USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 651 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 72 SER OG : rot -56:sc= -0.347 USER MOD Set 1.2: A 73 THR OG1 : rot 81:sc= 1.23 USER MOD Set 2.1: A 5 LYS NZ :NH3+ 162:sc= -0.226 (180deg=-1.07) USER MOD Set 2.2: A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -72:sc= 1.12 USER MOD Single : A 15 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 16 THR OG1 : rot 4:sc= 0.29 USER MOD Single : A 21 SER OG : rot 94:sc= 1.08 USER MOD Single : A 22 SER OG : rot -29:sc= 0.389 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 82:sc= 0.487 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.959 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.508 F(o=-2.5!,f=-0.51) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.203) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.153 F(o=-1.5,f=-0.15) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0431 F(o=-1.7!,f=-0.043) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.0401 (180deg=-0.326) USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= -0.262 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -0.155 -3.300 0.569 1.00 0.00 N ATOM 55 CA PRO A 4 0.651 -4.054 1.584 1.00 0.00 C ATOM 56 C PRO A 4 1.821 -3.236 2.137 1.00 0.00 C ATOM 57 O PRO A 4 2.332 -3.523 3.218 1.00 0.00 O ATOM 58 CB PRO A 4 1.147 -5.296 0.818 1.00 0.00 C ATOM 59 CG PRO A 4 0.166 -5.497 -0.293 1.00 0.00 C ATOM 60 CD PRO A 4 -0.383 -4.112 -0.644 1.00 0.00 C ATOM 0 HA PRO A 4 0.058 -4.304 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.154 -5.142 0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.187 -6.169 1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.647 -5.954 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.637 -6.166 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.132 -3.689 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.442 -4.158 -0.896 1.00 0.00 H new ATOM 68 N LYS A 5 2.250 -2.230 1.385 1.00 0.00 N ATOM 69 CA LYS A 5 3.361 -1.392 1.818 1.00 0.00 C ATOM 70 C LYS A 5 2.947 -0.513 2.995 1.00 0.00 C ATOM 71 O LYS A 5 3.777 0.182 3.583 1.00 0.00 O ATOM 72 CB LYS A 5 3.846 -0.514 0.655 1.00 0.00 C ATOM 73 CG LYS A 5 2.707 0.394 0.188 1.00 0.00 C ATOM 74 CD LYS A 5 3.183 1.274 -0.976 1.00 0.00 C ATOM 75 CE LYS A 5 2.057 2.227 -1.405 1.00 0.00 C ATOM 76 NZ LYS A 5 1.392 2.796 -0.199 1.00 0.00 N ATOM 0 H LYS A 5 1.850 -1.976 0.481 1.00 0.00 H new ATOM 0 HA LYS A 5 4.175 -2.042 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.698 0.088 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.187 -1.140 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.855 -0.209 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.368 1.020 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.061 1.846 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.483 0.649 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.462 3.030 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.329 1.693 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.856 3.646 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.743 2.091 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.112 3.049 0.508 1.00 0.00 H new ATOM 90 N THR A 6 1.653 -0.539 3.334 1.00 0.00 N ATOM 91 CA THR A 6 1.135 0.268 4.445 1.00 0.00 C ATOM 92 C THR A 6 0.124 -0.528 5.273 1.00 0.00 C ATOM 93 O THR A 6 0.284 -0.671 6.486 1.00 0.00 O ATOM 94 CB THR A 6 0.470 1.540 3.889 1.00 0.00 C ATOM 95 OG1 THR A 6 -0.215 1.224 2.687 1.00 0.00 O ATOM 96 CG2 THR A 6 1.529 2.614 3.605 1.00 0.00 C ATOM 0 H THR A 6 0.950 -1.105 2.859 1.00 0.00 H new ATOM 0 HA THR A 6 1.967 0.542 5.094 1.00 0.00 H new ATOM 0 HB THR A 6 -0.234 1.924 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.641 2.032 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.044 3.508 3.212 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.053 2.861 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.243 2.237 2.873 1.00 0.00 H new ATOM 104 N LEU A 7 -0.934 -1.011 4.625 1.00 0.00 N ATOM 105 CA LEU A 7 -1.973 -1.754 5.338 1.00 0.00 C ATOM 106 C LEU A 7 -1.375 -2.980 6.029 1.00 0.00 C ATOM 107 O LEU A 7 -1.577 -3.179 7.224 1.00 0.00 O ATOM 108 CB LEU A 7 -3.063 -2.200 4.343 1.00 0.00 C ATOM 109 CG LEU A 7 -4.428 -2.318 5.043 1.00 0.00 C ATOM 110 CD1 LEU A 7 -4.313 -3.268 6.242 1.00 0.00 C ATOM 111 CD2 LEU A 7 -4.904 -0.923 5.521 1.00 0.00 C ATOM 0 H LEU A 7 -1.094 -0.904 3.623 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.412 -1.105 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.130 -1.483 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.790 -3.160 3.904 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.157 -2.716 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.281 -3.350 6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.997 -4.253 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.578 -2.878 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.871 -1.018 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.178 -0.511 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.999 -0.257 4.663 1.00 0.00 H new ATOM 123 N LEU A 8 -0.629 -3.781 5.283 1.00 0.00 N ATOM 124 CA LEU A 8 -0.003 -4.964 5.855 1.00 0.00 C ATOM 125 C LEU A 8 1.089 -4.557 6.838 1.00 0.00 C ATOM 126 O LEU A 8 1.363 -5.266 7.806 1.00 0.00 O ATOM 127 CB LEU A 8 0.572 -5.858 4.750 1.00 0.00 C ATOM 128 CG LEU A 8 1.072 -7.209 5.338 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.739 -8.356 4.377 1.00 0.00 C ATOM 130 CD2 LEU A 8 2.592 -7.165 5.536 1.00 0.00 C ATOM 0 H LEU A 8 -0.443 -3.636 4.291 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.761 -5.533 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.190 -6.045 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.395 -5.345 4.253 1.00 0.00 H new ATOM 0 HG LEU A 8 0.577 -7.372 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.093 -9.297 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.340 -8.407 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.227 -8.181 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.933 -8.115 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.079 -6.990 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.846 -6.359 6.224 1.00 0.00 H new ATOM 142 N ARG A 9 1.722 -3.418 6.570 1.00 0.00 N ATOM 143 CA ARG A 9 2.789 -2.927 7.432 1.00 0.00 C ATOM 144 C ARG A 9 2.253 -2.661 8.836 1.00 0.00 C ATOM 145 O ARG A 9 3.016 -2.570 9.798 1.00 0.00 O ATOM 146 CB ARG A 9 3.399 -1.640 6.855 1.00 0.00 C ATOM 147 CG ARG A 9 4.761 -1.338 7.533 1.00 0.00 C ATOM 148 CD ARG A 9 5.919 -1.820 6.645 1.00 0.00 C ATOM 149 NE ARG A 9 5.574 -3.088 6.012 1.00 0.00 N ATOM 150 CZ ARG A 9 6.450 -3.753 5.266 1.00 0.00 C ATOM 151 NH1 ARG A 9 7.651 -3.272 5.087 1.00 0.00 N ATOM 152 NH2 ARG A 9 6.112 -4.884 4.712 1.00 0.00 N ATOM 0 H ARG A 9 1.515 -2.822 5.768 1.00 0.00 H new ATOM 0 HA ARG A 9 3.565 -3.690 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.536 -1.745 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.716 -0.805 7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.855 -0.267 7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.809 -1.831 8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.138 -1.072 5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.822 -1.938 7.244 1.00 0.00 H new ATOM 0 HE ARG A 9 4.639 -3.473 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.916 -2.387 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.324 -3.781 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.174 -5.260 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.786 -5.393 4.140 1.00 0.00 H new ATOM 166 N VAL A 10 0.932 -2.548 8.948 1.00 0.00 N ATOM 167 CA VAL A 10 0.300 -2.302 10.240 1.00 0.00 C ATOM 168 C VAL A 10 0.706 -3.383 11.236 1.00 0.00 C ATOM 169 O VAL A 10 0.942 -3.093 12.402 1.00 0.00 O ATOM 170 CB VAL A 10 -1.229 -2.284 10.092 1.00 0.00 C ATOM 171 CG1 VAL A 10 -1.885 -2.269 11.478 1.00 0.00 C ATOM 172 CG2 VAL A 10 -1.659 -1.033 9.310 1.00 0.00 C ATOM 0 H VAL A 10 0.283 -2.622 8.165 1.00 0.00 H new ATOM 0 HA VAL A 10 0.632 -1.331 10.608 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.545 -3.177 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.969 -2.256 11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.587 -3.160 12.031 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.565 -1.380 12.022 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.744 -1.023 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.338 -0.140 9.846 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.201 -1.047 8.321 1.00 0.00 H new ATOM 182 N SER A 11 0.771 -4.625 10.780 1.00 0.00 N ATOM 183 CA SER A 11 1.144 -5.722 11.664 1.00 0.00 C ATOM 184 C SER A 11 2.454 -5.408 12.382 1.00 0.00 C ATOM 185 O SER A 11 2.575 -5.619 13.589 1.00 0.00 O ATOM 186 CB SER A 11 1.307 -7.004 10.848 1.00 0.00 C ATOM 187 OG SER A 11 2.329 -6.811 9.878 1.00 0.00 O ATOM 0 H SER A 11 0.574 -4.898 9.817 1.00 0.00 H new ATOM 0 HA SER A 11 0.358 -5.855 12.407 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.563 -7.837 11.503 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.367 -7.260 10.359 1.00 0.00 H new ATOM 0 HG SER A 11 2.003 -6.211 9.175 1.00 0.00 H new ATOM 193 N ILE A 12 3.435 -4.902 11.640 1.00 0.00 N ATOM 194 CA ILE A 12 4.726 -4.562 12.233 1.00 0.00 C ATOM 195 C ILE A 12 4.585 -3.378 13.191 1.00 0.00 C ATOM 196 O ILE A 12 5.072 -3.425 14.320 1.00 0.00 O ATOM 197 CB ILE A 12 5.726 -4.213 11.132 1.00 0.00 C ATOM 198 CG1 ILE A 12 5.865 -5.397 10.170 1.00 0.00 C ATOM 199 CG2 ILE A 12 7.089 -3.904 11.753 1.00 0.00 C ATOM 200 CD1 ILE A 12 6.637 -4.956 8.926 1.00 0.00 C ATOM 0 H ILE A 12 3.364 -4.720 10.639 1.00 0.00 H new ATOM 0 HA ILE A 12 5.086 -5.425 12.794 1.00 0.00 H new ATOM 0 HB ILE A 12 5.368 -3.339 10.587 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.385 -6.219 10.661 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.880 -5.767 9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.800 -3.656 10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.995 -3.060 12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.445 -4.776 12.301 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.736 -5.798 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.099 -4.148 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.628 -4.607 9.217 1.00 0.00 H new ATOM 212 N ILE A 13 3.926 -2.318 12.731 1.00 0.00 N ATOM 213 CA ILE A 13 3.740 -1.120 13.553 1.00 0.00 C ATOM 214 C ILE A 13 2.902 -1.446 14.788 1.00 0.00 C ATOM 215 O ILE A 13 3.213 -1.011 15.896 1.00 0.00 O ATOM 216 CB ILE A 13 3.041 -0.031 12.731 1.00 0.00 C ATOM 217 CG1 ILE A 13 3.963 0.411 11.592 1.00 0.00 C ATOM 218 CG2 ILE A 13 2.743 1.178 13.625 1.00 0.00 C ATOM 219 CD1 ILE A 13 3.165 1.238 10.581 1.00 0.00 C ATOM 0 H ILE A 13 3.513 -2.261 11.800 1.00 0.00 H new ATOM 0 HA ILE A 13 4.718 -0.762 13.875 1.00 0.00 H new ATOM 0 HB ILE A 13 2.109 -0.427 12.326 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.790 1.000 11.987 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.398 -0.461 11.103 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.246 1.951 13.038 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.094 0.872 14.446 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.676 1.572 14.027 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.821 1.553 9.770 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.353 0.634 10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.752 2.117 11.075 1.00 0.00 H new ATOM 231 N GLY A 14 1.838 -2.205 14.586 1.00 0.00 N ATOM 232 CA GLY A 14 0.961 -2.582 15.686 1.00 0.00 C ATOM 233 C GLY A 14 1.688 -3.494 16.662 1.00 0.00 C ATOM 234 O GLY A 14 1.578 -3.337 17.878 1.00 0.00 O ATOM 0 H GLY A 14 1.560 -2.572 13.676 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.614 -1.688 16.205 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.077 -3.088 15.297 1.00 0.00 H new ATOM 238 N THR A 15 2.438 -4.444 16.117 1.00 0.00 N ATOM 239 CA THR A 15 3.190 -5.381 16.937 1.00 0.00 C ATOM 240 C THR A 15 4.294 -4.654 17.700 1.00 0.00 C ATOM 241 O THR A 15 4.826 -5.170 18.684 1.00 0.00 O ATOM 242 CB THR A 15 3.817 -6.470 16.062 1.00 0.00 C ATOM 243 OG1 THR A 15 2.790 -7.208 15.415 1.00 0.00 O ATOM 244 CG2 THR A 15 4.649 -7.409 16.937 1.00 0.00 C ATOM 0 H THR A 15 2.541 -4.584 15.112 1.00 0.00 H new ATOM 0 HA THR A 15 2.501 -5.839 17.647 1.00 0.00 H new ATOM 0 HB THR A 15 4.459 -6.009 15.311 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.482 -6.716 14.625 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.096 -8.185 16.315 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.437 -6.842 17.432 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.008 -7.870 17.688 1.00 0.00 H new ATOM 252 N THR A 16 4.631 -3.450 17.242 1.00 0.00 N ATOM 253 CA THR A 16 5.668 -2.658 17.894 1.00 0.00 C ATOM 254 C THR A 16 5.199 -2.207 19.271 1.00 0.00 C ATOM 255 O THR A 16 5.935 -2.305 20.252 1.00 0.00 O ATOM 256 CB THR A 16 6.012 -1.430 17.046 1.00 0.00 C ATOM 257 OG1 THR A 16 6.179 -1.826 15.693 1.00 0.00 O ATOM 258 CG2 THR A 16 7.311 -0.805 17.553 1.00 0.00 C ATOM 0 H THR A 16 4.204 -3.006 16.429 1.00 0.00 H new ATOM 0 HA THR A 16 6.557 -3.279 18.002 1.00 0.00 H new ATOM 0 HB THR A 16 5.205 -0.701 17.119 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.971 -2.779 15.603 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.555 0.069 16.949 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.188 -0.504 18.593 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.118 -1.534 17.479 1.00 0.00 H new ATOM 266 N LEU A 17 3.970 -1.695 19.330 1.00 0.00 N ATOM 267 CA LEU A 17 3.414 -1.218 20.590 1.00 0.00 C ATOM 268 C LEU A 17 3.229 -2.379 21.557 1.00 0.00 C ATOM 269 O LEU A 17 3.562 -2.275 22.737 1.00 0.00 O ATOM 270 CB LEU A 17 2.066 -0.528 20.343 1.00 0.00 C ATOM 271 CG LEU A 17 2.270 0.767 19.526 1.00 0.00 C ATOM 272 CD1 LEU A 17 0.986 1.103 18.759 1.00 0.00 C ATOM 273 CD2 LEU A 17 2.607 1.940 20.462 1.00 0.00 C ATOM 0 H LEU A 17 3.348 -1.601 18.527 1.00 0.00 H new ATOM 0 HA LEU A 17 4.108 -0.500 21.028 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.397 -1.202 19.808 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.589 -0.295 21.295 1.00 0.00 H new ATOM 0 HG LEU A 17 3.092 0.610 18.828 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.134 2.017 18.184 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.742 0.284 18.082 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.168 1.247 19.465 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.748 2.846 19.873 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.789 2.089 21.167 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.523 1.717 21.010 1.00 0.00 H new ATOM 285 N VAL A 18 2.699 -3.487 21.045 1.00 0.00 N ATOM 286 CA VAL A 18 2.475 -4.662 21.874 1.00 0.00 C ATOM 287 C VAL A 18 3.798 -5.179 22.419 1.00 0.00 C ATOM 288 O VAL A 18 3.906 -5.517 23.598 1.00 0.00 O ATOM 289 CB VAL A 18 1.791 -5.766 21.053 1.00 0.00 C ATOM 290 CG1 VAL A 18 1.645 -7.038 21.900 1.00 0.00 C ATOM 291 CG2 VAL A 18 0.402 -5.290 20.621 1.00 0.00 C ATOM 0 H VAL A 18 2.420 -3.593 20.070 1.00 0.00 H new ATOM 0 HA VAL A 18 1.829 -4.382 22.706 1.00 0.00 H new ATOM 0 HB VAL A 18 2.399 -5.985 20.176 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.159 -7.815 21.309 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.631 -7.383 22.212 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.041 -6.821 22.781 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.085 -6.072 20.038 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.198 -5.068 21.504 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.498 -4.391 20.013 1.00 0.00 H new ATOM 301 N ALA A 19 4.800 -5.249 21.552 1.00 0.00 N ATOM 302 CA ALA A 19 6.106 -5.736 21.963 1.00 0.00 C ATOM 303 C ALA A 19 6.698 -4.831 23.032 1.00 0.00 C ATOM 304 O ALA A 19 7.031 -5.271 24.133 1.00 0.00 O ATOM 305 CB ALA A 19 7.042 -5.775 20.754 1.00 0.00 C ATOM 0 H ALA A 19 4.733 -4.978 20.571 1.00 0.00 H new ATOM 0 HA ALA A 19 5.992 -6.739 22.374 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.021 -6.140 21.064 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.629 -6.441 19.996 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.143 -4.772 20.340 1.00 0.00 H new ATOM 311 N LEU A 20 6.827 -3.551 22.692 1.00 0.00 N ATOM 312 CA LEU A 20 7.389 -2.580 23.618 1.00 0.00 C ATOM 313 C LEU A 20 6.525 -2.494 24.877 1.00 0.00 C ATOM 314 O LEU A 20 7.047 -2.356 25.984 1.00 0.00 O ATOM 315 CB LEU A 20 7.479 -1.192 22.946 1.00 0.00 C ATOM 316 CG LEU A 20 8.712 -0.429 23.455 1.00 0.00 C ATOM 317 CD1 LEU A 20 8.684 -0.361 24.989 1.00 0.00 C ATOM 318 CD2 LEU A 20 10.003 -1.139 22.977 1.00 0.00 C ATOM 0 H LEU A 20 6.551 -3.167 21.788 1.00 0.00 H new ATOM 0 HA LEU A 20 8.392 -2.903 23.897 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.537 -1.308 21.864 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.576 -0.619 23.158 1.00 0.00 H new ATOM 0 HG LEU A 20 8.698 0.585 23.055 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.560 0.181 25.345 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.781 0.156 25.314 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.691 -1.371 25.398 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.874 -0.594 23.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.024 -2.157 23.366 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.021 -1.166 21.887 1.00 0.00 H new ATOM 330 N SER A 21 5.207 -2.572 24.710 1.00 0.00 N ATOM 331 CA SER A 21 4.305 -2.489 25.852 1.00 0.00 C ATOM 332 C SER A 21 4.597 -3.599 26.857 1.00 0.00 C ATOM 333 O SER A 21 4.181 -3.527 27.997 1.00 0.00 O ATOM 334 CB SER A 21 2.856 -2.569 25.369 1.00 0.00 C ATOM 335 OG SER A 21 2.512 -1.347 24.730 1.00 0.00 O ATOM 0 H SER A 21 4.746 -2.691 23.808 1.00 0.00 H new ATOM 0 HA SER A 21 4.461 -1.534 26.354 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.736 -3.402 24.677 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.189 -2.754 26.211 1.00 0.00 H new ATOM 0 HG SER A 21 2.658 -1.430 23.764 1.00 0.00 H new ATOM 341 N SER A 22 5.270 -4.643 26.399 1.00 0.00 N ATOM 342 CA SER A 22 5.585 -5.779 27.267 1.00 0.00 C ATOM 343 C SER A 22 6.464 -5.340 28.449 1.00 0.00 C ATOM 344 O SER A 22 6.747 -6.132 29.348 1.00 0.00 O ATOM 345 CB SER A 22 6.305 -6.867 26.468 1.00 0.00 C ATOM 346 OG SER A 22 6.428 -8.035 27.268 1.00 0.00 O ATOM 0 H SER A 22 5.608 -4.732 25.441 1.00 0.00 H new ATOM 0 HA SER A 22 4.648 -6.176 27.659 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.750 -7.093 25.558 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.291 -6.517 26.162 1.00 0.00 H new ATOM 0 HG SER A 22 6.477 -7.781 28.213 1.00 0.00 H new ATOM 352 N PHE A 23 6.908 -4.079 28.434 1.00 0.00 N ATOM 353 CA PHE A 23 7.771 -3.549 29.510 1.00 0.00 C ATOM 354 C PHE A 23 7.140 -2.328 30.185 1.00 0.00 C ATOM 355 O PHE A 23 7.349 -2.084 31.375 1.00 0.00 O ATOM 356 CB PHE A 23 9.137 -3.179 28.919 1.00 0.00 C ATOM 357 CG PHE A 23 9.932 -4.441 28.664 1.00 0.00 C ATOM 358 CD1 PHE A 23 9.749 -5.160 27.476 1.00 0.00 C ATOM 359 CD2 PHE A 23 10.855 -4.888 29.617 1.00 0.00 C ATOM 360 CE1 PHE A 23 10.490 -6.324 27.242 1.00 0.00 C ATOM 361 CE2 PHE A 23 11.595 -6.053 29.383 1.00 0.00 C ATOM 362 CZ PHE A 23 11.413 -6.772 28.195 1.00 0.00 C ATOM 0 H PHE A 23 6.690 -3.407 27.698 1.00 0.00 H new ATOM 0 HA PHE A 23 7.890 -4.319 30.272 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.006 -2.625 27.990 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.678 -2.527 29.605 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.036 -4.816 26.741 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.996 -4.334 30.533 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.350 -6.877 26.325 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.307 -6.397 30.119 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.984 -7.671 28.014 1.00 0.00 H new ATOM 372 N THR A 24 6.370 -1.567 29.424 1.00 0.00 N ATOM 373 CA THR A 24 5.719 -0.378 29.963 1.00 0.00 C ATOM 374 C THR A 24 5.172 -0.610 31.396 1.00 0.00 C ATOM 375 O THR A 24 5.507 0.146 32.308 1.00 0.00 O ATOM 376 CB THR A 24 4.574 0.054 29.019 1.00 0.00 C ATOM 377 OG1 THR A 24 5.106 0.808 27.938 1.00 0.00 O ATOM 378 CG2 THR A 24 3.552 0.916 29.773 1.00 0.00 C ATOM 0 H THR A 24 6.180 -1.747 28.438 1.00 0.00 H new ATOM 0 HA THR A 24 6.466 0.413 30.028 1.00 0.00 H new ATOM 0 HB THR A 24 4.079 -0.841 28.643 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.379 1.080 27.340 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.753 1.211 29.093 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.132 0.343 30.600 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.044 1.807 30.163 1.00 0.00 H new ATOM 386 N PRO A 25 4.326 -1.602 31.604 1.00 0.00 N ATOM 387 CA PRO A 25 3.717 -1.885 32.945 1.00 0.00 C ATOM 388 C PRO A 25 4.769 -1.986 34.047 1.00 0.00 C ATOM 389 O PRO A 25 4.545 -1.534 35.162 1.00 0.00 O ATOM 390 CB PRO A 25 2.970 -3.238 32.746 1.00 0.00 C ATOM 391 CG PRO A 25 3.490 -3.788 31.457 1.00 0.00 C ATOM 392 CD PRO A 25 3.853 -2.575 30.619 1.00 0.00 C ATOM 0 HA PRO A 25 3.054 -1.082 33.268 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.166 -3.921 33.573 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.891 -3.089 32.704 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.359 -4.425 31.624 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.738 -4.399 30.959 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.625 -2.811 29.886 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.993 -2.199 30.066 1.00 0.00 H new ATOM 400 N VAL A 26 5.901 -2.603 33.745 1.00 0.00 N ATOM 401 CA VAL A 26 6.945 -2.765 34.747 1.00 0.00 C ATOM 402 C VAL A 26 7.220 -1.444 35.462 1.00 0.00 C ATOM 403 O VAL A 26 7.217 -1.393 36.691 1.00 0.00 O ATOM 404 CB VAL A 26 8.229 -3.246 34.070 1.00 0.00 C ATOM 405 CG1 VAL A 26 9.305 -3.488 35.127 1.00 0.00 C ATOM 406 CG2 VAL A 26 7.958 -4.545 33.306 1.00 0.00 C ATOM 0 H VAL A 26 6.119 -2.995 32.829 1.00 0.00 H new ATOM 0 HA VAL A 26 6.610 -3.498 35.481 1.00 0.00 H new ATOM 0 HB VAL A 26 8.573 -2.484 33.370 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.220 -3.831 34.643 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.504 -2.560 35.663 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.960 -4.246 35.830 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.876 -4.883 32.826 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.609 -5.309 34.000 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.195 -4.369 32.547 1.00 0.00 H new ATOM 416 N LEU A 27 7.461 -0.377 34.703 1.00 0.00 N ATOM 417 CA LEU A 27 7.731 0.924 35.310 1.00 0.00 C ATOM 418 C LEU A 27 6.482 1.461 36.013 1.00 0.00 C ATOM 419 O LEU A 27 6.547 1.881 37.170 1.00 0.00 O ATOM 420 CB LEU A 27 8.185 1.908 34.231 1.00 0.00 C ATOM 421 CG LEU A 27 9.656 1.649 33.870 1.00 0.00 C ATOM 422 CD1 LEU A 27 10.587 2.033 35.050 1.00 0.00 C ATOM 423 CD2 LEU A 27 9.835 0.165 33.521 1.00 0.00 C ATOM 0 H LEU A 27 7.475 -0.386 33.683 1.00 0.00 H new ATOM 0 HA LEU A 27 8.521 0.808 36.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.560 1.802 33.344 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.064 2.931 34.586 1.00 0.00 H new ATOM 0 HG LEU A 27 9.925 2.264 33.011 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.624 1.842 34.773 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.463 3.091 35.282 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.330 1.437 35.925 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.877 -0.025 33.264 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.555 -0.447 34.379 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.200 -0.088 32.672 1.00 0.00 H new ATOM 435 N VAL A 28 5.349 1.453 35.312 1.00 0.00 N ATOM 436 CA VAL A 28 4.104 1.958 35.887 1.00 0.00 C ATOM 437 C VAL A 28 3.743 1.179 37.148 1.00 0.00 C ATOM 438 O VAL A 28 3.421 1.771 38.170 1.00 0.00 O ATOM 439 CB VAL A 28 2.972 1.831 34.863 1.00 0.00 C ATOM 440 CG1 VAL A 28 1.641 2.245 35.502 1.00 0.00 C ATOM 441 CG2 VAL A 28 3.265 2.732 33.661 1.00 0.00 C ATOM 0 H VAL A 28 5.267 1.107 34.356 1.00 0.00 H new ATOM 0 HA VAL A 28 4.242 3.007 36.150 1.00 0.00 H new ATOM 0 HB VAL A 28 2.903 0.794 34.533 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.841 2.152 34.768 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.429 1.598 36.353 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.706 3.279 35.839 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.459 2.641 32.933 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.339 3.768 33.992 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.206 2.430 33.201 1.00 0.00 H new ATOM 451 N ILE A 29 3.807 -0.139 37.063 1.00 0.00 N ATOM 452 CA ILE A 29 3.491 -0.985 38.207 1.00 0.00 C ATOM 453 C ILE A 29 4.356 -0.602 39.408 1.00 0.00 C ATOM 454 O ILE A 29 3.897 -0.658 40.549 1.00 0.00 O ATOM 455 CB ILE A 29 3.700 -2.465 37.856 1.00 0.00 C ATOM 456 CG1 ILE A 29 2.622 -2.914 36.866 1.00 0.00 C ATOM 457 CG2 ILE A 29 3.612 -3.324 39.122 1.00 0.00 C ATOM 458 CD1 ILE A 29 3.013 -4.264 36.264 1.00 0.00 C ATOM 0 H ILE A 29 4.073 -0.647 36.219 1.00 0.00 H new ATOM 0 HA ILE A 29 2.443 -0.833 38.467 1.00 0.00 H new ATOM 0 HB ILE A 29 4.686 -2.586 37.408 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.660 -2.994 37.372 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.506 -2.172 36.076 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.762 -4.372 38.862 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.382 -3.012 39.828 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.630 -3.200 39.578 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.246 -4.584 35.559 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.966 -4.168 35.744 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.106 -5.004 37.059 1.00 0.00 H new ATOM 470 N LEU A 30 5.613 -0.247 39.157 1.00 0.00 N ATOM 471 CA LEU A 30 6.522 0.105 40.243 1.00 0.00 C ATOM 472 C LEU A 30 5.879 1.128 41.177 1.00 0.00 C ATOM 473 O LEU A 30 6.129 1.115 42.381 1.00 0.00 O ATOM 474 CB LEU A 30 7.831 0.666 39.673 1.00 0.00 C ATOM 475 CG LEU A 30 8.892 0.797 40.784 1.00 0.00 C ATOM 476 CD1 LEU A 30 9.276 -0.596 41.318 1.00 0.00 C ATOM 477 CD2 LEU A 30 10.141 1.487 40.209 1.00 0.00 C ATOM 0 H LEU A 30 6.021 -0.196 38.224 1.00 0.00 H new ATOM 0 HA LEU A 30 6.738 -0.797 40.815 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.201 0.011 38.884 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.649 1.640 39.219 1.00 0.00 H new ATOM 0 HG LEU A 30 8.483 1.389 41.603 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.026 -0.491 42.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.392 -1.086 41.725 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.683 -1.198 40.505 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.896 1.583 40.990 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.541 0.891 39.389 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.873 2.477 39.840 1.00 0.00 H new ATOM 489 N LEU A 31 5.067 2.018 40.616 1.00 0.00 N ATOM 490 CA LEU A 31 4.400 3.039 41.420 1.00 0.00 C ATOM 491 C LEU A 31 3.285 2.414 42.260 1.00 0.00 C ATOM 492 O LEU A 31 2.945 2.912 43.333 1.00 0.00 O ATOM 493 CB LEU A 31 3.839 4.149 40.509 1.00 0.00 C ATOM 494 CG LEU A 31 2.415 3.802 40.020 1.00 0.00 C ATOM 495 CD1 LEU A 31 1.346 4.255 41.044 1.00 0.00 C ATOM 496 CD2 LEU A 31 2.160 4.474 38.659 1.00 0.00 C ATOM 0 H LEU A 31 4.856 2.055 39.619 1.00 0.00 H new ATOM 0 HA LEU A 31 5.129 3.483 42.098 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.820 5.094 41.052 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.498 4.287 39.651 1.00 0.00 H new ATOM 0 HG LEU A 31 2.341 2.720 39.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.354 3.997 40.673 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.518 3.753 41.996 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.412 5.334 41.185 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.155 4.229 38.315 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.254 5.555 38.764 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.890 4.115 37.933 1.00 0.00 H new ATOM 508 N GLY A 32 2.703 1.331 41.746 1.00 0.00 N ATOM 509 CA GLY A 32 1.614 0.651 42.438 1.00 0.00 C ATOM 510 C GLY A 32 2.126 -0.335 43.483 1.00 0.00 C ATOM 511 O GLY A 32 1.669 -0.330 44.627 1.00 0.00 O ATOM 0 H GLY A 32 2.968 0.909 40.856 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.974 1.390 42.920 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.998 0.121 41.711 1.00 0.00 H new ATOM 515 N VAL A 33 3.060 -1.194 43.078 1.00 0.00 N ATOM 516 CA VAL A 33 3.601 -2.199 43.986 1.00 0.00 C ATOM 517 C VAL A 33 4.091 -1.544 45.277 1.00 0.00 C ATOM 518 O VAL A 33 3.872 -2.067 46.364 1.00 0.00 O ATOM 519 CB VAL A 33 4.754 -2.957 43.313 1.00 0.00 C ATOM 520 CG1 VAL A 33 5.976 -2.045 43.200 1.00 0.00 C ATOM 521 CG2 VAL A 33 5.115 -4.190 44.144 1.00 0.00 C ATOM 0 H VAL A 33 3.453 -1.214 42.137 1.00 0.00 H new ATOM 0 HA VAL A 33 2.808 -2.905 44.231 1.00 0.00 H new ATOM 0 HB VAL A 33 4.442 -3.269 42.316 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.792 -2.587 42.722 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.723 -1.170 42.602 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.286 -1.727 44.195 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.934 -4.726 43.663 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.422 -3.879 45.143 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.247 -4.845 44.219 1.00 0.00 H new ATOM 531 N VAL A 34 4.755 -0.398 45.140 1.00 0.00 N ATOM 532 CA VAL A 34 5.267 0.325 46.303 1.00 0.00 C ATOM 533 C VAL A 34 4.114 0.839 47.162 1.00 0.00 C ATOM 534 O VAL A 34 4.224 0.896 48.388 1.00 0.00 O ATOM 535 CB VAL A 34 6.140 1.506 45.869 1.00 0.00 C ATOM 536 CG1 VAL A 34 7.374 0.991 45.128 1.00 0.00 C ATOM 537 CG2 VAL A 34 5.339 2.414 44.939 1.00 0.00 C ATOM 0 H VAL A 34 4.950 0.047 44.243 1.00 0.00 H new ATOM 0 HA VAL A 34 5.872 -0.368 46.887 1.00 0.00 H new ATOM 0 HB VAL A 34 6.453 2.065 46.751 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.992 1.834 44.821 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.949 0.340 45.787 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.062 0.430 44.247 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.959 3.255 44.629 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.027 1.850 44.060 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.459 2.786 45.463 1.00 0.00 H new ATOM 547 N GLY A 35 3.017 1.216 46.514 1.00 0.00 N ATOM 548 CA GLY A 35 1.853 1.729 47.230 1.00 0.00 C ATOM 549 C GLY A 35 1.357 0.718 48.257 1.00 0.00 C ATOM 550 O GLY A 35 0.825 1.092 49.303 1.00 0.00 O ATOM 0 H GLY A 35 2.909 1.177 45.501 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.111 2.663 47.729 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.056 1.955 46.522 1.00 0.00 H new ATOM 554 N LEU A 36 1.542 -0.563 47.958 1.00 0.00 N ATOM 555 CA LEU A 36 1.113 -1.619 48.871 1.00 0.00 C ATOM 556 C LEU A 36 1.511 -1.262 50.304 1.00 0.00 C ATOM 557 O LEU A 36 0.944 -1.780 51.252 1.00 0.00 O ATOM 558 CB LEU A 36 1.712 -2.991 48.438 1.00 0.00 C ATOM 559 CG LEU A 36 2.956 -3.370 49.279 1.00 0.00 C ATOM 560 CD1 LEU A 36 3.432 -4.781 48.907 1.00 0.00 C ATOM 561 CD2 LEU A 36 4.088 -2.340 49.039 1.00 0.00 C ATOM 0 H LEU A 36 1.982 -0.895 47.099 1.00 0.00 H new ATOM 0 HA LEU A 36 0.027 -1.707 48.832 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.954 -3.767 48.542 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.985 -2.951 47.384 1.00 0.00 H new ATOM 0 HG LEU A 36 2.689 -3.359 50.336 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.307 -5.039 49.503 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.635 -5.498 49.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.693 -4.810 47.849 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.960 -2.613 49.634 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.357 -2.334 47.983 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.745 -1.348 49.332 1.00 0.00 H new ATOM 573 N SER A 37 2.515 -0.409 50.448 1.00 0.00 N ATOM 574 CA SER A 37 3.001 -0.042 51.776 1.00 0.00 C ATOM 575 C SER A 37 1.842 0.182 52.750 1.00 0.00 C ATOM 576 O SER A 37 2.030 0.176 53.964 1.00 0.00 O ATOM 577 CB SER A 37 3.856 1.224 51.681 1.00 0.00 C ATOM 578 OG SER A 37 5.143 0.888 51.177 1.00 0.00 O ATOM 0 H SER A 37 3.006 0.039 49.674 1.00 0.00 H new ATOM 0 HA SER A 37 3.606 -0.865 52.157 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.376 1.952 51.027 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.948 1.689 52.663 1.00 0.00 H new ATOM 0 HG SER A 37 5.105 0.823 50.200 1.00 0.00 H new ATOM 584 N ALA A 38 0.651 0.386 52.211 1.00 0.00 N ATOM 585 CA ALA A 38 -0.514 0.618 53.054 1.00 0.00 C ATOM 586 C ALA A 38 -0.693 -0.516 54.066 1.00 0.00 C ATOM 587 O ALA A 38 -0.864 -0.273 55.260 1.00 0.00 O ATOM 588 CB ALA A 38 -1.764 0.733 52.179 1.00 0.00 C ATOM 0 H ALA A 38 0.465 0.396 51.208 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.363 1.547 53.605 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.635 0.907 52.810 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.647 1.565 51.485 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.901 -0.191 51.617 1.00 0.00 H new ATOM 594 N LEU A 39 -0.678 -1.751 53.560 1.00 0.00 N ATOM 595 CA LEU A 39 -0.864 -2.924 54.416 1.00 0.00 C ATOM 596 C LEU A 39 0.410 -3.243 55.213 1.00 0.00 C ATOM 597 O LEU A 39 0.391 -3.266 56.444 1.00 0.00 O ATOM 598 CB LEU A 39 -1.285 -4.159 53.575 1.00 0.00 C ATOM 599 CG LEU A 39 -0.559 -4.162 52.210 1.00 0.00 C ATOM 600 CD1 LEU A 39 -0.247 -5.595 51.766 1.00 0.00 C ATOM 601 CD2 LEU A 39 -1.434 -3.492 51.136 1.00 0.00 C ATOM 0 H LEU A 39 -0.540 -1.964 52.572 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.660 -2.689 55.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.050 -5.074 54.120 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.364 -4.149 53.419 1.00 0.00 H new ATOM 0 HG LEU A 39 0.372 -3.607 52.327 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.264 -5.575 50.803 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.393 -6.074 52.507 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.176 -6.157 51.672 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.909 -3.502 50.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.373 -4.037 51.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.641 -2.462 51.426 1.00 0.00 H new ATOM 613 N THR A 40 1.512 -3.515 54.508 1.00 0.00 N ATOM 614 CA THR A 40 2.766 -3.859 55.177 1.00 0.00 C ATOM 615 C THR A 40 3.454 -2.621 55.762 1.00 0.00 C ATOM 616 O THR A 40 3.834 -2.617 56.933 1.00 0.00 O ATOM 617 CB THR A 40 3.711 -4.517 54.159 1.00 0.00 C ATOM 618 OG1 THR A 40 2.970 -5.419 53.350 1.00 0.00 O ATOM 619 CG2 THR A 40 4.825 -5.293 54.885 1.00 0.00 C ATOM 0 H THR A 40 1.560 -3.504 53.489 1.00 0.00 H new ATOM 0 HA THR A 40 2.537 -4.541 55.996 1.00 0.00 H new ATOM 0 HB THR A 40 4.162 -3.740 53.542 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.568 -5.840 52.698 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.486 -5.753 54.151 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.398 -4.608 55.510 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.381 -6.068 55.509 1.00 0.00 H new ATOM 627 N GLY A 41 3.603 -1.574 54.950 1.00 0.00 N ATOM 628 CA GLY A 41 4.244 -0.344 55.414 1.00 0.00 C ATOM 629 C GLY A 41 5.710 -0.576 55.769 1.00 0.00 C ATOM 630 O GLY A 41 6.265 0.116 56.623 1.00 0.00 O ATOM 0 H GLY A 41 3.292 -1.552 53.979 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.173 0.419 54.639 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.713 0.037 56.286 1.00 0.00 H new ATOM 634 N TYR A 42 6.337 -1.555 55.108 1.00 0.00 N ATOM 635 CA TYR A 42 7.752 -1.871 55.356 1.00 0.00 C ATOM 636 C TYR A 42 8.527 -1.933 54.033 1.00 0.00 C ATOM 637 O TYR A 42 8.379 -2.883 53.264 1.00 0.00 O ATOM 638 CB TYR A 42 7.860 -3.225 56.112 1.00 0.00 C ATOM 639 CG TYR A 42 8.750 -3.079 57.337 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.054 -2.592 57.187 1.00 0.00 C ATOM 641 CD2 TYR A 42 8.271 -3.418 58.608 1.00 0.00 C ATOM 642 CE1 TYR A 42 10.879 -2.446 58.307 1.00 0.00 C ATOM 643 CE2 TYR A 42 9.097 -3.272 59.729 1.00 0.00 C ATOM 644 CZ TYR A 42 10.401 -2.786 59.579 1.00 0.00 C ATOM 645 OH TYR A 42 11.214 -2.641 60.684 1.00 0.00 O ATOM 0 H TYR A 42 5.892 -2.140 54.401 1.00 0.00 H new ATOM 0 HA TYR A 42 8.190 -1.084 55.971 1.00 0.00 H new ATOM 0 HB2 TYR A 42 6.868 -3.561 56.413 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.266 -3.988 55.448 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.423 -2.329 56.207 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.264 -3.792 58.724 1.00 0.00 H new ATOM 0 HE1 TYR A 42 11.885 -2.071 58.191 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.728 -3.534 60.709 1.00 0.00 H new ATOM 0 HH TYR A 42 10.727 -2.921 61.487 1.00 0.00 H new ATOM 655 N LEU A 43 9.348 -0.920 53.776 1.00 0.00 N ATOM 656 CA LEU A 43 10.138 -0.875 52.546 1.00 0.00 C ATOM 657 C LEU A 43 11.239 -1.936 52.571 1.00 0.00 C ATOM 658 O LEU A 43 12.158 -1.907 51.753 1.00 0.00 O ATOM 659 CB LEU A 43 10.766 0.520 52.385 1.00 0.00 C ATOM 660 CG LEU A 43 9.722 1.492 51.824 1.00 0.00 C ATOM 661 CD1 LEU A 43 8.542 1.598 52.794 1.00 0.00 C ATOM 662 CD2 LEU A 43 10.360 2.873 51.645 1.00 0.00 C ATOM 0 H LEU A 43 9.485 -0.123 54.397 1.00 0.00 H new ATOM 0 HA LEU A 43 9.479 -1.079 51.702 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.132 0.879 53.347 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.626 0.468 51.717 1.00 0.00 H new ATOM 0 HG LEU A 43 9.365 1.125 50.862 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.802 2.290 52.392 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.088 0.616 52.923 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.895 1.964 53.758 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.620 3.567 51.246 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.716 3.237 52.609 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.199 2.799 50.953 1.00 0.00 H new ATOM 674 N ASP A 44 11.142 -2.868 53.511 1.00 0.00 N ATOM 675 CA ASP A 44 12.139 -3.928 53.621 1.00 0.00 C ATOM 676 C ASP A 44 12.176 -4.761 52.341 1.00 0.00 C ATOM 677 O ASP A 44 13.248 -5.097 51.836 1.00 0.00 O ATOM 678 CB ASP A 44 11.807 -4.830 54.812 1.00 0.00 C ATOM 679 CG ASP A 44 10.510 -5.591 54.552 1.00 0.00 C ATOM 680 OD1 ASP A 44 9.660 -5.054 53.862 1.00 0.00 O ATOM 681 OD2 ASP A 44 10.390 -6.700 55.045 1.00 0.00 O ATOM 0 H ASP A 44 10.393 -2.913 54.201 1.00 0.00 H new ATOM 0 HA ASP A 44 13.117 -3.472 53.772 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.622 -5.534 54.983 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.710 -4.229 55.716 1.00 0.00 H new ATOM 686 N TYR A 45 10.992 -5.098 51.829 1.00 0.00 N ATOM 687 CA TYR A 45 10.878 -5.904 50.605 1.00 0.00 C ATOM 688 C TYR A 45 10.325 -5.073 49.450 1.00 0.00 C ATOM 689 O TYR A 45 9.395 -5.493 48.764 1.00 0.00 O ATOM 690 CB TYR A 45 9.967 -7.112 50.851 1.00 0.00 C ATOM 691 CG TYR A 45 9.917 -7.960 49.598 1.00 0.00 C ATOM 692 CD1 TYR A 45 11.045 -8.695 49.211 1.00 0.00 C ATOM 693 CD2 TYR A 45 8.749 -8.014 48.829 1.00 0.00 C ATOM 694 CE1 TYR A 45 11.004 -9.482 48.054 1.00 0.00 C ATOM 695 CE2 TYR A 45 8.709 -8.801 47.672 1.00 0.00 C ATOM 696 CZ TYR A 45 9.836 -9.535 47.284 1.00 0.00 C ATOM 697 OH TYR A 45 9.795 -10.310 46.144 1.00 0.00 O ATOM 0 H TYR A 45 10.098 -4.828 52.239 1.00 0.00 H new ATOM 0 HA TYR A 45 11.876 -6.250 50.336 1.00 0.00 H new ATOM 0 HB2 TYR A 45 10.342 -7.701 51.688 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.965 -6.778 51.119 1.00 0.00 H new ATOM 0 HD1 TYR A 45 11.946 -8.655 49.805 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.879 -7.449 49.128 1.00 0.00 H new ATOM 0 HE1 TYR A 45 11.874 -10.048 47.755 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.808 -8.842 47.078 1.00 0.00 H new ATOM 0 HH TYR A 45 8.910 -10.235 45.729 1.00 0.00 H new ATOM 707 N VAL A 46 10.892 -3.885 49.246 1.00 0.00 N ATOM 708 CA VAL A 46 10.444 -2.994 48.171 1.00 0.00 C ATOM 709 C VAL A 46 11.632 -2.525 47.330 1.00 0.00 C ATOM 710 O VAL A 46 11.480 -2.204 46.151 1.00 0.00 O ATOM 711 CB VAL A 46 9.715 -1.781 48.764 1.00 0.00 C ATOM 712 CG1 VAL A 46 9.408 -0.769 47.653 1.00 0.00 C ATOM 713 CG2 VAL A 46 8.405 -2.242 49.409 1.00 0.00 C ATOM 0 H VAL A 46 11.660 -3.516 49.807 1.00 0.00 H new ATOM 0 HA VAL A 46 9.759 -3.546 47.528 1.00 0.00 H new ATOM 0 HB VAL A 46 10.348 -1.310 49.516 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.890 0.091 48.077 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.340 -0.441 47.192 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.776 -1.237 46.899 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.885 -1.382 49.831 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.774 -2.713 48.655 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.622 -2.959 50.201 1.00 0.00 H new ATOM 723 N LEU A 47 12.816 -2.483 47.939 1.00 0.00 N ATOM 724 CA LEU A 47 14.023 -2.052 47.228 1.00 0.00 C ATOM 725 C LEU A 47 14.699 -3.242 46.549 1.00 0.00 C ATOM 726 O LEU A 47 15.178 -3.139 45.419 1.00 0.00 O ATOM 727 CB LEU A 47 14.987 -1.376 48.208 1.00 0.00 C ATOM 728 CG LEU A 47 16.110 -0.655 47.438 1.00 0.00 C ATOM 729 CD1 LEU A 47 15.611 0.692 46.893 1.00 0.00 C ATOM 730 CD2 LEU A 47 17.294 -0.408 48.377 1.00 0.00 C ATOM 0 H LEU A 47 12.967 -2.739 48.915 1.00 0.00 H new ATOM 0 HA LEU A 47 13.741 -1.336 46.456 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.445 -0.662 48.828 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.416 -2.120 48.879 1.00 0.00 H new ATOM 0 HG LEU A 47 16.419 -1.283 46.603 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.418 1.187 46.352 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.772 0.523 46.218 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.289 1.323 47.721 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.089 0.102 47.833 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.972 0.211 49.214 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.665 -1.361 48.753 1.00 0.00 H new ATOM 742 N LEU A 48 14.727 -4.373 47.244 1.00 0.00 N ATOM 743 CA LEU A 48 15.338 -5.582 46.699 1.00 0.00 C ATOM 744 C LEU A 48 14.606 -6.047 45.417 1.00 0.00 C ATOM 745 O LEU A 48 15.252 -6.312 44.404 1.00 0.00 O ATOM 746 CB LEU A 48 15.322 -6.708 47.767 1.00 0.00 C ATOM 747 CG LEU A 48 16.740 -7.240 48.037 1.00 0.00 C ATOM 748 CD1 LEU A 48 17.497 -6.258 48.936 1.00 0.00 C ATOM 749 CD2 LEU A 48 16.653 -8.607 48.730 1.00 0.00 C ATOM 0 H LEU A 48 14.337 -4.480 48.180 1.00 0.00 H new ATOM 0 HA LEU A 48 16.370 -5.355 46.432 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.891 -6.328 48.693 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.683 -7.524 47.429 1.00 0.00 H new ATOM 0 HG LEU A 48 17.271 -7.346 47.091 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.501 -6.638 49.125 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.563 -5.289 48.442 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.967 -6.148 49.882 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.658 -8.983 48.921 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.119 -8.503 49.675 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.120 -9.307 48.087 1.00 0.00 H new ATOM 761 N PRO A 49 13.289 -6.168 45.451 1.00 0.00 N ATOM 762 CA PRO A 49 12.487 -6.631 44.269 1.00 0.00 C ATOM 763 C PRO A 49 12.510 -5.632 43.109 1.00 0.00 C ATOM 764 O PRO A 49 12.140 -5.973 41.985 1.00 0.00 O ATOM 765 CB PRO A 49 11.056 -6.805 44.829 1.00 0.00 C ATOM 766 CG PRO A 49 10.993 -5.924 46.035 1.00 0.00 C ATOM 767 CD PRO A 49 12.411 -5.873 46.610 1.00 0.00 C ATOM 0 HA PRO A 49 12.894 -7.549 43.845 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.307 -6.516 44.091 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.860 -7.845 45.091 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.646 -4.926 45.768 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.291 -6.320 46.769 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.632 -4.895 47.037 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.544 -6.606 47.406 1.00 0.00 H new ATOM 775 N ALA A 50 12.942 -4.404 43.384 1.00 0.00 N ATOM 776 CA ALA A 50 13.005 -3.376 42.350 1.00 0.00 C ATOM 777 C ALA A 50 14.004 -3.768 41.264 1.00 0.00 C ATOM 778 O ALA A 50 13.788 -3.503 40.088 1.00 0.00 O ATOM 779 CB ALA A 50 13.415 -2.041 42.974 1.00 0.00 C ATOM 0 H ALA A 50 13.251 -4.098 44.307 1.00 0.00 H new ATOM 0 HA ALA A 50 12.019 -3.277 41.896 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.461 -1.276 42.199 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.682 -1.751 43.727 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.394 -2.143 43.441 1.00 0.00 H new ATOM 785 N LEU A 51 15.088 -4.409 41.674 1.00 0.00 N ATOM 786 CA LEU A 51 16.126 -4.846 40.740 1.00 0.00 C ATOM 787 C LEU A 51 15.525 -5.662 39.593 1.00 0.00 C ATOM 788 O LEU A 51 16.135 -5.793 38.532 1.00 0.00 O ATOM 789 CB LEU A 51 17.191 -5.683 41.462 1.00 0.00 C ATOM 790 CG LEU A 51 18.497 -5.711 40.638 1.00 0.00 C ATOM 791 CD1 LEU A 51 19.368 -4.494 40.980 1.00 0.00 C ATOM 792 CD2 LEU A 51 19.280 -6.992 40.954 1.00 0.00 C ATOM 0 H LEU A 51 15.276 -4.641 42.649 1.00 0.00 H new ATOM 0 HA LEU A 51 16.594 -3.952 40.328 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.385 -5.265 42.450 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.825 -6.699 41.612 1.00 0.00 H new ATOM 0 HG LEU A 51 18.241 -5.685 39.579 1.00 0.00 H new ATOM 0 HD11 LEU A 51 20.285 -4.526 40.392 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.822 -3.579 40.750 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.616 -4.511 42.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 20.201 -7.009 40.371 1.00 0.00 H new ATOM 0 HD22 LEU A 51 19.523 -7.017 42.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.674 -7.861 40.699 1.00 0.00 H new ATOM 804 N ALA A 52 14.337 -6.209 39.807 1.00 0.00 N ATOM 805 CA ALA A 52 13.681 -7.008 38.775 1.00 0.00 C ATOM 806 C ALA A 52 13.533 -6.219 37.469 1.00 0.00 C ATOM 807 O ALA A 52 13.698 -6.772 36.381 1.00 0.00 O ATOM 808 CB ALA A 52 12.297 -7.433 39.272 1.00 0.00 C ATOM 0 H ALA A 52 13.810 -6.117 40.675 1.00 0.00 H new ATOM 0 HA ALA A 52 14.298 -7.884 38.575 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.803 -8.030 38.506 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.403 -8.025 40.181 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.699 -6.547 39.484 1.00 0.00 H new ATOM 814 N ILE A 53 13.212 -4.935 37.584 1.00 0.00 N ATOM 815 CA ILE A 53 13.039 -4.092 36.399 1.00 0.00 C ATOM 816 C ILE A 53 14.384 -3.808 35.729 1.00 0.00 C ATOM 817 O ILE A 53 14.503 -3.848 34.503 1.00 0.00 O ATOM 818 CB ILE A 53 12.343 -2.777 36.785 1.00 0.00 C ATOM 819 CG1 ILE A 53 13.357 -1.815 37.439 1.00 0.00 C ATOM 820 CG2 ILE A 53 11.195 -3.078 37.766 1.00 0.00 C ATOM 821 CD1 ILE A 53 12.630 -0.697 38.203 1.00 0.00 C ATOM 0 H ILE A 53 13.067 -4.456 38.473 1.00 0.00 H new ATOM 0 HA ILE A 53 12.413 -4.627 35.684 1.00 0.00 H new ATOM 0 HB ILE A 53 11.940 -2.304 35.889 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.003 -2.368 38.121 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.000 -1.381 36.673 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.699 -2.148 38.042 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.476 -3.745 37.291 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.596 -3.554 38.660 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.363 -0.030 38.656 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.004 -0.132 37.512 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.007 -1.135 38.983 1.00 0.00 H new ATOM 833 N PHE A 54 15.391 -3.507 36.545 1.00 0.00 N ATOM 834 CA PHE A 54 16.725 -3.206 36.030 1.00 0.00 C ATOM 835 C PHE A 54 17.372 -4.439 35.402 1.00 0.00 C ATOM 836 O PHE A 54 17.873 -4.372 34.279 1.00 0.00 O ATOM 837 CB PHE A 54 17.612 -2.680 37.159 1.00 0.00 C ATOM 838 CG PHE A 54 17.187 -1.280 37.534 1.00 0.00 C ATOM 839 CD1 PHE A 54 17.591 -0.196 36.744 1.00 0.00 C ATOM 840 CD2 PHE A 54 16.395 -1.063 38.669 1.00 0.00 C ATOM 841 CE1 PHE A 54 17.205 1.104 37.090 1.00 0.00 C ATOM 842 CE2 PHE A 54 16.009 0.237 39.013 1.00 0.00 C ATOM 843 CZ PHE A 54 16.412 1.321 38.225 1.00 0.00 C ATOM 0 H PHE A 54 15.310 -3.465 37.561 1.00 0.00 H new ATOM 0 HA PHE A 54 16.622 -2.445 35.257 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.540 -3.336 38.026 1.00 0.00 H new ATOM 0 HB3 PHE A 54 18.656 -2.681 36.844 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.200 -0.363 35.868 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.083 -1.899 39.278 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.518 1.940 36.482 1.00 0.00 H new ATOM 0 HE2 PHE A 54 15.399 0.404 39.888 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.112 2.324 38.491 1.00 0.00 H new ATOM 853 N ILE A 55 17.365 -5.556 36.122 1.00 0.00 N ATOM 854 CA ILE A 55 17.969 -6.779 35.605 1.00 0.00 C ATOM 855 C ILE A 55 17.244 -7.227 34.336 1.00 0.00 C ATOM 856 O ILE A 55 17.876 -7.646 33.370 1.00 0.00 O ATOM 857 CB ILE A 55 17.920 -7.885 36.679 1.00 0.00 C ATOM 858 CG1 ILE A 55 18.884 -9.035 36.310 1.00 0.00 C ATOM 859 CG2 ILE A 55 16.491 -8.426 36.790 1.00 0.00 C ATOM 860 CD1 ILE A 55 20.307 -8.718 36.796 1.00 0.00 C ATOM 0 H ILE A 55 16.954 -5.640 37.052 1.00 0.00 H new ATOM 0 HA ILE A 55 19.012 -6.584 35.355 1.00 0.00 H new ATOM 0 HB ILE A 55 18.227 -7.463 37.636 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.538 -9.966 36.759 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.886 -9.184 35.230 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.456 -9.208 37.549 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.816 -7.617 37.071 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.183 -8.839 35.829 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.974 -9.538 36.528 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.656 -7.798 36.326 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.302 -8.593 37.879 1.00 0.00 H new ATOM 872 N GLY A 56 15.920 -7.134 34.356 1.00 0.00 N ATOM 873 CA GLY A 56 15.105 -7.526 33.206 1.00 0.00 C ATOM 874 C GLY A 56 15.346 -6.602 32.013 1.00 0.00 C ATOM 875 O GLY A 56 15.237 -7.015 30.860 1.00 0.00 O ATOM 0 H GLY A 56 15.385 -6.791 35.154 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.338 -8.553 32.926 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.050 -7.502 33.480 1.00 0.00 H new ATOM 879 N LEU A 57 15.653 -5.343 32.298 1.00 0.00 N ATOM 880 CA LEU A 57 15.892 -4.360 31.243 1.00 0.00 C ATOM 881 C LEU A 57 16.994 -4.833 30.291 1.00 0.00 C ATOM 882 O LEU A 57 16.974 -4.501 29.105 1.00 0.00 O ATOM 883 CB LEU A 57 16.301 -3.018 31.860 1.00 0.00 C ATOM 884 CG LEU A 57 16.227 -1.898 30.800 1.00 0.00 C ATOM 885 CD1 LEU A 57 14.810 -1.311 30.749 1.00 0.00 C ATOM 886 CD2 LEU A 57 17.215 -0.781 31.156 1.00 0.00 C ATOM 0 H LEU A 57 15.743 -4.977 33.246 1.00 0.00 H new ATOM 0 HA LEU A 57 14.967 -4.241 30.678 1.00 0.00 H new ATOM 0 HB2 LEU A 57 15.645 -2.780 32.697 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.314 -3.086 32.257 1.00 0.00 H new ATOM 0 HG LEU A 57 16.481 -2.321 29.828 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.770 -0.522 29.998 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.100 -2.096 30.489 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.552 -0.897 31.724 1.00 0.00 H new ATOM 0 HD21 LEU A 57 17.159 0.007 30.405 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.962 -0.370 32.133 1.00 0.00 H new ATOM 0 HD23 LEU A 57 18.227 -1.185 31.183 1.00 0.00 H new ATOM 898 N THR A 58 17.946 -5.603 30.807 1.00 0.00 N ATOM 899 CA THR A 58 19.040 -6.117 29.978 1.00 0.00 C ATOM 900 C THR A 58 18.509 -7.117 28.949 1.00 0.00 C ATOM 901 O THR A 58 19.017 -7.192 27.830 1.00 0.00 O ATOM 902 CB THR A 58 20.122 -6.754 30.871 1.00 0.00 C ATOM 903 OG1 THR A 58 21.379 -6.697 30.214 1.00 0.00 O ATOM 904 CG2 THR A 58 19.780 -8.217 31.187 1.00 0.00 C ATOM 0 H THR A 58 17.986 -5.885 31.786 1.00 0.00 H new ATOM 0 HA THR A 58 19.492 -5.289 29.432 1.00 0.00 H new ATOM 0 HB THR A 58 20.166 -6.196 31.806 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.065 -7.101 30.785 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.559 -8.644 31.819 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.824 -8.263 31.709 1.00 0.00 H new ATOM 0 HG23 THR A 58 19.714 -8.784 30.258 1.00 0.00 H new ATOM 912 N ILE A 59 17.493 -7.880 29.334 1.00 0.00 N ATOM 913 CA ILE A 59 16.904 -8.861 28.431 1.00 0.00 C ATOM 914 C ILE A 59 16.282 -8.158 27.220 1.00 0.00 C ATOM 915 O ILE A 59 16.385 -8.643 26.093 1.00 0.00 O ATOM 916 CB ILE A 59 15.849 -9.718 29.192 1.00 0.00 C ATOM 917 CG1 ILE A 59 16.475 -11.036 29.681 1.00 0.00 C ATOM 918 CG2 ILE A 59 14.648 -10.052 28.294 1.00 0.00 C ATOM 919 CD1 ILE A 59 17.524 -10.756 30.762 1.00 0.00 C ATOM 0 H ILE A 59 17.063 -7.839 30.258 1.00 0.00 H new ATOM 0 HA ILE A 59 17.684 -9.529 28.066 1.00 0.00 H new ATOM 0 HB ILE A 59 15.508 -9.128 30.043 1.00 0.00 H new ATOM 0 HG12 ILE A 59 15.699 -11.690 30.078 1.00 0.00 H new ATOM 0 HG13 ILE A 59 16.936 -11.560 28.844 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.930 -10.651 28.854 1.00 0.00 H new ATOM 0 HG22 ILE A 59 14.172 -9.128 27.965 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.989 -10.614 27.425 1.00 0.00 H new ATOM 0 HD11 ILE A 59 17.959 -11.697 31.099 1.00 0.00 H new ATOM 0 HD12 ILE A 59 18.308 -10.120 30.352 1.00 0.00 H new ATOM 0 HD13 ILE A 59 17.052 -10.252 31.605 1.00 0.00 H new ATOM 931 N TYR A 60 15.608 -7.040 27.468 1.00 0.00 N ATOM 932 CA TYR A 60 14.948 -6.317 26.389 1.00 0.00 C ATOM 933 C TYR A 60 15.884 -6.153 25.189 1.00 0.00 C ATOM 934 O TYR A 60 15.556 -6.581 24.085 1.00 0.00 O ATOM 935 CB TYR A 60 14.506 -4.930 26.890 1.00 0.00 C ATOM 936 CG TYR A 60 14.031 -4.085 25.725 1.00 0.00 C ATOM 937 CD1 TYR A 60 12.808 -4.374 25.108 1.00 0.00 C ATOM 938 CD2 TYR A 60 14.817 -3.025 25.259 1.00 0.00 C ATOM 939 CE1 TYR A 60 12.371 -3.602 24.023 1.00 0.00 C ATOM 940 CE2 TYR A 60 14.380 -2.254 24.176 1.00 0.00 C ATOM 941 CZ TYR A 60 13.157 -2.542 23.558 1.00 0.00 C ATOM 942 OH TYR A 60 12.729 -1.784 22.489 1.00 0.00 O ATOM 0 H TYR A 60 15.505 -6.620 28.392 1.00 0.00 H new ATOM 0 HA TYR A 60 14.077 -6.891 26.073 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.706 -5.037 27.622 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.336 -4.435 27.394 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.201 -5.192 25.468 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.760 -2.802 25.735 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.428 -3.825 23.546 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.987 -1.436 23.816 1.00 0.00 H new ATOM 0 HH TYR A 60 13.392 -1.089 22.295 1.00 0.00 H new ATOM 952 N ALA A 61 17.042 -5.543 25.404 1.00 0.00 N ATOM 953 CA ALA A 61 18.002 -5.337 24.322 1.00 0.00 C ATOM 954 C ALA A 61 18.415 -6.665 23.691 1.00 0.00 C ATOM 955 O ALA A 61 18.550 -6.756 22.471 1.00 0.00 O ATOM 956 CB ALA A 61 19.244 -4.628 24.868 1.00 0.00 C ATOM 0 H ALA A 61 17.340 -5.183 26.311 1.00 0.00 H new ATOM 0 HA ALA A 61 17.527 -4.724 23.556 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.960 -4.475 24.060 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.958 -3.663 25.287 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.700 -5.240 25.646 1.00 0.00 H new ATOM 962 N ILE A 62 18.616 -7.679 24.523 1.00 0.00 N ATOM 963 CA ILE A 62 19.023 -8.986 24.015 1.00 0.00 C ATOM 964 C ILE A 62 17.975 -9.536 23.043 1.00 0.00 C ATOM 965 O ILE A 62 18.312 -9.986 21.949 1.00 0.00 O ATOM 966 CB ILE A 62 19.213 -9.959 25.183 1.00 0.00 C ATOM 967 CG1 ILE A 62 20.430 -9.533 26.023 1.00 0.00 C ATOM 968 CG2 ILE A 62 19.444 -11.377 24.651 1.00 0.00 C ATOM 969 CD1 ILE A 62 20.454 -10.289 27.367 1.00 0.00 C ATOM 0 H ILE A 62 18.507 -7.626 25.536 1.00 0.00 H new ATOM 0 HA ILE A 62 19.966 -8.875 23.480 1.00 0.00 H new ATOM 0 HB ILE A 62 18.316 -9.944 25.802 1.00 0.00 H new ATOM 0 HG12 ILE A 62 21.348 -9.733 25.471 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.395 -8.459 26.204 1.00 0.00 H new ATOM 0 HG21 ILE A 62 19.578 -12.062 25.488 1.00 0.00 H new ATOM 0 HG22 ILE A 62 18.582 -11.689 24.061 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.336 -11.390 24.025 1.00 0.00 H new ATOM 0 HD11 ILE A 62 21.322 -9.974 27.946 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.545 -10.067 27.926 1.00 0.00 H new ATOM 0 HD13 ILE A 62 20.512 -11.361 27.180 1.00 0.00 H new ATOM 981 N GLN A 63 16.712 -9.511 23.453 1.00 0.00 N ATOM 982 CA GLN A 63 15.631 -10.021 22.610 1.00 0.00 C ATOM 983 C GLN A 63 15.421 -9.133 21.383 1.00 0.00 C ATOM 984 O GLN A 63 15.201 -9.621 20.275 1.00 0.00 O ATOM 985 CB GLN A 63 14.336 -10.087 23.423 1.00 0.00 C ATOM 986 CG GLN A 63 14.451 -11.178 24.488 1.00 0.00 C ATOM 987 CD GLN A 63 13.268 -11.101 25.452 1.00 0.00 C ATOM 988 OE1 GLN A 63 12.490 -10.053 25.432 1.00 0.00 O flip ATOM 989 NE2 GLN A 63 13.053 -12.016 26.248 1.00 0.00 N flip ATOM 0 H GLN A 63 16.410 -9.146 24.357 1.00 0.00 H new ATOM 0 HA GLN A 63 15.906 -11.018 22.267 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.142 -9.124 23.895 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.492 -10.295 22.765 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.479 -12.159 24.013 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.385 -11.063 25.037 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.662 -12.834 26.262 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.266 -11.956 26.894 1.00 0.00 H new ATOM 998 N ARG A 64 15.506 -7.826 21.596 1.00 0.00 N ATOM 999 CA ARG A 64 15.340 -6.844 20.528 1.00 0.00 C ATOM 1000 C ARG A 64 16.576 -6.799 19.629 1.00 0.00 C ATOM 1001 O ARG A 64 16.521 -6.276 18.515 1.00 0.00 O ATOM 1002 CB ARG A 64 15.036 -5.449 21.115 1.00 0.00 C ATOM 1003 CG ARG A 64 13.514 -5.226 21.179 1.00 0.00 C ATOM 1004 CD ARG A 64 12.841 -6.332 22.019 1.00 0.00 C ATOM 1005 NE ARG A 64 12.270 -7.347 21.140 1.00 0.00 N ATOM 1006 CZ ARG A 64 11.623 -8.396 21.637 1.00 0.00 C ATOM 1007 NH1 ARG A 64 11.487 -8.528 22.928 1.00 0.00 N ATOM 1008 NH2 ARG A 64 11.124 -9.293 20.832 1.00 0.00 N ATOM 0 H ARG A 64 15.691 -7.416 22.511 1.00 0.00 H new ATOM 0 HA ARG A 64 14.492 -7.149 19.915 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.467 -5.363 22.113 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.500 -4.678 20.500 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.301 -4.250 21.615 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.098 -5.222 20.171 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.571 -6.787 22.688 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.060 -5.900 22.645 1.00 0.00 H new ATOM 0 HE ARG A 64 12.369 -7.250 20.129 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.877 -7.826 23.556 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.990 -9.333 23.309 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.231 -9.189 19.823 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.627 -10.099 21.212 1.00 0.00 H new ATOM 1022 N LYS A 65 17.701 -7.297 20.130 1.00 0.00 N ATOM 1023 CA LYS A 65 18.944 -7.238 19.369 1.00 0.00 C ATOM 1024 C LYS A 65 18.720 -7.706 17.930 1.00 0.00 C ATOM 1025 O LYS A 65 19.132 -7.023 16.992 1.00 0.00 O ATOM 1026 CB LYS A 65 19.989 -8.161 20.026 1.00 0.00 C ATOM 1027 CG LYS A 65 21.413 -7.722 19.630 1.00 0.00 C ATOM 1028 CD LYS A 65 21.928 -6.671 20.618 1.00 0.00 C ATOM 1029 CE LYS A 65 23.368 -6.295 20.268 1.00 0.00 C ATOM 1030 NZ LYS A 65 23.386 -5.537 18.985 1.00 0.00 N ATOM 0 H LYS A 65 17.779 -7.740 21.046 1.00 0.00 H new ATOM 0 HA LYS A 65 19.294 -6.206 19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.880 -8.132 21.110 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.819 -9.192 19.716 1.00 0.00 H new ATOM 0 HG2 LYS A 65 22.080 -8.584 19.622 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.409 -7.313 18.620 1.00 0.00 H new ATOM 0 HD2 LYS A 65 21.293 -5.786 20.586 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.881 -7.060 21.635 1.00 0.00 H new ATOM 0 HE2 LYS A 65 23.802 -5.691 21.065 1.00 0.00 H new ATOM 0 HE3 LYS A 65 23.979 -7.194 20.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 24.313 -5.080 18.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 23.217 -6.190 18.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.641 -4.811 19.000 1.00 0.00 H new ATOM 1044 N ARG A 66 18.060 -8.843 17.739 1.00 0.00 N ATOM 1045 CA ARG A 66 17.794 -9.327 16.391 1.00 0.00 C ATOM 1046 C ARG A 66 16.692 -8.492 15.744 1.00 0.00 C ATOM 1047 O ARG A 66 16.805 -8.082 14.588 1.00 0.00 O ATOM 1048 CB ARG A 66 17.349 -10.792 16.448 1.00 0.00 C ATOM 1049 CG ARG A 66 17.324 -11.375 15.032 1.00 0.00 C ATOM 1050 CD ARG A 66 16.563 -12.707 15.035 1.00 0.00 C ATOM 1051 NE ARG A 66 16.621 -13.334 13.715 1.00 0.00 N ATOM 1052 CZ ARG A 66 16.015 -12.787 12.666 1.00 0.00 C ATOM 1053 NH1 ARG A 66 15.353 -11.671 12.805 1.00 0.00 N ATOM 1054 NH2 ARG A 66 16.081 -13.366 11.500 1.00 0.00 N ATOM 0 H ARG A 66 17.705 -9.438 18.488 1.00 0.00 H new ATOM 0 HA ARG A 66 18.705 -9.243 15.799 1.00 0.00 H new ATOM 0 HB2 ARG A 66 18.030 -11.366 17.077 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.360 -10.865 16.900 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.846 -10.674 14.348 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.342 -11.527 14.673 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.992 -13.376 15.781 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.524 -12.538 15.318 1.00 0.00 H new ATOM 0 HE ARG A 66 17.136 -14.207 13.597 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.301 -11.219 13.718 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.888 -11.250 12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.598 -14.239 11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.616 -12.946 10.695 1.00 0.00 H new ATOM 1068 N GLN A 67 15.618 -8.267 16.496 1.00 0.00 N ATOM 1069 CA GLN A 67 14.483 -7.504 15.986 1.00 0.00 C ATOM 1070 C GLN A 67 14.947 -6.150 15.455 1.00 0.00 C ATOM 1071 O GLN A 67 14.403 -5.643 14.475 1.00 0.00 O ATOM 1072 CB GLN A 67 13.455 -7.276 17.097 1.00 0.00 C ATOM 1073 CG GLN A 67 12.133 -6.807 16.487 1.00 0.00 C ATOM 1074 CD GLN A 67 11.098 -6.594 17.587 1.00 0.00 C ATOM 1075 OE1 GLN A 67 11.352 -5.757 18.555 1.00 0.00 O flip ATOM 1076 NE2 GLN A 67 10.030 -7.206 17.562 1.00 0.00 N flip ATOM 0 H GLN A 67 15.510 -8.600 17.454 1.00 0.00 H new ATOM 0 HA GLN A 67 14.027 -8.075 15.177 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.301 -8.198 17.658 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.826 -6.532 17.802 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.286 -5.879 15.936 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.770 -7.546 15.773 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.834 -7.860 16.804 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.341 -7.059 18.299 1.00 0.00 H new ATOM 1085 N ALA A 68 15.966 -5.582 16.089 1.00 0.00 N ATOM 1086 CA ALA A 68 16.489 -4.294 15.651 1.00 0.00 C ATOM 1087 C ALA A 68 16.807 -4.335 14.161 1.00 0.00 C ATOM 1088 O ALA A 68 16.380 -3.478 13.397 1.00 0.00 O ATOM 1089 CB ALA A 68 17.757 -3.962 16.441 1.00 0.00 C ATOM 0 H ALA A 68 16.441 -5.986 16.896 1.00 0.00 H new ATOM 0 HA ALA A 68 15.737 -3.525 15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.148 -2.999 16.113 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.522 -3.915 17.504 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.506 -4.735 16.269 1.00 0.00 H new ATOM 1095 N ASP A 69 17.550 -5.356 13.765 1.00 0.00 N ATOM 1096 CA ASP A 69 17.917 -5.532 12.366 1.00 0.00 C ATOM 1097 C ASP A 69 16.675 -5.767 11.509 1.00 0.00 C ATOM 1098 O ASP A 69 16.639 -5.383 10.340 1.00 0.00 O ATOM 1099 CB ASP A 69 18.869 -6.720 12.210 1.00 0.00 C ATOM 1100 CG ASP A 69 19.979 -6.640 13.252 1.00 0.00 C ATOM 1101 OD1 ASP A 69 19.667 -6.392 14.404 1.00 0.00 O ATOM 1102 OD2 ASP A 69 21.127 -6.830 12.883 1.00 0.00 O ATOM 0 H ASP A 69 17.911 -6.076 14.391 1.00 0.00 H new ATOM 0 HA ASP A 69 18.415 -4.622 12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.319 -7.654 12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.299 -6.723 11.208 1.00 0.00 H new ATOM 1107 N ALA A 70 15.664 -6.401 12.093 1.00 0.00 N ATOM 1108 CA ALA A 70 14.427 -6.677 11.366 1.00 0.00 C ATOM 1109 C ALA A 70 13.644 -5.390 11.097 1.00 0.00 C ATOM 1110 O ALA A 70 13.136 -5.181 9.996 1.00 0.00 O ATOM 1111 CB ALA A 70 13.561 -7.648 12.175 1.00 0.00 C ATOM 0 H ALA A 70 15.674 -6.731 13.058 1.00 0.00 H new ATOM 0 HA ALA A 70 14.687 -7.124 10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.639 -7.853 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 70 14.106 -8.579 12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.322 -7.204 13.141 1.00 0.00 H new ATOM 1117 N SER A 71 13.541 -4.537 12.115 1.00 0.00 N ATOM 1118 CA SER A 71 12.804 -3.276 11.987 1.00 0.00 C ATOM 1119 C SER A 71 13.693 -2.166 11.427 1.00 0.00 C ATOM 1120 O SER A 71 13.239 -1.327 10.651 1.00 0.00 O ATOM 1121 CB SER A 71 12.262 -2.855 13.353 1.00 0.00 C ATOM 1122 OG SER A 71 11.312 -3.816 13.795 1.00 0.00 O ATOM 0 H SER A 71 13.955 -4.693 13.034 1.00 0.00 H new ATOM 0 HA SER A 71 11.979 -3.436 11.293 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.077 -2.774 14.072 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.798 -1.871 13.286 1.00 0.00 H new ATOM 0 HG SER A 71 10.963 -3.551 14.672 1.00 0.00 H new ATOM 1128 N SER A 72 14.957 -2.167 11.832 1.00 0.00 N ATOM 1129 CA SER A 72 15.903 -1.151 11.375 1.00 0.00 C ATOM 1130 C SER A 72 16.265 -1.365 9.910 1.00 0.00 C ATOM 1131 O SER A 72 16.940 -0.534 9.304 1.00 0.00 O ATOM 1132 CB SER A 72 17.174 -1.196 12.222 1.00 0.00 C ATOM 1133 OG SER A 72 17.934 -2.346 11.868 1.00 0.00 O ATOM 0 H SER A 72 15.351 -2.856 12.473 1.00 0.00 H new ATOM 0 HA SER A 72 15.427 -0.176 11.481 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.763 -0.293 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.918 -1.227 13.281 1.00 0.00 H new ATOM 0 HG SER A 72 17.382 -3.149 11.974 1.00 0.00 H new ATOM 1139 N THR A 73 15.814 -2.484 9.342 1.00 0.00 N ATOM 1140 CA THR A 73 16.101 -2.795 7.936 1.00 0.00 C ATOM 1141 C THR A 73 14.814 -3.153 7.177 1.00 0.00 C ATOM 1142 O THR A 73 14.342 -4.280 7.294 1.00 0.00 O ATOM 1143 CB THR A 73 17.076 -3.979 7.853 1.00 0.00 C ATOM 1144 OG1 THR A 73 18.083 -3.826 8.844 1.00 0.00 O ATOM 1145 CG2 THR A 73 17.726 -4.003 6.465 1.00 0.00 C ATOM 0 H THR A 73 15.254 -3.186 9.826 1.00 0.00 H new ATOM 0 HA THR A 73 16.546 -1.911 7.479 1.00 0.00 H new ATOM 0 HB THR A 73 16.538 -4.912 8.020 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.738 -4.129 9.710 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.419 -4.842 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.954 -4.112 5.703 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.268 -3.072 6.301 1.00 0.00 H new ATOM 1153 N PRO A 74 14.253 -2.226 6.405 1.00 0.00 N ATOM 1154 CA PRO A 74 13.006 -2.471 5.588 1.00 0.00 C ATOM 1155 C PRO A 74 13.166 -3.630 4.584 1.00 0.00 C ATOM 1156 O PRO A 74 12.780 -3.510 3.422 1.00 0.00 O ATOM 1157 CB PRO A 74 12.785 -1.137 4.832 1.00 0.00 C ATOM 1158 CG PRO A 74 13.550 -0.105 5.594 1.00 0.00 C ATOM 1159 CD PRO A 74 14.722 -0.833 6.250 1.00 0.00 C ATOM 0 HA PRO A 74 12.170 -2.760 6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.140 -1.207 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.726 -0.884 4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.905 0.684 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.919 0.370 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 74 15.617 -0.782 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.975 -0.390 7.213 1.00 0.00 H new ATOM 1167 N LYS A 75 13.740 -4.733 5.040 1.00 0.00 N ATOM 1168 CA LYS A 75 13.954 -5.897 4.189 1.00 0.00 C ATOM 1169 C LYS A 75 12.619 -6.488 3.752 1.00 0.00 C ATOM 1170 O LYS A 75 12.513 -7.097 2.688 1.00 0.00 O ATOM 1171 CB LYS A 75 14.754 -6.954 4.950 1.00 0.00 C ATOM 1172 CG LYS A 75 15.185 -8.060 3.983 1.00 0.00 C ATOM 1173 CD LYS A 75 15.942 -9.144 4.752 1.00 0.00 C ATOM 1174 CE LYS A 75 16.283 -10.294 3.805 1.00 0.00 C ATOM 1175 NZ LYS A 75 16.920 -11.399 4.578 1.00 0.00 N ATOM 0 H LYS A 75 14.068 -4.848 5.999 1.00 0.00 H new ATOM 0 HA LYS A 75 14.510 -5.585 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.630 -6.499 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.150 -7.374 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.311 -8.490 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.819 -7.646 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.854 -8.730 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.335 -9.509 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.380 -10.654 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.957 -9.947 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.153 -12.183 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.790 -11.051 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.262 -11.735 5.310 1.00 0.00 H new ATOM 1189 N PHE A 76 11.602 -6.309 4.588 1.00 0.00 N ATOM 1190 CA PHE A 76 10.278 -6.834 4.286 1.00 0.00 C ATOM 1191 C PHE A 76 9.757 -6.251 2.976 1.00 0.00 C ATOM 1192 O PHE A 76 9.103 -6.943 2.196 1.00 0.00 O ATOM 1193 CB PHE A 76 9.312 -6.492 5.422 1.00 0.00 C ATOM 1194 CG PHE A 76 9.685 -7.281 6.653 1.00 0.00 C ATOM 1195 CD1 PHE A 76 10.612 -6.762 7.565 1.00 0.00 C ATOM 1196 CD2 PHE A 76 9.105 -8.535 6.883 1.00 0.00 C ATOM 1197 CE1 PHE A 76 10.960 -7.495 8.705 1.00 0.00 C ATOM 1198 CE2 PHE A 76 9.454 -9.268 8.024 1.00 0.00 C ATOM 1199 CZ PHE A 76 10.380 -8.749 8.935 1.00 0.00 C ATOM 0 H PHE A 76 11.669 -5.808 5.474 1.00 0.00 H new ATOM 0 HA PHE A 76 10.349 -7.917 4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.349 -5.424 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.289 -6.722 5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.059 -5.795 7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.389 -8.936 6.181 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.676 -7.094 9.407 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.008 -10.235 8.201 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.648 -9.315 9.815 1.00 0.00 H new ATOM 1209 N ASN A 77 10.048 -4.975 2.738 1.00 0.00 N ATOM 1210 CA ASN A 77 9.596 -4.318 1.515 1.00 0.00 C ATOM 1211 C ASN A 77 10.166 -5.021 0.284 1.00 0.00 C ATOM 1212 O ASN A 77 9.452 -5.246 -0.694 1.00 0.00 O ATOM 1213 CB ASN A 77 10.050 -2.854 1.517 1.00 0.00 C ATOM 1214 CG ASN A 77 9.168 -2.027 2.446 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.655 -1.594 3.577 1.00 0.00 O flip ATOM 1216 ND2 ASN A 77 8.006 -1.768 2.134 1.00 0.00 N flip ATOM 0 H ASN A 77 10.588 -4.381 3.367 1.00 0.00 H new ATOM 0 HA ASN A 77 8.508 -4.368 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.090 -2.789 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.003 -2.450 0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.628 -2.107 1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.421 -1.214 2.760 1.00 0.00 H new ATOM 1223 N GLY A 78 11.449 -5.371 0.339 1.00 0.00 N ATOM 1224 CA GLY A 78 12.093 -6.048 -0.781 1.00 0.00 C ATOM 1225 C GLY A 78 11.382 -7.353 -1.104 1.00 0.00 C ATOM 1226 O GLY A 78 11.159 -7.678 -2.270 1.00 0.00 O ATOM 0 H GLY A 78 12.057 -5.199 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.087 -5.399 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.137 -6.247 -0.540 1.00 0.00 H new ATOM 1230 N VAL A 79 11.020 -8.091 -0.064 1.00 0.00 N ATOM 1231 CA VAL A 79 10.328 -9.360 -0.242 1.00 0.00 C ATOM 1232 C VAL A 79 8.999 -9.127 -0.951 1.00 0.00 C ATOM 1233 O VAL A 79 8.602 -9.904 -1.819 1.00 0.00 O ATOM 1234 CB VAL A 79 10.084 -10.027 1.117 1.00 0.00 C ATOM 1235 CG1 VAL A 79 9.409 -11.389 0.915 1.00 0.00 C ATOM 1236 CG2 VAL A 79 11.423 -10.229 1.830 1.00 0.00 C ATOM 0 H VAL A 79 11.193 -7.835 0.908 1.00 0.00 H new ATOM 0 HA VAL A 79 10.949 -10.018 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 79 9.437 -9.389 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.238 -11.858 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.455 -11.250 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.053 -12.028 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.253 -10.703 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.067 -10.865 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.905 -9.263 1.980 1.00 0.00 H new ATOM 1246 N LYS A 80 8.308 -8.060 -0.561 1.00 0.00 N ATOM 1247 CA LYS A 80 7.020 -7.729 -1.155 1.00 0.00 C ATOM 1248 C LYS A 80 7.187 -7.361 -2.625 1.00 0.00 C ATOM 1249 O LYS A 80 6.344 -7.691 -3.459 1.00 0.00 O ATOM 1250 CB LYS A 80 6.378 -6.564 -0.389 1.00 0.00 C ATOM 1251 CG LYS A 80 6.120 -6.977 1.076 1.00 0.00 C ATOM 1252 CD LYS A 80 4.760 -7.676 1.201 1.00 0.00 C ATOM 1253 CE LYS A 80 4.672 -8.392 2.549 1.00 0.00 C ATOM 1254 NZ LYS A 80 5.538 -9.603 2.526 1.00 0.00 N ATOM 0 H LYS A 80 8.619 -7.412 0.163 1.00 0.00 H new ATOM 0 HA LYS A 80 6.370 -8.602 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.032 -5.692 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.441 -6.277 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.912 -7.644 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.145 -6.097 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.955 -6.946 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.632 -8.392 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.986 -7.722 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.640 -8.674 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.236 -10.260 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.456 -10.071 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.527 -9.326 2.688 1.00 0.00 H new ATOM 1268 N LYS A 81 8.278 -6.667 -2.936 1.00 0.00 N ATOM 1269 CA LYS A 81 8.545 -6.253 -4.308 1.00 0.00 C ATOM 1270 C LYS A 81 8.832 -7.467 -5.188 1.00 0.00 C ATOM 1271 O LYS A 81 9.995 -7.730 -5.443 1.00 0.00 O ATOM 1272 CB LYS A 81 9.747 -5.306 -4.338 1.00 0.00 C ATOM 1273 CG LYS A 81 9.818 -4.600 -5.696 1.00 0.00 C ATOM 1274 CD LYS A 81 10.990 -3.598 -5.712 1.00 0.00 C ATOM 1275 CE LYS A 81 12.337 -4.345 -5.726 1.00 0.00 C ATOM 1276 NZ LYS A 81 12.286 -5.458 -6.716 1.00 0.00 N ATOM 1277 OXT LYS A 81 7.883 -8.116 -5.598 1.00 0.00 O ATOM 0 H LYS A 81 8.987 -6.381 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 81 7.664 -5.740 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.661 -4.570 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.666 -5.864 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.947 -5.335 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.881 -4.079 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.915 -2.955 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.935 -2.951 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.143 -3.656 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.556 -4.739 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.254 -5.726 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.805 -6.277 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.764 -5.148 -7.560 1.00 0.00 H new