587 7.221 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.832 -0.545 7.725 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.719 -1.585 8.822 1.00 0.16 H new ATOM 951 N ALA A 62 11.308 -2.560 5.235 1.00 0.11 N ATOM 952 CA ALA A 62 10.641 -3.753 4.625 1.00 0.12 C ATOM 953 C ALA A 62 11.178 -3.902 3.203 1.00 0.11 C ATOM 954 O ALA A 62 10.449 -4.173 2.270 1.00 0.12 O ATOM 955 CB ALA A 62 9.119 -3.557 4.600 1.00 0.14 C ATOM 0 H ALA A 62 11.189 -1.694 4.710 1.00 0.11 H new ATOM 0 HA ALA A 62 10.852 -4.649 5.209 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.647 -4.432 4.154 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.752 -3.426 5.618 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.876 -2.673 4.010 1.00 0.14 H new ATOM 961 N GLN A 63 12.453 -3.691 3.041 1.00 0.11 N ATOM 962 CA GLN A 63 13.071 -3.778 1.690 1.00 0.12 C ATOM 963 C GLN A 63 12.875 -5.181 1.108 1.00 0.12 C ATOM 964 O GLN A 63 12.950 -5.374 -0.086 1.00 0.14 O ATOM 965 CB GLN A 63 14.569 -3.454 1.790 1.00 0.13 C ATOM 966 CG GLN A 63 15.290 -4.541 2.592 1.00 0.15 C ATOM 967 CD GLN A 63 16.713 -4.074 2.920 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.940 -2.904 3.159 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.687 -4.945 2.942 1.00 1.43 N ATOM 0 H GLN A 63 13.100 -3.460 3.795 1.00 0.11 H new ATOM 0 HA GLN A 63 12.589 -3.057 1.029 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.001 -3.381 0.792 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.708 -2.485 2.269 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.744 -4.752 3.511 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.323 -5.469 2.020 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.498 -5.927 2.742 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.637 -4.643 3.160 1.00 1.43 H new ATOM 978 N ASP A 64 12.612 -6.163 1.926 1.00 0.13 N ATOM 979 CA ASP A 64 12.403 -7.531 1.379 1.00 0.13 C ATOM 980 C ASP A 64 11.138 -7.541 0.522 1.00 0.15 C ATOM 981 O ASP A 64 11.083 -8.176 -0.511 1.00 0.16 O ATOM 982 CB ASP A 64 12.263 -8.534 2.528 1.00 0.17 C ATOM 983 CG ASP A 64 11.232 -8.031 3.534 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.084 -7.898 3.156 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.608 -7.800 4.671 1.00 1.02 O ATOM 0 H ASP A 64 12.534 -6.078 2.939 1.00 0.13 H new ATOM 0 HA ASP A 64 13.259 -7.814 0.767 1.00 0.13 H new ATOM 0 HB2 ASP A 64 11.960 -9.506 2.139 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.226 -8.674 3.020 1.00 0.17 H new ATOM 990 N VAL A 65 10.119 -6.840 0.940 1.00 0.17 N ATOM 991 CA VAL A 65 8.861 -6.817 0.143 1.00 0.22 C ATOM 992 C VAL A 65 9.072 -5.979 -1.117 1.00 0.22 C ATOM 993 O VAL A 65 8.624 -6.328 -2.191 1.00 0.26 O ATOM 994 CB VAL A 65 7.735 -6.177 0.968 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.405 -6.357 0.229 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.658 -6.837 2.354 1.00 0.32 C ATOM 0 H VAL A 65 10.104 -6.285 1.795 1.00 0.17 H new ATOM 0 HA VAL A 65 8.592 -7.839 -0.124 1.00 0.22 H new ATOM 0 HB VAL A 65 7.939 -5.114 1.098 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.602 -5.904 0.810 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.463 -5.875 -0.747 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.203 -7.420 0.097 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.857 -6.377 2.932 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.457 -7.902 2.239 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.606 -6.701 2.875 1.00 0.32 H new ATOM 1006 N ALA A 66 9.727 -4.861 -0.984 1.00 0.19 N ATOM 1007 CA ALA A 66 9.947 -3.982 -2.161 1.00 0.22 C ATOM 1008 C ALA A 66 10.948 -4.608 -3.133 1.00 0.23 C ATOM 1009 O ALA A 66 10.769 -4.559 -4.334 1.00 0.26 O ATOM 1010 CB ALA A 66 10.466 -2.626 -1.690 1.00 0.25 C ATOM 0 H ALA A 66 10.120 -4.518 -0.107 1.00 0.19 H new ATOM 0 HA ALA A 66 8.998 -3.856 -2.683 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.628 -1.979 -2.552 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.734 -2.167 -1.025 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.407 -2.762 -1.156 1.00 0.25 H new ATOM 1016 N SER A 67 12.007 -5.187 -2.637 1.00 0.21 N ATOM 1017 CA SER A 67 13.001 -5.794 -3.565 1.00 0.23 C ATOM 1018 C SER A 67 12.304 -6.879 -4.380 1.00 0.23 C ATOM 1019 O SER A 67 12.573 -7.066 -5.551 1.00 0.24 O ATOM 1020 CB SER A 67 14.147 -6.412 -2.762 1.00 0.23 C ATOM 1021 OG SER A 67 13.646 -7.486 -1.977 1.00 0.22 O ATOM 0 H SER A 67 12.225 -5.266 -1.644 1.00 0.21 H new ATOM 0 HA SER A 67 13.406 -5.030 -4.228 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.926 -6.771 -3.435 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.603 -5.659 -2.119 1.00 0.23 H new ATOM 0 HG SER A 67 13.136 -7.128 -1.220 1.00 0.22 H new ATOM 1027 N GLU A 68 11.394 -7.581 -3.772 1.00 0.23 N ATOM 1028 CA GLU A 68 10.659 -8.642 -4.506 1.00 0.25 C ATOM 1029 C GLU A 68 9.827 -8.007 -5.625 1.00 0.22 C ATOM 1030 O GLU A 68 9.705 -8.550 -6.706 1.00 0.24 O ATOM 1031 CB GLU A 68 9.737 -9.388 -3.541 1.00 0.29 C ATOM 1032 CG GLU A 68 9.132 -10.602 -4.250 1.00 0.32 C ATOM 1033 CD GLU A 68 8.107 -11.276 -3.339 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.407 -10.564 -2.639 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.036 -12.494 -3.359 1.00 2.06 O ATOM 0 H GLU A 68 11.127 -7.465 -2.795 1.00 0.23 H new ATOM 0 HA GLU A 68 11.372 -9.344 -4.939 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.296 -9.708 -2.661 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.945 -8.725 -3.192 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.657 -10.292 -5.180 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.918 -11.309 -4.514 1.00 0.32 H new ATOM 1042 N ALA A 69 9.232 -6.872 -5.365 1.00 0.20 N ATOM 1043 CA ALA A 69 8.385 -6.213 -6.404 1.00 0.20 C ATOM 1044 C ALA A 69 9.234 -5.324 -7.324 1.00 0.19 C ATOM 1045 O ALA A 69 8.714 -4.698 -8.226 1.00 0.20 O ATOM 1046 CB ALA A 69 7.312 -5.363 -5.723 1.00 0.23 C ATOM 0 H ALA A 69 9.296 -6.373 -4.478 1.00 0.20 H new ATOM 0 HA ALA A 69 7.917 -6.989 -7.010 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.694 -4.882 -6.481 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.688 -5.999 -5.096 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.789 -4.601 -5.106 1.00 0.23 H new ATOM 1052 N GLU A 70 10.525 -5.255 -7.114 1.00 0.18 N ATOM 1053 CA GLU A 70 11.376 -4.397 -7.999 1.00 0.18 C ATOM 1054 C GLU A 70 10.829 -2.975 -8.031 1.00 0.17 C ATOM 1055 O GLU A 70 10.633 -2.405 -9.086 1.00 0.18 O ATOM 1056 CB GLU A 70 11.395 -4.951 -9.427 1.00 0.22 C ATOM 1057 CG GLU A 70 12.141 -6.278 -9.454 1.00 0.24 C ATOM 1058 CD GLU A 70 11.292 -7.354 -8.779 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.079 -7.279 -8.890 1.00 2.02 O ATOM 1060 OE2 GLU A 70 11.867 -8.232 -8.159 1.00 2.02 O ATOM 0 H GLU A 70 11.024 -5.750 -6.375 1.00 0.18 H new ATOM 0 HA GLU A 70 12.389 -4.395 -7.598 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.376 -5.089 -9.787 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.876 -4.239 -10.097 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.359 -6.564 -10.483 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.098 -6.180 -8.941 1.00 0.24 H new ATOM 1067 N VAL A 71 10.571 -2.388 -6.899 1.00 0.15 N ATOM 1068 CA VAL A 71 10.017 -1.009 -6.918 1.00 0.14 C ATOM 1069 C VAL A 71 11.063 -0.060 -7.497 1.00 0.14 C ATOM 1070 O VAL A 71 12.221 -0.084 -7.125 1.00 0.16 O ATOM 1071 CB VAL A 71 9.662 -0.571 -5.499 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.924 0.766 -5.567 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.755 -1.626 -4.856 1.00 0.15 C ATOM 0 H VAL A 71 10.717 -2.795 -5.975 1.00 0.15 H new ATOM 0 HA VAL A 71 9.117 -0.988 -7.532 1.00 0.14 H new ATOM 0 HB VAL A 71 10.568 -0.463 -4.903 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.665 1.090 -4.559 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.566 1.513 -6.034 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.014 0.650 -6.156 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.499 -1.317 -3.843 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.844 -1.730 -5.445 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.276 -2.583 -4.823 1.00 0.15 H new ATOM 1083 N LYS A 72 10.657 0.763 -8.430 1.00 0.15 N ATOM 1084 CA LYS A 72 11.605 1.711 -9.073 1.00 0.16 C ATOM 1085 C LYS A 72 11.387 3.129 -8.517 1.00 0.15 C ATOM 1086 O LYS A 72 12.212 4.002 -8.697 1.00 0.16 O ATOM 1087 CB LYS A 72 11.347 1.698 -10.585 1.00 0.19 C ATOM 1088 CG LYS A 72 11.570 0.278 -11.151 1.00 0.23 C ATOM 1089 CD LYS A 72 13.070 -0.002 -11.323 1.00 0.74 C ATOM 1090 CE LYS A 72 13.261 -1.330 -12.064 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.713 -1.546 -12.329 1.00 1.60 N ATOM 0 H LYS A 72 9.698 0.816 -8.774 1.00 0.15 H new ATOM 0 HA LYS A 72 12.632 1.412 -8.865 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.327 2.023 -10.790 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.013 2.404 -11.081 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.131 -0.460 -10.480 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.063 0.179 -12.111 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.540 0.808 -11.880 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.557 -0.044 -10.349 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.863 -2.152 -11.469 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.707 -1.318 -13.002 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.844 -2.447 -12.832 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.079 -0.767 -12.913 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.230 -1.575 -11.427 1.00 1.60 H new ATOM 1105 N ALA A 73 10.291 3.367 -7.838 1.00 0.13 N ATOM 1106 CA ALA A 73 10.051 4.732 -7.275 1.00 0.13 C ATOM 1107 C ALA A 73 8.969 4.689 -6.183 1.00 0.11 C ATOM 1108 O ALA A 73 8.086 3.860 -6.201 1.00 0.12 O ATOM 1109 CB ALA A 73 9.607 5.675 -8.398 1.00 0.14 C ATOM 0 H ALA A 73 9.559 2.682 -7.651 1.00 0.13 H new ATOM 0 HA ALA A 73 10.978 5.094 -6.831 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.432 6.670 -7.989 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.386 5.727 -9.159 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.687 5.299 -8.846 1.00 0.14 H new ATOM 1115 N THR A 74 9.030 5.607 -5.245 1.00 0.11 N ATOM 1116 CA THR A 74 8.013 5.674 -4.141 1.00 0.11 C ATOM 1117 C THR A 74 7.460 7.105 -4.101 1.00 0.12 C ATOM 1118 O THR A 74 8.149 8.024 -4.483 1.00 0.15 O ATOM 1119 CB THR A 74 8.708 5.363 -2.798 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.576 6.432 -2.460 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.500 4.063 -2.895 1.00 0.14 C ATOM 0 H THR A 74 9.753 6.325 -5.196 1.00 0.11 H new ATOM 0 HA THR A 74 7.211 4.956 -4.310 1.00 0.11 H new ATOM 0 HB THR A 74 7.949 5.248 -2.024 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.017 6.238 -1.607 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.983 3.859 -1.940 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.825 3.243 -3.142 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.258 4.156 -3.673 1.00 0.14 H new ATOM 1129 N PRO A 75 6.255 7.328 -3.616 1.00 0.13 N ATOM 1130 CA PRO A 75 5.338 6.256 -3.121 1.00 0.10 C ATOM 1131 C PRO A 75 4.671 5.465 -4.257 1.00 0.09 C ATOM 1132 O PRO A 75 4.255 6.022 -5.255 1.00 0.10 O ATOM 1133 CB PRO A 75 4.300 7.076 -2.330 1.00 0.12 C ATOM 1134 CG PRO A 75 4.377 8.530 -2.826 1.00 0.15 C ATOM 1135 CD PRO A 75 5.728 8.719 -3.536 1.00 0.16 C ATOM 0 HA PRO A 75 5.853 5.491 -2.540 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.299 6.673 -2.481 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.506 7.025 -1.261 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.555 8.744 -3.509 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.286 9.223 -1.990 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.607 9.163 -4.524 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.394 9.372 -2.972 1.00 0.16 H new ATOM 1143 N THR A 76 4.532 4.176 -4.079 1.00 0.09 N ATOM 1144 CA THR A 76 3.853 3.321 -5.102 1.00 0.09 C ATOM 1145 C THR A 76 2.751 2.534 -4.417 1.00 0.10 C ATOM 1146 O THR A 76 2.916 2.053 -3.316 1.00 0.12 O ATOM 1147 CB THR A 76 4.852 2.348 -5.740 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.890 3.081 -6.369 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.136 1.463 -6.764 1.00 0.13 C ATOM 0 H THR A 76 4.865 3.672 -3.257 1.00 0.09 H new ATOM 0 HA THR A 76 3.440 3.955 -5.886 1.00 0.09 H new ATOM 0 HB THR A 76 5.282 1.711 -4.967 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.638 3.191 -5.745 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.852 0.774 -7.213 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.349 0.896 -6.267 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.697 2.088 -7.541 1.00 0.13 H new ATOM 1157 N PHE A 77 1.624 2.409 -5.056 1.00 0.10 N ATOM 1158 CA PHE A 77 0.489 1.654 -4.448 1.00 0.10 C ATOM 1159 C PHE A 77 0.259 0.387 -5.270 1.00 0.10 C ATOM 1160 O PHE A 77 0.172 0.433 -6.481 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.763 2.528 -4.495 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.517 3.799 -3.714 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.728 3.840 -2.328 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.082 4.947 -4.387 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.507 5.031 -1.621 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.142 6.137 -3.680 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.072 6.180 -2.296 1.00 0.19 C ATOM 0 H PHE A 77 1.436 2.799 -5.980 1.00 0.10 H new ATOM 0 HA PHE A 77 0.711 1.391 -3.414 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.015 2.766 -5.528 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.612 1.989 -4.076 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.060 2.955 -1.806 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.082 4.916 -5.454 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.672 5.063 -0.554 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.479 7.020 -4.202 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.098 7.096 -1.750 1.00 0.19 H new ATOM 1177 N GLN A 78 0.143 -0.742 -4.621 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.097 -2.024 -5.351 1.00 0.09 C ATOM 1179 C GLN A 78 -1.367 -2.647 -4.818 1.00 0.08 C ATOM 1180 O GLN A 78 -1.637 -2.618 -3.633 1.00 0.09 O ATOM 1181 CB GLN A 78 1.078 -2.977 -5.125 1.00 0.09 C ATOM 1182 CG GLN A 78 2.296 -2.467 -5.897 1.00 0.12 C ATOM 1183 CD GLN A 78 3.444 -3.472 -5.777 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.228 -4.626 -5.466 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.665 -3.080 -6.019 1.00 0.29 N ATOM 0 H GLN A 78 0.205 -0.832 -3.607 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.193 -1.832 -6.420 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.308 -3.043 -4.062 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.816 -3.981 -5.458 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.038 -2.320 -6.946 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.606 -1.498 -5.506 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.847 -2.111 -6.280 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.437 -3.743 -5.947 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.159 -3.202 -5.690 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.441 -3.826 -5.251 1.00 0.07 C ATOM 1196 C PHE A 79 -3.338 -5.336 -5.332 1.00 0.07 C ATOM 1197 O PHE A 79 -2.956 -5.893 -6.340 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.568 -3.336 -6.151 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.733 -1.857 -5.922 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.860 -0.955 -6.538 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.742 -1.388 -5.076 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -4.000 0.417 -6.312 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.880 -0.017 -4.847 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.010 0.887 -5.465 1.00 0.12 C ATOM 0 H PHE A 79 -1.975 -3.252 -6.692 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.647 -3.544 -4.218 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.336 -3.537 -7.197 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.495 -3.863 -5.924 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.078 -1.318 -7.188 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.415 -2.086 -4.599 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.329 1.114 -6.791 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.659 0.345 -4.192 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.118 1.947 -5.289 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.697 -5.995 -4.265 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.655 -7.481 -4.222 1.00 0.08 C ATOM 1216 C PHE A 80 -5.048 -8.001 -3.889 1.00 0.09 C ATOM 1217 O PHE A 80 -5.767 -7.420 -3.100 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.676 -7.945 -3.139 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.245 -7.671 -3.554 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.639 -6.439 -3.262 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.511 -8.672 -4.209 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.695 -6.212 -3.628 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.823 -8.443 -4.569 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.424 -7.215 -4.279 1.00 0.15 C ATOM 0 H PHE A 80 -4.024 -5.555 -3.405 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.328 -7.864 -5.189 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.892 -7.431 -2.202 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.808 -9.011 -2.955 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.200 -5.667 -2.756 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -0.976 -9.620 -4.436 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.161 -5.263 -3.408 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.387 -9.215 -5.071 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.453 -7.039 -4.557 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.435 -9.102 -4.473 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.778 -9.669 -4.174 1.00 0.12 C ATOM 1236 C LYS A 81 -6.632 -11.189 -4.249 1.00 0.11 C ATOM 1237 O LYS A 81 -6.059 -11.710 -5.180 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.773 -9.160 -5.227 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.206 -9.472 -4.791 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.182 -9.048 -5.893 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.602 -8.996 -5.323 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.980 -10.342 -4.808 1.00 1.68 N ATOM 0 H LYS A 81 -4.879 -9.632 -5.144 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.146 -9.373 -3.191 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.652 -8.085 -5.363 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.567 -9.629 -6.189 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.311 -10.538 -4.588 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.437 -8.947 -3.864 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.901 -8.071 -6.287 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.137 -9.752 -6.724 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.657 -8.260 -4.521 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -12.304 -8.680 -6.095 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.950 -10.568 -5.107 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.325 -11.055 -5.187 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.929 -10.343 -3.769 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.101 -11.898 -3.260 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.948 -13.387 -3.260 1.00 0.13 C ATOM 1258 C LYS A 82 -5.455 -13.721 -3.342 1.00 0.13 C ATOM 1259 O LYS A 82 -5.069 -14.759 -3.841 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.681 -14.025 -4.453 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.190 -13.811 -4.318 1.00 0.20 C ATOM 1262 CD LYS A 82 -9.938 -14.796 -5.216 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.399 -14.357 -5.348 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.095 -15.240 -6.323 1.00 1.22 N ATOM 0 H LYS A 82 -7.585 -11.513 -2.449 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.385 -13.787 -2.345 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.326 -13.586 -5.385 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.460 -15.091 -4.498 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.494 -13.948 -3.280 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.447 -12.788 -4.593 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.469 -14.837 -6.199 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.885 -15.800 -4.796 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.894 -14.407 -4.378 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.450 -13.320 -5.679 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.088 -14.943 -6.414 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.627 -15.171 -7.249 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.057 -16.224 -5.989 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.611 -12.851 -2.855 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.149 -13.121 -2.908 1.00 0.16 C ATOM 1280 C GLY A 83 -2.628 -12.885 -4.324 1.00 0.16 C ATOM 1281 O GLY A 83 -1.557 -13.339 -4.675 1.00 0.23 O ATOM 0 H GLY A 83 -4.873 -11.965 -2.423 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.625 -12.473 -2.206 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.949 -14.148 -2.604 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.378 -12.184 -5.145 1.00 0.12 N ATOM 1286 CA GLN A 84 -2.933 -11.927 -6.555 1.00 0.15 C ATOM 1287 C GLN A 84 -2.881 -10.425 -6.852 1.00 0.12 C ATOM 1288 O GLN A 84 -3.765 -9.684 -6.488 1.00 0.13 O ATOM 1289 CB GLN A 84 -3.922 -12.596 -7.516 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.780 -14.117 -7.430 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.471 -14.538 -8.095 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -1.697 -13.622 -8.606 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -2.150 -15.709 -8.152 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.281 -11.778 -4.899 1.00 0.12 H new ATOM 0 HA GLN A 84 -1.932 -12.338 -6.686 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -4.941 -12.302 -7.266 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.735 -12.261 -8.536 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.792 -14.437 -6.388 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.624 -14.601 -7.922 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.757 -16.424 -7.752 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.274 -15.976 -8.600 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.859 -9.980 -7.547 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.749 -8.526 -7.892 1.00 0.12 C ATOM 1304 C LYS A 85 -2.653 -8.219 -9.086 1.00 0.14 C ATOM 1305 O LYS A 85 -2.546 -8.838 -10.128 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.296 -8.199 -8.257 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.164 -6.693 -8.519 1.00 0.20 C ATOM 1308 CD LYS A 85 1.292 -6.327 -8.861 1.00 0.28 C ATOM 1309 CE LYS A 85 1.573 -6.579 -10.349 1.00 1.28 C ATOM 1310 NZ LYS A 85 0.723 -5.675 -11.178 1.00 1.82 N ATOM 0 H LYS A 85 -1.095 -10.563 -7.890 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.055 -7.923 -7.037 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.370 -8.499 -7.448 1.00 0.17 H new ATOM 0 HB3 LYS A 85 0.004 -8.761 -9.141 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.820 -6.403 -9.340 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.488 -6.136 -7.640 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.476 -5.279 -8.622 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.975 -6.918 -8.250 1.00 0.28 H new ATOM 0 HE2 LYS A 85 2.627 -6.404 -10.565 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.365 -7.620 -10.598 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 1.168 -5.537 -12.108 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 -0.217 -6.101 -11.304 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 0.626 -4.756 -10.701 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.550 -7.267 -8.940 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.478 -6.908 -10.061 1.00 0.18 C ATOM 1326 C VAL A 86 -4.323 -5.430 -10.439 1.00 0.17 C ATOM 1327 O VAL A 86 -5.078 -4.917 -11.242 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.924 -7.157 -9.619 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.164 -8.659 -9.423 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.182 -6.425 -8.299 1.00 0.26 C ATOM 0 H VAL A 86 -3.678 -6.722 -8.087 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.233 -7.524 -10.926 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.602 -6.786 -10.388 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.195 -8.825 -9.109 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.982 -9.182 -10.362 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.486 -9.039 -8.659 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.210 -6.600 -7.981 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.498 -6.798 -7.537 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.022 -5.356 -8.439 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.368 -4.730 -9.883 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.222 -3.290 -10.259 1.00 0.17 C ATOM 1342 C GLY A 87 -2.066 -2.630 -9.499 1.00 0.12 C ATOM 1343 O GLY A 87 -1.682 -3.054 -8.429 1.00 0.17 O ATOM 0 H GLY A 87 -2.697 -5.081 -9.200 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.048 -3.208 -11.332 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.150 -2.760 -10.045 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.523 -1.579 -10.060 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.398 -0.849 -9.404 1.00 0.13 C ATOM 1349 C GLU A 88 -0.229 0.518 -10.055 1.00 0.11 C ATOM 1350 O GLU A 88 -0.464 0.686 -11.235 1.00 0.14 O ATOM 1351 CB GLU A 88 0.908 -1.649 -9.561 1.00 0.21 C ATOM 1352 CG GLU A 88 2.112 -0.793 -9.127 1.00 0.58 C ATOM 1353 CD GLU A 88 3.367 -1.665 -9.044 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.245 -2.866 -9.223 1.00 1.93 O ATOM 1355 OE2 GLU A 88 4.429 -1.116 -8.798 1.00 1.87 O ATOM 0 H GLU A 88 -1.816 -1.192 -10.957 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.623 -0.727 -8.344 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.862 -2.556 -8.959 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.029 -1.961 -10.598 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.268 0.018 -9.838 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.913 -0.334 -8.159 1.00 0.58 H new ATOM 1362 N PHE A 89 0.227 1.487 -9.311 1.00 0.10 N ATOM 1363 CA PHE A 89 0.465 2.823 -9.932 1.00 0.09 C ATOM 1364 C PHE A 89 1.371 3.648 -9.016 1.00 0.10 C ATOM 1365 O PHE A 89 1.544 3.335 -7.855 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.858 3.555 -10.187 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.470 4.081 -8.909 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.994 5.279 -8.371 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.527 3.405 -8.286 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.572 5.811 -7.214 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.101 3.932 -7.120 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.625 5.138 -6.587 1.00 0.14 C ATOM 0 H PHE A 89 0.443 1.416 -8.317 1.00 0.10 H new ATOM 0 HA PHE A 89 0.954 2.685 -10.896 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.687 4.383 -10.875 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.560 2.877 -10.673 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.176 5.797 -8.850 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.899 2.481 -8.702 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.205 6.741 -6.805 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.910 3.408 -6.632 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.071 5.547 -5.693 1.00 0.14 H new ATOM 1382 N SER A 90 1.977 4.681 -9.548 1.00 0.10 N ATOM 1383 CA SER A 90 2.908 5.533 -8.743 1.00 0.10 C ATOM 1384 C SER A 90 2.505 6.993 -8.844 1.00 0.09 C ATOM 1385 O SER A 90 1.781 7.391 -9.734 1.00 0.11 O ATOM 1386 CB SER A 90 4.332 5.394 -9.277 1.00 0.11 C ATOM 1387 OG SER A 90 4.363 5.812 -10.636 1.00 0.12 O ATOM 0 H SER A 90 1.865 4.974 -10.519 1.00 0.10 H new ATOM 0 HA SER A 90 2.859 5.205 -7.705 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.017 5.998 -8.682 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.665 4.359 -9.194 1.00 0.11 H new ATOM 0 HG SER A 90 5.275 5.727 -10.984 1.00 0.12 H new ATOM 1393 N GLY A 91 2.988 7.796 -7.935 1.00 0.09 N ATOM 1394 CA GLY A 91 2.666 9.251 -7.950 1.00 0.09 C ATOM 1395 C GLY A 91 1.927 9.620 -6.672 1.00 0.10 C ATOM 1396 O GLY A 91 1.107 8.872 -6.176 1.00 0.12 O ATOM 0 H GLY A 91 3.599 7.502 -7.174 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.582 9.836 -8.035 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.053 9.490 -8.819 1.00 0.09 H new ATOM 1400 N ALA A 92 2.211 10.767 -6.130 1.00 0.11 N ATOM 1401 CA ALA A 92 1.527 11.182 -4.880 1.00 0.14 C ATOM 1402 C ALA A 92 0.095 11.636 -5.197 1.00 0.13 C ATOM 1403 O ALA A 92 -0.256 12.781 -5.000 1.00 0.17 O ATOM 1404 CB ALA A 92 2.300 12.354 -4.278 1.00 0.18 C ATOM 0 H ALA A 92 2.888 11.435 -6.499 1.00 0.11 H new ATOM 0 HA ALA A 92 1.490 10.346 -4.181 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.814 12.676 -3.357 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.321 12.042 -4.060 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.317 13.181 -4.987 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.740 10.732 -5.663 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.165 11.086 -5.973 1.00 0.14 C ATOM 1412 C ASN A 93 -3.080 10.263 -5.064 1.00 0.13 C ATOM 1413 O ASN A 93 -3.400 9.128 -5.349 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.466 10.755 -7.439 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.828 11.339 -7.827 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.493 12.047 -6.957 1.00 0.88 O flip ATOM 1417 ND2 ASN A 93 -4.298 11.134 -8.929 1.00 0.75 N flip ATOM 0 H ASN A 93 -0.493 9.759 -5.842 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.332 12.150 -5.806 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.687 11.164 -8.082 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.467 9.675 -7.586 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -3.778 10.580 -9.610 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -5.212 11.516 -9.173 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.498 10.828 -3.966 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.385 10.084 -3.024 1.00 0.15 C ATOM 1426 C LYS A 94 -5.783 9.880 -3.622 1.00 0.15 C ATOM 1427 O LYS A 94 -6.423 8.881 -3.383 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.510 10.882 -1.729 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.886 12.359 -2.027 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.700 13.281 -1.723 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.145 14.735 -1.845 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.997 15.631 -1.533 1.00 1.06 N ATOM 0 H LYS A 94 -3.263 11.778 -3.678 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.945 9.105 -2.834 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.269 10.430 -1.090 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.568 10.845 -1.181 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.178 12.463 -3.072 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.746 12.651 -1.425 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.323 13.088 -0.719 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.882 13.080 -2.415 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.511 14.932 -2.853 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.971 14.933 -1.162 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.298 16.623 -1.616 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.668 15.449 -0.563 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.222 15.448 -2.202 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.267 10.815 -4.391 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.624 10.654 -4.979 1.00 0.15 C ATOM 1448 C GLU A 95 -7.623 9.429 -5.889 1.00 0.15 C ATOM 1449 O GLU A 95 -8.625 8.765 -6.070 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.965 11.898 -5.799 1.00 0.17 C ATOM 1451 CG GLU A 95 -8.017 13.123 -4.882 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.203 13.006 -3.922 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.092 12.219 -4.199 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.201 13.710 -2.925 1.00 1.55 O ATOM 0 H GLU A 95 -5.784 11.679 -4.636 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.363 10.526 -4.188 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.218 12.047 -6.579 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.925 11.764 -6.298 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.088 13.205 -4.318 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.109 14.031 -5.478 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.498 9.140 -6.469 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.391 7.974 -7.382 1.00 0.15 C ATOM 1463 C LYS A 96 -6.691 6.694 -6.607 1.00 0.14 C ATOM 1464 O LYS A 96 -7.264 5.759 -7.129 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.970 7.938 -7.932 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.866 6.951 -9.098 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.570 7.219 -9.867 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.481 6.270 -11.063 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.208 6.514 -11.797 1.00 1.45 N ATOM 0 H LYS A 96 -5.635 9.670 -6.348 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.105 8.057 -8.202 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.678 8.934 -8.265 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.276 7.650 -7.142 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.877 5.927 -8.726 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.725 7.059 -9.760 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.544 8.254 -10.208 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.710 7.078 -9.212 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.525 5.235 -10.724 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.331 6.424 -11.727 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.115 5.824 -12.570 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.213 7.476 -12.191 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.405 6.412 -11.143 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.313 6.647 -5.361 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.585 5.433 -4.545 1.00 0.13 C ATOM 1485 C LEU A 97 -8.084 5.201 -4.494 1.00 0.14 C ATOM 1486 O LEU A 97 -8.567 4.088 -4.538 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.107 5.670 -3.111 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.587 5.563 -3.029 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.134 6.052 -1.649 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.142 4.099 -3.251 1.00 0.19 C ATOM 0 H LEU A 97 -5.827 7.398 -4.872 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.071 4.579 -4.986 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.427 6.656 -2.773 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.565 4.940 -2.443 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.132 6.178 -3.805 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -3.049 5.981 -1.576 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.440 7.089 -1.512 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.591 5.434 -0.876 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.056 4.036 -3.190 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.586 3.464 -2.485 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.470 3.764 -4.235 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.816 6.259 -4.368 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.297 6.130 -4.261 1.00 0.15 C ATOM 1504 C GLU A 98 -10.872 5.491 -5.521 1.00 0.16 C ATOM 1505 O GLU A 98 -11.738 4.641 -5.454 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.909 7.522 -4.066 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.424 7.407 -3.834 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.153 7.181 -5.163 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.593 7.517 -6.195 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.264 6.677 -5.127 1.00 2.00 O ATOM 0 H GLU A 98 -8.459 7.214 -4.334 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.537 5.494 -3.409 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.440 8.018 -3.216 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.714 8.139 -4.943 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.632 6.582 -3.153 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.795 8.315 -3.358 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.419 5.904 -6.667 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.971 5.331 -7.926 1.00 0.17 C ATOM 1519 C ALA A 99 -10.578 3.863 -8.097 1.00 0.16 C ATOM 1520 O ALA A 99 -11.385 3.043 -8.484 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.457 6.136 -9.117 1.00 0.19 C ATOM 0 H ALA A 99 -9.693 6.610 -6.789 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.058 5.385 -7.873 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.860 5.718 -10.040 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.775 7.174 -9.019 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.368 6.091 -9.144 1.00 0.19 H new ATOM 1527 N THR A 100 -9.347 3.518 -7.844 1.00 0.16 N ATOM 1528 CA THR A 100 -8.940 2.097 -8.035 1.00 0.16 C ATOM 1529 C THR A 100 -9.686 1.208 -7.034 1.00 0.15 C ATOM 1530 O THR A 100 -10.135 0.128 -7.366 1.00 0.15 O ATOM 1531 CB THR A 100 -7.431 1.959 -7.834 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.760 2.938 -8.615 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.990 0.563 -8.284 1.00 0.20 C ATOM 0 H THR A 100 -8.614 4.147 -7.518 1.00 0.16 H new ATOM 0 HA THR A 100 -9.192 1.783 -9.048 1.00 0.16 H new ATOM 0 HB THR A 100 -7.186 2.102 -6.782 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.792 2.852 -8.486 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.914 0.458 -8.143 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.509 -0.191 -7.692 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.233 0.427 -9.338 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.841 1.661 -5.821 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.583 0.851 -4.807 1.00 0.13 C ATOM 1543 C ILE A 101 -12.007 0.647 -5.310 1.00 0.14 C ATOM 1544 O ILE A 101 -12.515 -0.454 -5.346 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.614 1.611 -3.474 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.212 1.639 -2.857 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.580 0.927 -2.502 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.160 2.699 -1.755 1.00 0.16 C ATOM 0 H ILE A 101 -9.487 2.557 -5.485 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.094 -0.112 -4.658 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.950 2.631 -3.660 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.964 0.660 -2.447 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.470 1.860 -3.624 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.595 1.474 -1.559 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.582 0.917 -2.932 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.252 -0.097 -2.323 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.162 2.719 -1.316 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.389 3.677 -2.179 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.891 2.458 -0.983 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.644 1.708 -5.716 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.030 1.604 -6.241 1.00 0.20 C ATOM 1562 C ASN A 102 -14.018 0.687 -7.458 1.00 0.19 C ATOM 1563 O ASN A 102 -14.958 -0.034 -7.726 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.521 2.997 -6.652 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.974 2.919 -7.127 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.260 2.338 -8.155 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.906 3.499 -6.422 1.00 0.55 N ATOM 0 H ASN A 102 -12.258 2.652 -5.706 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.695 1.200 -5.477 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.441 3.683 -5.809 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.890 3.394 -7.447 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.877 3.465 -6.734 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.664 3.986 -5.559 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.961 0.740 -8.213 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.871 -0.094 -9.437 1.00 0.18 C ATOM 1576 C GLU A 103 -12.773 -1.579 -9.064 1.00 0.16 C ATOM 1577 O GLU A 103 -13.360 -2.427 -9.708 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.607 0.315 -10.191 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.603 -0.332 -11.577 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.292 -0.001 -12.290 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.069 1.165 -12.568 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -9.532 -0.921 -12.548 1.00 2.04 O ATOM 0 H GLU A 103 -12.149 1.330 -8.033 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.759 0.054 -10.051 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.563 1.400 -10.285 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.723 0.007 -9.633 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.717 -1.412 -11.486 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.449 0.030 -12.162 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.026 -1.904 -8.036 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.875 -3.340 -7.631 1.00 0.14 C ATOM 1591 C LEU A 104 -12.808 -3.686 -6.466 1.00 0.13 C ATOM 1592 O LEU A 104 -12.860 -4.821 -6.035 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.433 -3.595 -7.181 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.455 -3.326 -8.327 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.025 -3.440 -7.791 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.666 -4.345 -9.463 1.00 0.25 C ATOM 0 H LEU A 104 -11.514 -1.237 -7.459 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.129 -3.960 -8.491 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.192 -2.954 -6.333 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.329 -4.626 -6.842 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.628 -2.326 -8.724 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.318 -3.250 -8.598 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.874 -2.708 -6.997 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.864 -4.443 -7.395 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.963 -4.140 -10.271 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.499 -5.353 -9.083 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.685 -4.264 -9.840 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.531 -2.741 -5.933 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.421 -3.080 -4.785 1.00 0.15 C ATOM 1610 C VAL A 105 -15.473 -4.093 -5.249 1.00 0.16 C ATOM 1611 O VAL A 105 -15.978 -3.932 -6.349 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.121 -1.816 -4.251 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.246 -1.379 -5.204 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.708 -2.118 -2.866 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.746 -5.017 -4.502 1.00 1.08 O ATOM 0 H VAL A 105 -13.546 -1.767 -6.234 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.819 -3.507 -3.983 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.393 -1.007 -4.181 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.729 -0.485 -4.811 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.827 -1.163 -6.187 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.980 -2.180 -5.291 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.206 -1.228 -2.480 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.429 -2.931 -2.946 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.907 -2.409 -2.187 1.00 0.19 H new ATOM 1683 N LYS B 63 6.922 15.053 -5.922 1.00 0.19 N ATOM 1684 CA LYS B 63 5.790 14.089 -5.873 1.00 0.14 C ATOM 1685 C LYS B 63 6.342 12.655 -5.813 1.00 0.12 C ATOM 1686 O LYS B 63 5.641 11.735 -5.434 1.00 0.12 O ATOM 1687 CB LYS B 63 4.940 14.248 -7.138 1.00 0.17 C ATOM 1688 CG LYS B 63 4.406 15.687 -7.255 1.00 0.20 C ATOM 1689 CD LYS B 63 3.609 16.085 -6.002 1.00 0.40 C ATOM 1690 CE LYS B 63 2.669 17.250 -6.339 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.917 17.659 -5.118 1.00 1.31 N ATOM 0 HA LYS B 63 5.181 14.284 -4.990 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.537 14.003 -8.017 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.107 13.546 -7.113 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.238 16.377 -7.395 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.770 15.772 -8.136 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.034 15.233 -5.639 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.290 16.374 -5.202 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.243 18.093 -6.724 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.973 16.953 -7.124 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.281 18.449 -5.350 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.357 16.855 -4.769 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.587 17.959 -4.382 1.00 1.31 H new ATOM 1705 N ILE B 64 7.588 12.460 -6.206 1.00 0.11 N ATOM 1706 CA ILE B 64 8.209 11.084 -6.179 1.00 0.11 C ATOM 1707 C ILE B 64 9.564 11.133 -5.450 1.00 0.10 C ATOM 1708 O ILE B 64 10.347 12.043 -5.639 1.00 0.11 O ATOM 1709 CB ILE B 64 8.456 10.601 -7.619 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.122 10.374 -8.347 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.263 9.295 -7.611 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.250 9.352 -7.596 1.00 0.15 C ATOM 0 H ILE B 64 8.204 13.198 -6.546 1.00 0.11 H new ATOM 0 HA ILE B 64 7.531 10.406 -5.661 1.00 0.11 H new ATOM 0 HB ILE B 64 9.022 11.371 -8.144 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.586 11.319 -8.435 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.312 10.020 -9.360 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.431 8.965 -8.636 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.223 9.463 -7.123 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.709 8.529 -7.069 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.312 9.210 -8.133 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.778 8.401 -7.531 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.041 9.720 -6.592 1.00 0.15 H new ATOM 1724 N CYS B 65 9.865 10.134 -4.648 1.00 0.09 N ATOM 1725 CA CYS B 65 11.190 10.093 -3.951 1.00 0.10 C ATOM 1726 C CYS B 65 12.116 9.200 -4.790 1.00 0.10 C ATOM 1727 O CYS B 65 11.789 8.068 -5.090 1.00 0.11 O ATOM 1728 CB CYS B 65 11.061 9.485 -2.541 1.00 0.10 C ATOM 1729 SG CYS B 65 9.858 10.408 -1.540 1.00 0.19 S ATOM 0 H CYS B 65 9.248 9.347 -4.448 1.00 0.09 H new ATOM 0 HA CYS B 65 11.580 11.106 -3.848 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.752 8.443 -2.618 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.033 9.494 -2.047 1.00 0.10 H new ATOM 1734 N SER B 66 13.251 9.698 -5.196 1.00 0.12 N ATOM 1735 CA SER B 66 14.170 8.874 -6.042 1.00 0.14 C ATOM 1736 C SER B 66 14.933 7.852 -5.187 1.00 0.14 C ATOM 1737 O SER B 66 15.367 8.140 -4.089 1.00 0.15 O ATOM 1738 CB SER B 66 15.175 9.800 -6.728 1.00 0.18 C ATOM 1739 OG SER B 66 14.484 10.684 -7.600 1.00 0.20 O ATOM 0 H SER B 66 13.585 10.638 -4.981 1.00 0.12 H new ATOM 0 HA SER B 66 13.577 8.335 -6.781 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.731 10.368 -5.982 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.903 9.213 -7.289 1.00 0.18 H new ATOM 0 HG SER B 66 15.127 11.279 -8.039 1.00 0.20 H new ATOM 1745 N TRP B 67 15.131 6.661 -5.701 1.00 0.15 N ATOM 1746 CA TRP B 67 15.894 5.630 -4.935 1.00 0.16 C ATOM 1747 C TRP B 67 17.378 5.965 -5.019 1.00 0.19 C ATOM 1748 O TRP B 67 18.200 5.394 -4.328 1.00 0.21 O ATOM 1749 CB TRP B 67 15.646 4.236 -5.528 1.00 0.16 C ATOM 1750 CG TRP B 67 14.241 3.827 -5.227 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.146 4.524 -5.582 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.762 2.651 -4.508 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.029 3.859 -5.125 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.358 2.702 -4.456 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.401 1.557 -3.902 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.616 1.714 -3.821 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.657 0.557 -3.267 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.266 0.638 -3.223 1.00 0.16 C ATOM 0 H TRP B 67 14.797 6.361 -6.617 1.00 0.15 H new ATOM 0 HA TRP B 67 15.565 5.628 -3.896 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.813 4.249 -6.605 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.347 3.516 -5.106 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.143 5.452 -6.134 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.073 4.185 -5.266 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.478 1.487 -3.927 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.538 1.780 -3.791 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.162 -0.281 -2.809 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.694 -0.132 -2.726 1.00 0.16 H new ATOM 1769 N ASN B 68 17.726 6.900 -5.859 1.00 0.23 N ATOM 1770 CA ASN B 68 19.154 7.286 -5.996 1.00 0.27 C ATOM 1771 C ASN B 68 19.701 7.627 -4.611 1.00 0.26 C ATOM 1772 O ASN B 68 20.894 7.763 -4.418 1.00 0.30 O ATOM 1773 CB ASN B 68 19.261 8.515 -6.903 1.00 0.34 C ATOM 1774 CG ASN B 68 18.918 8.123 -8.344 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.513 6.909 -8.600 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.017 8.933 -9.245 1.00 0.40 N flip ATOM 0 H ASN B 68 17.079 7.414 -6.457 1.00 0.23 H new ATOM 0 HA ASN B 68 19.725 6.466 -6.431 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.583 9.295 -6.557 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.270 8.926 -6.858 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.333 9.882 -9.045 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.784 8.664 -10.201 1.00 0.40 H new