USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 600 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 52 SER OG : rot -81:sc= 0.136 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.115 F(o=-2.3!,f=0.021) USER MOD Set 2.1: A 50 THR OG1 : rot 157:sc= 1.04 USER MOD Set 2.2: A 69 CYS SG : rot -160:sc= -1.1! USER MOD Set 3.1: A 26 ASN : amide:sc= 1.65 K(o=2.5,f=-9!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -170:sc= 0.865 (180deg=0.889) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 38:sc= 0.276 USER MOD Single : A 8 SER OG : rot 180:sc= 0.305 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 1.26 (180deg=0.451) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.022 (180deg=-0.242) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 63:sc= -1.68! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0954 (180deg=-0.399) USER MOD Single : A 38 SER OG : rot 87:sc= 1.24 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 SER OG : rot 78:sc= 1.22 USER MOD Single : A 45 TYR OH : rot 165:sc= -0.314 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.153) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.702 F(o=-2.2,f=-0.7) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.457 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.9!) USER MOD Single : A 61 MET CE :methyl 149:sc= 0 (180deg=-2.51) USER MOD Single : A 62 ASN : amide:sc= -0.0801 K(o=-0.08,f=-2.3!) USER MOD Single : A 63 THR OG1 : rot -22:sc= 0.423 USER MOD Single : A 70 THR OG1 : rot -34:sc= 0.915 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= -0.0206 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.518 -1.677 6.584 1.00 0.00 N ATOM 39 CA LYS A 3 -18.422 -1.195 5.755 1.00 0.00 C ATOM 40 C LYS A 3 -17.103 -1.734 6.292 1.00 0.00 C ATOM 41 O LYS A 3 -16.822 -1.632 7.486 1.00 0.00 O ATOM 42 CB LYS A 3 -18.396 0.337 5.701 1.00 0.00 C ATOM 43 CG LYS A 3 -19.628 0.942 5.044 1.00 0.00 C ATOM 44 CD LYS A 3 -19.464 2.435 4.800 1.00 0.00 C ATOM 45 CE LYS A 3 -20.699 3.020 4.134 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.512 4.440 3.741 1.00 0.00 N ATOM 0 HA LYS A 3 -18.572 -1.556 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.306 0.727 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.508 0.658 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.819 0.438 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.498 0.771 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.282 2.944 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.591 2.610 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.945 2.431 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.547 2.943 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.381 4.793 3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.303 5.009 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.721 4.513 3.070 1.00 0.00 H new ATOM 60 N ASP A 4 -16.298 -2.298 5.409 1.00 0.00 N ATOM 61 CA ASP A 4 -15.099 -3.012 5.821 1.00 0.00 C ATOM 62 C ASP A 4 -13.850 -2.275 5.350 1.00 0.00 C ATOM 63 O ASP A 4 -13.893 -1.525 4.375 1.00 0.00 O ATOM 64 CB ASP A 4 -15.121 -4.431 5.245 1.00 0.00 C ATOM 65 CG ASP A 4 -14.417 -5.437 6.131 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.183 -5.350 6.292 1.00 0.00 O ATOM 67 OD2 ASP A 4 -15.102 -6.317 6.691 1.00 0.00 O ATOM 0 H ASP A 4 -16.452 -2.276 4.401 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.077 -3.065 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.155 -4.743 5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.649 -4.426 4.263 1.00 0.00 H new ATOM 72 N ILE A 5 -12.745 -2.479 6.051 1.00 0.00 N ATOM 73 CA ILE A 5 -11.478 -1.867 5.679 1.00 0.00 C ATOM 74 C ILE A 5 -10.893 -2.558 4.451 1.00 0.00 C ATOM 75 O ILE A 5 -10.523 -3.732 4.512 1.00 0.00 O ATOM 76 CB ILE A 5 -10.454 -1.944 6.837 1.00 0.00 C ATOM 77 CG1 ILE A 5 -10.969 -1.193 8.069 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.101 -1.396 6.405 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.168 0.291 7.844 1.00 0.00 C ATOM 0 H ILE A 5 -12.700 -3.066 6.884 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.676 -0.819 5.453 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.327 -2.993 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.916 -1.633 8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.265 -1.335 8.889 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.400 -1.461 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.724 -1.979 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.210 -0.354 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.534 0.752 8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.219 0.747 7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.895 0.444 7.046 1.00 0.00 H new ATOM 91 N PHE A 6 -10.832 -1.842 3.332 1.00 0.00 N ATOM 92 CA PHE A 6 -10.224 -2.385 2.124 1.00 0.00 C ATOM 93 C PHE A 6 -8.736 -2.650 2.344 1.00 0.00 C ATOM 94 O PHE A 6 -7.928 -1.721 2.406 1.00 0.00 O ATOM 95 CB PHE A 6 -10.427 -1.430 0.944 1.00 0.00 C ATOM 96 CG PHE A 6 -9.753 -1.865 -0.327 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.271 -2.904 -1.082 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.602 -1.231 -0.767 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.656 -3.302 -2.254 1.00 0.00 C ATOM 100 CE2 PHE A 6 -7.982 -1.624 -1.937 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.509 -2.660 -2.681 1.00 0.00 C ATOM 0 H PHE A 6 -11.193 -0.893 3.238 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.712 -3.331 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.496 -1.324 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.053 -0.444 1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.166 -3.409 -0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.185 -0.420 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.071 -4.113 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.086 -1.121 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.026 -2.969 -3.596 1.00 0.00 H new ATOM 111 N THR A 7 -8.392 -3.918 2.502 1.00 0.00 N ATOM 112 CA THR A 7 -7.006 -4.323 2.633 1.00 0.00 C ATOM 113 C THR A 7 -6.568 -5.103 1.396 1.00 0.00 C ATOM 114 O THR A 7 -7.145 -6.144 1.075 1.00 0.00 O ATOM 115 CB THR A 7 -6.798 -5.195 3.887 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.743 -6.272 3.891 1.00 0.00 O ATOM 117 CG2 THR A 7 -6.954 -4.371 5.157 1.00 0.00 C ATOM 0 H THR A 7 -9.060 -4.687 2.543 1.00 0.00 H new ATOM 0 HA THR A 7 -6.402 -3.421 2.732 1.00 0.00 H new ATOM 0 HB THR A 7 -5.785 -5.596 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.872 -6.597 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.802 -5.010 6.027 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.216 -3.569 5.163 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.956 -3.943 5.192 1.00 0.00 H new ATOM 125 N SER A 8 -5.554 -4.605 0.709 1.00 0.00 N ATOM 126 CA SER A 8 -5.107 -5.211 -0.538 1.00 0.00 C ATOM 127 C SER A 8 -3.585 -5.166 -0.622 1.00 0.00 C ATOM 128 O SER A 8 -2.918 -4.905 0.375 1.00 0.00 O ATOM 129 CB SER A 8 -5.742 -4.476 -1.723 1.00 0.00 C ATOM 130 OG SER A 8 -5.525 -5.158 -2.947 1.00 0.00 O ATOM 0 H SER A 8 -5.023 -3.782 0.992 1.00 0.00 H new ATOM 0 HA SER A 8 -5.419 -6.255 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.813 -4.369 -1.552 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.328 -3.470 -1.790 1.00 0.00 H new ATOM 0 HG SER A 8 -5.946 -4.660 -3.678 1.00 0.00 H new ATOM 136 N VAL A 9 -3.040 -5.430 -1.799 1.00 0.00 N ATOM 137 CA VAL A 9 -1.600 -5.404 -2.006 1.00 0.00 C ATOM 138 C VAL A 9 -1.274 -4.633 -3.280 1.00 0.00 C ATOM 139 O VAL A 9 -1.863 -4.887 -4.330 1.00 0.00 O ATOM 140 CB VAL A 9 -1.010 -6.832 -2.112 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.497 -6.782 -2.299 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.358 -7.661 -0.883 1.00 0.00 C ATOM 0 H VAL A 9 -3.578 -5.667 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.152 -4.912 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.454 -7.309 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.889 -7.797 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.732 -6.237 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.953 -6.277 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.931 -8.659 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.951 -7.181 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.441 -7.738 -0.791 1.00 0.00 H new ATOM 152 N VAL A 10 -0.353 -3.686 -3.182 1.00 0.00 N ATOM 153 CA VAL A 10 0.055 -2.905 -4.340 1.00 0.00 C ATOM 154 C VAL A 10 1.494 -3.259 -4.725 1.00 0.00 C ATOM 155 O VAL A 10 2.287 -3.673 -3.875 1.00 0.00 O ATOM 156 CB VAL A 10 -0.078 -1.382 -4.076 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.916 -0.917 -3.024 1.00 0.00 C ATOM 158 CG2 VAL A 10 0.084 -0.582 -5.362 1.00 0.00 C ATOM 0 H VAL A 10 0.125 -3.440 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.610 -3.153 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.083 -1.203 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.799 0.154 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.733 -1.449 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.930 -1.123 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.014 0.481 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.068 -0.775 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.686 -0.879 -6.075 1.00 0.00 H new ATOM 168 N ARG A 11 1.819 -3.110 -6.001 1.00 0.00 N ATOM 169 CA ARG A 11 3.129 -3.493 -6.506 1.00 0.00 C ATOM 170 C ARG A 11 4.085 -2.303 -6.456 1.00 0.00 C ATOM 171 O ARG A 11 3.739 -1.190 -6.863 1.00 0.00 O ATOM 172 CB ARG A 11 2.991 -4.054 -7.924 1.00 0.00 C ATOM 173 CG ARG A 11 1.899 -5.110 -8.024 1.00 0.00 C ATOM 174 CD ARG A 11 1.790 -5.715 -9.413 1.00 0.00 C ATOM 175 NE ARG A 11 0.582 -6.527 -9.536 1.00 0.00 N ATOM 176 CZ ARG A 11 0.554 -7.856 -9.448 1.00 0.00 C ATOM 177 NH1 ARG A 11 1.684 -8.540 -9.296 1.00 0.00 N ATOM 178 NH2 ARG A 11 -0.605 -8.499 -9.524 1.00 0.00 N ATOM 0 H ARG A 11 1.191 -2.725 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 11 3.550 -4.275 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.770 -3.240 -8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.942 -4.487 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.099 -5.902 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.943 -4.664 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.776 -4.921 -10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.668 -6.329 -9.616 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.301 -6.043 -9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.576 -8.047 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.659 -9.557 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.471 -7.976 -9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.629 -9.517 -9.457 1.00 0.00 H new ATOM 192 N VAL A 12 5.287 -2.547 -5.946 1.00 0.00 N ATOM 193 CA VAL A 12 6.213 -1.473 -5.614 1.00 0.00 C ATOM 194 C VAL A 12 7.508 -1.565 -6.417 1.00 0.00 C ATOM 195 O VAL A 12 8.121 -2.629 -6.529 1.00 0.00 O ATOM 196 CB VAL A 12 6.573 -1.497 -4.112 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.103 -0.146 -3.663 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.379 -1.914 -3.274 1.00 0.00 C ATOM 0 H VAL A 12 5.643 -3.483 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 12 5.703 -0.543 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 12 7.361 -2.236 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.350 -0.186 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.997 0.102 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.343 0.617 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.659 -1.923 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.563 -1.208 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.056 -2.911 -3.572 1.00 0.00 H new ATOM 208 N ARG A 13 7.919 -0.432 -6.962 1.00 0.00 N ATOM 209 CA ARG A 13 9.199 -0.315 -7.640 1.00 0.00 C ATOM 210 C ARG A 13 10.150 0.512 -6.784 1.00 0.00 C ATOM 211 O ARG A 13 9.791 0.936 -5.686 1.00 0.00 O ATOM 212 CB ARG A 13 9.034 0.369 -9.002 1.00 0.00 C ATOM 213 CG ARG A 13 8.126 -0.366 -9.971 1.00 0.00 C ATOM 214 CD ARG A 13 8.171 0.290 -11.343 1.00 0.00 C ATOM 215 NE ARG A 13 7.261 -0.339 -12.295 1.00 0.00 N ATOM 216 CZ ARG A 13 7.616 -1.315 -13.129 1.00 0.00 C ATOM 217 NH1 ARG A 13 8.861 -1.785 -13.129 1.00 0.00 N ATOM 218 NH2 ARG A 13 6.729 -1.815 -13.979 1.00 0.00 N ATOM 0 H ARG A 13 7.376 0.431 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 13 9.601 -1.317 -7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.639 1.373 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.017 0.481 -9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.435 -1.408 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.103 -0.364 -9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.917 1.345 -11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.188 0.242 -11.732 1.00 0.00 H new ATOM 0 HE ARG A 13 6.295 -0.012 -12.323 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.552 -1.398 -12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.124 -2.533 -13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.776 -1.452 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.000 -2.562 -14.618 1.00 0.00 H new ATOM 232 N GLY A 14 11.358 0.726 -7.274 1.00 0.00 N ATOM 233 CA GLY A 14 12.258 1.659 -6.627 1.00 0.00 C ATOM 234 C GLY A 14 13.251 0.993 -5.699 1.00 0.00 C ATOM 235 O GLY A 14 13.482 -0.216 -5.781 1.00 0.00 O ATOM 0 H GLY A 14 11.733 0.272 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.802 2.216 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.673 2.383 -6.061 1.00 0.00 H new ATOM 239 N SER A 15 13.832 1.788 -4.808 1.00 0.00 N ATOM 240 CA SER A 15 14.859 1.310 -3.895 1.00 0.00 C ATOM 241 C SER A 15 14.249 0.545 -2.721 1.00 0.00 C ATOM 242 O SER A 15 14.156 1.060 -1.606 1.00 0.00 O ATOM 243 CB SER A 15 15.682 2.494 -3.381 1.00 0.00 C ATOM 244 OG SER A 15 16.071 3.346 -4.449 1.00 0.00 O ATOM 0 H SER A 15 13.605 2.776 -4.700 1.00 0.00 H new ATOM 0 HA SER A 15 15.507 0.623 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.098 3.059 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.568 2.128 -2.862 1.00 0.00 H new ATOM 0 HG SER A 15 16.594 4.096 -4.096 1.00 0.00 H new ATOM 250 N LYS A 16 13.809 -0.676 -2.989 1.00 0.00 N ATOM 251 CA LYS A 16 13.261 -1.542 -1.954 1.00 0.00 C ATOM 252 C LYS A 16 13.561 -3.003 -2.264 1.00 0.00 C ATOM 253 O LYS A 16 13.980 -3.335 -3.374 1.00 0.00 O ATOM 254 CB LYS A 16 11.748 -1.313 -1.766 1.00 0.00 C ATOM 255 CG LYS A 16 11.022 -0.704 -2.966 1.00 0.00 C ATOM 256 CD LYS A 16 10.374 -1.750 -3.868 1.00 0.00 C ATOM 257 CE LYS A 16 11.390 -2.473 -4.737 1.00 0.00 C ATOM 258 NZ LYS A 16 10.747 -3.422 -5.684 1.00 0.00 N ATOM 0 H LYS A 16 13.821 -1.092 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 16 13.746 -1.285 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.280 -2.268 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.601 -0.661 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.256 -0.016 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.730 -0.117 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.842 -2.477 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.632 -1.268 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.972 -1.741 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.089 -3.016 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.390 -3.606 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.539 -4.315 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.862 -3.009 -6.042 1.00 0.00 H new ATOM 272 N LYS A 17 13.363 -3.869 -1.281 1.00 0.00 N ATOM 273 CA LYS A 17 13.677 -5.282 -1.445 1.00 0.00 C ATOM 274 C LYS A 17 12.476 -6.045 -1.999 1.00 0.00 C ATOM 275 O LYS A 17 12.611 -6.833 -2.934 1.00 0.00 O ATOM 276 CB LYS A 17 14.114 -5.884 -0.110 1.00 0.00 C ATOM 277 CG LYS A 17 15.051 -7.069 -0.260 1.00 0.00 C ATOM 278 CD LYS A 17 15.380 -7.692 1.084 1.00 0.00 C ATOM 279 CE LYS A 17 16.546 -8.664 0.980 1.00 0.00 C ATOM 280 NZ LYS A 17 17.830 -7.967 0.694 1.00 0.00 N ATOM 0 H LYS A 17 12.988 -3.621 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 17 14.497 -5.369 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.607 -5.114 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.230 -6.197 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.592 -7.817 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.971 -6.747 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.623 -6.907 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.504 -8.214 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.636 -9.222 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.344 -9.389 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.625 -8.601 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.865 -7.702 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.898 -7.111 1.281 1.00 0.00 H new ATOM 294 N TYR A 18 11.303 -5.799 -1.425 1.00 0.00 N ATOM 295 CA TYR A 18 10.084 -6.483 -1.853 1.00 0.00 C ATOM 296 C TYR A 18 9.469 -5.792 -3.058 1.00 0.00 C ATOM 297 O TYR A 18 9.703 -4.611 -3.286 1.00 0.00 O ATOM 298 CB TYR A 18 9.056 -6.537 -0.719 1.00 0.00 C ATOM 299 CG TYR A 18 9.488 -7.363 0.472 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.491 -8.751 0.419 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.882 -6.752 1.651 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.868 -9.504 1.513 1.00 0.00 C ATOM 303 CE2 TYR A 18 10.265 -7.499 2.749 1.00 0.00 C ATOM 304 CZ TYR A 18 10.259 -8.874 2.673 1.00 0.00 C ATOM 305 OH TYR A 18 10.634 -9.621 3.767 1.00 0.00 O ATOM 0 H TYR A 18 11.169 -5.133 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 18 10.362 -7.501 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.847 -5.521 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.123 -6.943 -1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.194 -9.249 -0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.890 -5.674 1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.856 -10.583 1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.567 -7.007 3.662 1.00 0.00 H new ATOM 0 HH TYR A 18 10.882 -9.023 4.502 1.00 0.00 H new ATOM 315 N ASN A 19 8.677 -6.529 -3.824 1.00 0.00 N ATOM 316 CA ASN A 19 8.054 -5.980 -5.025 1.00 0.00 C ATOM 317 C ASN A 19 6.582 -5.668 -4.779 1.00 0.00 C ATOM 318 O ASN A 19 5.899 -5.142 -5.653 1.00 0.00 O ATOM 319 CB ASN A 19 8.201 -6.951 -6.208 1.00 0.00 C ATOM 320 CG ASN A 19 7.317 -8.182 -6.094 1.00 0.00 C ATOM 321 OD1 ASN A 19 6.192 -8.203 -6.592 1.00 0.00 O ATOM 322 ND2 ASN A 19 7.821 -9.220 -5.448 1.00 0.00 N ATOM 0 H ASN A 19 8.450 -7.506 -3.638 1.00 0.00 H new ATOM 0 HA ASN A 19 8.567 -5.051 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.961 -6.425 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.242 -7.266 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.273 -10.075 -5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.758 -9.166 -5.048 1.00 0.00 H new ATOM 329 N VAL A 20 6.101 -5.991 -3.582 1.00 0.00 N ATOM 330 CA VAL A 20 4.708 -5.746 -3.217 1.00 0.00 C ATOM 331 C VAL A 20 4.588 -5.335 -1.753 1.00 0.00 C ATOM 332 O VAL A 20 5.351 -5.801 -0.904 1.00 0.00 O ATOM 333 CB VAL A 20 3.811 -6.988 -3.457 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.550 -7.195 -4.940 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.435 -8.236 -2.843 1.00 0.00 C ATOM 0 H VAL A 20 6.657 -6.425 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 20 4.364 -4.936 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 20 2.854 -6.808 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.919 -8.073 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.047 -6.318 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.497 -7.343 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.787 -9.094 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.410 -8.416 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.554 -8.092 -1.769 1.00 0.00 H new ATOM 345 N VAL A 21 3.641 -4.450 -1.467 1.00 0.00 N ATOM 346 CA VAL A 21 3.349 -4.063 -0.095 1.00 0.00 C ATOM 347 C VAL A 21 1.838 -4.062 0.150 1.00 0.00 C ATOM 348 O VAL A 21 1.067 -3.512 -0.641 1.00 0.00 O ATOM 349 CB VAL A 21 3.949 -2.674 0.259 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.321 -1.561 -0.567 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.800 -2.383 1.744 1.00 0.00 C ATOM 0 H VAL A 21 3.063 -3.987 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 21 3.819 -4.800 0.556 1.00 0.00 H new ATOM 0 HB VAL A 21 5.011 -2.708 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.767 -0.606 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.497 -1.750 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.248 -1.529 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.227 -1.406 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.743 -2.387 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.323 -3.148 2.319 1.00 0.00 H new ATOM 361 N PRO A 22 1.390 -4.735 1.219 1.00 0.00 N ATOM 362 CA PRO A 22 -0.017 -4.728 1.619 1.00 0.00 C ATOM 363 C PRO A 22 -0.472 -3.357 2.120 1.00 0.00 C ATOM 364 O PRO A 22 0.161 -2.748 2.989 1.00 0.00 O ATOM 365 CB PRO A 22 -0.084 -5.764 2.745 1.00 0.00 C ATOM 366 CG PRO A 22 1.308 -5.861 3.265 1.00 0.00 C ATOM 367 CD PRO A 22 2.211 -5.586 2.095 1.00 0.00 C ATOM 0 HA PRO A 22 -0.676 -4.957 0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.776 -5.452 3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.435 -6.727 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.476 -5.140 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.500 -6.850 3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.125 -5.079 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.510 -6.507 1.594 1.00 0.00 H new ATOM 375 N VAL A 23 -1.574 -2.884 1.562 1.00 0.00 N ATOM 376 CA VAL A 23 -2.139 -1.598 1.926 1.00 0.00 C ATOM 377 C VAL A 23 -3.513 -1.783 2.559 1.00 0.00 C ATOM 378 O VAL A 23 -4.145 -2.830 2.410 1.00 0.00 O ATOM 379 CB VAL A 23 -2.267 -0.666 0.703 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.899 -0.335 0.132 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.150 -1.297 -0.361 1.00 0.00 C ATOM 0 H VAL A 23 -2.101 -3.382 0.844 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.460 -1.137 2.643 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.734 0.263 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.014 0.323 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.298 0.164 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.402 -1.254 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.228 -0.624 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.713 -2.243 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.143 -1.477 0.050 1.00 0.00 H new ATOM 391 N LYS A 24 -3.967 -0.760 3.258 1.00 0.00 N ATOM 392 CA LYS A 24 -5.248 -0.794 3.938 1.00 0.00 C ATOM 393 C LYS A 24 -5.956 0.544 3.788 1.00 0.00 C ATOM 394 O LYS A 24 -5.414 1.478 3.198 1.00 0.00 O ATOM 395 CB LYS A 24 -5.046 -1.116 5.424 1.00 0.00 C ATOM 396 CG LYS A 24 -4.050 -0.192 6.110 1.00 0.00 C ATOM 397 CD LYS A 24 -3.868 -0.532 7.580 1.00 0.00 C ATOM 398 CE LYS A 24 -5.109 -0.206 8.394 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.898 -0.478 9.839 1.00 0.00 N ATOM 0 H LYS A 24 -3.459 0.117 3.370 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.864 -1.572 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.006 -1.049 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.703 -2.146 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.088 -0.257 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.390 0.839 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.635 -1.592 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.017 0.021 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.372 0.843 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.950 -0.797 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.764 -0.245 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.671 -1.484 9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.111 0.104 10.191 1.00 0.00 H new ATOM 413 N SER A 25 -7.154 0.633 4.336 1.00 0.00 N ATOM 414 CA SER A 25 -7.910 1.873 4.313 1.00 0.00 C ATOM 415 C SER A 25 -7.965 2.469 5.714 1.00 0.00 C ATOM 416 O SER A 25 -8.198 1.758 6.691 1.00 0.00 O ATOM 417 CB SER A 25 -9.321 1.605 3.800 1.00 0.00 C ATOM 418 OG SER A 25 -9.282 0.921 2.561 1.00 0.00 O ATOM 0 H SER A 25 -7.626 -0.141 4.804 1.00 0.00 H new ATOM 0 HA SER A 25 -7.420 2.583 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.872 1.013 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.856 2.547 3.684 1.00 0.00 H new ATOM 0 HG SER A 25 -8.860 0.045 2.684 1.00 0.00 H new ATOM 424 N ASN A 26 -7.723 3.767 5.811 1.00 0.00 N ATOM 425 CA ASN A 26 -7.751 4.454 7.098 1.00 0.00 C ATOM 426 C ASN A 26 -9.184 4.605 7.595 1.00 0.00 C ATOM 427 O ASN A 26 -9.426 4.772 8.790 1.00 0.00 O ATOM 428 CB ASN A 26 -7.063 5.822 7.000 1.00 0.00 C ATOM 429 CG ASN A 26 -7.756 6.795 6.056 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.488 6.401 5.147 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.511 8.078 6.256 1.00 0.00 N ATOM 0 H ASN A 26 -7.505 4.368 5.016 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.201 3.849 7.819 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.017 6.266 7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.035 5.678 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.934 8.779 5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.899 8.367 7.019 1.00 0.00 H new ATOM 438 N LYS A 27 -10.125 4.545 6.665 1.00 0.00 N ATOM 439 CA LYS A 27 -11.542 4.585 6.991 1.00 0.00 C ATOM 440 C LYS A 27 -12.270 3.473 6.244 1.00 0.00 C ATOM 441 O LYS A 27 -11.877 3.115 5.132 1.00 0.00 O ATOM 442 CB LYS A 27 -12.138 5.956 6.647 1.00 0.00 C ATOM 443 CG LYS A 27 -11.634 7.078 7.544 1.00 0.00 C ATOM 444 CD LYS A 27 -12.307 8.404 7.228 1.00 0.00 C ATOM 445 CE LYS A 27 -11.854 8.974 5.892 1.00 0.00 C ATOM 446 NZ LYS A 27 -10.412 9.339 5.901 1.00 0.00 N ATOM 0 H LYS A 27 -9.929 4.468 5.667 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.666 4.429 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.902 6.196 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.224 5.901 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.816 6.818 8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.555 7.181 7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.388 8.267 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.086 9.120 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.038 8.243 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.449 9.855 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.184 9.875 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.207 9.923 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.835 8.474 5.933 1.00 0.00 H new ATOM 460 N PRO A 28 -13.317 2.896 6.855 1.00 0.00 N ATOM 461 CA PRO A 28 -14.058 1.767 6.276 1.00 0.00 C ATOM 462 C PRO A 28 -14.750 2.124 4.964 1.00 0.00 C ATOM 463 O PRO A 28 -15.356 3.191 4.834 1.00 0.00 O ATOM 464 CB PRO A 28 -15.099 1.417 7.348 1.00 0.00 C ATOM 465 CG PRO A 28 -14.614 2.070 8.598 1.00 0.00 C ATOM 466 CD PRO A 28 -13.862 3.293 8.161 1.00 0.00 C ATOM 0 HA PRO A 28 -13.390 0.942 6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.087 1.784 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.184 0.338 7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.448 2.336 9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.970 1.398 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.516 4.161 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.072 3.555 8.865 1.00 0.00 H new ATOM 474 N VAL A 29 -14.670 1.216 4.001 1.00 0.00 N ATOM 475 CA VAL A 29 -15.258 1.431 2.691 1.00 0.00 C ATOM 476 C VAL A 29 -16.386 0.434 2.444 1.00 0.00 C ATOM 477 O VAL A 29 -16.464 -0.604 3.105 1.00 0.00 O ATOM 478 CB VAL A 29 -14.203 1.300 1.568 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.090 2.325 1.743 1.00 0.00 C ATOM 480 CG2 VAL A 29 -13.634 -0.110 1.525 1.00 0.00 C ATOM 0 H VAL A 29 -14.199 0.317 4.107 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.656 2.446 2.675 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.697 1.498 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.361 2.211 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -13.512 3.329 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.599 2.169 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.894 -0.180 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.162 -0.341 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.438 -0.821 1.337 1.00 0.00 H new ATOM 490 N GLU A 30 -17.267 0.748 1.505 1.00 0.00 N ATOM 491 CA GLU A 30 -18.346 -0.162 1.152 1.00 0.00 C ATOM 492 C GLU A 30 -17.776 -1.392 0.461 1.00 0.00 C ATOM 493 O GLU A 30 -16.865 -1.279 -0.358 1.00 0.00 O ATOM 494 CB GLU A 30 -19.359 0.527 0.239 1.00 0.00 C ATOM 495 CG GLU A 30 -19.961 1.784 0.840 1.00 0.00 C ATOM 496 CD GLU A 30 -21.007 2.418 -0.052 1.00 0.00 C ATOM 497 OE1 GLU A 30 -20.739 2.597 -1.254 1.00 0.00 O ATOM 498 OE2 GLU A 30 -22.105 2.742 0.445 1.00 0.00 O ATOM 0 H GLU A 30 -17.256 1.621 0.977 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.858 -0.465 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.873 0.781 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.160 -0.174 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.410 1.542 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.167 2.506 1.031 1.00 0.00 H new ATOM 505 N ILE A 31 -18.317 -2.559 0.786 1.00 0.00 N ATOM 506 CA ILE A 31 -17.819 -3.818 0.234 1.00 0.00 C ATOM 507 C ILE A 31 -17.927 -3.848 -1.289 1.00 0.00 C ATOM 508 O ILE A 31 -17.149 -4.520 -1.964 1.00 0.00 O ATOM 509 CB ILE A 31 -18.563 -5.034 0.828 1.00 0.00 C ATOM 510 CG1 ILE A 31 -20.079 -4.894 0.632 1.00 0.00 C ATOM 511 CG2 ILE A 31 -18.218 -5.188 2.303 1.00 0.00 C ATOM 512 CD1 ILE A 31 -20.872 -6.087 1.120 1.00 0.00 C ATOM 0 H ILE A 31 -19.102 -2.663 1.429 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.767 -3.882 0.511 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.240 -5.932 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -20.423 -4.002 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -20.286 -4.741 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -18.748 -6.048 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -17.144 -5.338 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.515 -4.288 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -21.934 -5.913 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -20.558 -6.979 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -20.696 -6.229 2.186 1.00 0.00 H new ATOM 524 N SER A 32 -18.881 -3.099 -1.826 1.00 0.00 N ATOM 525 CA SER A 32 -19.091 -3.041 -3.263 1.00 0.00 C ATOM 526 C SER A 32 -18.008 -2.202 -3.944 1.00 0.00 C ATOM 527 O SER A 32 -17.803 -2.305 -5.151 1.00 0.00 O ATOM 528 CB SER A 32 -20.471 -2.453 -3.552 1.00 0.00 C ATOM 529 OG SER A 32 -21.460 -3.071 -2.745 1.00 0.00 O ATOM 0 H SER A 32 -19.523 -2.521 -1.284 1.00 0.00 H new ATOM 0 HA SER A 32 -19.033 -4.053 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.461 -1.379 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.717 -2.590 -4.605 1.00 0.00 H new ATOM 0 HG SER A 32 -22.336 -2.679 -2.944 1.00 0.00 H new ATOM 535 N LYS A 33 -17.298 -1.390 -3.161 1.00 0.00 N ATOM 536 CA LYS A 33 -16.281 -0.503 -3.712 1.00 0.00 C ATOM 537 C LYS A 33 -14.916 -1.177 -3.743 1.00 0.00 C ATOM 538 O LYS A 33 -13.954 -0.621 -4.274 1.00 0.00 O ATOM 539 CB LYS A 33 -16.201 0.800 -2.913 1.00 0.00 C ATOM 540 CG LYS A 33 -17.448 1.658 -3.025 1.00 0.00 C ATOM 541 CD LYS A 33 -17.206 3.070 -2.513 1.00 0.00 C ATOM 542 CE LYS A 33 -18.436 3.943 -2.697 1.00 0.00 C ATOM 543 NZ LYS A 33 -18.872 4.006 -4.118 1.00 0.00 N ATOM 0 H LYS A 33 -17.409 -1.330 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.573 -0.270 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.026 0.563 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.342 1.376 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.770 1.698 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.258 1.199 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.937 3.035 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.362 3.511 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.250 3.554 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.222 4.950 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.513 4.814 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.040 4.121 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.368 3.127 -4.368 1.00 0.00 H new ATOM 557 N TRP A 34 -14.836 -2.380 -3.183 1.00 0.00 N ATOM 558 CA TRP A 34 -13.589 -3.140 -3.180 1.00 0.00 C ATOM 559 C TRP A 34 -13.108 -3.392 -4.603 1.00 0.00 C ATOM 560 O TRP A 34 -11.906 -3.458 -4.861 1.00 0.00 O ATOM 561 CB TRP A 34 -13.769 -4.467 -2.441 1.00 0.00 C ATOM 562 CG TRP A 34 -13.709 -4.334 -0.949 1.00 0.00 C ATOM 563 CD1 TRP A 34 -14.427 -3.478 -0.164 1.00 0.00 C ATOM 564 CD2 TRP A 34 -12.885 -5.096 -0.060 1.00 0.00 C ATOM 565 NE1 TRP A 34 -14.090 -3.652 1.157 1.00 0.00 N ATOM 566 CE2 TRP A 34 -13.149 -4.643 1.246 1.00 0.00 C ATOM 567 CE3 TRP A 34 -11.946 -6.117 -0.243 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -12.509 -5.176 2.361 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.313 -6.646 0.865 1.00 0.00 C ATOM 570 CH2 TRP A 34 -11.597 -6.175 2.151 1.00 0.00 C ATOM 0 H TRP A 34 -15.618 -2.850 -2.726 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.835 -2.550 -2.659 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.728 -4.902 -2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.996 -5.163 -2.767 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.154 -2.767 -0.528 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.477 -3.129 1.942 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -11.720 -6.485 -1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.724 -4.815 3.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.587 -7.436 0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -11.085 -6.609 2.997 1.00 0.00 H new ATOM 581 N ILE A 35 -14.055 -3.513 -5.524 1.00 0.00 N ATOM 582 CA ILE A 35 -13.737 -3.698 -6.931 1.00 0.00 C ATOM 583 C ILE A 35 -13.098 -2.436 -7.504 1.00 0.00 C ATOM 584 O ILE A 35 -12.049 -2.496 -8.148 1.00 0.00 O ATOM 585 CB ILE A 35 -14.997 -4.050 -7.748 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.659 -5.308 -7.176 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.643 -4.247 -9.217 1.00 0.00 C ATOM 588 CD1 ILE A 35 -16.980 -5.658 -7.828 1.00 0.00 C ATOM 0 H ILE A 35 -15.054 -3.486 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.033 -4.527 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.704 -3.223 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.975 -6.149 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.819 -5.168 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.544 -4.495 -9.778 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.210 -3.329 -9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.922 -5.059 -9.312 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.385 -6.560 -7.368 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.682 -4.835 -7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.825 -5.832 -8.893 1.00 0.00 H new ATOM 600 N ASP A 36 -13.726 -1.293 -7.234 1.00 0.00 N ATOM 601 CA ASP A 36 -13.253 -0.002 -7.731 1.00 0.00 C ATOM 602 C ASP A 36 -11.818 0.243 -7.294 1.00 0.00 C ATOM 603 O ASP A 36 -10.954 0.566 -8.108 1.00 0.00 O ATOM 604 CB ASP A 36 -14.134 1.140 -7.209 1.00 0.00 C ATOM 605 CG ASP A 36 -15.597 0.964 -7.553 1.00 0.00 C ATOM 606 OD1 ASP A 36 -16.316 0.296 -6.781 1.00 0.00 O ATOM 607 OD2 ASP A 36 -16.042 1.494 -8.591 1.00 0.00 O ATOM 0 H ASP A 36 -14.572 -1.235 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.305 -0.027 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.027 1.208 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.780 2.083 -7.624 1.00 0.00 H new ATOM 612 N PHE A 37 -11.574 0.075 -6.001 1.00 0.00 N ATOM 613 CA PHE A 37 -10.251 0.289 -5.434 1.00 0.00 C ATOM 614 C PHE A 37 -9.232 -0.691 -6.013 1.00 0.00 C ATOM 615 O PHE A 37 -8.083 -0.325 -6.256 1.00 0.00 O ATOM 616 CB PHE A 37 -10.297 0.170 -3.909 1.00 0.00 C ATOM 617 CG PHE A 37 -10.889 1.369 -3.217 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.250 1.630 -3.275 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.080 2.235 -2.500 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.789 2.729 -2.635 1.00 0.00 C ATOM 621 CE2 PHE A 37 -10.614 3.336 -1.857 1.00 0.00 C ATOM 622 CZ PHE A 37 -11.970 3.583 -1.926 1.00 0.00 C ATOM 0 H PHE A 37 -12.280 -0.210 -5.322 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.934 1.298 -5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.877 -0.714 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.285 0.012 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.897 0.965 -3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.018 2.048 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.851 2.919 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -9.971 4.002 -1.301 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.389 4.443 -1.426 1.00 0.00 H new ATOM 632 N SER A 38 -9.658 -1.927 -6.254 1.00 0.00 N ATOM 633 CA SER A 38 -8.776 -2.935 -6.832 1.00 0.00 C ATOM 634 C SER A 38 -8.332 -2.536 -8.237 1.00 0.00 C ATOM 635 O SER A 38 -7.161 -2.688 -8.588 1.00 0.00 O ATOM 636 CB SER A 38 -9.462 -4.302 -6.860 1.00 0.00 C ATOM 637 OG SER A 38 -9.692 -4.780 -5.545 1.00 0.00 O ATOM 0 H SER A 38 -10.604 -2.254 -6.059 1.00 0.00 H new ATOM 0 HA SER A 38 -7.890 -3.003 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.409 -4.227 -7.395 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.842 -5.013 -7.407 1.00 0.00 H new ATOM 0 HG SER A 38 -10.546 -4.431 -5.215 1.00 0.00 H new ATOM 643 N ASN A 39 -9.261 -2.011 -9.026 1.00 0.00 N ATOM 644 CA ASN A 39 -8.955 -1.554 -10.382 1.00 0.00 C ATOM 645 C ASN A 39 -7.949 -0.408 -10.350 1.00 0.00 C ATOM 646 O ASN A 39 -7.090 -0.294 -11.226 1.00 0.00 O ATOM 647 CB ASN A 39 -10.232 -1.107 -11.101 1.00 0.00 C ATOM 648 CG ASN A 39 -11.104 -2.268 -11.543 1.00 0.00 C ATOM 649 OD1 ASN A 39 -11.077 -3.350 -10.954 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.885 -2.052 -12.590 1.00 0.00 N ATOM 0 H ASN A 39 -10.236 -1.890 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.517 -2.389 -10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.807 -0.460 -10.439 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.961 -0.511 -11.973 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.492 -2.795 -12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.879 -1.142 -13.051 1.00 0.00 H new ATOM 657 N VAL A 40 -8.058 0.432 -9.331 1.00 0.00 N ATOM 658 CA VAL A 40 -7.144 1.551 -9.156 1.00 0.00 C ATOM 659 C VAL A 40 -5.753 1.052 -8.767 1.00 0.00 C ATOM 660 O VAL A 40 -4.753 1.442 -9.368 1.00 0.00 O ATOM 661 CB VAL A 40 -7.669 2.533 -8.082 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.727 3.710 -7.896 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.055 3.028 -8.451 1.00 0.00 C ATOM 0 H VAL A 40 -8.775 0.359 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.078 2.080 -10.107 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.722 1.992 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.127 4.379 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.748 3.347 -7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.629 4.250 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.411 3.718 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.014 3.541 -9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.737 2.181 -8.521 1.00 0.00 H new ATOM 673 N LEU A 41 -5.705 0.164 -7.779 1.00 0.00 N ATOM 674 CA LEU A 41 -4.443 -0.382 -7.286 1.00 0.00 C ATOM 675 C LEU A 41 -3.728 -1.208 -8.346 1.00 0.00 C ATOM 676 O LEU A 41 -2.511 -1.145 -8.480 1.00 0.00 O ATOM 677 CB LEU A 41 -4.684 -1.236 -6.044 1.00 0.00 C ATOM 678 CG LEU A 41 -4.543 -0.494 -4.719 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.584 0.609 -4.583 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.632 -1.463 -3.555 1.00 0.00 C ATOM 0 H LEU A 41 -6.531 -0.195 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.803 0.462 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.686 -1.661 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.983 -2.071 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.561 -0.022 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.454 1.116 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.462 1.327 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.583 0.175 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.529 -0.916 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.597 -1.969 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.834 -2.201 -3.634 1.00 0.00 H new ATOM 692 N SER A 42 -4.494 -1.976 -9.096 1.00 0.00 N ATOM 693 CA SER A 42 -3.940 -2.812 -10.161 1.00 0.00 C ATOM 694 C SER A 42 -3.350 -1.967 -11.293 1.00 0.00 C ATOM 695 O SER A 42 -2.652 -2.482 -12.168 1.00 0.00 O ATOM 696 CB SER A 42 -5.017 -3.745 -10.714 1.00 0.00 C ATOM 697 OG SER A 42 -5.565 -4.555 -9.687 1.00 0.00 O ATOM 0 H SER A 42 -5.506 -2.043 -8.992 1.00 0.00 H new ATOM 0 HA SER A 42 -3.133 -3.405 -9.730 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.808 -3.157 -11.179 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.590 -4.378 -11.492 1.00 0.00 H new ATOM 0 HG SER A 42 -6.196 -4.027 -9.155 1.00 0.00 H new ATOM 703 N ARG A 43 -3.642 -0.675 -11.272 1.00 0.00 N ATOM 704 CA ARG A 43 -3.121 0.251 -12.266 1.00 0.00 C ATOM 705 C ARG A 43 -2.008 1.103 -11.652 1.00 0.00 C ATOM 706 O ARG A 43 -1.288 1.816 -12.354 1.00 0.00 O ATOM 707 CB ARG A 43 -4.260 1.144 -12.778 1.00 0.00 C ATOM 708 CG ARG A 43 -3.871 2.066 -13.924 1.00 0.00 C ATOM 709 CD ARG A 43 -3.457 1.282 -15.159 1.00 0.00 C ATOM 710 NE ARG A 43 -4.519 0.392 -15.630 1.00 0.00 N ATOM 711 CZ ARG A 43 -4.576 -0.112 -16.860 1.00 0.00 C ATOM 712 NH1 ARG A 43 -3.662 0.219 -17.763 1.00 0.00 N ATOM 713 NH2 ARG A 43 -5.558 -0.945 -17.186 1.00 0.00 N ATOM 0 H ARG A 43 -4.242 -0.241 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.705 -0.309 -13.104 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.085 0.509 -13.103 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.630 1.749 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.711 2.716 -14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.050 2.711 -13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.188 1.976 -15.955 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.567 0.695 -14.933 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.261 0.143 -14.975 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.911 0.863 -17.516 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.711 -0.171 -18.704 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.265 -1.196 -16.494 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.605 -1.334 -18.128 1.00 0.00 H new ATOM 727 N LEU A 44 -1.857 0.996 -10.341 1.00 0.00 N ATOM 728 CA LEU A 44 -0.959 1.862 -9.596 1.00 0.00 C ATOM 729 C LEU A 44 0.372 1.179 -9.313 1.00 0.00 C ATOM 730 O LEU A 44 0.423 0.094 -8.734 1.00 0.00 O ATOM 731 CB LEU A 44 -1.613 2.281 -8.279 1.00 0.00 C ATOM 732 CG LEU A 44 -0.784 3.226 -7.411 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.664 4.594 -8.062 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.396 3.340 -6.028 1.00 0.00 C ATOM 0 H LEU A 44 -2.350 0.311 -9.768 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.763 2.743 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.566 2.761 -8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.835 1.384 -7.701 1.00 0.00 H new ATOM 0 HG LEU A 44 0.220 2.813 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.069 5.249 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.179 4.494 -9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.658 5.022 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.796 4.016 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.411 3.730 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.422 2.356 -5.559 1.00 0.00 H new ATOM 746 N TYR A 45 1.447 1.823 -9.737 1.00 0.00 N ATOM 747 CA TYR A 45 2.790 1.378 -9.411 1.00 0.00 C ATOM 748 C TYR A 45 3.562 2.516 -8.761 1.00 0.00 C ATOM 749 O TYR A 45 3.779 3.563 -9.376 1.00 0.00 O ATOM 750 CB TYR A 45 3.524 0.888 -10.660 1.00 0.00 C ATOM 751 CG TYR A 45 3.084 -0.482 -11.133 1.00 0.00 C ATOM 752 CD1 TYR A 45 1.914 -0.652 -11.864 1.00 0.00 C ATOM 753 CD2 TYR A 45 3.848 -1.606 -10.846 1.00 0.00 C ATOM 754 CE1 TYR A 45 1.518 -1.904 -12.295 1.00 0.00 C ATOM 755 CE2 TYR A 45 3.460 -2.860 -11.274 1.00 0.00 C ATOM 756 CZ TYR A 45 2.293 -3.005 -11.997 1.00 0.00 C ATOM 757 OH TYR A 45 1.904 -4.253 -12.425 1.00 0.00 O ATOM 0 H TYR A 45 1.413 2.664 -10.313 1.00 0.00 H new ATOM 0 HA TYR A 45 2.719 0.544 -8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.370 1.606 -11.465 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.594 0.864 -10.455 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.305 0.208 -12.099 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.761 -1.497 -10.279 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.606 -2.019 -12.862 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.067 -3.723 -11.044 1.00 0.00 H new ATOM 0 HH TYR A 45 2.658 -4.875 -12.349 1.00 0.00 H new ATOM 767 N VAL A 46 3.956 2.316 -7.513 1.00 0.00 N ATOM 768 CA VAL A 46 4.676 3.341 -6.765 1.00 0.00 C ATOM 769 C VAL A 46 6.146 2.971 -6.638 1.00 0.00 C ATOM 770 O VAL A 46 6.575 1.952 -7.173 1.00 0.00 O ATOM 771 CB VAL A 46 4.069 3.548 -5.361 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.669 4.133 -5.466 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.048 2.240 -4.581 1.00 0.00 C ATOM 0 H VAL A 46 3.790 1.453 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 46 4.584 4.276 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 46 4.698 4.255 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.257 4.272 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.714 5.095 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.031 3.452 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.616 2.411 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.447 1.506 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.066 1.866 -4.471 1.00 0.00 H new ATOM 783 N GLY A 47 6.918 3.793 -5.941 1.00 0.00 N ATOM 784 CA GLY A 47 8.332 3.513 -5.793 1.00 0.00 C ATOM 785 C GLY A 47 8.921 4.056 -4.512 1.00 0.00 C ATOM 786 O GLY A 47 9.982 4.680 -4.520 1.00 0.00 O ATOM 0 H GLY A 47 6.594 4.642 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.487 2.435 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.870 3.939 -6.640 1.00 0.00 H new ATOM 790 N VAL A 48 8.236 3.816 -3.413 1.00 0.00 N ATOM 791 CA VAL A 48 8.691 4.282 -2.108 1.00 0.00 C ATOM 792 C VAL A 48 8.645 3.155 -1.078 1.00 0.00 C ATOM 793 O VAL A 48 7.587 2.581 -0.826 1.00 0.00 O ATOM 794 CB VAL A 48 7.834 5.464 -1.591 1.00 0.00 C ATOM 795 CG1 VAL A 48 8.350 5.957 -0.247 1.00 0.00 C ATOM 796 CG2 VAL A 48 7.809 6.603 -2.602 1.00 0.00 C ATOM 0 H VAL A 48 7.357 3.299 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 48 9.719 4.620 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 48 6.814 5.105 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.733 6.787 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.305 5.146 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.382 6.291 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.201 7.420 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.825 6.958 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.384 6.247 -3.540 1.00 0.00 H new ATOM 806 N PRO A 49 9.801 2.804 -0.491 1.00 0.00 N ATOM 807 CA PRO A 49 9.866 1.838 0.609 1.00 0.00 C ATOM 808 C PRO A 49 9.340 2.439 1.914 1.00 0.00 C ATOM 809 O PRO A 49 10.057 3.156 2.618 1.00 0.00 O ATOM 810 CB PRO A 49 11.356 1.516 0.716 1.00 0.00 C ATOM 811 CG PRO A 49 12.050 2.717 0.170 1.00 0.00 C ATOM 812 CD PRO A 49 11.133 3.309 -0.868 1.00 0.00 C ATOM 0 HA PRO A 49 9.251 0.956 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.646 1.328 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.608 0.621 0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.257 3.438 0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.009 2.444 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.166 4.398 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.411 2.993 -1.874 1.00 0.00 H new ATOM 820 N THR A 50 8.084 2.155 2.215 1.00 0.00 N ATOM 821 CA THR A 50 7.391 2.775 3.335 1.00 0.00 C ATOM 822 C THR A 50 7.407 1.911 4.590 1.00 0.00 C ATOM 823 O THR A 50 7.800 0.751 4.552 1.00 0.00 O ATOM 824 CB THR A 50 5.932 3.038 2.952 1.00 0.00 C ATOM 825 OG1 THR A 50 5.383 1.857 2.347 1.00 0.00 O ATOM 826 CG2 THR A 50 5.820 4.212 1.992 1.00 0.00 C ATOM 0 H THR A 50 7.515 1.489 1.692 1.00 0.00 H new ATOM 0 HA THR A 50 7.918 3.703 3.556 1.00 0.00 H new ATOM 0 HB THR A 50 5.373 3.288 3.854 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.407 1.866 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.773 4.375 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.223 5.108 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.384 3.995 1.085 1.00 0.00 H new ATOM 834 N LYS A 51 6.973 2.497 5.698 1.00 0.00 N ATOM 835 CA LYS A 51 6.761 1.765 6.939 1.00 0.00 C ATOM 836 C LYS A 51 5.283 1.416 7.084 1.00 0.00 C ATOM 837 O LYS A 51 4.575 1.228 6.093 1.00 0.00 O ATOM 838 CB LYS A 51 7.214 2.607 8.134 1.00 0.00 C ATOM 839 CG LYS A 51 8.697 2.933 8.130 1.00 0.00 C ATOM 840 CD LYS A 51 9.087 3.709 9.376 1.00 0.00 C ATOM 841 CE LYS A 51 10.553 4.105 9.359 1.00 0.00 C ATOM 842 NZ LYS A 51 10.855 5.080 8.280 1.00 0.00 N ATOM 0 H LYS A 51 6.758 3.492 5.762 1.00 0.00 H new ATOM 0 HA LYS A 51 7.348 0.847 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.647 3.538 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.971 2.075 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.276 2.011 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.942 3.516 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.470 4.604 9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.884 3.103 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.823 4.536 10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.167 3.215 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.805 5.476 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.818 4.600 7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.153 5.847 8.299 1.00 0.00 H new ATOM 856 N SER A 52 4.824 1.335 8.315 1.00 0.00 N ATOM 857 CA SER A 52 3.414 1.111 8.593 1.00 0.00 C ATOM 858 C SER A 52 2.669 2.436 8.766 1.00 0.00 C ATOM 859 O SER A 52 3.005 3.241 9.636 1.00 0.00 O ATOM 860 CB SER A 52 3.266 0.239 9.841 1.00 0.00 C ATOM 861 OG SER A 52 4.276 0.537 10.791 1.00 0.00 O ATOM 0 H SER A 52 5.408 1.421 9.147 1.00 0.00 H new ATOM 0 HA SER A 52 2.970 0.593 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.284 0.399 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.322 -0.813 9.563 1.00 0.00 H new ATOM 0 HG SER A 52 5.102 0.068 10.549 1.00 0.00 H new ATOM 867 N GLY A 53 1.679 2.670 7.912 1.00 0.00 N ATOM 868 CA GLY A 53 0.868 3.868 8.018 1.00 0.00 C ATOM 869 C GLY A 53 1.375 4.982 7.127 1.00 0.00 C ATOM 870 O GLY A 53 1.708 6.065 7.606 1.00 0.00 O ATOM 0 H GLY A 53 1.423 2.048 7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.162 3.632 7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.859 4.209 9.053 1.00 0.00 H new ATOM 874 N ASN A 54 1.449 4.715 5.829 1.00 0.00 N ATOM 875 CA ASN A 54 1.925 5.708 4.865 1.00 0.00 C ATOM 876 C ASN A 54 0.923 5.858 3.736 1.00 0.00 C ATOM 877 O ASN A 54 0.501 4.867 3.144 1.00 0.00 O ATOM 878 CB ASN A 54 3.293 5.308 4.314 1.00 0.00 C ATOM 879 CG ASN A 54 4.319 5.172 5.416 1.00 0.00 C ATOM 880 OD1 ASN A 54 4.352 4.008 6.032 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 5.064 6.104 5.720 1.00 0.00 N flip ATOM 0 H ASN A 54 1.186 3.820 5.416 1.00 0.00 H new ATOM 0 HA ASN A 54 2.028 6.667 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.208 4.363 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.628 6.055 3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.005 6.989 5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.740 5.991 6.475 1.00 0.00 H new ATOM 888 N VAL A 55 0.543 7.089 3.443 1.00 0.00 N ATOM 889 CA VAL A 55 -0.515 7.347 2.482 1.00 0.00 C ATOM 890 C VAL A 55 -0.004 7.230 1.050 1.00 0.00 C ATOM 891 O VAL A 55 0.778 8.058 0.583 1.00 0.00 O ATOM 892 CB VAL A 55 -1.134 8.746 2.685 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.280 8.972 1.715 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.603 8.928 4.120 1.00 0.00 C ATOM 0 H VAL A 55 0.952 7.927 3.857 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.282 6.592 2.651 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.363 9.489 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.702 9.964 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.911 8.895 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.051 8.219 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.035 9.922 4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.355 8.175 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.755 8.818 4.796 1.00 0.00 H new ATOM 904 N VAL A 56 -0.455 6.191 0.364 1.00 0.00 N ATOM 905 CA VAL A 56 -0.123 5.988 -1.037 1.00 0.00 C ATOM 906 C VAL A 56 -1.077 6.796 -1.914 1.00 0.00 C ATOM 907 O VAL A 56 -0.668 7.427 -2.890 1.00 0.00 O ATOM 908 CB VAL A 56 -0.213 4.495 -1.422 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.223 4.279 -2.862 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.622 3.645 -0.476 1.00 0.00 C ATOM 0 H VAL A 56 -1.057 5.469 0.760 1.00 0.00 H new ATOM 0 HA VAL A 56 0.902 6.323 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.254 4.185 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.151 3.220 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.423 4.852 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.254 4.610 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.545 2.597 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.664 3.960 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.256 3.769 0.543 1.00 0.00 H new ATOM 920 N CYS A 57 -2.353 6.769 -1.556 1.00 0.00 N ATOM 921 CA CYS A 57 -3.370 7.525 -2.272 1.00 0.00 C ATOM 922 C CYS A 57 -4.222 8.324 -1.298 1.00 0.00 C ATOM 923 O CYS A 57 -5.078 7.769 -0.605 1.00 0.00 O ATOM 924 CB CYS A 57 -4.248 6.593 -3.110 1.00 0.00 C ATOM 925 SG CYS A 57 -3.336 5.643 -4.345 1.00 0.00 S ATOM 0 H CYS A 57 -2.710 6.228 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.869 8.220 -2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.766 5.902 -2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.012 7.185 -3.613 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.160 4.883 -5.003 1.00 0.00 H new ATOM 931 N LYS A 58 -3.968 9.621 -1.234 1.00 0.00 N ATOM 932 CA LYS A 58 -4.690 10.508 -0.337 1.00 0.00 C ATOM 933 C LYS A 58 -5.998 10.962 -0.973 1.00 0.00 C ATOM 934 O LYS A 58 -6.007 11.456 -2.106 1.00 0.00 O ATOM 935 CB LYS A 58 -3.815 11.712 0.024 1.00 0.00 C ATOM 936 CG LYS A 58 -4.512 12.758 0.881 1.00 0.00 C ATOM 937 CD LYS A 58 -3.526 13.770 1.441 1.00 0.00 C ATOM 938 CE LYS A 58 -2.639 14.352 0.353 1.00 0.00 C ATOM 939 NZ LYS A 58 -1.677 15.349 0.886 1.00 0.00 N ATOM 0 H LYS A 58 -3.259 10.087 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.930 9.966 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.930 11.358 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.470 12.184 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.265 13.274 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.036 12.267 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.071 14.574 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.906 13.292 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.091 13.547 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.262 14.822 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.094 15.719 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.198 16.132 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.064 14.896 1.594 1.00 0.00 H new ATOM 953 N ASN A 59 -7.089 10.792 -0.230 1.00 0.00 N ATOM 954 CA ASN A 59 -8.431 11.139 -0.696 1.00 0.00 C ATOM 955 C ASN A 59 -8.731 10.439 -2.020 1.00 0.00 C ATOM 956 O ASN A 59 -9.122 11.068 -3.007 1.00 0.00 O ATOM 957 CB ASN A 59 -8.572 12.656 -0.843 1.00 0.00 C ATOM 958 CG ASN A 59 -10.017 13.122 -0.793 1.00 0.00 C ATOM 959 OD1 ASN A 59 -10.696 13.224 -1.817 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.494 13.415 0.407 1.00 0.00 N ATOM 0 H ASN A 59 -7.068 10.409 0.715 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.155 10.799 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.009 13.147 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.127 12.967 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.456 13.738 0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.899 13.317 1.230 1.00 0.00 H new ATOM 967 N ILE A 60 -8.544 9.128 -2.032 1.00 0.00 N ATOM 968 CA ILE A 60 -8.758 8.340 -3.235 1.00 0.00 C ATOM 969 C ILE A 60 -10.253 8.160 -3.495 1.00 0.00 C ATOM 970 O ILE A 60 -11.031 7.926 -2.564 1.00 0.00 O ATOM 971 CB ILE A 60 -8.062 6.958 -3.143 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.270 6.160 -4.435 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.570 6.177 -1.942 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.572 4.815 -4.441 1.00 0.00 C ATOM 0 H ILE A 60 -8.244 8.587 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.313 8.884 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.993 7.124 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.338 6.005 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.910 6.750 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.068 5.211 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.362 6.736 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.645 6.023 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.765 4.309 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.499 4.962 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.949 4.206 -3.620 1.00 0.00 H new ATOM 986 N MET A 61 -10.650 8.334 -4.757 1.00 0.00 N ATOM 987 CA MET A 61 -12.041 8.158 -5.179 1.00 0.00 C ATOM 988 C MET A 61 -12.956 9.195 -4.534 1.00 0.00 C ATOM 989 O MET A 61 -14.180 9.058 -4.556 1.00 0.00 O ATOM 990 CB MET A 61 -12.527 6.737 -4.878 1.00 0.00 C ATOM 991 CG MET A 61 -12.044 5.711 -5.893 1.00 0.00 C ATOM 992 SD MET A 61 -12.846 5.912 -7.499 1.00 0.00 S ATOM 993 CE MET A 61 -12.237 4.475 -8.379 1.00 0.00 C ATOM 0 H MET A 61 -10.019 8.600 -5.513 1.00 0.00 H new ATOM 0 HA MET A 61 -12.080 8.310 -6.258 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.185 6.445 -3.885 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.617 6.730 -4.854 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.965 5.802 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.239 4.708 -5.514 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.986 4.144 -9.098 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.318 4.733 -8.906 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.035 3.672 -7.670 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.335 10.227 -3.957 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.040 11.391 -3.414 1.00 0.00 C ATOM 1005 C ASN A 62 -13.978 11.025 -2.266 1.00 0.00 C ATOM 1006 O ASN A 62 -14.800 11.839 -1.849 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.823 12.119 -4.515 1.00 0.00 C ATOM 1008 CG ASN A 62 -12.924 12.761 -5.558 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -11.830 12.271 -5.848 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -13.377 13.869 -6.126 1.00 0.00 N ATOM 0 H ASN A 62 -11.322 10.279 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.275 12.057 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.492 11.412 -5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.449 12.887 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.815 14.348 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.288 14.243 -5.859 1.00 0.00 H new ATOM 1017 N THR A 63 -13.846 9.815 -1.736 1.00 0.00 N ATOM 1018 CA THR A 63 -14.680 9.389 -0.622 1.00 0.00 C ATOM 1019 C THR A 63 -14.045 9.797 0.707 1.00 0.00 C ATOM 1020 O THR A 63 -14.649 9.657 1.772 1.00 0.00 O ATOM 1021 CB THR A 63 -14.931 7.864 -0.645 1.00 0.00 C ATOM 1022 OG1 THR A 63 -15.812 7.487 0.424 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.626 7.087 -0.534 1.00 0.00 C ATOM 0 H THR A 63 -13.175 9.117 -2.057 1.00 0.00 H new ATOM 0 HA THR A 63 -15.644 9.887 -0.726 1.00 0.00 H new ATOM 0 HB THR A 63 -15.396 7.619 -1.600 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.790 8.173 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.836 6.018 -0.553 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.977 7.344 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.129 7.342 0.402 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.821 10.304 0.636 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.138 10.767 1.828 1.00 0.00 C ATOM 1033 C GLY A 64 -11.203 9.727 2.404 1.00 0.00 C ATOM 1034 O GLY A 64 -10.395 10.030 3.276 1.00 0.00 O ATOM 0 H GLY A 64 -12.288 10.403 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.572 11.668 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.876 11.043 2.581 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.316 8.496 1.930 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.441 7.427 2.385 1.00 0.00 C ATOM 1040 C VAL A 65 -9.047 7.607 1.810 1.00 0.00 C ATOM 1041 O VAL A 65 -8.881 7.968 0.643 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.994 6.031 2.004 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.987 4.931 2.314 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.296 5.761 2.738 1.00 0.00 C ATOM 0 H VAL A 65 -12.004 8.213 1.232 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.394 7.482 3.473 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.179 6.030 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.406 3.964 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.071 5.106 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.761 4.934 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.673 4.777 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.121 5.792 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.030 6.520 2.468 1.00 0.00 H new ATOM 1054 N ASP A 66 -8.056 7.381 2.648 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.671 7.495 2.254 1.00 0.00 C ATOM 1056 C ASP A 66 -6.026 6.123 2.363 1.00 0.00 C ATOM 1057 O ASP A 66 -6.013 5.518 3.437 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.942 8.506 3.147 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.720 9.800 3.324 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.573 10.714 2.483 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -7.489 9.909 4.308 1.00 0.00 O ATOM 0 H ASP A 66 -8.191 7.113 3.623 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.606 7.852 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.762 8.058 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.967 8.729 2.715 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.518 5.619 1.255 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.959 4.276 1.223 1.00 0.00 C ATOM 1068 C ILE A 67 -3.552 4.275 1.792 1.00 0.00 C ATOM 1069 O ILE A 67 -2.649 4.906 1.241 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.951 3.691 -0.207 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.385 3.560 -0.731 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.243 2.342 -0.243 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.282 2.706 0.146 1.00 0.00 C ATOM 0 H ILE A 67 -5.480 6.116 0.365 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.597 3.643 1.839 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.401 4.375 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.821 4.555 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.358 3.132 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.252 1.953 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.212 2.463 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.758 1.643 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.280 2.660 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.870 1.699 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.341 3.144 1.142 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.375 3.576 2.898 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.099 3.561 3.584 1.00 0.00 C ATOM 1087 C ILE A 68 -1.481 2.170 3.590 1.00 0.00 C ATOM 1088 O ILE A 68 -2.143 1.181 3.895 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.224 4.070 5.037 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.301 3.290 5.793 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.529 5.557 5.054 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.427 3.694 7.245 1.00 0.00 C ATOM 0 H ILE A 68 -4.100 3.011 3.340 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.446 4.236 3.030 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.271 3.908 5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.261 3.437 5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.074 2.225 5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.614 5.899 6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.725 6.099 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.468 5.742 4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.208 3.102 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.479 3.521 7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.684 4.751 7.307 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.213 2.101 3.231 1.00 0.00 N ATOM 1105 CA CYS A 69 0.542 0.862 3.324 1.00 0.00 C ATOM 1106 C CYS A 69 1.014 0.674 4.760 1.00 0.00 C ATOM 1107 O CYS A 69 1.412 1.641 5.412 1.00 0.00 O ATOM 1108 CB CYS A 69 1.729 0.903 2.362 1.00 0.00 C ATOM 1109 SG CYS A 69 2.568 2.499 2.324 1.00 0.00 S ATOM 0 H CYS A 69 0.320 2.892 2.870 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.091 0.019 3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.445 0.132 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.382 0.660 1.358 1.00 0.00 H new ATOM 0 HG CYS A 69 3.260 2.600 1.228 1.00 0.00 H new ATOM 1115 N THR A 70 0.954 -0.545 5.270 1.00 0.00 N ATOM 1116 CA THR A 70 1.251 -0.765 6.675 1.00 0.00 C ATOM 1117 C THR A 70 2.328 -1.831 6.883 1.00 0.00 C ATOM 1118 O THR A 70 2.611 -2.219 8.018 1.00 0.00 O ATOM 1119 CB THR A 70 -0.030 -1.138 7.456 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.250 -1.238 8.858 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.615 -2.452 6.954 1.00 0.00 C ATOM 0 H THR A 70 0.707 -1.383 4.744 1.00 0.00 H new ATOM 0 HA THR A 70 1.644 0.174 7.064 1.00 0.00 H new ATOM 0 HB THR A 70 -0.762 -0.347 7.292 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.154 -1.593 8.986 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.515 -2.690 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.866 -2.358 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.117 -3.249 7.084 1.00 0.00 H new ATOM 1129 N LYS A 71 2.939 -2.299 5.806 1.00 0.00 N ATOM 1130 CA LYS A 71 4.074 -3.198 5.935 1.00 0.00 C ATOM 1131 C LYS A 71 5.363 -2.416 5.756 1.00 0.00 C ATOM 1132 O LYS A 71 5.500 -1.643 4.809 1.00 0.00 O ATOM 1133 CB LYS A 71 4.010 -4.345 4.923 1.00 0.00 C ATOM 1134 CG LYS A 71 5.166 -5.328 5.055 1.00 0.00 C ATOM 1135 CD LYS A 71 5.077 -6.453 4.040 1.00 0.00 C ATOM 1136 CE LYS A 71 6.261 -7.405 4.151 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.321 -8.080 5.475 1.00 0.00 N ATOM 0 H LYS A 71 2.673 -2.076 4.847 1.00 0.00 H new ATOM 0 HA LYS A 71 4.044 -3.639 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.070 -4.881 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.007 -3.931 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.109 -4.797 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.172 -5.747 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.150 -7.006 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.040 -6.034 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.194 -8.157 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.186 -6.852 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.034 -8.837 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.580 -7.387 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.391 -8.489 5.699 1.00 0.00 H new ATOM 1151 N ASN A 72 6.298 -2.609 6.671 1.00 0.00 N ATOM 1152 CA ASN A 72 7.560 -1.886 6.628 1.00 0.00 C ATOM 1153 C ASN A 72 8.457 -2.477 5.554 1.00 0.00 C ATOM 1154 O ASN A 72 8.973 -3.583 5.706 1.00 0.00 O ATOM 1155 CB ASN A 72 8.277 -1.925 7.985 1.00 0.00 C ATOM 1156 CG ASN A 72 7.559 -1.148 9.080 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.232 -1.164 9.068 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.197 -0.548 9.944 1.00 0.00 N flip ATOM 0 H ASN A 72 6.208 -3.259 7.452 1.00 0.00 H new ATOM 0 HA ASN A 72 7.343 -0.844 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.384 -2.963 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.283 -1.522 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.217 -0.557 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.706 -0.042 10.681 1.00 0.00 H new ATOM 1165 N LEU A 73 8.613 -1.751 4.458 1.00 0.00 N ATOM 1166 CA LEU A 73 9.467 -2.190 3.369 1.00 0.00 C ATOM 1167 C LEU A 73 10.921 -1.862 3.674 1.00 0.00 C ATOM 1168 O LEU A 73 11.305 -0.691 3.733 1.00 0.00 O ATOM 1169 CB LEU A 73 9.044 -1.534 2.053 1.00 0.00 C ATOM 1170 CG LEU A 73 7.641 -1.902 1.563 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.313 -1.156 0.279 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.530 -3.405 1.349 1.00 0.00 C ATOM 0 H LEU A 73 8.157 -0.852 4.300 1.00 0.00 H new ATOM 0 HA LEU A 73 9.363 -3.270 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.098 -0.452 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.764 -1.807 1.282 1.00 0.00 H new ATOM 0 HG LEU A 73 6.920 -1.608 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.312 -1.429 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.354 -0.082 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.038 -1.421 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.527 -3.650 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.260 -3.721 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.724 -3.922 2.289 1.00 0.00 H new ATOM 1184 N PRO A 74 11.746 -2.897 3.883 1.00 0.00 N ATOM 1185 CA PRO A 74 13.158 -2.721 4.204 1.00 0.00 C ATOM 1186 C PRO A 74 13.925 -2.060 3.067 1.00 0.00 C ATOM 1187 O PRO A 74 13.991 -2.585 1.949 1.00 0.00 O ATOM 1188 CB PRO A 74 13.665 -4.149 4.439 1.00 0.00 C ATOM 1189 CG PRO A 74 12.688 -5.025 3.737 1.00 0.00 C ATOM 1190 CD PRO A 74 11.367 -4.317 3.820 1.00 0.00 C ATOM 0 HA PRO A 74 13.299 -2.067 5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.671 -4.281 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.710 -4.382 5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.981 -5.184 2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.635 -6.007 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.742 -4.528 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.802 -4.622 4.701 1.00 0.00 H new