USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 679 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 170:sc=-0.00974 (180deg=-0.107) USER MOD Set 2.1: A 35 TYR OH : rot -58:sc= 1.32 USER MOD Set 2.2: A 59 THR OG1 : rot 62:sc= 0.58 USER MOD Set 2.3: A 63 GLN : amide:sc= 1.39 K(o=3.3,f=1.2) USER MOD Set 3.1: A 24 SER OG : rot 133:sc= 1.05 USER MOD Set 3.2: A 26 TYR OH : rot 180:sc= 0.519 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.262 (180deg=-0.935) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.038 (180deg=-0.315) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.0118 (180deg=-0.178) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.13 F(o=-1.5!,f=-0.13) USER MOD Single : A 13 TYR OH : rot -157:sc= 0.555 USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 36 ASN : amide:sc=-0.00248 K(o=-0.0025,f=-1.6) USER MOD Single : A 39 MET CE :methyl -159:sc= -0.159 (180deg=-0.783) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc=-0.00216 (180deg=-0.105) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0403 (180deg=-0.286) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0347) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -17:sc= -1.06! USER MOD Single : A 61 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0656 K(o=-0.066,f=-3.1!) USER MOD Single : A 69 TYR OH : rot -12:sc= -0.0167 USER MOD Single : A 70 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ 132:sc= -0.18 (180deg=-0.78) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 80 HIS :FLIP no HE2:sc= -0.737 F(o=-2.8!,f=-0.74) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.69 K(o=0.69,f=-6.1!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.462 18.672 -1.421 1.00 0.00 N ATOM 2 CA MET A 1 23.947 18.367 -2.790 1.00 0.00 C ATOM 3 C MET A 1 23.124 17.234 -3.386 1.00 0.00 C ATOM 4 O MET A 1 22.646 17.320 -4.515 1.00 0.00 O ATOM 5 CB MET A 1 25.427 17.974 -2.756 1.00 0.00 C ATOM 6 CG MET A 1 26.340 19.063 -2.219 1.00 0.00 C ATOM 7 SD MET A 1 28.054 18.526 -2.075 1.00 0.00 S ATOM 8 CE MET A 1 27.888 17.168 -0.916 1.00 0.00 C ATOM 0 H1 MET A 1 23.826 19.599 -1.122 1.00 0.00 H new ATOM 0 H2 MET A 1 22.422 18.691 -1.417 1.00 0.00 H new ATOM 0 H3 MET A 1 23.797 17.940 -0.763 1.00 0.00 H new ATOM 0 HA MET A 1 23.837 19.257 -3.409 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.542 17.081 -2.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.746 17.710 -3.764 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.290 19.931 -2.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.981 19.383 -1.241 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.841 16.998 -0.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.128 17.413 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.594 16.266 -1.452 1.00 0.00 H new ATOM 20 N ASP A 2 22.967 16.167 -2.617 1.00 0.00 N ATOM 21 CA ASP A 2 22.104 15.061 -3.003 1.00 0.00 C ATOM 22 C ASP A 2 20.668 15.365 -2.626 1.00 0.00 C ATOM 23 O ASP A 2 20.413 16.215 -1.771 1.00 0.00 O ATOM 24 CB ASP A 2 22.539 13.766 -2.316 1.00 0.00 C ATOM 25 CG ASP A 2 23.408 12.896 -3.195 1.00 0.00 C ATOM 26 OD1 ASP A 2 24.587 13.248 -3.403 1.00 0.00 O ATOM 27 OD2 ASP A 2 22.916 11.853 -3.673 1.00 0.00 O ATOM 0 H ASP A 2 23.429 16.044 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 2 22.182 14.933 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 2 23.083 14.010 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 2 21.654 13.204 -2.019 1.00 0.00 H new ATOM 32 N PHE A 3 19.735 14.674 -3.257 1.00 0.00 N ATOM 33 CA PHE A 3 18.333 14.790 -2.890 1.00 0.00 C ATOM 34 C PHE A 3 18.036 13.823 -1.755 1.00 0.00 C ATOM 35 O PHE A 3 16.995 13.900 -1.097 1.00 0.00 O ATOM 36 CB PHE A 3 17.431 14.490 -4.091 1.00 0.00 C ATOM 37 CG PHE A 3 17.639 15.421 -5.252 1.00 0.00 C ATOM 38 CD1 PHE A 3 17.033 16.668 -5.274 1.00 0.00 C ATOM 39 CD2 PHE A 3 18.438 15.051 -6.322 1.00 0.00 C ATOM 40 CE1 PHE A 3 17.222 17.528 -6.339 1.00 0.00 C ATOM 41 CE2 PHE A 3 18.630 15.906 -7.390 1.00 0.00 C ATOM 42 CZ PHE A 3 18.020 17.146 -7.400 1.00 0.00 C ATOM 0 H PHE A 3 19.921 14.028 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 3 18.131 15.811 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.610 13.467 -4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 3 16.389 14.546 -3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 3 16.406 16.971 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.916 14.083 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 3 16.746 18.498 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.257 15.605 -8.217 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.167 17.815 -8.235 1.00 0.00 H new ATOM 52 N GLY A 4 18.985 12.929 -1.521 1.00 0.00 N ATOM 53 CA GLY A 4 18.818 11.895 -0.530 1.00 0.00 C ATOM 54 C GLY A 4 18.415 10.593 -1.178 1.00 0.00 C ATOM 55 O GLY A 4 18.729 10.355 -2.346 1.00 0.00 O ATOM 0 H GLY A 4 19.880 12.905 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.748 11.760 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.060 12.197 0.193 1.00 0.00 H new ATOM 59 N LYS A 5 17.739 9.749 -0.429 1.00 0.00 N ATOM 60 CA LYS A 5 17.187 8.524 -0.973 1.00 0.00 C ATOM 61 C LYS A 5 15.686 8.501 -0.750 1.00 0.00 C ATOM 62 O LYS A 5 15.208 8.851 0.334 1.00 0.00 O ATOM 63 CB LYS A 5 17.844 7.296 -0.339 1.00 0.00 C ATOM 64 CG LYS A 5 19.297 7.108 -0.747 1.00 0.00 C ATOM 65 CD LYS A 5 19.897 5.856 -0.130 1.00 0.00 C ATOM 66 CE LYS A 5 20.017 5.975 1.382 1.00 0.00 C ATOM 67 NZ LYS A 5 20.994 7.022 1.779 1.00 0.00 N ATOM 0 H LYS A 5 17.557 9.889 0.565 1.00 0.00 H new ATOM 0 HA LYS A 5 17.391 8.493 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.788 7.383 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.279 6.407 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.365 7.047 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.877 7.979 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 5 19.277 4.995 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.882 5.675 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.041 6.210 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.324 5.016 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.226 6.916 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.860 6.921 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.581 7.962 1.616 1.00 0.00 H new ATOM 81 N PRO A 6 14.917 8.124 -1.778 1.00 0.00 N ATOM 82 CA PRO A 6 13.463 8.058 -1.693 1.00 0.00 C ATOM 83 C PRO A 6 12.992 6.873 -0.858 1.00 0.00 C ATOM 84 O PRO A 6 12.596 5.837 -1.395 1.00 0.00 O ATOM 85 CB PRO A 6 13.005 7.905 -3.152 1.00 0.00 C ATOM 86 CG PRO A 6 14.229 8.106 -3.985 1.00 0.00 C ATOM 87 CD PRO A 6 15.395 7.746 -3.111 1.00 0.00 C ATOM 0 HA PRO A 6 13.049 8.940 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.572 6.920 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.238 8.639 -3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 6 14.201 7.478 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.302 9.139 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.635 6.684 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.296 8.293 -3.390 1.00 0.00 H new ATOM 95 N ASN A 7 13.068 7.016 0.458 1.00 0.00 N ATOM 96 CA ASN A 7 12.571 5.991 1.363 1.00 0.00 C ATOM 97 C ASN A 7 11.060 6.114 1.471 1.00 0.00 C ATOM 98 O ASN A 7 10.525 6.549 2.489 1.00 0.00 O ATOM 99 CB ASN A 7 13.212 6.103 2.754 1.00 0.00 C ATOM 100 CG ASN A 7 14.727 6.175 2.708 1.00 0.00 C ATOM 101 OD1 ASN A 7 15.407 5.166 2.537 1.00 0.00 O ATOM 102 ND2 ASN A 7 15.270 7.369 2.898 1.00 0.00 N ATOM 0 H ASN A 7 13.469 7.831 0.922 1.00 0.00 H new ATOM 0 HA ASN A 7 12.839 5.014 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.827 6.992 3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.913 5.244 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 7 16.285 7.472 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 7 14.673 8.184 3.037 1.00 0.00 H new ATOM 109 N GLN A 8 10.384 5.770 0.388 1.00 0.00 N ATOM 110 CA GLN A 8 8.943 5.905 0.312 1.00 0.00 C ATOM 111 C GLN A 8 8.265 4.562 0.518 1.00 0.00 C ATOM 112 O GLN A 8 8.816 3.510 0.184 1.00 0.00 O ATOM 113 CB GLN A 8 8.536 6.497 -1.042 1.00 0.00 C ATOM 114 CG GLN A 8 8.916 5.629 -2.234 1.00 0.00 C ATOM 115 CD GLN A 8 8.584 6.283 -3.561 1.00 0.00 C ATOM 116 OE1 GLN A 8 8.610 7.506 -3.688 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.268 5.473 -4.561 1.00 0.00 N ATOM 0 H GLN A 8 10.816 5.393 -0.456 1.00 0.00 H new ATOM 0 HA GLN A 8 8.621 6.580 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.458 6.655 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.002 7.476 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.984 5.414 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.396 4.674 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.258 4.463 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.035 5.859 -5.476 1.00 0.00 H new ATOM 126 N VAL A 9 7.077 4.603 1.084 1.00 0.00 N ATOM 127 CA VAL A 9 6.279 3.413 1.268 1.00 0.00 C ATOM 128 C VAL A 9 5.263 3.311 0.138 1.00 0.00 C ATOM 129 O VAL A 9 4.393 4.168 -0.008 1.00 0.00 O ATOM 130 CB VAL A 9 5.543 3.433 2.623 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.889 2.094 2.900 1.00 0.00 C ATOM 132 CG2 VAL A 9 6.496 3.806 3.749 1.00 0.00 C ATOM 0 H VAL A 9 6.641 5.459 1.427 1.00 0.00 H new ATOM 0 HA VAL A 9 6.943 2.549 1.258 1.00 0.00 H new ATOM 0 HB VAL A 9 4.761 4.191 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.376 2.132 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.169 1.871 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.651 1.315 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.955 3.814 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.304 3.076 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.912 4.796 3.561 1.00 0.00 H new ATOM 142 N THR A 10 5.380 2.275 -0.668 1.00 0.00 N ATOM 143 CA THR A 10 4.500 2.105 -1.807 1.00 0.00 C ATOM 144 C THR A 10 3.260 1.325 -1.399 1.00 0.00 C ATOM 145 O THR A 10 3.324 0.120 -1.154 1.00 0.00 O ATOM 146 CB THR A 10 5.217 1.370 -2.959 1.00 0.00 C ATOM 147 OG1 THR A 10 6.484 1.993 -3.213 1.00 0.00 O ATOM 148 CG2 THR A 10 4.375 1.390 -4.226 1.00 0.00 C ATOM 0 H THR A 10 6.076 1.538 -0.556 1.00 0.00 H new ATOM 0 HA THR A 10 4.209 3.096 -2.157 1.00 0.00 H new ATOM 0 HB THR A 10 5.369 0.332 -2.663 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.939 1.524 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.903 0.865 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.421 0.897 -4.037 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.196 2.422 -4.528 1.00 0.00 H new ATOM 156 N VAL A 11 2.145 2.027 -1.286 1.00 0.00 N ATOM 157 CA VAL A 11 0.885 1.407 -0.919 1.00 0.00 C ATOM 158 C VAL A 11 0.172 0.902 -2.167 1.00 0.00 C ATOM 159 O VAL A 11 -0.329 1.689 -2.976 1.00 0.00 O ATOM 160 CB VAL A 11 -0.027 2.387 -0.154 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.333 1.719 0.241 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.686 2.937 1.074 1.00 0.00 C ATOM 0 H VAL A 11 2.088 3.033 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 11 1.105 0.568 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.260 3.219 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.958 2.432 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.855 1.383 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.124 0.863 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.026 3.626 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.955 2.115 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.589 3.464 0.765 1.00 0.00 H new ATOM 172 N ASN A 12 0.156 -0.409 -2.331 1.00 0.00 N ATOM 173 CA ASN A 12 -0.460 -1.027 -3.491 1.00 0.00 C ATOM 174 C ASN A 12 -1.802 -1.635 -3.126 1.00 0.00 C ATOM 175 O ASN A 12 -1.876 -2.557 -2.317 1.00 0.00 O ATOM 176 CB ASN A 12 0.457 -2.102 -4.080 1.00 0.00 C ATOM 177 CG ASN A 12 1.600 -1.522 -4.893 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.344 -0.422 -5.586 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 2.703 -2.068 -4.911 1.00 0.00 N flip ATOM 0 H ASN A 12 0.566 -1.070 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.619 -0.252 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.864 -2.708 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.131 -2.767 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.862 -2.914 -4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.458 -1.674 -5.473 1.00 0.00 H new ATOM 186 N TYR A 13 -2.860 -1.095 -3.710 1.00 0.00 N ATOM 187 CA TYR A 13 -4.197 -1.629 -3.514 1.00 0.00 C ATOM 188 C TYR A 13 -4.462 -2.707 -4.560 1.00 0.00 C ATOM 189 O TYR A 13 -4.716 -2.400 -5.728 1.00 0.00 O ATOM 190 CB TYR A 13 -5.241 -0.511 -3.627 1.00 0.00 C ATOM 191 CG TYR A 13 -5.022 0.646 -2.670 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.206 1.720 -3.015 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.642 0.672 -1.427 1.00 0.00 C ATOM 194 CE1 TYR A 13 -4.015 2.780 -2.147 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.459 1.731 -0.558 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.645 2.781 -0.921 1.00 0.00 C ATOM 197 OH TYR A 13 -4.468 3.839 -0.059 1.00 0.00 O ATOM 0 H TYR A 13 -2.817 -0.283 -4.326 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.270 -2.063 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.238 -0.129 -4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.230 -0.933 -3.448 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.714 1.726 -3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.278 -0.150 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.375 3.603 -2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.953 1.735 0.403 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.659 3.550 0.858 1.00 0.00 H new ATOM 207 N LEU A 14 -4.380 -3.964 -4.146 1.00 0.00 N ATOM 208 CA LEU A 14 -4.428 -5.078 -5.084 1.00 0.00 C ATOM 209 C LEU A 14 -5.701 -5.897 -4.938 1.00 0.00 C ATOM 210 O LEU A 14 -6.422 -5.783 -3.947 1.00 0.00 O ATOM 211 CB LEU A 14 -3.216 -5.990 -4.878 1.00 0.00 C ATOM 212 CG LEU A 14 -1.856 -5.314 -5.043 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.737 -6.323 -4.846 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.752 -4.657 -6.409 1.00 0.00 C ATOM 0 H LEU A 14 -4.280 -4.238 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.414 -4.653 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.271 -6.420 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.280 -6.818 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.758 -4.539 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.226 -5.827 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.803 -6.749 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.830 -7.119 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.777 -4.180 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.869 -5.413 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.536 -3.906 -6.512 1.00 0.00 H new ATOM 226 N ASP A 15 -5.957 -6.724 -5.941 1.00 0.00 N ATOM 227 CA ASP A 15 -7.080 -7.655 -5.932 1.00 0.00 C ATOM 228 C ASP A 15 -6.646 -8.988 -5.322 1.00 0.00 C ATOM 229 O ASP A 15 -7.270 -9.493 -4.394 1.00 0.00 O ATOM 230 CB ASP A 15 -7.594 -7.868 -7.370 1.00 0.00 C ATOM 231 CG ASP A 15 -6.565 -8.526 -8.284 1.00 0.00 C ATOM 232 OD1 ASP A 15 -5.362 -8.190 -8.179 1.00 0.00 O ATOM 233 OD2 ASP A 15 -6.942 -9.396 -9.092 1.00 0.00 O ATOM 0 H ASP A 15 -5.391 -6.770 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.886 -7.239 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.492 -8.485 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.883 -6.905 -7.792 1.00 0.00 H new ATOM 238 N GLU A 16 -5.557 -9.522 -5.864 1.00 0.00 N ATOM 239 CA GLU A 16 -4.957 -10.784 -5.442 1.00 0.00 C ATOM 240 C GLU A 16 -3.938 -11.201 -6.493 1.00 0.00 C ATOM 241 O GLU A 16 -2.867 -11.715 -6.182 1.00 0.00 O ATOM 242 CB GLU A 16 -6.003 -11.894 -5.278 1.00 0.00 C ATOM 243 CG GLU A 16 -5.412 -13.216 -4.817 1.00 0.00 C ATOM 244 CD GLU A 16 -6.463 -14.279 -4.591 1.00 0.00 C ATOM 245 OE1 GLU A 16 -7.121 -14.688 -5.569 1.00 0.00 O ATOM 246 OE2 GLU A 16 -6.633 -14.716 -3.435 1.00 0.00 O ATOM 0 H GLU A 16 -5.053 -9.077 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.486 -10.636 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.756 -11.571 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.514 -12.045 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.698 -13.569 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.857 -13.058 -3.893 1.00 0.00 H new ATOM 253 N ASN A 17 -4.280 -10.938 -7.751 1.00 0.00 N ATOM 254 CA ASN A 17 -3.404 -11.248 -8.874 1.00 0.00 C ATOM 255 C ASN A 17 -2.507 -10.062 -9.196 1.00 0.00 C ATOM 256 O ASN A 17 -1.960 -9.968 -10.294 1.00 0.00 O ATOM 257 CB ASN A 17 -4.218 -11.628 -10.117 1.00 0.00 C ATOM 258 CG ASN A 17 -4.764 -13.046 -10.071 1.00 0.00 C ATOM 259 OD1 ASN A 17 -5.083 -13.535 -8.884 1.00 0.00 O flip ATOM 260 ND2 ASN A 17 -4.904 -13.698 -11.107 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.165 -10.507 -8.018 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.785 -12.098 -8.587 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.048 -10.930 -10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.590 -11.517 -11.001 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.648 -13.289 -12.006 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.276 -14.647 -11.066 1.00 0.00 H new ATOM 267 N ASN A 18 -2.358 -9.165 -8.221 1.00 0.00 N ATOM 268 CA ASN A 18 -1.504 -7.984 -8.359 1.00 0.00 C ATOM 269 C ASN A 18 -2.064 -7.025 -9.402 1.00 0.00 C ATOM 270 O ASN A 18 -1.322 -6.413 -10.175 1.00 0.00 O ATOM 271 CB ASN A 18 -0.064 -8.384 -8.705 1.00 0.00 C ATOM 272 CG ASN A 18 0.667 -8.985 -7.520 1.00 0.00 C ATOM 273 OD1 ASN A 18 1.342 -8.281 -6.771 1.00 0.00 O ATOM 274 ND2 ASN A 18 0.542 -10.289 -7.341 1.00 0.00 N ATOM 0 H ASN A 18 -2.824 -9.236 -7.316 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.490 -7.468 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.076 -9.103 -9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.479 -7.507 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.015 -10.744 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.027 -10.840 -7.984 1.00 0.00 H new ATOM 281 N THR A 19 -3.381 -6.903 -9.416 1.00 0.00 N ATOM 282 CA THR A 19 -4.054 -5.930 -10.251 1.00 0.00 C ATOM 283 C THR A 19 -4.368 -4.687 -9.429 1.00 0.00 C ATOM 284 O THR A 19 -5.110 -4.756 -8.448 1.00 0.00 O ATOM 285 CB THR A 19 -5.358 -6.510 -10.832 1.00 0.00 C ATOM 286 OG1 THR A 19 -5.094 -7.782 -11.443 1.00 0.00 O ATOM 287 CG2 THR A 19 -5.972 -5.567 -11.858 1.00 0.00 C ATOM 0 H THR A 19 -4.009 -7.474 -8.850 1.00 0.00 H new ATOM 0 HA THR A 19 -3.395 -5.670 -11.080 1.00 0.00 H new ATOM 0 HB THR A 19 -6.068 -6.634 -10.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.926 -8.148 -11.809 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.891 -6.004 -12.250 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.198 -4.611 -11.385 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.268 -5.410 -12.675 1.00 0.00 H new ATOM 295 N SER A 20 -3.776 -3.564 -9.808 1.00 0.00 N ATOM 296 CA SER A 20 -3.989 -2.314 -9.102 1.00 0.00 C ATOM 297 C SER A 20 -5.424 -1.826 -9.290 1.00 0.00 C ATOM 298 O SER A 20 -5.768 -1.251 -10.326 1.00 0.00 O ATOM 299 CB SER A 20 -3.002 -1.255 -9.596 1.00 0.00 C ATOM 300 OG SER A 20 -1.667 -1.739 -9.555 1.00 0.00 O ATOM 0 H SER A 20 -3.142 -3.495 -10.604 1.00 0.00 H new ATOM 0 HA SER A 20 -3.821 -2.486 -8.039 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.256 -0.965 -10.616 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.086 -0.360 -8.980 1.00 0.00 H new ATOM 0 HG SER A 20 -1.057 -1.043 -9.877 1.00 0.00 H new ATOM 306 N ILE A 21 -6.267 -2.081 -8.297 1.00 0.00 N ATOM 307 CA ILE A 21 -7.644 -1.612 -8.330 1.00 0.00 C ATOM 308 C ILE A 21 -7.695 -0.126 -8.009 1.00 0.00 C ATOM 309 O ILE A 21 -8.647 0.572 -8.358 1.00 0.00 O ATOM 310 CB ILE A 21 -8.546 -2.392 -7.348 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.998 -2.306 -5.919 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.669 -3.844 -7.789 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.861 -3.008 -4.891 1.00 0.00 C ATOM 0 H ILE A 21 -6.020 -2.610 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.025 -1.785 -9.337 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.538 -1.940 -7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.998 -2.739 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.898 -1.257 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.307 -4.384 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.107 -3.886 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.681 -4.304 -7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.409 -2.904 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.855 -2.561 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.941 -4.065 -5.144 1.00 0.00 H new ATOM 325 N ALA A 22 -6.647 0.347 -7.354 1.00 0.00 N ATOM 326 CA ALA A 22 -6.485 1.756 -7.056 1.00 0.00 C ATOM 327 C ALA A 22 -5.051 2.169 -7.358 1.00 0.00 C ATOM 328 O ALA A 22 -4.142 1.336 -7.294 1.00 0.00 O ATOM 329 CB ALA A 22 -6.840 2.038 -5.602 1.00 0.00 C ATOM 0 H ALA A 22 -5.884 -0.239 -7.014 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.161 2.340 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.713 3.101 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.876 1.755 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.185 1.461 -4.949 1.00 0.00 H new ATOM 335 N PRO A 23 -4.828 3.445 -7.714 1.00 0.00 N ATOM 336 CA PRO A 23 -3.492 3.957 -8.037 1.00 0.00 C ATOM 337 C PRO A 23 -2.502 3.775 -6.887 1.00 0.00 C ATOM 338 O PRO A 23 -2.887 3.774 -5.715 1.00 0.00 O ATOM 339 CB PRO A 23 -3.724 5.450 -8.315 1.00 0.00 C ATOM 340 CG PRO A 23 -5.059 5.756 -7.728 1.00 0.00 C ATOM 341 CD PRO A 23 -5.856 4.490 -7.835 1.00 0.00 C ATOM 0 HA PRO A 23 -3.052 3.422 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.945 6.061 -7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.708 5.658 -9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.966 6.072 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.545 6.570 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.604 4.415 -7.045 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.388 4.426 -8.784 1.00 0.00 H new ATOM 349 N SER A 24 -1.231 3.613 -7.232 1.00 0.00 N ATOM 350 CA SER A 24 -0.186 3.413 -6.242 1.00 0.00 C ATOM 351 C SER A 24 0.007 4.662 -5.388 1.00 0.00 C ATOM 352 O SER A 24 0.405 5.718 -5.886 1.00 0.00 O ATOM 353 CB SER A 24 1.119 3.037 -6.944 1.00 0.00 C ATOM 354 OG SER A 24 1.342 3.860 -8.080 1.00 0.00 O ATOM 0 H SER A 24 -0.900 3.617 -8.197 1.00 0.00 H new ATOM 0 HA SER A 24 -0.484 2.601 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.952 3.138 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.083 1.991 -7.250 1.00 0.00 H new ATOM 0 HG SER A 24 2.268 4.180 -8.075 1.00 0.00 H new ATOM 360 N LEU A 25 -0.285 4.540 -4.105 1.00 0.00 N ATOM 361 CA LEU A 25 -0.134 5.649 -3.182 1.00 0.00 C ATOM 362 C LEU A 25 1.273 5.657 -2.603 1.00 0.00 C ATOM 363 O LEU A 25 1.670 4.728 -1.897 1.00 0.00 O ATOM 364 CB LEU A 25 -1.179 5.557 -2.068 1.00 0.00 C ATOM 365 CG LEU A 25 -1.090 6.641 -0.991 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.299 8.022 -1.594 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.106 6.376 0.108 1.00 0.00 C ATOM 0 H LEU A 25 -0.629 3.680 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.291 6.583 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.170 5.598 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.088 4.583 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.091 6.612 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.231 8.776 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.532 8.211 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.283 8.071 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.032 7.154 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.110 6.378 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.906 5.406 0.562 1.00 0.00 H new ATOM 379 N TYR A 26 2.032 6.690 -2.923 1.00 0.00 N ATOM 380 CA TYR A 26 3.408 6.786 -2.469 1.00 0.00 C ATOM 381 C TYR A 26 3.483 7.533 -1.146 1.00 0.00 C ATOM 382 O TYR A 26 3.492 8.764 -1.105 1.00 0.00 O ATOM 383 CB TYR A 26 4.279 7.466 -3.526 1.00 0.00 C ATOM 384 CG TYR A 26 4.232 6.766 -4.865 1.00 0.00 C ATOM 385 CD1 TYR A 26 4.706 5.468 -5.005 1.00 0.00 C ATOM 386 CD2 TYR A 26 3.697 7.394 -5.981 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.652 4.817 -6.221 1.00 0.00 C ATOM 388 CE2 TYR A 26 3.636 6.748 -7.201 1.00 0.00 C ATOM 389 CZ TYR A 26 4.116 5.461 -7.315 1.00 0.00 C ATOM 390 OH TYR A 26 4.051 4.812 -8.525 1.00 0.00 O ATOM 0 H TYR A 26 1.719 7.474 -3.495 1.00 0.00 H new ATOM 0 HA TYR A 26 3.789 5.777 -2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.952 8.498 -3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.310 7.498 -3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.124 4.960 -4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.323 8.403 -5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.028 3.809 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.215 7.249 -8.060 1.00 0.00 H new ATOM 0 HH TYR A 26 3.645 5.404 -9.192 1.00 0.00 H new ATOM 400 N LEU A 27 3.510 6.771 -0.069 1.00 0.00 N ATOM 401 CA LEU A 27 3.577 7.323 1.269 1.00 0.00 C ATOM 402 C LEU A 27 5.023 7.633 1.628 1.00 0.00 C ATOM 403 O LEU A 27 5.779 6.750 2.024 1.00 0.00 O ATOM 404 CB LEU A 27 2.968 6.326 2.261 1.00 0.00 C ATOM 405 CG LEU A 27 3.003 6.731 3.736 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.224 8.014 3.967 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.444 5.611 4.596 1.00 0.00 C ATOM 0 H LEU A 27 3.486 5.752 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 27 3.009 8.252 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.930 6.153 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.490 5.375 2.155 1.00 0.00 H new ATOM 0 HG LEU A 27 4.040 6.912 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.265 8.279 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.662 8.817 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.186 7.868 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.473 5.908 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.413 5.408 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.044 4.712 4.457 1.00 0.00 H new ATOM 419 N SER A 28 5.415 8.881 1.446 1.00 0.00 N ATOM 420 CA SER A 28 6.777 9.295 1.727 1.00 0.00 C ATOM 421 C SER A 28 6.789 10.362 2.814 1.00 0.00 C ATOM 422 O SER A 28 5.875 11.186 2.897 1.00 0.00 O ATOM 423 CB SER A 28 7.442 9.823 0.450 1.00 0.00 C ATOM 424 OG SER A 28 8.824 10.068 0.651 1.00 0.00 O ATOM 0 H SER A 28 4.808 9.626 1.104 1.00 0.00 H new ATOM 0 HA SER A 28 7.341 8.433 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.312 9.100 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.950 10.743 0.135 1.00 0.00 H new ATOM 0 HG SER A 28 9.221 10.402 -0.180 1.00 0.00 H new ATOM 430 N GLY A 29 7.819 10.336 3.645 1.00 0.00 N ATOM 431 CA GLY A 29 7.936 11.300 4.717 1.00 0.00 C ATOM 432 C GLY A 29 9.376 11.509 5.127 1.00 0.00 C ATOM 433 O GLY A 29 10.257 11.616 4.274 1.00 0.00 O ATOM 0 H GLY A 29 8.581 9.659 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.506 12.250 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.359 10.960 5.577 1.00 0.00 H new ATOM 437 N LEU A 30 9.621 11.551 6.426 1.00 0.00 N ATOM 438 CA LEU A 30 10.969 11.741 6.937 1.00 0.00 C ATOM 439 C LEU A 30 11.587 10.401 7.305 1.00 0.00 C ATOM 440 O LEU A 30 10.878 9.424 7.531 1.00 0.00 O ATOM 441 CB LEU A 30 10.960 12.666 8.157 1.00 0.00 C ATOM 442 CG LEU A 30 10.483 14.095 7.890 1.00 0.00 C ATOM 443 CD1 LEU A 30 10.462 14.899 9.181 1.00 0.00 C ATOM 444 CD2 LEU A 30 11.369 14.770 6.854 1.00 0.00 C ATOM 0 H LEU A 30 8.905 11.456 7.146 1.00 0.00 H new ATOM 0 HA LEU A 30 11.569 12.205 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.322 12.225 8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.969 12.708 8.568 1.00 0.00 H new ATOM 0 HG LEU A 30 9.468 14.051 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.120 15.913 8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.785 14.427 9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.466 14.934 9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.014 15.785 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.396 14.803 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.333 14.206 5.922 1.00 0.00 H new ATOM 456 N PHE A 31 12.908 10.354 7.358 1.00 0.00 N ATOM 457 CA PHE A 31 13.606 9.133 7.727 1.00 0.00 C ATOM 458 C PHE A 31 13.396 8.838 9.210 1.00 0.00 C ATOM 459 O PHE A 31 13.457 9.746 10.042 1.00 0.00 O ATOM 460 CB PHE A 31 15.099 9.255 7.410 1.00 0.00 C ATOM 461 CG PHE A 31 15.877 8.005 7.701 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.777 6.903 6.867 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.703 7.928 8.811 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.484 5.749 7.135 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.412 6.775 9.085 1.00 0.00 C ATOM 466 CZ PHE A 31 17.304 5.685 8.245 1.00 0.00 C ATOM 0 H PHE A 31 13.518 11.145 7.151 1.00 0.00 H new ATOM 0 HA PHE A 31 13.199 8.306 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.219 9.511 6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.519 10.078 7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.138 6.948 5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.793 8.779 9.469 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.397 4.897 6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 31 18.050 6.726 9.955 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.860 4.783 8.455 1.00 0.00 H new ATOM 476 N ASN A 32 13.125 7.567 9.521 1.00 0.00 N ATOM 477 CA ASN A 32 12.891 7.117 10.898 1.00 0.00 C ATOM 478 C ASN A 32 11.603 7.731 11.456 1.00 0.00 C ATOM 479 O ASN A 32 11.384 7.771 12.667 1.00 0.00 O ATOM 480 CB ASN A 32 14.091 7.463 11.797 1.00 0.00 C ATOM 481 CG ASN A 32 14.033 6.769 13.149 1.00 0.00 C ATOM 482 OD1 ASN A 32 13.515 5.658 13.269 1.00 0.00 O ATOM 483 ND2 ASN A 32 14.561 7.417 14.175 1.00 0.00 N ATOM 0 H ASN A 32 13.062 6.822 8.827 1.00 0.00 H new ATOM 0 HA ASN A 32 12.776 6.033 10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.013 7.182 11.289 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.127 8.542 11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.548 6.997 15.105 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.981 8.336 14.036 1.00 0.00 H new ATOM 490 N GLU A 33 10.740 8.190 10.562 1.00 0.00 N ATOM 491 CA GLU A 33 9.470 8.776 10.959 1.00 0.00 C ATOM 492 C GLU A 33 8.391 7.702 10.967 1.00 0.00 C ATOM 493 O GLU A 33 8.359 6.847 10.081 1.00 0.00 O ATOM 494 CB GLU A 33 9.091 9.914 10.001 1.00 0.00 C ATOM 495 CG GLU A 33 7.732 10.541 10.278 1.00 0.00 C ATOM 496 CD GLU A 33 7.381 11.641 9.293 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.238 11.350 8.085 1.00 0.00 O ATOM 498 OE2 GLU A 33 7.218 12.801 9.722 1.00 0.00 O ATOM 0 H GLU A 33 10.897 8.167 9.554 1.00 0.00 H new ATOM 0 HA GLU A 33 9.562 9.189 11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.854 10.690 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.100 9.532 8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.965 9.767 10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.724 10.948 11.289 1.00 0.00 H new ATOM 505 N ALA A 34 7.531 7.725 11.973 1.00 0.00 N ATOM 506 CA ALA A 34 6.425 6.786 12.035 1.00 0.00 C ATOM 507 C ALA A 34 5.303 7.257 11.125 1.00 0.00 C ATOM 508 O ALA A 34 4.989 8.449 11.077 1.00 0.00 O ATOM 509 CB ALA A 34 5.933 6.620 13.464 1.00 0.00 C ATOM 0 H ALA A 34 7.578 8.380 12.753 1.00 0.00 H new ATOM 0 HA ALA A 34 6.771 5.811 11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.105 5.912 13.484 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.745 6.246 14.087 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.596 7.583 13.847 1.00 0.00 H new ATOM 515 N TYR A 35 4.716 6.331 10.392 1.00 0.00 N ATOM 516 CA TYR A 35 3.703 6.672 9.407 1.00 0.00 C ATOM 517 C TYR A 35 2.427 5.879 9.641 1.00 0.00 C ATOM 518 O TYR A 35 2.453 4.797 10.231 1.00 0.00 O ATOM 519 CB TYR A 35 4.230 6.406 7.991 1.00 0.00 C ATOM 520 CG TYR A 35 4.648 4.970 7.762 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.929 4.542 8.079 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.757 4.040 7.245 1.00 0.00 C ATOM 523 CE1 TYR A 35 6.309 3.230 7.887 1.00 0.00 C ATOM 524 CE2 TYR A 35 4.126 2.725 7.055 1.00 0.00 C ATOM 525 CZ TYR A 35 5.406 2.326 7.376 1.00 0.00 C ATOM 526 OH TYR A 35 5.777 1.013 7.208 1.00 0.00 O ATOM 0 H TYR A 35 4.922 5.334 10.459 1.00 0.00 H new ATOM 0 HA TYR A 35 3.473 7.732 9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.458 6.671 7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.082 7.059 7.800 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.640 5.247 8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.756 4.352 6.987 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.311 2.914 8.137 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.418 2.013 6.658 1.00 0.00 H new ATOM 0 HH TYR A 35 6.554 0.966 6.612 1.00 0.00 H new ATOM 536 N ASN A 36 1.315 6.423 9.177 1.00 0.00 N ATOM 537 CA ASN A 36 0.039 5.734 9.247 1.00 0.00 C ATOM 538 C ASN A 36 -0.420 5.379 7.839 1.00 0.00 C ATOM 539 O ASN A 36 -0.221 6.155 6.904 1.00 0.00 O ATOM 540 CB ASN A 36 -1.007 6.601 9.954 1.00 0.00 C ATOM 541 CG ASN A 36 -2.327 5.877 10.147 1.00 0.00 C ATOM 542 OD1 ASN A 36 -2.368 4.652 10.244 1.00 0.00 O ATOM 543 ND2 ASN A 36 -3.412 6.632 10.223 1.00 0.00 N ATOM 0 H ASN A 36 1.271 7.346 8.745 1.00 0.00 H new ATOM 0 HA ASN A 36 0.159 4.819 9.826 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.621 6.911 10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.175 7.508 9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.325 6.200 10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.335 7.645 10.138 1.00 0.00 H new ATOM 550 N VAL A 37 -1.015 4.208 7.686 1.00 0.00 N ATOM 551 CA VAL A 37 -1.396 3.718 6.371 1.00 0.00 C ATOM 552 C VAL A 37 -2.885 3.931 6.124 1.00 0.00 C ATOM 553 O VAL A 37 -3.726 3.357 6.819 1.00 0.00 O ATOM 554 CB VAL A 37 -1.052 2.222 6.207 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.421 1.729 4.815 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.425 1.986 6.484 1.00 0.00 C ATOM 0 H VAL A 37 -1.245 3.579 8.455 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.827 4.287 5.636 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.637 1.655 6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.169 0.672 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.491 1.862 4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.868 2.299 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.653 0.927 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.024 2.567 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.658 2.295 7.503 1.00 0.00 H new ATOM 566 N PRO A 38 -3.226 4.777 5.139 1.00 0.00 N ATOM 567 CA PRO A 38 -4.613 5.047 4.764 1.00 0.00 C ATOM 568 C PRO A 38 -5.232 3.885 3.993 1.00 0.00 C ATOM 569 O PRO A 38 -4.879 3.628 2.836 1.00 0.00 O ATOM 570 CB PRO A 38 -4.524 6.294 3.870 1.00 0.00 C ATOM 571 CG PRO A 38 -3.103 6.754 3.946 1.00 0.00 C ATOM 572 CD PRO A 38 -2.290 5.549 4.317 1.00 0.00 C ATOM 0 HA PRO A 38 -5.247 5.189 5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.804 6.059 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.205 7.072 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.776 7.165 2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.989 7.544 4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.966 4.991 3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.391 5.820 4.871 1.00 0.00 H new ATOM 580 N MET A 39 -6.139 3.172 4.642 1.00 0.00 N ATOM 581 CA MET A 39 -6.814 2.048 4.017 1.00 0.00 C ATOM 582 C MET A 39 -8.099 2.516 3.348 1.00 0.00 C ATOM 583 O MET A 39 -8.858 3.302 3.915 1.00 0.00 O ATOM 584 CB MET A 39 -7.122 0.966 5.055 1.00 0.00 C ATOM 585 CG MET A 39 -7.684 -0.313 4.455 1.00 0.00 C ATOM 586 SD MET A 39 -8.052 -1.566 5.700 1.00 0.00 S ATOM 587 CE MET A 39 -6.446 -1.762 6.472 1.00 0.00 C ATOM 0 H MET A 39 -6.425 3.353 5.604 1.00 0.00 H new ATOM 0 HA MET A 39 -6.156 1.624 3.259 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.210 0.730 5.603 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.835 1.361 5.779 1.00 0.00 H new ATOM 0 HG2 MET A 39 -8.593 -0.080 3.901 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.969 -0.718 3.739 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.402 -2.725 6.981 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.668 -1.719 5.710 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.290 -0.962 7.195 1.00 0.00 H new ATOM 597 N LYS A 40 -8.331 2.040 2.137 1.00 0.00 N ATOM 598 CA LYS A 40 -9.516 2.415 1.380 1.00 0.00 C ATOM 599 C LYS A 40 -10.474 1.238 1.280 1.00 0.00 C ATOM 600 O LYS A 40 -10.048 0.084 1.259 1.00 0.00 O ATOM 601 CB LYS A 40 -9.129 2.876 -0.029 1.00 0.00 C ATOM 602 CG LYS A 40 -8.314 4.157 -0.068 1.00 0.00 C ATOM 603 CD LYS A 40 -7.845 4.462 -1.484 1.00 0.00 C ATOM 604 CE LYS A 40 -7.097 5.783 -1.569 1.00 0.00 C ATOM 605 NZ LYS A 40 -7.986 6.943 -1.307 1.00 0.00 N ATOM 0 H LYS A 40 -7.712 1.390 1.654 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.007 3.236 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.560 2.083 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.038 3.020 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.915 4.986 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.452 4.064 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.198 3.657 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.706 4.490 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.279 5.783 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.651 5.884 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.490 7.823 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.848 6.857 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.243 6.963 -0.300 1.00 0.00 H new ATOM 619 N LYS A 41 -11.760 1.523 1.230 1.00 0.00 N ATOM 620 CA LYS A 41 -12.754 0.489 1.014 1.00 0.00 C ATOM 621 C LYS A 41 -13.290 0.618 -0.405 1.00 0.00 C ATOM 622 O LYS A 41 -14.106 1.491 -0.703 1.00 0.00 O ATOM 623 CB LYS A 41 -13.880 0.596 2.044 1.00 0.00 C ATOM 624 CG LYS A 41 -14.756 -0.643 2.114 1.00 0.00 C ATOM 625 CD LYS A 41 -15.729 -0.570 3.277 1.00 0.00 C ATOM 626 CE LYS A 41 -16.543 -1.846 3.402 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.461 -1.806 4.570 1.00 0.00 N ATOM 0 H LYS A 41 -12.142 2.463 1.336 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.298 -0.493 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.446 0.781 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.502 1.458 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.309 -0.752 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.129 -1.528 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.180 -0.395 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.399 0.278 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.121 -1.998 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.870 -2.698 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.998 -2.695 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.908 -1.686 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.120 -1.008 4.466 1.00 0.00 H new ATOM 641 N ILE A 42 -12.797 -0.238 -1.285 1.00 0.00 N ATOM 642 CA ILE A 42 -13.037 -0.083 -2.710 1.00 0.00 C ATOM 643 C ILE A 42 -14.304 -0.798 -3.168 1.00 0.00 C ATOM 644 O ILE A 42 -14.321 -2.017 -3.302 1.00 0.00 O ATOM 645 CB ILE A 42 -11.836 -0.598 -3.538 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.548 0.125 -3.126 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.091 -0.417 -5.030 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.588 1.625 -3.343 1.00 0.00 C ATOM 0 H ILE A 42 -12.228 -1.048 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.167 0.986 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.716 -1.663 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.352 -0.075 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.713 -0.291 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.234 -0.786 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.982 -0.976 -5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.240 0.640 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.641 2.064 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.751 1.836 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.400 2.056 -2.758 1.00 0.00 H new ATOM 660 N LYS A 43 -15.364 -0.015 -3.359 1.00 0.00 N ATOM 661 CA LYS A 43 -16.567 -0.452 -4.071 1.00 0.00 C ATOM 662 C LYS A 43 -17.206 -1.708 -3.466 1.00 0.00 C ATOM 663 O LYS A 43 -17.771 -2.535 -4.190 1.00 0.00 O ATOM 664 CB LYS A 43 -16.219 -0.701 -5.540 1.00 0.00 C ATOM 665 CG LYS A 43 -17.351 -0.372 -6.493 1.00 0.00 C ATOM 666 CD LYS A 43 -17.038 -0.816 -7.908 1.00 0.00 C ATOM 667 CE LYS A 43 -18.098 -0.337 -8.885 1.00 0.00 C ATOM 668 NZ LYS A 43 -19.474 -0.672 -8.427 1.00 0.00 N ATOM 0 H LYS A 43 -15.414 0.947 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.304 0.345 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.346 -0.104 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.940 -1.747 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.266 -0.857 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.537 0.702 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.064 -0.428 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.972 -1.903 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.012 0.742 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.921 -0.789 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.142 -0.547 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.501 -1.660 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.741 -0.044 -7.643 1.00 0.00 H new ATOM 682 N GLY A 44 -17.148 -1.834 -2.149 1.00 0.00 N ATOM 683 CA GLY A 44 -17.766 -2.971 -1.492 1.00 0.00 C ATOM 684 C GLY A 44 -16.902 -4.213 -1.540 1.00 0.00 C ATOM 685 O GLY A 44 -17.376 -5.298 -1.872 1.00 0.00 O ATOM 0 H GLY A 44 -16.686 -1.173 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.972 -2.717 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.725 -3.182 -1.965 1.00 0.00 H new ATOM 689 N TYR A 45 -15.632 -4.052 -1.219 1.00 0.00 N ATOM 690 CA TYR A 45 -14.710 -5.176 -1.148 1.00 0.00 C ATOM 691 C TYR A 45 -14.301 -5.438 0.295 1.00 0.00 C ATOM 692 O TYR A 45 -14.498 -4.592 1.170 1.00 0.00 O ATOM 693 CB TYR A 45 -13.469 -4.918 -2.012 1.00 0.00 C ATOM 694 CG TYR A 45 -13.639 -5.308 -3.466 1.00 0.00 C ATOM 695 CD1 TYR A 45 -14.729 -4.868 -4.207 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.711 -6.127 -4.092 1.00 0.00 C ATOM 697 CE1 TYR A 45 -14.887 -5.230 -5.530 1.00 0.00 C ATOM 698 CE2 TYR A 45 -12.861 -6.495 -5.416 1.00 0.00 C ATOM 699 CZ TYR A 45 -13.951 -6.045 -6.130 1.00 0.00 C ATOM 700 OH TYR A 45 -14.108 -6.413 -7.446 1.00 0.00 O ATOM 0 H TYR A 45 -15.211 -3.149 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.220 -6.059 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.215 -3.859 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.627 -5.470 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.466 -4.231 -3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.857 -6.483 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.739 -4.877 -6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.128 -7.132 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.361 -6.987 -7.716 1.00 0.00 H new ATOM 710 N THR A 46 -13.742 -6.610 0.535 1.00 0.00 N ATOM 711 CA THR A 46 -13.305 -6.996 1.865 1.00 0.00 C ATOM 712 C THR A 46 -11.790 -7.169 1.879 1.00 0.00 C ATOM 713 O THR A 46 -11.222 -7.718 0.940 1.00 0.00 O ATOM 714 CB THR A 46 -13.988 -8.312 2.297 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.413 -8.157 2.257 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.564 -8.725 3.697 1.00 0.00 C ATOM 0 H THR A 46 -13.579 -7.318 -0.181 1.00 0.00 H new ATOM 0 HA THR A 46 -13.586 -6.212 2.568 1.00 0.00 H new ATOM 0 HB THR A 46 -13.679 -9.092 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.841 -8.995 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.063 -9.655 3.969 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.484 -8.872 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.840 -7.944 4.406 1.00 0.00 H new ATOM 724 N LEU A 47 -11.128 -6.692 2.924 1.00 0.00 N ATOM 725 CA LEU A 47 -9.681 -6.805 2.998 1.00 0.00 C ATOM 726 C LEU A 47 -9.278 -8.260 3.184 1.00 0.00 C ATOM 727 O LEU A 47 -9.724 -8.922 4.120 1.00 0.00 O ATOM 728 CB LEU A 47 -9.114 -5.968 4.146 1.00 0.00 C ATOM 729 CG LEU A 47 -7.587 -5.950 4.227 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.999 -5.265 3.006 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.124 -5.263 5.499 1.00 0.00 C ATOM 0 H LEU A 47 -11.564 -6.229 3.722 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.271 -6.427 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.471 -4.943 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.510 -6.350 5.087 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.233 -6.981 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.911 -5.261 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.300 -5.803 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.363 -4.239 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.035 -5.262 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.489 -4.236 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.516 -5.798 6.364 1.00 0.00 H new ATOM 743 N LEU A 48 -8.446 -8.754 2.288 1.00 0.00 N ATOM 744 CA LEU A 48 -7.966 -10.119 2.378 1.00 0.00 C ATOM 745 C LEU A 48 -6.753 -10.185 3.294 1.00 0.00 C ATOM 746 O LEU A 48 -6.696 -11.010 4.207 1.00 0.00 O ATOM 747 CB LEU A 48 -7.608 -10.652 0.987 1.00 0.00 C ATOM 748 CG LEU A 48 -7.038 -12.073 0.957 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.055 -13.072 1.490 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.611 -12.442 -0.454 1.00 0.00 C ATOM 0 H LEU A 48 -8.088 -8.230 1.489 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.758 -10.742 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.502 -10.624 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.882 -9.977 0.533 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.160 -12.106 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.630 -14.075 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.311 -12.817 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.954 -13.040 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.208 -13.455 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.472 -12.391 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.846 -11.745 -0.797 1.00 0.00 H new ATOM 762 N LYS A 49 -5.808 -9.281 3.063 1.00 0.00 N ATOM 763 CA LYS A 49 -4.541 -9.279 3.784 1.00 0.00 C ATOM 764 C LYS A 49 -3.642 -8.162 3.277 1.00 0.00 C ATOM 765 O LYS A 49 -3.558 -7.919 2.073 1.00 0.00 O ATOM 766 CB LYS A 49 -3.820 -10.629 3.610 1.00 0.00 C ATOM 767 CG LYS A 49 -2.396 -10.655 4.151 1.00 0.00 C ATOM 768 CD LYS A 49 -1.733 -12.002 3.901 1.00 0.00 C ATOM 769 CE LYS A 49 -0.251 -11.986 4.254 1.00 0.00 C ATOM 770 NZ LYS A 49 -0.010 -11.629 5.678 1.00 0.00 N ATOM 0 H LYS A 49 -5.897 -8.533 2.375 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.754 -9.118 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.400 -11.404 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.798 -10.882 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.811 -9.866 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.407 -10.446 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.237 -12.768 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.853 -12.275 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.179 -12.967 4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.265 -11.273 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.007 -11.698 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.334 -10.656 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.534 -12.283 6.293 1.00 0.00 H new ATOM 784 N TYR A 50 -2.996 -7.468 4.197 1.00 0.00 N ATOM 785 CA TYR A 50 -1.912 -6.575 3.838 1.00 0.00 C ATOM 786 C TYR A 50 -0.595 -7.320 4.015 1.00 0.00 C ATOM 787 O TYR A 50 -0.230 -7.697 5.126 1.00 0.00 O ATOM 788 CB TYR A 50 -1.948 -5.269 4.653 1.00 0.00 C ATOM 789 CG TYR A 50 -2.188 -5.439 6.143 1.00 0.00 C ATOM 790 CD1 TYR A 50 -3.478 -5.537 6.648 1.00 0.00 C ATOM 791 CD2 TYR A 50 -1.130 -5.480 7.042 1.00 0.00 C ATOM 792 CE1 TYR A 50 -3.707 -5.675 8.003 1.00 0.00 C ATOM 793 CE2 TYR A 50 -1.350 -5.616 8.400 1.00 0.00 C ATOM 794 CZ TYR A 50 -2.640 -5.713 8.874 1.00 0.00 C ATOM 795 OH TYR A 50 -2.868 -5.849 10.227 1.00 0.00 O ATOM 0 H TYR A 50 -3.203 -7.506 5.195 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.021 -6.275 2.796 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.002 -4.746 4.512 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.731 -4.628 4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.317 -5.505 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.118 -5.404 6.674 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.717 -5.753 8.378 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.516 -5.646 9.085 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.012 -5.860 10.704 1.00 0.00 H new ATOM 805 N ASP A 51 0.093 -7.560 2.907 1.00 0.00 N ATOM 806 CA ASP A 51 1.281 -8.415 2.893 1.00 0.00 C ATOM 807 C ASP A 51 2.519 -7.648 3.360 1.00 0.00 C ATOM 808 O ASP A 51 3.600 -7.752 2.780 1.00 0.00 O ATOM 809 CB ASP A 51 1.491 -8.977 1.484 1.00 0.00 C ATOM 810 CG ASP A 51 2.491 -10.116 1.449 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.468 -10.961 2.364 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.286 -10.189 0.484 1.00 0.00 O ATOM 0 H ASP A 51 -0.151 -7.172 1.996 1.00 0.00 H new ATOM 0 HA ASP A 51 1.126 -9.240 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.536 -9.326 1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.834 -8.178 0.826 1.00 0.00 H new ATOM 817 N SER A 52 2.343 -6.881 4.424 1.00 0.00 N ATOM 818 CA SER A 52 3.415 -6.104 5.024 1.00 0.00 C ATOM 819 C SER A 52 3.025 -5.747 6.452 1.00 0.00 C ATOM 820 O SER A 52 1.900 -6.021 6.876 1.00 0.00 O ATOM 821 CB SER A 52 3.676 -4.825 4.219 1.00 0.00 C ATOM 822 OG SER A 52 3.971 -5.115 2.864 1.00 0.00 O ATOM 0 H SER A 52 1.446 -6.780 4.899 1.00 0.00 H new ATOM 0 HA SER A 52 4.330 -6.697 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.802 -4.176 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.507 -4.277 4.664 1.00 0.00 H new ATOM 0 HG SER A 52 4.214 -6.060 2.777 1.00 0.00 H new ATOM 828 N GLU A 53 3.938 -5.147 7.193 1.00 0.00 N ATOM 829 CA GLU A 53 3.625 -4.678 8.530 1.00 0.00 C ATOM 830 C GLU A 53 3.526 -3.161 8.531 1.00 0.00 C ATOM 831 O GLU A 53 4.427 -2.470 8.059 1.00 0.00 O ATOM 832 CB GLU A 53 4.666 -5.169 9.535 1.00 0.00 C ATOM 833 CG GLU A 53 4.659 -6.679 9.695 1.00 0.00 C ATOM 834 CD GLU A 53 5.583 -7.160 10.789 1.00 0.00 C ATOM 835 OE1 GLU A 53 5.296 -6.886 11.973 1.00 0.00 O ATOM 836 OE2 GLU A 53 6.593 -7.821 10.473 1.00 0.00 O ATOM 0 H GLU A 53 4.898 -4.974 6.894 1.00 0.00 H new ATOM 0 HA GLU A 53 2.662 -5.087 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.656 -4.846 9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.478 -4.704 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.644 -7.011 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.951 -7.140 8.751 1.00 0.00 H new ATOM 843 N ILE A 54 2.416 -2.654 9.042 1.00 0.00 N ATOM 844 CA ILE A 54 2.121 -1.232 8.972 1.00 0.00 C ATOM 845 C ILE A 54 2.421 -0.535 10.295 1.00 0.00 C ATOM 846 O ILE A 54 2.787 -1.187 11.274 1.00 0.00 O ATOM 847 CB ILE A 54 0.641 -0.993 8.598 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.287 -1.612 9.651 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.348 -1.573 7.219 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.759 -1.372 9.389 1.00 0.00 C ATOM 0 H ILE A 54 1.701 -3.209 9.512 1.00 0.00 H new ATOM 0 HA ILE A 54 2.763 -0.811 8.198 1.00 0.00 H new ATOM 0 HB ILE A 54 0.457 0.081 8.571 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.106 -2.686 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.031 -1.206 10.630 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.698 -1.399 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.986 -1.091 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.546 -2.645 7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.350 -1.840 10.176 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.956 -0.300 9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.032 -1.803 8.426 1.00 0.00 H new ATOM 862 N LEU A 55 2.274 0.792 10.298 1.00 0.00 N ATOM 863 CA LEU A 55 2.444 1.610 11.501 1.00 0.00 C ATOM 864 C LEU A 55 3.894 1.571 11.993 1.00 0.00 C ATOM 865 O LEU A 55 4.174 1.761 13.175 1.00 0.00 O ATOM 866 CB LEU A 55 1.478 1.142 12.601 1.00 0.00 C ATOM 867 CG LEU A 55 1.342 2.079 13.804 1.00 0.00 C ATOM 868 CD1 LEU A 55 0.799 3.432 13.372 1.00 0.00 C ATOM 869 CD2 LEU A 55 0.446 1.455 14.860 1.00 0.00 C ATOM 0 H LEU A 55 2.034 1.330 9.465 1.00 0.00 H new ATOM 0 HA LEU A 55 2.209 2.644 11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.492 1.003 12.158 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.808 0.166 12.958 1.00 0.00 H new ATOM 0 HG LEU A 55 2.331 2.232 14.236 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.710 4.083 14.242 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.479 3.883 12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.182 3.301 12.915 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.359 2.132 15.709 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.542 1.273 14.437 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.878 0.511 15.192 1.00 0.00 H new ATOM 881 N GLY A 56 4.817 1.341 11.072 1.00 0.00 N ATOM 882 CA GLY A 56 6.220 1.325 11.422 1.00 0.00 C ATOM 883 C GLY A 56 6.886 2.656 11.143 1.00 0.00 C ATOM 884 O GLY A 56 6.232 3.704 11.161 1.00 0.00 O ATOM 0 H GLY A 56 4.618 1.165 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.328 1.079 12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.726 0.541 10.859 1.00 0.00 H new ATOM 888 N VAL A 57 8.182 2.621 10.871 1.00 0.00 N ATOM 889 CA VAL A 57 8.930 3.828 10.549 1.00 0.00 C ATOM 890 C VAL A 57 9.540 3.717 9.158 1.00 0.00 C ATOM 891 O VAL A 57 9.744 2.611 8.652 1.00 0.00 O ATOM 892 CB VAL A 57 10.050 4.107 11.577 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.461 4.399 12.950 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.026 2.941 11.652 1.00 0.00 C ATOM 0 H VAL A 57 8.739 1.767 10.867 1.00 0.00 H new ATOM 0 HA VAL A 57 8.225 4.659 10.580 1.00 0.00 H new ATOM 0 HB VAL A 57 10.599 4.988 11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.267 4.592 13.658 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.813 5.274 12.890 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.880 3.540 13.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.804 3.164 12.383 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.493 2.039 11.953 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.481 2.784 10.674 1.00 0.00 H new ATOM 904 N PHE A 58 9.804 4.859 8.534 1.00 0.00 N ATOM 905 CA PHE A 58 10.446 4.884 7.226 1.00 0.00 C ATOM 906 C PHE A 58 11.856 4.306 7.309 1.00 0.00 C ATOM 907 O PHE A 58 12.751 4.909 7.910 1.00 0.00 O ATOM 908 CB PHE A 58 10.492 6.309 6.669 1.00 0.00 C ATOM 909 CG PHE A 58 9.145 6.848 6.282 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.625 6.598 5.024 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.398 7.600 7.172 1.00 0.00 C ATOM 912 CE1 PHE A 58 7.387 7.089 4.661 1.00 0.00 C ATOM 913 CE2 PHE A 58 7.158 8.094 6.816 1.00 0.00 C ATOM 914 CZ PHE A 58 6.652 7.837 5.559 1.00 0.00 C ATOM 0 H PHE A 58 9.583 5.780 8.913 1.00 0.00 H new ATOM 0 HA PHE A 58 9.855 4.268 6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.937 6.967 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.146 6.328 5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.195 6.012 4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.790 7.803 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.994 6.888 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.586 8.680 7.520 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.682 8.220 5.278 1.00 0.00 H new ATOM 924 N THR A 59 12.032 3.132 6.719 1.00 0.00 N ATOM 925 CA THR A 59 13.302 2.425 6.749 1.00 0.00 C ATOM 926 C THR A 59 14.275 2.962 5.698 1.00 0.00 C ATOM 927 O THR A 59 13.949 3.886 4.956 1.00 0.00 O ATOM 928 CB THR A 59 13.077 0.918 6.526 1.00 0.00 C ATOM 929 OG1 THR A 59 12.146 0.716 5.450 1.00 0.00 O ATOM 930 CG2 THR A 59 12.548 0.255 7.791 1.00 0.00 C ATOM 0 H THR A 59 11.298 2.644 6.206 1.00 0.00 H new ATOM 0 HA THR A 59 13.744 2.588 7.732 1.00 0.00 H new ATOM 0 HB THR A 59 14.034 0.464 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.516 1.090 4.623 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.397 -0.809 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.268 0.386 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.600 0.713 8.072 1.00 0.00 H new ATOM 938 N GLU A 60 15.461 2.359 5.630 1.00 0.00 N ATOM 939 CA GLU A 60 16.509 2.785 4.698 1.00 0.00 C ATOM 940 C GLU A 60 16.258 2.256 3.287 1.00 0.00 C ATOM 941 O GLU A 60 17.142 2.297 2.426 1.00 0.00 O ATOM 942 CB GLU A 60 17.875 2.288 5.175 1.00 0.00 C ATOM 943 CG GLU A 60 18.255 2.758 6.566 1.00 0.00 C ATOM 944 CD GLU A 60 19.607 2.241 7.000 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.678 1.100 7.509 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.606 2.969 6.843 1.00 0.00 O ATOM 0 H GLU A 60 15.724 1.566 6.215 1.00 0.00 H new ATOM 0 HA GLU A 60 16.494 3.875 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.879 1.198 5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.637 2.621 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.261 3.848 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.498 2.428 7.277 1.00 0.00 H new ATOM 953 N SER A 61 15.065 1.744 3.050 1.00 0.00 N ATOM 954 CA SER A 61 14.717 1.187 1.757 1.00 0.00 C ATOM 955 C SER A 61 13.238 1.411 1.469 1.00 0.00 C ATOM 956 O SER A 61 12.413 1.370 2.384 1.00 0.00 O ATOM 957 CB SER A 61 15.048 -0.307 1.730 1.00 0.00 C ATOM 958 OG SER A 61 16.396 -0.531 2.116 1.00 0.00 O ATOM 0 H SER A 61 14.316 1.702 3.741 1.00 0.00 H new ATOM 0 HA SER A 61 15.298 1.689 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.378 -0.845 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.881 -0.703 0.728 1.00 0.00 H new ATOM 0 HG SER A 61 16.587 -1.492 2.094 1.00 0.00 H new ATOM 964 N PRO A 62 12.892 1.678 0.198 1.00 0.00 N ATOM 965 CA PRO A 62 11.500 1.856 -0.225 1.00 0.00 C ATOM 966 C PRO A 62 10.659 0.618 0.063 1.00 0.00 C ATOM 967 O PRO A 62 10.944 -0.475 -0.436 1.00 0.00 O ATOM 968 CB PRO A 62 11.602 2.095 -1.735 1.00 0.00 C ATOM 969 CG PRO A 62 13.005 2.537 -1.963 1.00 0.00 C ATOM 970 CD PRO A 62 13.831 1.835 -0.925 1.00 0.00 C ATOM 0 HA PRO A 62 11.013 2.672 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.379 1.186 -2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.891 2.854 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.338 2.278 -2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.094 3.619 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.196 0.872 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.705 2.421 -0.641 1.00 0.00 H new ATOM 978 N GLN A 63 9.628 0.792 0.871 1.00 0.00 N ATOM 979 CA GLN A 63 8.779 -0.318 1.277 1.00 0.00 C ATOM 980 C GLN A 63 7.657 -0.519 0.269 1.00 0.00 C ATOM 981 O GLN A 63 7.288 0.406 -0.454 1.00 0.00 O ATOM 982 CB GLN A 63 8.190 -0.052 2.662 1.00 0.00 C ATOM 983 CG GLN A 63 9.224 0.339 3.703 1.00 0.00 C ATOM 984 CD GLN A 63 8.599 0.635 5.050 1.00 0.00 C ATOM 985 OE1 GLN A 63 7.445 1.048 5.127 1.00 0.00 O ATOM 986 NE2 GLN A 63 9.360 0.446 6.115 1.00 0.00 N ATOM 0 H GLN A 63 9.356 1.694 1.261 1.00 0.00 H new ATOM 0 HA GLN A 63 9.385 -1.223 1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.448 0.742 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.666 -0.946 3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.950 -0.467 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.770 1.217 3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.314 0.101 6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.993 0.645 7.046 1.00 0.00 H new ATOM 995 N THR A 64 7.125 -1.728 0.210 1.00 0.00 N ATOM 996 CA THR A 64 6.009 -2.021 -0.667 1.00 0.00 C ATOM 997 C THR A 64 4.914 -2.753 0.106 1.00 0.00 C ATOM 998 O THR A 64 5.012 -3.953 0.354 1.00 0.00 O ATOM 999 CB THR A 64 6.460 -2.882 -1.867 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.581 -2.259 -2.514 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.327 -3.054 -2.869 1.00 0.00 C ATOM 0 H THR A 64 7.450 -2.523 0.761 1.00 0.00 H new ATOM 0 HA THR A 64 5.618 -1.076 -1.045 1.00 0.00 H new ATOM 0 HB THR A 64 6.747 -3.866 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.866 -2.808 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.670 -3.664 -3.705 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.483 -3.545 -2.384 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.015 -2.077 -3.237 1.00 0.00 H new ATOM 1009 N ILE A 65 3.886 -2.018 0.510 1.00 0.00 N ATOM 1010 CA ILE A 65 2.794 -2.609 1.264 1.00 0.00 C ATOM 1011 C ILE A 65 1.696 -3.072 0.319 1.00 0.00 C ATOM 1012 O ILE A 65 0.958 -2.260 -0.247 1.00 0.00 O ATOM 1013 CB ILE A 65 2.202 -1.633 2.307 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.285 -1.199 3.302 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.034 -2.281 3.041 1.00 0.00 C ATOM 1016 CD1 ILE A 65 2.777 -0.283 4.395 1.00 0.00 C ATOM 0 H ILE A 65 3.788 -1.019 0.329 1.00 0.00 H new ATOM 0 HA ILE A 65 3.204 -3.461 1.805 1.00 0.00 H new ATOM 0 HB ILE A 65 1.833 -0.749 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.723 -2.087 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.083 -0.693 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.629 -1.580 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.257 -2.548 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.379 -3.179 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.599 -0.019 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.366 0.622 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.000 -0.792 4.964 1.00 0.00 H new ATOM 1028 N ASN A 66 1.616 -4.377 0.133 1.00 0.00 N ATOM 1029 CA ASN A 66 0.609 -4.962 -0.737 1.00 0.00 C ATOM 1030 C ASN A 66 -0.689 -5.165 0.024 1.00 0.00 C ATOM 1031 O ASN A 66 -0.844 -6.140 0.759 1.00 0.00 O ATOM 1032 CB ASN A 66 1.086 -6.298 -1.313 1.00 0.00 C ATOM 1033 CG ASN A 66 2.295 -6.153 -2.219 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.163 -5.886 -3.411 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.482 -6.354 -1.666 1.00 0.00 N ATOM 0 H ASN A 66 2.238 -5.055 0.574 1.00 0.00 H new ATOM 0 HA ASN A 66 0.438 -4.272 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.331 -6.974 -0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.272 -6.758 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.327 -6.289 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.551 -6.574 -0.672 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.607 -4.229 -0.131 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.902 -4.320 0.515 1.00 0.00 C ATOM 1044 C ILE A 67 -3.890 -4.985 -0.432 1.00 0.00 C ATOM 1045 O ILE A 67 -4.346 -4.378 -1.400 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.425 -2.931 0.939 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.378 -2.208 1.789 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.726 -3.070 1.713 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.808 -0.830 2.249 1.00 0.00 C ATOM 0 H ILE A 67 -1.478 -3.393 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.794 -4.919 1.419 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.615 -2.342 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.150 -2.818 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.456 -2.118 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.083 -2.082 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.473 -3.554 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.556 -3.673 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.014 -0.381 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.008 -0.202 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.712 -0.913 2.852 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.198 -6.240 -0.156 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.991 -7.054 -1.062 1.00 0.00 C ATOM 1063 C ILE A 68 -6.459 -7.084 -0.637 1.00 0.00 C ATOM 1064 O ILE A 68 -6.778 -7.393 0.515 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.432 -8.492 -1.121 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.979 -8.468 -1.609 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.286 -9.370 -2.021 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.318 -9.829 -1.625 1.00 0.00 C ATOM 0 H ILE A 68 -3.908 -6.721 0.695 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.930 -6.605 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.460 -8.917 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.950 -8.048 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.401 -7.801 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.871 -10.378 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.304 -9.406 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.296 -8.957 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.293 -9.731 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.314 -10.243 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.871 -10.494 -2.288 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.344 -6.756 -1.569 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.774 -6.736 -1.303 1.00 0.00 C ATOM 1082 C TYR A 69 -9.473 -7.871 -2.035 1.00 0.00 C ATOM 1083 O TYR A 69 -9.371 -7.992 -3.253 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.383 -5.399 -1.730 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.789 -4.206 -1.022 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.323 -3.748 0.172 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -7.696 -3.535 -1.554 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -8.785 -2.654 0.820 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.152 -2.441 -0.913 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.699 -2.004 0.272 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.159 -0.912 0.913 1.00 0.00 O ATOM 0 H TYR A 69 -7.092 -6.498 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.917 -6.865 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.249 -5.276 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.457 -5.423 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.174 -4.255 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.265 -3.875 -2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.212 -2.309 1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.301 -1.930 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.766 -0.616 1.623 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.199 -8.681 -1.290 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.910 -9.816 -1.849 1.00 0.00 C ATOM 1103 C GLN A 70 -12.316 -9.399 -2.248 1.00 0.00 C ATOM 1104 O GLN A 70 -12.996 -8.680 -1.504 1.00 0.00 O ATOM 1105 CB GLN A 70 -10.976 -10.956 -0.831 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.672 -12.202 -1.354 1.00 0.00 C ATOM 1107 CD GLN A 70 -12.028 -13.184 -0.255 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.350 -13.271 0.770 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -13.103 -13.930 -0.458 1.00 0.00 N ATOM 0 H GLN A 70 -10.313 -8.572 -0.282 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.374 -10.165 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.963 -11.218 -0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.497 -10.606 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.580 -11.910 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.026 -12.695 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.639 -13.829 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.395 -14.606 0.248 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.753 -9.836 -3.417 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.100 -9.549 -3.871 1.00 0.00 C ATOM 1120 C LYS A 71 -15.101 -10.428 -3.136 1.00 0.00 C ATOM 1121 O LYS A 71 -15.131 -11.643 -3.327 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.236 -9.769 -5.380 1.00 0.00 C ATOM 1123 CG LYS A 71 -15.640 -9.494 -5.896 1.00 0.00 C ATOM 1124 CD LYS A 71 -15.790 -9.855 -7.365 1.00 0.00 C ATOM 1125 CE LYS A 71 -17.220 -9.646 -7.838 1.00 0.00 C ATOM 1126 NZ LYS A 71 -17.618 -8.214 -7.787 1.00 0.00 N ATOM 0 H LYS A 71 -12.195 -10.390 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.308 -8.501 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.530 -9.122 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.962 -10.797 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.360 -10.063 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.877 -8.439 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.113 -9.245 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.502 -10.895 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.322 -10.015 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.897 -10.233 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.530 -8.090 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.709 -7.914 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.894 -7.635 -8.258 1.00 0.00 H new ATOM 1140 N LYS A 72 -15.899 -9.812 -2.279 1.00 0.00 N ATOM 1141 CA LYS A 72 -16.985 -10.518 -1.626 1.00 0.00 C ATOM 1142 C LYS A 72 -18.085 -10.786 -2.648 1.00 0.00 C ATOM 1143 O LYS A 72 -18.342 -9.941 -3.515 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.525 -9.706 -0.444 1.00 0.00 C ATOM 1145 CG LYS A 72 -18.165 -8.388 -0.844 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.679 -7.624 0.363 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.570 -6.467 -0.052 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.741 -6.924 -0.848 1.00 0.00 N ATOM 0 H LYS A 72 -15.815 -8.829 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.619 -11.466 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.259 -10.307 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.709 -9.506 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.437 -7.777 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -18.989 -8.578 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.236 -8.299 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.836 -7.247 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.919 -5.941 0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.989 -5.754 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.607 -6.488 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.615 -6.645 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.820 -7.959 -0.787 1.00 0.00 H new ATOM 1162 N ALA A 73 -18.715 -11.952 -2.546 1.00 0.00 N ATOM 1163 CA ALA A 73 -19.708 -12.402 -3.521 1.00 0.00 C ATOM 1164 C ALA A 73 -19.074 -12.587 -4.901 1.00 0.00 C ATOM 1165 O ALA A 73 -18.921 -11.632 -5.668 1.00 0.00 O ATOM 1166 CB ALA A 73 -20.889 -11.442 -3.588 1.00 0.00 C ATOM 0 H ALA A 73 -18.553 -12.613 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 73 -20.085 -13.370 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -21.610 -11.803 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -21.365 -11.382 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -20.538 -10.453 -3.881 1.00 0.00 H new ATOM 1172 N PRO A 74 -18.685 -13.828 -5.226 1.00 0.00 N ATOM 1173 CA PRO A 74 -18.006 -14.148 -6.487 1.00 0.00 C ATOM 1174 C PRO A 74 -18.887 -13.912 -7.711 1.00 0.00 C ATOM 1175 O PRO A 74 -20.118 -13.941 -7.629 1.00 0.00 O ATOM 1176 CB PRO A 74 -17.668 -15.634 -6.349 1.00 0.00 C ATOM 1177 CG PRO A 74 -18.628 -16.155 -5.339 1.00 0.00 C ATOM 1178 CD PRO A 74 -18.881 -15.022 -4.388 1.00 0.00 C ATOM 0 HA PRO A 74 -17.135 -13.512 -6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.776 -16.153 -7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -16.637 -15.776 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.554 -16.482 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.215 -17.018 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.888 -15.062 -3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.189 -15.041 -3.546 1.00 0.00 H new ATOM 1186 N GLU A 75 -18.245 -13.686 -8.847 1.00 0.00 N ATOM 1187 CA GLU A 75 -18.947 -13.409 -10.090 1.00 0.00 C ATOM 1188 C GLU A 75 -18.422 -14.334 -11.182 1.00 0.00 C ATOM 1189 O GLU A 75 -17.246 -14.700 -11.170 1.00 0.00 O ATOM 1190 CB GLU A 75 -18.746 -11.942 -10.476 1.00 0.00 C ATOM 1191 CG GLU A 75 -19.652 -11.462 -11.595 1.00 0.00 C ATOM 1192 CD GLU A 75 -19.562 -9.966 -11.801 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -19.751 -9.219 -10.817 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -19.323 -9.527 -12.945 1.00 0.00 O ATOM 0 H GLU A 75 -17.229 -13.689 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 75 -20.015 -13.589 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.914 -11.321 -9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -17.708 -11.796 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.384 -11.971 -12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.683 -11.734 -11.368 1.00 0.00 H new ATOM 1201 N GLN A 76 -19.287 -14.717 -12.112 1.00 0.00 N ATOM 1202 CA GLN A 76 -18.915 -15.671 -13.152 1.00 0.00 C ATOM 1203 C GLN A 76 -18.124 -14.992 -14.263 1.00 0.00 C ATOM 1204 O GLN A 76 -17.018 -15.416 -14.603 1.00 0.00 O ATOM 1205 CB GLN A 76 -20.159 -16.334 -13.741 1.00 0.00 C ATOM 1206 CG GLN A 76 -20.984 -17.109 -12.728 1.00 0.00 C ATOM 1207 CD GLN A 76 -22.175 -17.797 -13.360 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -22.728 -17.321 -14.353 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -22.578 -18.926 -12.794 1.00 0.00 N ATOM 0 H GLN A 76 -20.249 -14.383 -12.169 1.00 0.00 H new ATOM 0 HA GLN A 76 -18.286 -16.433 -12.692 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -20.787 -15.567 -14.195 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -19.854 -17.010 -14.540 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -20.353 -17.854 -12.243 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -21.331 -16.429 -11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -22.092 -19.286 -11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -23.374 -19.434 -13.180 1.00 0.00 H new ATOM 1218 N ALA A 77 -18.695 -13.944 -14.829 1.00 0.00 N ATOM 1219 CA ALA A 77 -18.062 -13.236 -15.929 1.00 0.00 C ATOM 1220 C ALA A 77 -17.085 -12.191 -15.410 1.00 0.00 C ATOM 1221 O ALA A 77 -17.410 -11.412 -14.514 1.00 0.00 O ATOM 1222 CB ALA A 77 -19.114 -12.588 -16.814 1.00 0.00 C ATOM 0 H ALA A 77 -19.598 -13.563 -14.545 1.00 0.00 H new ATOM 0 HA ALA A 77 -17.502 -13.958 -16.524 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -18.626 -12.061 -17.634 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -19.773 -13.356 -17.218 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -19.699 -11.881 -16.226 1.00 0.00 H new ATOM 1228 N LEU A 78 -15.889 -12.181 -15.976 1.00 0.00 N ATOM 1229 CA LEU A 78 -14.870 -11.217 -15.595 1.00 0.00 C ATOM 1230 C LEU A 78 -15.159 -9.874 -16.263 1.00 0.00 C ATOM 1231 O LEU A 78 -16.062 -9.777 -17.097 1.00 0.00 O ATOM 1232 CB LEU A 78 -13.485 -11.741 -15.996 1.00 0.00 C ATOM 1233 CG LEU A 78 -12.289 -10.944 -15.465 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -12.285 -10.930 -13.943 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -10.988 -11.526 -15.995 1.00 0.00 C ATOM 0 H LEU A 78 -15.599 -12.833 -16.705 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.884 -11.076 -14.514 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.393 -12.771 -15.650 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.428 -11.764 -17.084 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.378 -9.916 -15.816 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.428 -10.359 -13.587 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.204 -10.469 -13.581 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.220 -11.952 -13.570 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.147 -10.949 -15.609 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.895 -12.563 -15.672 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.987 -11.484 -17.084 1.00 0.00 H new ATOM 1247 N GLU A 79 -14.412 -8.843 -15.891 1.00 0.00 N ATOM 1248 CA GLU A 79 -14.587 -7.522 -16.478 1.00 0.00 C ATOM 1249 C GLU A 79 -14.246 -7.546 -17.962 1.00 0.00 C ATOM 1250 O GLU A 79 -13.103 -7.799 -18.345 1.00 0.00 O ATOM 1251 CB GLU A 79 -13.714 -6.491 -15.761 1.00 0.00 C ATOM 1252 CG GLU A 79 -14.513 -5.411 -15.052 1.00 0.00 C ATOM 1253 CD GLU A 79 -15.412 -4.641 -15.997 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -16.573 -5.060 -16.193 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -14.970 -3.609 -16.540 1.00 0.00 O ATOM 0 H GLU A 79 -13.678 -8.897 -15.184 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.633 -7.238 -16.361 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.084 -7.003 -15.034 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.048 -6.023 -16.486 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.119 -5.867 -14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.828 -4.719 -14.562 1.00 0.00 H new ATOM 1262 N HIS A 80 -15.241 -7.299 -18.795 1.00 0.00 N ATOM 1263 CA HIS A 80 -15.040 -7.293 -20.234 1.00 0.00 C ATOM 1264 C HIS A 80 -14.978 -5.863 -20.738 1.00 0.00 C ATOM 1265 O HIS A 80 -15.988 -5.159 -20.759 1.00 0.00 O ATOM 1266 CB HIS A 80 -16.161 -8.054 -20.946 1.00 0.00 C ATOM 1267 CG HIS A 80 -16.360 -9.445 -20.430 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -15.497 -10.481 -20.306 1.00 0.00 N flip ATOM 1269 CD2 HIS A 80 -17.567 -9.896 -19.953 1.00 0.00 C flip ATOM 1270 CE1 HIS A 80 -16.195 -11.529 -19.759 1.00 0.00 C flip ATOM 1271 NE2 HIS A 80 -17.442 -11.148 -19.557 1.00 0.00 N flip ATOM 0 H HIS A 80 -16.197 -7.100 -18.500 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.097 -7.794 -20.453 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.092 -7.498 -20.838 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.939 -8.099 -22.012 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.512 -10.482 -20.570 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.477 -9.316 -19.909 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.790 -12.504 -19.532 1.00 0.00 H new ATOM 1280 N HIS A 81 -13.791 -5.443 -21.149 1.00 0.00 N ATOM 1281 CA HIS A 81 -13.563 -4.066 -21.572 1.00 0.00 C ATOM 1282 C HIS A 81 -14.348 -3.742 -22.838 1.00 0.00 C ATOM 1283 O HIS A 81 -14.763 -2.606 -23.044 1.00 0.00 O ATOM 1284 CB HIS A 81 -12.071 -3.810 -21.811 1.00 0.00 C ATOM 1285 CG HIS A 81 -11.213 -4.044 -20.604 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -11.297 -3.285 -19.458 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -10.250 -4.966 -20.371 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -10.421 -3.728 -18.575 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -9.777 -4.749 -19.105 1.00 0.00 N ATOM 0 H HIS A 81 -12.965 -6.039 -21.199 1.00 0.00 H new ATOM 0 HA HIS A 81 -13.911 -3.416 -20.770 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.727 -4.455 -22.620 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.938 -2.781 -22.145 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.917 -5.731 -21.057 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.260 -3.323 -17.587 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.044 -5.290 -18.646 1.00 0.00 H new ATOM 1298 N HIS A 82 -14.560 -4.749 -23.677 1.00 0.00 N ATOM 1299 CA HIS A 82 -15.298 -4.558 -24.921 1.00 0.00 C ATOM 1300 C HIS A 82 -16.787 -4.815 -24.721 1.00 0.00 C ATOM 1301 O HIS A 82 -17.515 -5.100 -25.668 1.00 0.00 O ATOM 1302 CB HIS A 82 -14.736 -5.453 -26.028 1.00 0.00 C ATOM 1303 CG HIS A 82 -13.470 -4.921 -26.626 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -12.239 -5.517 -26.457 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -13.252 -3.828 -27.393 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -11.321 -4.812 -27.092 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -11.908 -3.780 -27.670 1.00 0.00 N ATOM 0 H HIS A 82 -14.233 -5.702 -23.520 1.00 0.00 H new ATOM 0 HA HIS A 82 -15.176 -3.519 -25.227 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -14.550 -6.448 -25.624 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -15.484 -5.563 -26.813 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.999 -3.122 -27.726 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.266 -5.041 -27.132 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.441 -3.066 -28.229 1.00 0.00 H new ATOM 1316 N HIS A 83 -17.229 -4.708 -23.479 1.00 0.00 N ATOM 1317 CA HIS A 83 -18.648 -4.775 -23.156 1.00 0.00 C ATOM 1318 C HIS A 83 -18.974 -3.682 -22.149 1.00 0.00 C ATOM 1319 O HIS A 83 -19.883 -2.877 -22.352 1.00 0.00 O ATOM 1320 CB HIS A 83 -19.019 -6.155 -22.595 1.00 0.00 C ATOM 1321 CG HIS A 83 -20.492 -6.333 -22.351 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -21.298 -7.128 -23.138 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -21.303 -5.814 -21.396 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -22.536 -7.084 -22.682 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -22.563 -6.297 -21.627 1.00 0.00 N ATOM 0 H HIS A 83 -16.622 -4.573 -22.671 1.00 0.00 H new ATOM 0 HA HIS A 83 -19.232 -4.623 -24.064 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -18.680 -6.923 -23.290 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.483 -6.313 -21.659 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -21.010 -5.144 -20.601 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -23.383 -7.605 -23.103 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -23.390 -6.082 -21.071 1.00 0.00 H new ATOM 1334 N HIS A 84 -18.222 -3.666 -21.060 1.00 0.00 N ATOM 1335 CA HIS A 84 -18.325 -2.612 -20.069 1.00 0.00 C ATOM 1336 C HIS A 84 -17.261 -1.561 -20.352 1.00 0.00 C ATOM 1337 O HIS A 84 -16.119 -1.677 -19.907 1.00 0.00 O ATOM 1338 CB HIS A 84 -18.170 -3.187 -18.652 1.00 0.00 C ATOM 1339 CG HIS A 84 -18.115 -2.150 -17.565 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -17.037 -2.013 -16.719 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -19.008 -1.206 -17.185 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -17.266 -1.032 -15.870 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -18.454 -0.524 -16.130 1.00 0.00 N ATOM 0 H HIS A 84 -17.527 -4.380 -20.841 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.310 -2.148 -20.129 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.003 -3.861 -18.453 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.260 -3.786 -18.613 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -16.192 -2.583 -16.746 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.976 -1.024 -17.629 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -16.594 -0.700 -15.092 1.00 0.00 H new ATOM 1352 N HIS A 85 -17.633 -0.565 -21.138 1.00 0.00 N ATOM 1353 CA HIS A 85 -16.708 0.485 -21.523 1.00 0.00 C ATOM 1354 C HIS A 85 -16.664 1.556 -20.443 1.00 0.00 C ATOM 1355 O HIS A 85 -17.560 2.426 -20.430 1.00 0.00 O ATOM 1356 CB HIS A 85 -17.130 1.095 -22.864 1.00 0.00 C ATOM 1357 CG HIS A 85 -16.066 1.924 -23.519 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -15.765 3.213 -23.139 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -15.234 1.636 -24.549 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -14.799 3.680 -23.905 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -14.457 2.746 -24.770 1.00 0.00 N ATOM 1362 OXT HIS A 85 -15.743 1.524 -19.603 1.00 0.00 O ATOM 0 H HIS A 85 -18.572 -0.462 -21.523 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.711 0.058 -21.636 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -17.419 0.292 -23.542 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -18.014 1.714 -22.708 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -15.190 0.705 -25.095 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.361 4.665 -23.835 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -13.735 2.833 -25.485 1.00 0.00 H new TER 1371 HIS A 85