USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 570 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 83 SER OG : rot 179:sc= -3.76! USER MOD Set 1.2: A 93 LYS NZ :NH3+ 147:sc= -5.44! (180deg=-8.16!) USER MOD Set 2.1: A 88 TYR OH : rot 30:sc= 0.229 USER MOD Set 2.2: A 92 GLN : amide:sc= -0.535 X(o=-0.31,f=-0.077) USER MOD Set 3.1: A 47 TYR OH : rot 30:sc= -0.558 USER MOD Set 3.2: A 79 HIS : no HD1:sc= -0.709 X(o=-1.3,f=-1.4) USER MOD Set 4.1: A 3 HIS :FLIP no HE2:sc= 0.0327 F(o=-0.79,f=-0.15) USER MOD Set 4.2: A 13 SER OG : rot 180:sc= -0.185 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -99:sc= 0.87 USER MOD Single : A 16 MET CE :methyl -161:sc= -0.223 (180deg=-0.527) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.0035) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -178:sc= -2.21! USER MOD Single : A 34 ASN : amide:sc= -1.02 K(o=-1,f=-2.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 46 THR OG1 : rot 58:sc= -0.233! USER MOD Single : A 50 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= 0.846 F(o=-1.2,f=0.85) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.1! USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 176:sc= 0.357 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00463 USER MOD Single : A 84 THR OG1 : rot 180:sc= -2! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.95 X(o=-2,f=-1.5) USER MOD Single : A 90 GLN : amide:sc=-0.00082 X(o=-0.00082,f=-0.37) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -168:sc= -0.394! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 48.208 6.691 -40.010 1.00 0.00 N ATOM 32 CA HIS A 3 47.322 5.802 -39.268 1.00 0.00 C ATOM 33 C HIS A 3 47.447 6.048 -37.769 1.00 0.00 C ATOM 34 O HIS A 3 48.543 6.290 -37.261 1.00 0.00 O ATOM 35 CB HIS A 3 47.652 4.342 -39.584 1.00 0.00 C ATOM 36 CG HIS A 3 46.626 3.665 -40.439 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.417 3.142 -40.125 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 46.792 3.458 -41.793 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 44.881 2.633 -41.283 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 45.730 2.837 -42.274 1.00 0.00 N flip ATOM 0 HA HIS A 3 46.296 6.010 -39.572 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.618 4.298 -40.087 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.754 3.791 -38.649 1.00 0.00 H new ATOM 0 HD1 HIS A 3 44.985 3.128 -39.201 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.655 3.757 -42.369 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.921 2.145 -41.369 1.00 0.00 H new ATOM 49 N CYS A 4 46.324 5.981 -37.062 1.00 0.00 N ATOM 50 CA CYS A 4 46.322 6.195 -35.619 1.00 0.00 C ATOM 51 C CYS A 4 45.910 4.922 -34.888 1.00 0.00 C ATOM 52 O CYS A 4 45.258 4.052 -35.462 1.00 0.00 O ATOM 53 CB CYS A 4 45.386 7.347 -35.246 1.00 0.00 C ATOM 54 SG CYS A 4 43.995 7.592 -36.403 1.00 0.00 S ATOM 0 H CYS A 4 45.407 5.781 -37.462 1.00 0.00 H new ATOM 0 HA CYS A 4 47.335 6.458 -35.313 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.986 7.166 -34.249 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.966 8.268 -35.194 1.00 0.00 H new ATOM 59 N VAL A 5 46.300 4.817 -33.622 1.00 0.00 N ATOM 60 CA VAL A 5 45.972 3.643 -32.822 1.00 0.00 C ATOM 61 C VAL A 5 46.473 3.791 -31.389 1.00 0.00 C ATOM 62 O VAL A 5 47.512 4.403 -31.142 1.00 0.00 O ATOM 63 CB VAL A 5 46.570 2.364 -33.437 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.090 2.406 -33.390 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.043 1.128 -32.724 1.00 0.00 C ATOM 0 H VAL A 5 46.841 5.528 -33.130 1.00 0.00 H new ATOM 0 HA VAL A 5 44.885 3.560 -32.812 1.00 0.00 H new ATOM 0 HB VAL A 5 46.263 2.311 -34.481 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.493 1.493 -33.829 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.448 3.268 -33.953 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.420 2.487 -32.354 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.478 0.235 -33.174 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.315 1.172 -31.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.958 1.089 -32.817 1.00 0.00 H new ATOM 75 N THR A 6 45.724 3.227 -30.448 1.00 0.00 N ATOM 76 CA THR A 6 46.086 3.294 -29.038 1.00 0.00 C ATOM 77 C THR A 6 46.683 1.976 -28.560 1.00 0.00 C ATOM 78 O THR A 6 47.075 1.131 -29.365 1.00 0.00 O ATOM 79 CB THR A 6 44.867 3.639 -28.163 1.00 0.00 C ATOM 80 OG1 THR A 6 43.966 2.526 -28.118 1.00 0.00 O ATOM 81 CG2 THR A 6 44.143 4.863 -28.702 1.00 0.00 C ATOM 0 H THR A 6 44.861 2.717 -30.637 1.00 0.00 H new ATOM 0 HA THR A 6 46.831 4.083 -28.940 1.00 0.00 H new ATOM 0 HB THR A 6 45.221 3.861 -27.156 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.194 2.752 -27.558 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.286 5.087 -28.067 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.823 5.715 -28.708 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.801 4.665 -29.718 1.00 0.00 H new ATOM 89 N ASP A 7 46.748 1.807 -27.243 1.00 0.00 N ATOM 90 CA ASP A 7 47.298 0.591 -26.654 1.00 0.00 C ATOM 91 C ASP A 7 46.230 -0.495 -26.540 1.00 0.00 C ATOM 92 O ASP A 7 46.495 -1.589 -26.044 1.00 0.00 O ATOM 93 CB ASP A 7 47.883 0.891 -25.273 1.00 0.00 C ATOM 94 CG ASP A 7 49.394 1.021 -25.302 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.018 0.486 -26.241 1.00 0.00 O ATOM 96 OD2 ASP A 7 49.951 1.659 -24.383 1.00 0.00 O ATOM 0 H ASP A 7 46.427 2.497 -26.564 1.00 0.00 H new ATOM 0 HA ASP A 7 48.090 0.227 -27.309 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.449 1.814 -24.890 1.00 0.00 H new ATOM 0 HB3 ASP A 7 47.602 0.096 -24.582 1.00 0.00 H new ATOM 101 N SER A 8 45.021 -0.185 -27.001 1.00 0.00 N ATOM 102 CA SER A 8 43.916 -1.136 -26.948 1.00 0.00 C ATOM 103 C SER A 8 43.894 -2.018 -28.193 1.00 0.00 C ATOM 104 O SER A 8 43.459 -3.168 -28.145 1.00 0.00 O ATOM 105 CB SER A 8 42.585 -0.394 -26.812 1.00 0.00 C ATOM 106 OG SER A 8 42.249 -0.194 -25.450 1.00 0.00 O ATOM 0 H SER A 8 44.783 0.716 -27.415 1.00 0.00 H new ATOM 0 HA SER A 8 44.061 -1.774 -26.076 1.00 0.00 H new ATOM 0 HB2 SER A 8 42.648 0.569 -27.319 1.00 0.00 H new ATOM 0 HB3 SER A 8 41.796 -0.963 -27.305 1.00 0.00 H new ATOM 0 HG SER A 8 41.395 0.284 -25.390 1.00 0.00 H new ATOM 112 N GLY A 9 44.368 -1.469 -29.308 1.00 0.00 N ATOM 113 CA GLY A 9 44.395 -2.219 -30.551 1.00 0.00 C ATOM 114 C GLY A 9 43.527 -1.593 -31.627 1.00 0.00 C ATOM 115 O GLY A 9 43.404 -2.135 -32.725 1.00 0.00 O ATOM 0 H GLY A 9 44.734 -0.519 -29.373 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.422 -2.284 -30.910 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.057 -3.238 -30.364 1.00 0.00 H new ATOM 119 N VAL A 10 42.927 -0.451 -31.311 1.00 0.00 N ATOM 120 CA VAL A 10 42.068 0.248 -32.261 1.00 0.00 C ATOM 121 C VAL A 10 42.896 0.977 -33.313 1.00 0.00 C ATOM 122 O VAL A 10 43.472 2.030 -33.042 1.00 0.00 O ATOM 123 CB VAL A 10 41.155 1.264 -31.550 1.00 0.00 C ATOM 124 CG1 VAL A 10 39.865 1.460 -32.331 1.00 0.00 C ATOM 125 CG2 VAL A 10 40.865 0.812 -30.126 1.00 0.00 C ATOM 0 H VAL A 10 43.019 0.010 -30.406 1.00 0.00 H new ATOM 0 HA VAL A 10 41.450 -0.508 -32.746 1.00 0.00 H new ATOM 0 HB VAL A 10 41.671 2.223 -31.504 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.232 2.181 -31.814 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.097 1.831 -33.329 1.00 0.00 H new ATOM 0 HG13 VAL A 10 39.340 0.508 -32.411 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.219 1.541 -29.637 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.368 -0.158 -30.146 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.801 0.729 -29.573 1.00 0.00 H new ATOM 135 N VAL A 11 42.957 0.406 -34.511 1.00 0.00 N ATOM 136 CA VAL A 11 43.721 0.999 -35.601 1.00 0.00 C ATOM 137 C VAL A 11 42.946 2.121 -36.285 1.00 0.00 C ATOM 138 O VAL A 11 42.353 1.921 -37.345 1.00 0.00 O ATOM 139 CB VAL A 11 44.107 -0.055 -36.656 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.681 0.614 -37.896 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.096 -1.054 -36.074 1.00 0.00 C ATOM 0 H VAL A 11 42.487 -0.467 -34.751 1.00 0.00 H new ATOM 0 HA VAL A 11 44.626 1.411 -35.155 1.00 0.00 H new ATOM 0 HB VAL A 11 43.207 -0.596 -36.948 1.00 0.00 H new ATOM 0 HG11 VAL A 11 44.948 -0.147 -38.630 1.00 0.00 H new ATOM 0 HG12 VAL A 11 43.937 1.286 -38.324 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.570 1.183 -37.624 1.00 0.00 H new ATOM 0 HG21 VAL A 11 45.358 -1.791 -36.833 1.00 0.00 H new ATOM 0 HG22 VAL A 11 45.996 -0.530 -35.752 1.00 0.00 H new ATOM 0 HG23 VAL A 11 44.644 -1.558 -35.220 1.00 0.00 H new ATOM 151 N TYR A 12 42.968 3.302 -35.679 1.00 0.00 N ATOM 152 CA TYR A 12 42.280 4.459 -36.238 1.00 0.00 C ATOM 153 C TYR A 12 43.023 4.974 -37.464 1.00 0.00 C ATOM 154 O TYR A 12 44.103 4.484 -37.795 1.00 0.00 O ATOM 155 CB TYR A 12 42.172 5.574 -35.195 1.00 0.00 C ATOM 156 CG TYR A 12 41.326 5.212 -33.997 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.940 5.213 -34.074 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.917 4.870 -32.788 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.164 4.884 -32.979 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.149 4.538 -31.688 1.00 0.00 C ATOM 161 CZ TYR A 12 39.774 4.546 -31.788 1.00 0.00 C ATOM 162 OH TYR A 12 39.005 4.218 -30.695 1.00 0.00 O ATOM 0 H TYR A 12 43.454 3.484 -34.801 1.00 0.00 H new ATOM 0 HA TYR A 12 41.276 4.151 -36.532 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.173 5.837 -34.854 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.753 6.462 -35.669 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.460 5.475 -35.005 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.994 4.863 -32.706 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.087 4.891 -33.055 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.624 4.274 -30.755 1.00 0.00 H new ATOM 0 HH TYR A 12 38.927 4.996 -30.104 1.00 0.00 H new ATOM 172 N SER A 13 42.445 5.962 -38.132 1.00 0.00 N ATOM 173 CA SER A 13 43.064 6.539 -39.319 1.00 0.00 C ATOM 174 C SER A 13 43.047 8.061 -39.257 1.00 0.00 C ATOM 175 O SER A 13 42.101 8.661 -38.747 1.00 0.00 O ATOM 176 CB SER A 13 42.347 6.056 -40.579 1.00 0.00 C ATOM 177 OG SER A 13 42.945 4.877 -41.087 1.00 0.00 O ATOM 0 H SER A 13 41.551 6.380 -37.874 1.00 0.00 H new ATOM 0 HA SER A 13 44.102 6.209 -39.354 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.297 5.867 -40.354 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.374 6.837 -41.339 1.00 0.00 H new ATOM 0 HG SER A 13 42.467 4.588 -41.892 1.00 0.00 H new ATOM 183 N VAL A 14 44.104 8.675 -39.780 1.00 0.00 N ATOM 184 CA VAL A 14 44.231 10.128 -39.790 1.00 0.00 C ATOM 185 C VAL A 14 42.872 10.808 -39.929 1.00 0.00 C ATOM 186 O VAL A 14 42.424 11.100 -41.038 1.00 0.00 O ATOM 187 CB VAL A 14 45.147 10.597 -40.938 1.00 0.00 C ATOM 188 CG1 VAL A 14 44.804 9.868 -42.228 1.00 0.00 C ATOM 189 CG2 VAL A 14 45.048 12.104 -41.127 1.00 0.00 C ATOM 0 H VAL A 14 44.890 8.184 -40.205 1.00 0.00 H new ATOM 0 HA VAL A 14 44.673 10.412 -38.835 1.00 0.00 H new ATOM 0 HB VAL A 14 46.177 10.357 -40.673 1.00 0.00 H new ATOM 0 HG11 VAL A 14 45.461 10.213 -43.026 1.00 0.00 H new ATOM 0 HG12 VAL A 14 44.937 8.795 -42.086 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.768 10.073 -42.497 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.703 12.412 -41.942 1.00 0.00 H new ATOM 0 HG22 VAL A 14 44.019 12.374 -41.366 1.00 0.00 H new ATOM 0 HG23 VAL A 14 45.351 12.607 -40.208 1.00 0.00 H new ATOM 199 N GLY A 15 42.226 11.067 -38.798 1.00 0.00 N ATOM 200 CA GLY A 15 40.929 11.719 -38.817 1.00 0.00 C ATOM 201 C GLY A 15 39.786 10.765 -38.540 1.00 0.00 C ATOM 202 O GLY A 15 38.812 10.717 -39.292 1.00 0.00 O ATOM 0 H GLY A 15 42.577 10.837 -37.868 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.918 12.517 -38.074 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.777 12.187 -39.790 1.00 0.00 H new ATOM 206 N MET A 16 39.901 10.007 -37.458 1.00 0.00 N ATOM 207 CA MET A 16 38.865 9.052 -37.080 1.00 0.00 C ATOM 208 C MET A 16 38.490 9.216 -35.611 1.00 0.00 C ATOM 209 O MET A 16 38.530 8.255 -34.842 1.00 0.00 O ATOM 210 CB MET A 16 39.337 7.624 -37.344 1.00 0.00 C ATOM 211 CG MET A 16 39.113 7.167 -38.777 1.00 0.00 C ATOM 212 SD MET A 16 37.943 5.799 -38.894 1.00 0.00 S ATOM 213 CE MET A 16 38.808 4.532 -37.972 1.00 0.00 C ATOM 0 H MET A 16 40.701 10.034 -36.826 1.00 0.00 H new ATOM 0 HA MET A 16 37.981 9.250 -37.687 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.399 7.551 -37.110 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.815 6.946 -36.669 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.746 8.006 -39.369 1.00 0.00 H new ATOM 0 HG3 MET A 16 40.066 6.863 -39.211 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.400 3.554 -38.227 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.868 4.559 -38.223 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.683 4.710 -36.904 1.00 0.00 H new ATOM 223 N GLN A 17 38.130 10.440 -35.234 1.00 0.00 N ATOM 224 CA GLN A 17 37.747 10.751 -33.859 1.00 0.00 C ATOM 225 C GLN A 17 37.115 9.547 -33.168 1.00 0.00 C ATOM 226 O GLN A 17 36.324 8.818 -33.766 1.00 0.00 O ATOM 227 CB GLN A 17 36.770 11.928 -33.842 1.00 0.00 C ATOM 228 CG GLN A 17 37.371 13.207 -33.285 1.00 0.00 C ATOM 229 CD GLN A 17 36.342 14.307 -33.111 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.237 14.834 -31.897 1.00 0.00 O flip ATOM 231 NE2 GLN A 17 35.649 14.681 -34.059 1.00 0.00 N flip ATOM 0 H GLN A 17 38.095 11.239 -35.867 1.00 0.00 H new ATOM 0 HA GLN A 17 38.652 11.017 -33.313 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.419 12.113 -34.857 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.898 11.657 -33.247 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.838 12.996 -32.323 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.160 13.554 -33.953 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.763 14.248 -34.976 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.962 15.423 -33.927 1.00 0.00 H new ATOM 240 N TRP A 18 37.469 9.347 -31.901 1.00 0.00 N ATOM 241 CA TRP A 18 36.934 8.233 -31.125 1.00 0.00 C ATOM 242 C TRP A 18 36.875 8.578 -29.640 1.00 0.00 C ATOM 243 O TRP A 18 37.153 9.710 -29.243 1.00 0.00 O ATOM 244 CB TRP A 18 37.781 6.977 -31.338 1.00 0.00 C ATOM 245 CG TRP A 18 39.129 7.045 -30.689 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.457 6.621 -29.433 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.333 7.563 -31.264 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.790 6.844 -29.193 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.351 7.423 -30.303 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.649 8.133 -32.501 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.662 7.831 -30.541 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.949 8.538 -32.735 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.940 8.386 -31.760 1.00 0.00 C ATOM 0 H TRP A 18 38.123 9.941 -31.391 1.00 0.00 H new ATOM 0 HA TRP A 18 35.919 8.039 -31.473 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.242 6.115 -30.946 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.910 6.813 -32.408 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.768 6.175 -28.731 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.283 6.616 -28.330 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.890 8.255 -33.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.430 7.713 -29.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.204 8.979 -33.687 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.947 8.714 -31.974 1.00 0.00 H new ATOM 264 N LEU A 19 36.508 7.594 -28.825 1.00 0.00 N ATOM 265 CA LEU A 19 36.407 7.791 -27.383 1.00 0.00 C ATOM 266 C LEU A 19 37.173 6.710 -26.633 1.00 0.00 C ATOM 267 O LEU A 19 37.452 5.642 -27.177 1.00 0.00 O ATOM 268 CB LEU A 19 34.942 7.773 -26.941 1.00 0.00 C ATOM 269 CG LEU A 19 34.542 8.885 -25.972 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.544 10.232 -26.673 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.175 8.600 -25.370 1.00 0.00 C ATOM 0 H LEU A 19 36.275 6.652 -29.139 1.00 0.00 H new ATOM 0 HA LEU A 19 36.843 8.762 -27.148 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.311 7.840 -27.827 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.732 6.811 -26.472 1.00 0.00 H new ATOM 0 HG LEU A 19 35.275 8.917 -25.166 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.257 11.010 -25.966 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.543 10.441 -27.057 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.834 10.213 -27.500 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.906 9.402 -24.682 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.432 8.540 -26.166 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.205 7.654 -24.830 1.00 0.00 H new ATOM 283 N LYS A 20 37.503 6.992 -25.380 1.00 0.00 N ATOM 284 CA LYS A 20 38.230 6.036 -24.555 1.00 0.00 C ATOM 285 C LYS A 20 37.933 6.249 -23.075 1.00 0.00 C ATOM 286 O LYS A 20 37.630 7.362 -22.644 1.00 0.00 O ATOM 287 CB LYS A 20 39.734 6.144 -24.813 1.00 0.00 C ATOM 288 CG LYS A 20 40.404 7.283 -24.064 1.00 0.00 C ATOM 289 CD LYS A 20 41.903 7.063 -23.951 1.00 0.00 C ATOM 290 CE LYS A 20 42.240 6.119 -22.809 1.00 0.00 C ATOM 291 NZ LYS A 20 43.253 5.102 -23.208 1.00 0.00 N ATOM 0 H LYS A 20 37.280 7.871 -24.914 1.00 0.00 H new ATOM 0 HA LYS A 20 37.896 5.035 -24.828 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.210 5.205 -24.530 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.901 6.276 -25.882 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.210 8.224 -24.579 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.971 7.370 -23.068 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.284 6.655 -24.887 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.402 8.019 -23.794 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.616 6.693 -21.963 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.333 5.616 -22.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.455 4.478 -22.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 42.884 4.537 -23.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.128 5.581 -23.503 1.00 0.00 H new ATOM 379 N GLN A 26 35.876 9.024 -18.359 1.00 0.00 N ATOM 380 CA GLN A 26 35.881 8.996 -19.817 1.00 0.00 C ATOM 381 C GLN A 26 37.036 9.826 -20.368 1.00 0.00 C ATOM 382 O GLN A 26 37.680 10.574 -19.634 1.00 0.00 O ATOM 383 CB GLN A 26 34.552 9.526 -20.361 1.00 0.00 C ATOM 384 CG GLN A 26 33.388 8.571 -20.159 1.00 0.00 C ATOM 385 CD GLN A 26 32.429 9.041 -19.083 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.195 8.343 -18.095 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.867 10.229 -19.269 1.00 0.00 N ATOM 0 HA GLN A 26 36.011 7.963 -20.139 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.322 10.474 -19.875 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.661 9.732 -21.426 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.847 8.459 -21.099 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.772 7.586 -19.893 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.090 10.774 -20.102 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.213 10.597 -18.579 1.00 0.00 H new ATOM 396 N MET A 27 37.294 9.688 -21.663 1.00 0.00 N ATOM 397 CA MET A 27 38.374 10.426 -22.305 1.00 0.00 C ATOM 398 C MET A 27 38.243 10.383 -23.824 1.00 0.00 C ATOM 399 O MET A 27 38.275 9.313 -24.432 1.00 0.00 O ATOM 400 CB MET A 27 39.727 9.853 -21.885 1.00 0.00 C ATOM 401 CG MET A 27 40.814 10.905 -21.740 1.00 0.00 C ATOM 402 SD MET A 27 42.309 10.484 -22.655 1.00 0.00 S ATOM 403 CE MET A 27 43.519 10.452 -21.334 1.00 0.00 C ATOM 0 H MET A 27 36.772 9.074 -22.287 1.00 0.00 H new ATOM 0 HA MET A 27 38.307 11.466 -21.984 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.612 9.329 -20.936 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.044 9.114 -22.621 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.435 11.865 -22.091 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.060 11.026 -20.685 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.498 10.205 -21.744 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.562 11.431 -20.856 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.234 9.701 -20.597 1.00 0.00 H new ATOM 413 N LEU A 28 38.104 11.557 -24.428 1.00 0.00 N ATOM 414 CA LEU A 28 37.976 11.667 -25.875 1.00 0.00 C ATOM 415 C LEU A 28 39.352 11.737 -26.521 1.00 0.00 C ATOM 416 O LEU A 28 40.195 12.526 -26.103 1.00 0.00 O ATOM 417 CB LEU A 28 37.179 12.918 -26.236 1.00 0.00 C ATOM 418 CG LEU A 28 36.399 12.823 -27.542 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.909 12.961 -27.278 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.870 13.882 -28.527 1.00 0.00 C ATOM 0 H LEU A 28 38.077 12.450 -23.935 1.00 0.00 H new ATOM 0 HA LEU A 28 37.452 10.786 -26.246 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.481 13.133 -25.427 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.865 13.763 -26.299 1.00 0.00 H new ATOM 0 HG LEU A 28 36.583 11.844 -27.984 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.365 12.891 -28.220 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.582 12.164 -26.610 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.710 13.927 -26.814 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.301 13.797 -29.453 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.718 14.872 -28.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.929 13.737 -28.738 1.00 0.00 H new ATOM 432 N CYS A 29 39.585 10.915 -27.536 1.00 0.00 N ATOM 433 CA CYS A 29 40.877 10.913 -28.211 1.00 0.00 C ATOM 434 C CYS A 29 40.726 11.024 -29.721 1.00 0.00 C ATOM 435 O CYS A 29 39.839 10.416 -30.321 1.00 0.00 O ATOM 436 CB CYS A 29 41.670 9.660 -27.843 1.00 0.00 C ATOM 437 SG CYS A 29 43.465 9.823 -28.102 1.00 0.00 S ATOM 0 H CYS A 29 38.907 10.249 -27.906 1.00 0.00 H new ATOM 0 HA CYS A 29 41.426 11.791 -27.871 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.484 9.418 -26.797 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.302 8.822 -28.434 1.00 0.00 H new ATOM 442 N THR A 30 41.604 11.818 -30.326 1.00 0.00 N ATOM 443 CA THR A 30 41.583 12.030 -31.768 1.00 0.00 C ATOM 444 C THR A 30 42.982 11.953 -32.362 1.00 0.00 C ATOM 445 O THR A 30 43.973 12.225 -31.684 1.00 0.00 O ATOM 446 CB THR A 30 40.988 13.402 -32.130 1.00 0.00 C ATOM 447 OG1 THR A 30 39.678 13.535 -31.570 1.00 0.00 O ATOM 448 CG2 THR A 30 40.924 13.581 -33.642 1.00 0.00 C ATOM 0 H THR A 30 42.341 12.326 -29.837 1.00 0.00 H new ATOM 0 HA THR A 30 40.960 11.237 -32.182 1.00 0.00 H new ATOM 0 HB THR A 30 41.635 14.175 -31.715 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.297 14.399 -31.832 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.500 14.558 -33.875 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.929 13.512 -34.059 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.297 12.801 -34.075 1.00 0.00 H new ATOM 456 N CYS A 31 43.051 11.608 -33.641 1.00 0.00 N ATOM 457 CA CYS A 31 44.325 11.526 -34.337 1.00 0.00 C ATOM 458 C CYS A 31 44.360 12.524 -35.483 1.00 0.00 C ATOM 459 O CYS A 31 43.668 12.360 -36.488 1.00 0.00 O ATOM 460 CB CYS A 31 44.586 10.111 -34.853 1.00 0.00 C ATOM 461 SG CYS A 31 43.274 9.426 -35.910 1.00 0.00 S ATOM 0 H CYS A 31 42.240 11.381 -34.216 1.00 0.00 H new ATOM 0 HA CYS A 31 45.115 11.772 -33.628 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.521 10.111 -35.414 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.727 9.449 -33.999 1.00 0.00 H new ATOM 466 N LEU A 32 45.159 13.566 -35.314 1.00 0.00 N ATOM 467 CA LEU A 32 45.280 14.610 -36.324 1.00 0.00 C ATOM 468 C LEU A 32 46.198 14.171 -37.460 1.00 0.00 C ATOM 469 O LEU A 32 45.746 13.582 -38.441 1.00 0.00 O ATOM 470 CB LEU A 32 45.804 15.907 -35.699 1.00 0.00 C ATOM 471 CG LEU A 32 46.624 15.730 -34.419 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.690 16.808 -34.310 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.714 15.749 -33.198 1.00 0.00 C ATOM 0 H LEU A 32 45.735 13.713 -34.485 1.00 0.00 H new ATOM 0 HA LEU A 32 44.287 14.792 -36.735 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.418 16.424 -36.436 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.955 16.555 -35.481 1.00 0.00 H new ATOM 0 HG LEU A 32 47.123 14.762 -34.462 1.00 0.00 H new ATOM 0 HD11 LEU A 32 48.261 16.663 -33.393 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.359 16.746 -35.168 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.215 17.789 -34.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.313 15.622 -32.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 45.186 16.702 -33.152 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.991 14.937 -33.271 1.00 0.00 H new ATOM 485 N GLY A 33 47.486 14.463 -37.326 1.00 0.00 N ATOM 486 CA GLY A 33 48.437 14.089 -38.355 1.00 0.00 C ATOM 487 C GLY A 33 49.788 13.703 -37.792 1.00 0.00 C ATOM 488 O GLY A 33 50.370 12.693 -38.188 1.00 0.00 O ATOM 0 H GLY A 33 47.888 14.951 -36.525 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.035 13.254 -38.928 1.00 0.00 H new ATOM 0 HA3 GLY A 33 48.561 14.921 -39.048 1.00 0.00 H new ATOM 492 N ASN A 34 50.288 14.509 -36.864 1.00 0.00 N ATOM 493 CA ASN A 34 51.581 14.247 -36.243 1.00 0.00 C ATOM 494 C ASN A 34 51.462 13.165 -35.176 1.00 0.00 C ATOM 495 O ASN A 34 52.412 12.424 -34.922 1.00 0.00 O ATOM 496 CB ASN A 34 52.150 15.529 -35.631 1.00 0.00 C ATOM 497 CG ASN A 34 51.602 15.805 -34.245 1.00 0.00 C ATOM 498 OD1 ASN A 34 50.631 16.543 -34.083 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.227 15.211 -33.233 1.00 0.00 N ATOM 0 H ASN A 34 49.819 15.349 -36.525 1.00 0.00 H new ATOM 0 HA ASN A 34 52.262 13.894 -37.017 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.236 15.452 -35.580 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.921 16.372 -36.283 1.00 0.00 H new ATOM 0 HD21 ASN A 34 51.905 15.360 -32.277 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.029 14.607 -33.413 1.00 0.00 H new ATOM 506 N GLY A 35 50.291 13.079 -34.554 1.00 0.00 N ATOM 507 CA GLY A 35 50.077 12.082 -33.523 1.00 0.00 C ATOM 508 C GLY A 35 48.614 11.910 -33.167 1.00 0.00 C ATOM 509 O GLY A 35 47.754 11.863 -34.047 1.00 0.00 O ATOM 0 H GLY A 35 49.489 13.680 -34.745 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.479 11.126 -33.859 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.633 12.365 -32.629 1.00 0.00 H new ATOM 513 N VAL A 36 48.333 11.811 -31.872 1.00 0.00 N ATOM 514 CA VAL A 36 46.967 11.640 -31.394 1.00 0.00 C ATOM 515 C VAL A 36 46.755 12.383 -30.078 1.00 0.00 C ATOM 516 O VAL A 36 47.504 12.193 -29.120 1.00 0.00 O ATOM 517 CB VAL A 36 46.625 10.148 -31.198 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.333 9.987 -30.413 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.529 9.442 -32.540 1.00 0.00 C ATOM 0 H VAL A 36 49.036 11.846 -31.133 1.00 0.00 H new ATOM 0 HA VAL A 36 46.305 12.056 -32.153 1.00 0.00 H new ATOM 0 HB VAL A 36 47.429 9.687 -30.624 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.113 8.927 -30.288 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.442 10.453 -29.434 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.517 10.465 -30.954 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.287 8.391 -32.382 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.748 9.908 -33.141 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.483 9.520 -33.061 1.00 0.00 H new ATOM 529 N SER A 37 45.732 13.230 -30.038 1.00 0.00 N ATOM 530 CA SER A 37 45.423 14.001 -28.839 1.00 0.00 C ATOM 531 C SER A 37 44.049 13.628 -28.292 1.00 0.00 C ATOM 532 O SER A 37 43.106 13.410 -29.051 1.00 0.00 O ATOM 533 CB SER A 37 45.479 15.500 -29.142 1.00 0.00 C ATOM 534 OG SER A 37 45.448 16.263 -27.948 1.00 0.00 O ATOM 0 H SER A 37 45.102 13.400 -30.822 1.00 0.00 H new ATOM 0 HA SER A 37 46.170 13.765 -28.081 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.388 15.728 -29.699 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.637 15.778 -29.777 1.00 0.00 H new ATOM 0 HG SER A 37 45.487 17.217 -28.168 1.00 0.00 H new ATOM 540 N CYS A 38 43.945 13.551 -26.968 1.00 0.00 N ATOM 541 CA CYS A 38 42.687 13.199 -26.319 1.00 0.00 C ATOM 542 C CYS A 38 42.396 14.133 -25.146 1.00 0.00 C ATOM 543 O CYS A 38 43.313 14.613 -24.481 1.00 0.00 O ATOM 544 CB CYS A 38 42.728 11.746 -25.832 1.00 0.00 C ATOM 545 SG CYS A 38 44.150 10.778 -26.442 1.00 0.00 S ATOM 0 H CYS A 38 44.717 13.728 -26.325 1.00 0.00 H new ATOM 0 HA CYS A 38 41.888 13.308 -27.052 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.744 11.743 -24.742 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.808 11.248 -26.139 1.00 0.00 H new ATOM 550 N GLN A 39 41.111 14.384 -24.899 1.00 0.00 N ATOM 551 CA GLN A 39 40.701 15.259 -23.805 1.00 0.00 C ATOM 552 C GLN A 39 40.203 14.446 -22.614 1.00 0.00 C ATOM 553 O GLN A 39 39.221 13.711 -22.718 1.00 0.00 O ATOM 554 CB GLN A 39 39.605 16.218 -24.275 1.00 0.00 C ATOM 555 CG GLN A 39 40.113 17.615 -24.591 1.00 0.00 C ATOM 556 CD GLN A 39 39.484 18.676 -23.709 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.872 19.624 -24.199 1.00 0.00 O ATOM 558 NE2 GLN A 39 39.631 18.520 -22.397 1.00 0.00 N ATOM 0 H GLN A 39 40.339 13.995 -25.440 1.00 0.00 H new ATOM 0 HA GLN A 39 41.570 15.836 -23.490 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.128 15.804 -25.164 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.838 16.285 -23.504 1.00 0.00 H new ATOM 0 HG2 GLN A 39 41.196 17.641 -24.468 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.905 17.846 -25.636 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.146 17.719 -22.033 1.00 0.00 H new ATOM 0 HE22 GLN A 39 39.228 19.202 -21.754 1.00 0.00 H new ATOM 636 N GLN A 45 32.879 23.945 -18.036 1.00 0.00 N ATOM 637 CA GLN A 45 31.949 25.011 -17.681 1.00 0.00 C ATOM 638 C GLN A 45 30.560 24.451 -17.387 1.00 0.00 C ATOM 639 O GLN A 45 30.253 24.090 -16.251 1.00 0.00 O ATOM 640 CB GLN A 45 31.870 26.042 -18.809 1.00 0.00 C ATOM 641 CG GLN A 45 33.144 26.853 -18.987 1.00 0.00 C ATOM 642 CD GLN A 45 33.175 28.092 -18.113 1.00 0.00 C ATOM 643 OE1 GLN A 45 33.089 28.004 -16.888 1.00 0.00 O ATOM 644 NE2 GLN A 45 33.301 29.256 -18.740 1.00 0.00 N ATOM 0 HA GLN A 45 32.320 25.497 -16.779 1.00 0.00 H new ATOM 0 HB2 GLN A 45 31.643 25.528 -19.743 1.00 0.00 H new ATOM 0 HB3 GLN A 45 31.042 26.722 -18.610 1.00 0.00 H new ATOM 0 HG2 GLN A 45 34.005 26.226 -18.753 1.00 0.00 H new ATOM 0 HG3 GLN A 45 33.239 27.148 -20.032 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.369 29.283 -19.757 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.330 30.123 -18.204 1.00 0.00 H new ATOM 653 N THR A 46 29.722 24.387 -18.418 1.00 0.00 N ATOM 654 CA THR A 46 28.362 23.877 -18.273 1.00 0.00 C ATOM 655 C THR A 46 27.578 24.683 -17.245 1.00 0.00 C ATOM 656 O THR A 46 28.010 24.839 -16.103 1.00 0.00 O ATOM 657 CB THR A 46 28.352 22.394 -17.855 1.00 0.00 C ATOM 658 OG1 THR A 46 29.572 22.064 -17.181 1.00 0.00 O ATOM 659 CG2 THR A 46 28.177 21.493 -19.068 1.00 0.00 C ATOM 0 H THR A 46 29.961 24.683 -19.364 1.00 0.00 H new ATOM 0 HA THR A 46 27.888 23.974 -19.250 1.00 0.00 H new ATOM 0 HB THR A 46 27.512 22.236 -17.179 1.00 0.00 H new ATOM 0 HG1 THR A 46 29.680 22.643 -16.398 1.00 0.00 H new ATOM 0 HG21 THR A 46 28.173 20.451 -18.749 1.00 0.00 H new ATOM 0 HG22 THR A 46 27.233 21.726 -19.561 1.00 0.00 H new ATOM 0 HG23 THR A 46 29.000 21.656 -19.764 1.00 0.00 H new ATOM 667 N TYR A 47 26.420 25.190 -17.656 1.00 0.00 N ATOM 668 CA TYR A 47 25.575 25.976 -16.765 1.00 0.00 C ATOM 669 C TYR A 47 24.224 25.294 -16.554 1.00 0.00 C ATOM 670 O TYR A 47 23.620 25.411 -15.489 1.00 0.00 O ATOM 671 CB TYR A 47 25.371 27.388 -17.319 1.00 0.00 C ATOM 672 CG TYR A 47 25.441 27.480 -18.828 1.00 0.00 C ATOM 673 CD1 TYR A 47 26.653 27.681 -19.478 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.292 27.373 -19.603 1.00 0.00 C ATOM 675 CE1 TYR A 47 26.718 27.773 -20.856 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.350 27.466 -20.980 1.00 0.00 C ATOM 677 CZ TYR A 47 25.564 27.665 -21.602 1.00 0.00 C ATOM 678 OH TYR A 47 25.624 27.758 -22.974 1.00 0.00 O ATOM 0 H TYR A 47 26.046 25.071 -18.598 1.00 0.00 H new ATOM 0 HA TYR A 47 26.080 26.048 -15.802 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.401 27.759 -16.988 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.127 28.047 -16.891 1.00 0.00 H new ATOM 0 HD1 TYR A 47 27.559 27.767 -18.897 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.339 27.215 -19.121 1.00 0.00 H new ATOM 0 HE1 TYR A 47 27.668 27.929 -21.345 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.447 27.383 -21.567 1.00 0.00 H new ATOM 0 HH TYR A 47 26.492 27.427 -23.287 1.00 0.00 H new ATOM 688 N GLY A 48 23.763 24.575 -17.572 1.00 0.00 N ATOM 689 CA GLY A 48 22.494 23.878 -17.471 1.00 0.00 C ATOM 690 C GLY A 48 21.321 24.710 -17.951 1.00 0.00 C ATOM 691 O GLY A 48 20.883 25.632 -17.264 1.00 0.00 O ATOM 0 H GLY A 48 24.245 24.463 -18.464 1.00 0.00 H new ATOM 0 HA2 GLY A 48 22.543 22.959 -18.055 1.00 0.00 H new ATOM 0 HA3 GLY A 48 22.326 23.588 -16.434 1.00 0.00 H new ATOM 695 N GLY A 49 20.802 24.376 -19.131 1.00 0.00 N ATOM 696 CA GLY A 49 19.667 25.101 -19.672 1.00 0.00 C ATOM 697 C GLY A 49 18.430 24.931 -18.820 1.00 0.00 C ATOM 698 O GLY A 49 17.878 25.905 -18.304 1.00 0.00 O ATOM 0 H GLY A 49 21.147 23.618 -19.720 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.914 26.160 -19.745 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.462 24.751 -20.684 1.00 0.00 H new ATOM 702 N ASN A 50 18.000 23.687 -18.665 1.00 0.00 N ATOM 703 CA ASN A 50 16.827 23.371 -17.862 1.00 0.00 C ATOM 704 C ASN A 50 17.218 22.536 -16.645 1.00 0.00 C ATOM 705 O ASN A 50 16.364 22.151 -15.844 1.00 0.00 O ATOM 706 CB ASN A 50 15.791 22.622 -18.701 1.00 0.00 C ATOM 707 CG ASN A 50 14.376 22.841 -18.202 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.043 23.915 -17.700 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.535 21.823 -18.339 1.00 0.00 N ATOM 0 H ASN A 50 18.449 22.875 -19.088 1.00 0.00 H new ATOM 0 HA ASN A 50 16.388 24.307 -17.516 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.862 22.949 -19.738 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.018 21.556 -18.687 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.570 21.913 -18.022 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.854 20.951 -18.761 1.00 0.00 H new ATOM 716 N SER A 51 18.513 22.261 -16.511 1.00 0.00 N ATOM 717 CA SER A 51 19.017 21.476 -15.391 1.00 0.00 C ATOM 718 C SER A 51 19.993 22.293 -14.549 1.00 0.00 C ATOM 719 O SER A 51 19.582 23.086 -13.703 1.00 0.00 O ATOM 720 CB SER A 51 19.687 20.196 -15.898 1.00 0.00 C ATOM 721 OG SER A 51 18.728 19.188 -16.167 1.00 0.00 O ATOM 0 H SER A 51 19.232 22.571 -17.165 1.00 0.00 H new ATOM 0 HA SER A 51 18.173 21.201 -14.759 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.254 20.413 -16.803 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.398 19.836 -15.155 1.00 0.00 H new ATOM 0 HG SER A 51 19.182 18.382 -16.491 1.00 0.00 H new ATOM 727 N ASN A 52 21.285 22.099 -14.788 1.00 0.00 N ATOM 728 CA ASN A 52 22.316 22.821 -14.052 1.00 0.00 C ATOM 729 C ASN A 52 23.707 22.368 -14.482 1.00 0.00 C ATOM 730 O ASN A 52 24.658 22.426 -13.702 1.00 0.00 O ATOM 731 CB ASN A 52 22.140 22.609 -12.547 1.00 0.00 C ATOM 732 CG ASN A 52 22.834 23.680 -11.729 1.00 0.00 C ATOM 733 OD1 ASN A 52 22.054 24.454 -10.983 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 24.058 23.810 -11.765 1.00 0.00 N flip ATOM 0 H ASN A 52 21.644 21.447 -15.486 1.00 0.00 H new ATOM 0 HA ASN A 52 22.213 23.883 -14.277 1.00 0.00 H new ATOM 0 HB2 ASN A 52 21.077 22.602 -12.305 1.00 0.00 H new ATOM 0 HB3 ASN A 52 22.536 21.631 -12.272 1.00 0.00 H new ATOM 0 HD21 ASN A 52 24.619 23.193 -12.352 1.00 0.00 H new ATOM 0 HD22 ASN A 52 24.511 24.534 -11.208 1.00 0.00 H new ATOM 741 N GLY A 53 23.819 21.916 -15.728 1.00 0.00 N ATOM 742 CA GLY A 53 25.099 21.459 -16.236 1.00 0.00 C ATOM 743 C GLY A 53 25.334 19.986 -15.969 1.00 0.00 C ATOM 744 O GLY A 53 25.051 19.142 -16.819 1.00 0.00 O ATOM 0 H GLY A 53 23.048 21.858 -16.393 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.148 21.643 -17.309 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.898 22.041 -15.776 1.00 0.00 H new ATOM 748 N GLU A 54 25.852 19.676 -14.785 1.00 0.00 N ATOM 749 CA GLU A 54 26.126 18.295 -14.407 1.00 0.00 C ATOM 750 C GLU A 54 26.975 17.598 -15.466 1.00 0.00 C ATOM 751 O GLU A 54 27.125 18.096 -16.583 1.00 0.00 O ATOM 752 CB GLU A 54 24.816 17.531 -14.204 1.00 0.00 C ATOM 753 CG GLU A 54 24.348 17.500 -12.759 1.00 0.00 C ATOM 754 CD GLU A 54 24.190 16.089 -12.226 1.00 0.00 C ATOM 755 OE1 GLU A 54 24.391 15.134 -13.006 1.00 0.00 O ATOM 756 OE2 GLU A 54 23.868 15.939 -11.029 1.00 0.00 O ATOM 0 H GLU A 54 26.091 20.364 -14.070 1.00 0.00 H new ATOM 0 HA GLU A 54 26.683 18.305 -13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 54 24.040 17.987 -14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.943 16.508 -14.558 1.00 0.00 H new ATOM 0 HG2 GLU A 54 25.062 18.041 -12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.395 18.023 -12.678 1.00 0.00 H new ATOM 763 N PRO A 55 27.539 16.431 -15.124 1.00 0.00 N ATOM 764 CA PRO A 55 28.376 15.657 -16.046 1.00 0.00 C ATOM 765 C PRO A 55 27.566 15.045 -17.184 1.00 0.00 C ATOM 766 O PRO A 55 26.848 14.064 -16.991 1.00 0.00 O ATOM 767 CB PRO A 55 28.960 14.558 -15.156 1.00 0.00 C ATOM 768 CG PRO A 55 27.974 14.405 -14.049 1.00 0.00 C ATOM 769 CD PRO A 55 27.402 15.774 -13.812 1.00 0.00 C ATOM 0 HA PRO A 55 29.130 16.276 -16.532 1.00 0.00 H new ATOM 0 HB2 PRO A 55 29.084 13.626 -15.707 1.00 0.00 H new ATOM 0 HB3 PRO A 55 29.943 14.837 -14.776 1.00 0.00 H new ATOM 0 HG2 PRO A 55 27.191 13.696 -14.319 1.00 0.00 H new ATOM 0 HG3 PRO A 55 28.454 14.022 -13.149 1.00 0.00 H new ATOM 0 HD2 PRO A 55 26.361 15.725 -13.493 1.00 0.00 H new ATOM 0 HD3 PRO A 55 27.948 16.309 -13.035 1.00 0.00 H new ATOM 777 N CYS A 56 27.683 15.633 -18.371 1.00 0.00 N ATOM 778 CA CYS A 56 26.958 15.145 -19.537 1.00 0.00 C ATOM 779 C CYS A 56 27.028 13.624 -19.627 1.00 0.00 C ATOM 780 O CYS A 56 27.844 12.989 -18.959 1.00 0.00 O ATOM 781 CB CYS A 56 27.514 15.779 -20.813 1.00 0.00 C ATOM 782 SG CYS A 56 27.620 17.597 -20.750 1.00 0.00 S ATOM 0 H CYS A 56 28.272 16.446 -18.549 1.00 0.00 H new ATOM 0 HA CYS A 56 25.912 15.431 -19.430 1.00 0.00 H new ATOM 0 HB2 CYS A 56 28.507 15.374 -21.005 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.884 15.491 -21.654 1.00 0.00 H new ATOM 787 N VAL A 57 26.158 13.044 -20.449 1.00 0.00 N ATOM 788 CA VAL A 57 26.110 11.596 -20.618 1.00 0.00 C ATOM 789 C VAL A 57 26.284 11.201 -22.083 1.00 0.00 C ATOM 790 O VAL A 57 25.352 10.711 -22.719 1.00 0.00 O ATOM 791 CB VAL A 57 24.779 11.025 -20.093 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.624 11.437 -20.994 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.857 9.512 -19.970 1.00 0.00 C ATOM 0 H VAL A 57 25.476 13.556 -21.009 1.00 0.00 H new ATOM 0 HA VAL A 57 26.934 11.178 -20.040 1.00 0.00 H new ATOM 0 HB VAL A 57 24.597 11.437 -19.101 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.694 11.023 -20.605 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.554 12.524 -21.021 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.796 11.059 -22.002 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.907 9.128 -19.598 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.066 9.078 -20.948 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.654 9.244 -19.276 1.00 0.00 H new ATOM 803 N LEU A 58 27.481 11.416 -22.613 1.00 0.00 N ATOM 804 CA LEU A 58 27.763 11.078 -24.004 1.00 0.00 C ATOM 805 C LEU A 58 28.812 9.976 -24.108 1.00 0.00 C ATOM 806 O LEU A 58 29.532 9.693 -23.150 1.00 0.00 O ATOM 807 CB LEU A 58 28.235 12.316 -24.770 1.00 0.00 C ATOM 808 CG LEU A 58 28.999 13.344 -23.936 1.00 0.00 C ATOM 809 CD1 LEU A 58 28.080 13.986 -22.914 1.00 0.00 C ATOM 810 CD2 LEU A 58 30.194 12.696 -23.253 1.00 0.00 C ATOM 0 H LEU A 58 28.268 11.820 -22.106 1.00 0.00 H new ATOM 0 HA LEU A 58 26.837 10.711 -24.447 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.872 11.993 -25.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.366 12.804 -25.212 1.00 0.00 H new ATOM 0 HG LEU A 58 29.369 14.124 -24.602 1.00 0.00 H new ATOM 0 HD11 LEU A 58 28.640 14.715 -22.329 1.00 0.00 H new ATOM 0 HD12 LEU A 58 27.258 14.486 -23.427 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.680 13.219 -22.251 1.00 0.00 H new ATOM 0 HD21 LEU A 58 30.726 13.443 -22.664 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.849 11.896 -22.598 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.865 12.284 -24.007 1.00 0.00 H new ATOM 822 N PRO A 59 28.906 9.340 -25.286 1.00 0.00 N ATOM 823 CA PRO A 59 28.057 9.663 -26.435 1.00 0.00 C ATOM 824 C PRO A 59 26.607 9.256 -26.222 1.00 0.00 C ATOM 825 O PRO A 59 26.321 8.196 -25.664 1.00 0.00 O ATOM 826 CB PRO A 59 28.662 8.847 -27.583 1.00 0.00 C ATOM 827 CG PRO A 59 29.991 8.381 -27.085 1.00 0.00 C ATOM 828 CD PRO A 59 29.845 8.257 -25.597 1.00 0.00 C ATOM 0 HA PRO A 59 28.035 10.737 -26.620 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.023 8.003 -27.844 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.771 9.455 -28.481 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.264 7.425 -27.533 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.777 9.090 -27.344 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.453 7.282 -25.306 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.798 8.384 -25.083 1.00 0.00 H new ATOM 836 N PHE A 60 25.694 10.100 -26.683 1.00 0.00 N ATOM 837 CA PHE A 60 24.267 9.829 -26.560 1.00 0.00 C ATOM 838 C PHE A 60 23.640 9.710 -27.942 1.00 0.00 C ATOM 839 O PHE A 60 24.336 9.795 -28.953 1.00 0.00 O ATOM 840 CB PHE A 60 23.571 10.935 -25.762 1.00 0.00 C ATOM 841 CG PHE A 60 24.068 12.315 -26.084 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.769 12.904 -27.302 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.831 13.024 -25.169 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.223 14.174 -27.602 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.288 14.295 -25.465 1.00 0.00 C ATOM 846 CZ PHE A 60 24.983 14.871 -26.683 1.00 0.00 C ATOM 0 H PHE A 60 25.916 10.981 -27.147 1.00 0.00 H new ATOM 0 HA PHE A 60 24.139 8.888 -26.026 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.499 10.890 -25.954 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.712 10.747 -24.698 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.175 12.365 -28.025 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.071 12.579 -24.215 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.984 14.622 -28.555 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.883 14.837 -24.745 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.338 15.864 -26.916 1.00 0.00 H new ATOM 856 N THR A 61 22.329 9.518 -27.986 1.00 0.00 N ATOM 857 CA THR A 61 21.626 9.394 -29.255 1.00 0.00 C ATOM 858 C THR A 61 20.454 10.361 -29.329 1.00 0.00 C ATOM 859 O THR A 61 19.593 10.378 -28.449 1.00 0.00 O ATOM 860 CB THR A 61 21.113 7.960 -29.481 1.00 0.00 C ATOM 861 OG1 THR A 61 21.723 7.066 -28.542 1.00 0.00 O ATOM 862 CG2 THR A 61 21.412 7.495 -30.898 1.00 0.00 C ATOM 0 H THR A 61 21.733 9.445 -27.162 1.00 0.00 H new ATOM 0 HA THR A 61 22.345 9.638 -30.038 1.00 0.00 H new ATOM 0 HB THR A 61 20.033 7.958 -29.335 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.390 6.157 -28.692 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.040 6.479 -31.034 1.00 0.00 H new ATOM 0 HG22 THR A 61 20.922 8.159 -31.610 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.489 7.513 -31.067 1.00 0.00 H new ATOM 870 N TYR A 62 20.427 11.165 -30.386 1.00 0.00 N ATOM 871 CA TYR A 62 19.359 12.137 -30.576 1.00 0.00 C ATOM 872 C TYR A 62 19.042 12.314 -32.056 1.00 0.00 C ATOM 873 O TYR A 62 19.939 12.525 -32.872 1.00 0.00 O ATOM 874 CB TYR A 62 19.748 13.483 -29.963 1.00 0.00 C ATOM 875 CG TYR A 62 18.792 14.602 -30.310 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.572 14.727 -29.656 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.109 15.534 -31.291 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.696 15.748 -29.971 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.238 16.556 -31.610 1.00 0.00 C ATOM 880 CZ TYR A 62 17.034 16.660 -30.949 1.00 0.00 C ATOM 881 OH TYR A 62 16.163 17.677 -31.264 1.00 0.00 O ATOM 0 H TYR A 62 21.132 11.162 -31.123 1.00 0.00 H new ATOM 0 HA TYR A 62 18.468 11.761 -30.073 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.796 13.379 -28.879 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.748 13.752 -30.302 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.304 14.015 -28.889 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.052 15.457 -31.812 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.751 15.832 -29.454 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.500 17.272 -32.375 1.00 0.00 H new ATOM 0 HH TYR A 62 15.638 17.916 -30.471 1.00 0.00 H new ATOM 891 N ASN A 63 17.762 12.229 -32.393 1.00 0.00 N ATOM 892 CA ASN A 63 17.327 12.380 -33.774 1.00 0.00 C ATOM 893 C ASN A 63 17.769 11.190 -34.622 1.00 0.00 C ATOM 894 O ASN A 63 17.581 11.179 -35.838 1.00 0.00 O ATOM 895 CB ASN A 63 17.885 13.676 -34.363 1.00 0.00 C ATOM 896 CG ASN A 63 17.027 14.215 -35.489 1.00 0.00 C ATOM 897 OD1 ASN A 63 17.300 13.972 -36.665 1.00 0.00 O ATOM 898 ND2 ASN A 63 15.981 14.953 -35.134 1.00 0.00 N ATOM 0 H ASN A 63 17.007 12.056 -31.729 1.00 0.00 H new ATOM 0 HA ASN A 63 16.238 12.421 -33.783 1.00 0.00 H new ATOM 0 HB2 ASN A 63 17.961 14.427 -33.576 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.895 13.499 -34.732 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.366 15.344 -35.848 1.00 0.00 H new ATOM 0 HD22 ASN A 63 15.792 15.129 -34.147 1.00 0.00 H new ATOM 905 N GLY A 64 18.353 10.189 -33.972 1.00 0.00 N ATOM 906 CA GLY A 64 18.807 9.009 -34.684 1.00 0.00 C ATOM 907 C GLY A 64 20.316 8.952 -34.826 1.00 0.00 C ATOM 908 O GLY A 64 20.862 7.951 -35.293 1.00 0.00 O ATOM 0 H GLY A 64 18.520 10.174 -32.966 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.462 8.118 -34.159 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.353 8.991 -35.675 1.00 0.00 H new ATOM 912 N ARG A 65 20.993 10.022 -34.423 1.00 0.00 N ATOM 913 CA ARG A 65 22.448 10.078 -34.512 1.00 0.00 C ATOM 914 C ARG A 65 23.085 9.948 -33.132 1.00 0.00 C ATOM 915 O ARG A 65 22.437 9.527 -32.174 1.00 0.00 O ATOM 916 CB ARG A 65 22.898 11.380 -35.179 1.00 0.00 C ATOM 917 CG ARG A 65 22.833 12.591 -34.265 1.00 0.00 C ATOM 918 CD ARG A 65 22.913 13.887 -35.057 1.00 0.00 C ATOM 919 NE ARG A 65 21.602 14.504 -35.226 1.00 0.00 N ATOM 920 CZ ARG A 65 21.313 15.370 -36.193 1.00 0.00 C ATOM 921 NH1 ARG A 65 22.240 15.716 -37.076 1.00 0.00 N ATOM 922 NH2 ARG A 65 20.095 15.888 -36.280 1.00 0.00 N ATOM 0 H ARG A 65 20.560 10.859 -34.033 1.00 0.00 H new ATOM 0 HA ARG A 65 22.778 9.238 -35.124 1.00 0.00 H new ATOM 0 HB2 ARG A 65 23.921 11.260 -35.535 1.00 0.00 H new ATOM 0 HB3 ARG A 65 22.275 11.563 -36.054 1.00 0.00 H new ATOM 0 HG2 ARG A 65 21.905 12.568 -33.694 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.651 12.551 -33.546 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.579 14.583 -34.547 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.349 13.688 -36.036 1.00 0.00 H new ATOM 0 HE ARG A 65 20.865 14.257 -34.565 1.00 0.00 H new ATOM 0 HH11 ARG A 65 23.177 15.318 -37.014 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.016 16.380 -37.817 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.378 15.622 -35.605 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.875 16.552 -37.022 1.00 0.00 H new ATOM 936 N THR A 66 24.361 10.310 -33.041 1.00 0.00 N ATOM 937 CA THR A 66 25.090 10.231 -31.781 1.00 0.00 C ATOM 938 C THR A 66 26.081 11.381 -31.648 1.00 0.00 C ATOM 939 O THR A 66 26.632 11.857 -32.641 1.00 0.00 O ATOM 940 CB THR A 66 25.848 8.894 -31.658 1.00 0.00 C ATOM 941 OG1 THR A 66 24.949 7.800 -31.875 1.00 0.00 O ATOM 942 CG2 THR A 66 26.498 8.756 -30.287 1.00 0.00 C ATOM 0 H THR A 66 24.911 10.661 -33.825 1.00 0.00 H new ATOM 0 HA THR A 66 24.353 10.298 -30.981 1.00 0.00 H new ATOM 0 HB THR A 66 26.632 8.879 -32.415 1.00 0.00 H new ATOM 0 HG1 THR A 66 25.438 6.954 -31.797 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.025 7.804 -30.229 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.204 9.572 -30.135 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.730 8.793 -29.515 1.00 0.00 H new ATOM 950 N PHE A 67 26.304 11.826 -30.416 1.00 0.00 N ATOM 951 CA PHE A 67 27.227 12.922 -30.158 1.00 0.00 C ATOM 952 C PHE A 67 28.117 12.617 -28.959 1.00 0.00 C ATOM 953 O PHE A 67 27.628 12.393 -27.849 1.00 0.00 O ATOM 954 CB PHE A 67 26.457 14.222 -29.920 1.00 0.00 C ATOM 955 CG PHE A 67 25.211 14.350 -30.751 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.186 13.421 -30.648 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.064 15.407 -31.635 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.041 13.544 -31.413 1.00 0.00 C ATOM 959 CE2 PHE A 67 23.923 15.535 -32.400 1.00 0.00 C ATOM 960 CZ PHE A 67 22.910 14.603 -32.290 1.00 0.00 C ATOM 0 H PHE A 67 25.858 11.444 -29.582 1.00 0.00 H new ATOM 0 HA PHE A 67 27.862 13.040 -31.036 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.188 14.286 -28.866 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.113 15.066 -30.133 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.284 12.592 -29.962 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.852 16.140 -31.726 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.250 12.813 -31.325 1.00 0.00 H new ATOM 0 HE2 PHE A 67 23.822 16.364 -33.085 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.017 14.702 -32.889 1.00 0.00 H new ATOM 970 N TYR A 68 29.426 12.614 -29.190 1.00 0.00 N ATOM 971 CA TYR A 68 30.394 12.346 -28.134 1.00 0.00 C ATOM 972 C TYR A 68 30.461 13.511 -27.156 1.00 0.00 C ATOM 973 O TYR A 68 31.021 13.391 -26.068 1.00 0.00 O ATOM 974 CB TYR A 68 31.781 12.112 -28.737 1.00 0.00 C ATOM 975 CG TYR A 68 32.019 10.699 -29.221 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.964 9.885 -29.608 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.306 10.182 -29.290 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.184 8.594 -30.050 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.535 8.896 -29.729 1.00 0.00 C ATOM 980 CZ TYR A 68 32.472 8.103 -30.110 1.00 0.00 C ATOM 981 OH TYR A 68 32.696 6.818 -30.548 1.00 0.00 O ATOM 0 H TYR A 68 29.841 12.795 -30.104 1.00 0.00 H new ATOM 0 HA TYR A 68 30.073 11.452 -27.599 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.922 12.798 -29.572 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.535 12.360 -27.990 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.955 10.266 -29.563 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.142 10.799 -28.994 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.352 7.973 -30.347 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.543 8.510 -29.775 1.00 0.00 H new ATOM 0 HH TYR A 68 33.658 6.629 -30.531 1.00 0.00 H new ATOM 991 N SER A 69 29.892 14.642 -27.556 1.00 0.00 N ATOM 992 CA SER A 69 29.894 15.833 -26.719 1.00 0.00 C ATOM 993 C SER A 69 28.666 16.691 -26.986 1.00 0.00 C ATOM 994 O SER A 69 27.675 16.222 -27.547 1.00 0.00 O ATOM 995 CB SER A 69 31.164 16.651 -26.965 1.00 0.00 C ATOM 996 OG SER A 69 31.932 16.770 -25.779 1.00 0.00 O ATOM 0 H SER A 69 29.424 14.758 -28.455 1.00 0.00 H new ATOM 0 HA SER A 69 29.870 15.513 -25.677 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.762 16.176 -27.743 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.897 17.643 -27.330 1.00 0.00 H new ATOM 0 HG SER A 69 32.739 17.295 -25.963 1.00 0.00 H new ATOM 1002 N CYS A 70 28.740 17.952 -26.581 1.00 0.00 N ATOM 1003 CA CYS A 70 27.640 18.882 -26.775 1.00 0.00 C ATOM 1004 C CYS A 70 27.291 19.001 -28.254 1.00 0.00 C ATOM 1005 O CYS A 70 28.025 18.517 -29.115 1.00 0.00 O ATOM 1006 CB CYS A 70 28.005 20.255 -26.211 1.00 0.00 C ATOM 1007 SG CYS A 70 28.983 20.193 -24.674 1.00 0.00 S ATOM 0 H CYS A 70 29.554 18.353 -26.115 1.00 0.00 H new ATOM 0 HA CYS A 70 26.769 18.500 -26.243 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.567 20.808 -26.964 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.088 20.814 -26.023 1.00 0.00 H new ATOM 1012 N THR A 71 26.166 19.645 -28.542 1.00 0.00 N ATOM 1013 CA THR A 71 25.722 19.823 -29.918 1.00 0.00 C ATOM 1014 C THR A 71 24.585 20.832 -30.000 1.00 0.00 C ATOM 1015 O THR A 71 23.743 20.906 -29.107 1.00 0.00 O ATOM 1016 CB THR A 71 25.252 18.491 -30.532 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.022 18.654 -31.937 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.976 18.005 -29.859 1.00 0.00 C ATOM 0 H THR A 71 25.546 20.052 -27.842 1.00 0.00 H new ATOM 0 HA THR A 71 26.578 20.194 -30.482 1.00 0.00 H new ATOM 0 HB THR A 71 26.034 17.748 -30.375 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.794 17.787 -32.334 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.663 17.063 -30.309 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.160 17.855 -28.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.190 18.748 -29.990 1.00 0.00 H new ATOM 1026 N THR A 72 24.563 21.601 -31.081 1.00 0.00 N ATOM 1027 CA THR A 72 23.525 22.601 -31.282 1.00 0.00 C ATOM 1028 C THR A 72 22.569 22.170 -32.390 1.00 0.00 C ATOM 1029 O THR A 72 22.344 22.906 -33.351 1.00 0.00 O ATOM 1030 CB THR A 72 24.126 23.971 -31.645 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.244 23.799 -32.524 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.571 24.714 -30.394 1.00 0.00 C ATOM 0 H THR A 72 25.252 21.551 -31.831 1.00 0.00 H new ATOM 0 HA THR A 72 22.981 22.692 -30.342 1.00 0.00 H new ATOM 0 HB THR A 72 23.357 24.559 -32.146 1.00 0.00 H new ATOM 0 HG1 THR A 72 25.619 24.675 -32.751 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.992 25.679 -30.675 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.714 24.869 -29.739 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.326 24.127 -29.871 1.00 0.00 H new ATOM 1040 N GLU A 73 22.018 20.966 -32.258 1.00 0.00 N ATOM 1041 CA GLU A 73 21.098 20.430 -33.256 1.00 0.00 C ATOM 1042 C GLU A 73 19.654 20.463 -32.762 1.00 0.00 C ATOM 1043 O GLU A 73 18.760 20.944 -33.458 1.00 0.00 O ATOM 1044 CB GLU A 73 21.490 18.995 -33.617 1.00 0.00 C ATOM 1045 CG GLU A 73 22.893 18.870 -34.189 1.00 0.00 C ATOM 1046 CD GLU A 73 22.949 19.174 -35.673 1.00 0.00 C ATOM 1047 OE1 GLU A 73 22.618 18.277 -36.477 1.00 0.00 O ATOM 1048 OE2 GLU A 73 23.328 20.309 -36.033 1.00 0.00 O ATOM 0 H GLU A 73 22.193 20.343 -31.469 1.00 0.00 H new ATOM 0 HA GLU A 73 21.166 21.060 -34.143 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.414 18.372 -32.726 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.776 18.604 -34.342 1.00 0.00 H new ATOM 0 HG2 GLU A 73 23.559 19.550 -33.658 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.263 17.860 -34.015 1.00 0.00 H new ATOM 1055 N GLY A 74 19.433 19.940 -31.563 1.00 0.00 N ATOM 1056 CA GLY A 74 18.095 19.910 -31.002 1.00 0.00 C ATOM 1057 C GLY A 74 17.941 20.823 -29.804 1.00 0.00 C ATOM 1058 O GLY A 74 17.794 20.359 -28.673 1.00 0.00 O ATOM 0 H GLY A 74 20.156 19.536 -30.968 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.378 20.201 -31.769 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.852 18.889 -30.709 1.00 0.00 H new ATOM 1122 N HIS A 79 23.282 27.890 -27.753 1.00 0.00 N ATOM 1123 CA HIS A 79 24.536 27.392 -27.199 1.00 0.00 C ATOM 1124 C HIS A 79 24.590 25.868 -27.254 1.00 0.00 C ATOM 1125 O HIS A 79 23.568 25.206 -27.434 1.00 0.00 O ATOM 1126 CB HIS A 79 24.712 27.862 -25.752 1.00 0.00 C ATOM 1127 CG HIS A 79 23.605 28.747 -25.264 1.00 0.00 C ATOM 1128 ND1 HIS A 79 23.337 29.986 -25.807 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.695 28.566 -24.277 1.00 0.00 C ATOM 1130 CE1 HIS A 79 22.312 30.528 -25.175 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.903 29.687 -24.243 1.00 0.00 N ATOM 0 HA HIS A 79 25.348 27.793 -27.805 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.780 26.989 -25.102 1.00 0.00 H new ATOM 0 HB3 HIS A 79 25.657 28.398 -25.666 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.609 27.701 -23.636 1.00 0.00 H new ATOM 0 HE1 HIS A 79 21.881 31.496 -25.385 1.00 0.00 H new ATOM 0 HE2 HIS A 79 21.125 29.844 -23.602 1.00 0.00 H new ATOM 1140 N LEU A 80 25.790 25.319 -27.093 1.00 0.00 N ATOM 1141 CA LEU A 80 25.983 23.875 -27.117 1.00 0.00 C ATOM 1142 C LEU A 80 25.242 23.213 -25.962 1.00 0.00 C ATOM 1143 O LEU A 80 25.453 23.558 -24.801 1.00 0.00 O ATOM 1144 CB LEU A 80 27.474 23.545 -27.027 1.00 0.00 C ATOM 1145 CG LEU A 80 28.246 23.661 -28.342 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.063 25.042 -28.951 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.722 23.366 -28.117 1.00 0.00 C ATOM 0 H LEU A 80 26.645 25.855 -26.944 1.00 0.00 H new ATOM 0 HA LEU A 80 25.582 23.491 -28.055 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.933 24.209 -26.295 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.583 22.529 -26.649 1.00 0.00 H new ATOM 0 HG LEU A 80 27.849 22.925 -29.041 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.620 25.104 -29.886 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.005 25.216 -29.147 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.433 25.797 -28.258 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.258 23.452 -29.062 1.00 0.00 H new ATOM 0 HD22 LEU A 80 30.131 24.079 -27.401 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.836 22.355 -27.727 1.00 0.00 H new ATOM 1159 N TRP A 81 24.376 22.259 -26.285 1.00 0.00 N ATOM 1160 CA TRP A 81 23.604 21.556 -25.268 1.00 0.00 C ATOM 1161 C TRP A 81 23.994 20.084 -25.193 1.00 0.00 C ATOM 1162 O TRP A 81 24.236 19.440 -26.214 1.00 0.00 O ATOM 1163 CB TRP A 81 22.111 21.679 -25.562 1.00 0.00 C ATOM 1164 CG TRP A 81 21.706 21.005 -26.835 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.512 21.598 -28.048 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.449 19.609 -27.024 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.146 20.658 -28.980 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.101 19.429 -28.376 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.479 18.493 -26.181 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.785 18.179 -28.903 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.165 17.254 -26.707 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.823 17.105 -28.057 1.00 0.00 C ATOM 0 H TRP A 81 24.191 21.955 -27.241 1.00 0.00 H new ATOM 0 HA TRP A 81 23.824 22.017 -24.305 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.547 21.248 -24.735 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.843 22.734 -25.615 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.629 22.653 -28.247 1.00 0.00 H new ATOM 0 HE1 TRP A 81 20.941 20.844 -29.962 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.743 18.598 -25.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.519 18.062 -29.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.184 16.385 -26.066 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.585 16.123 -28.437 1.00 0.00 H new ATOM 1183 N CYS A 82 24.041 19.558 -23.975 1.00 0.00 N ATOM 1184 CA CYS A 82 24.388 18.159 -23.754 1.00 0.00 C ATOM 1185 C CYS A 82 23.337 17.484 -22.879 1.00 0.00 C ATOM 1186 O CYS A 82 22.414 18.137 -22.392 1.00 0.00 O ATOM 1187 CB CYS A 82 25.769 18.048 -23.108 1.00 0.00 C ATOM 1188 SG CYS A 82 25.761 18.206 -21.293 1.00 0.00 S ATOM 0 H CYS A 82 23.842 20.081 -23.122 1.00 0.00 H new ATOM 0 HA CYS A 82 24.415 17.652 -24.718 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.206 17.086 -23.376 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.416 18.820 -23.526 1.00 0.00 H new ATOM 1193 N SER A 83 23.475 16.177 -22.681 1.00 0.00 N ATOM 1194 CA SER A 83 22.523 15.433 -21.863 1.00 0.00 C ATOM 1195 C SER A 83 23.161 14.985 -20.553 1.00 0.00 C ATOM 1196 O SER A 83 24.335 14.627 -20.518 1.00 0.00 O ATOM 1197 CB SER A 83 21.995 14.221 -22.632 1.00 0.00 C ATOM 1198 OG SER A 83 21.694 13.155 -21.752 1.00 0.00 O ATOM 0 H SER A 83 24.231 15.614 -23.072 1.00 0.00 H new ATOM 0 HA SER A 83 21.689 16.095 -21.629 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.101 14.501 -23.190 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.737 13.897 -23.361 1.00 0.00 H new ATOM 0 HG SER A 83 21.340 12.398 -22.264 1.00 0.00 H new ATOM 1204 N THR A 84 22.379 15.008 -19.478 1.00 0.00 N ATOM 1205 CA THR A 84 22.875 14.602 -18.167 1.00 0.00 C ATOM 1206 C THR A 84 22.511 13.153 -17.862 1.00 0.00 C ATOM 1207 O THR A 84 22.986 12.577 -16.884 1.00 0.00 O ATOM 1208 CB THR A 84 22.319 15.505 -17.050 1.00 0.00 C ATOM 1209 OG1 THR A 84 21.055 15.007 -16.598 1.00 0.00 O ATOM 1210 CG2 THR A 84 22.157 16.936 -17.540 1.00 0.00 C ATOM 0 H THR A 84 21.402 15.302 -19.488 1.00 0.00 H new ATOM 0 HA THR A 84 23.960 14.701 -18.198 1.00 0.00 H new ATOM 0 HB THR A 84 23.029 15.498 -16.223 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.710 15.587 -15.887 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.763 17.554 -16.733 1.00 0.00 H new ATOM 0 HG22 THR A 84 23.125 17.324 -17.855 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.466 16.956 -18.383 1.00 0.00 H new ATOM 1218 N THR A 85 21.668 12.569 -18.707 1.00 0.00 N ATOM 1219 CA THR A 85 21.242 11.187 -18.530 1.00 0.00 C ATOM 1220 C THR A 85 21.148 10.476 -19.882 1.00 0.00 C ATOM 1221 O THR A 85 20.988 11.116 -20.922 1.00 0.00 O ATOM 1222 CB THR A 85 19.891 11.121 -17.770 1.00 0.00 C ATOM 1223 OG1 THR A 85 20.126 10.821 -16.390 1.00 0.00 O ATOM 1224 CG2 THR A 85 18.941 10.081 -18.355 1.00 0.00 C ATOM 0 H THR A 85 21.266 13.033 -19.522 1.00 0.00 H new ATOM 0 HA THR A 85 21.990 10.671 -17.928 1.00 0.00 H new ATOM 0 HB THR A 85 19.417 12.097 -17.874 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.271 10.782 -15.913 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.011 10.076 -17.786 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.728 10.327 -19.395 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.403 9.095 -18.302 1.00 0.00 H new ATOM 1232 N SER A 86 21.255 9.153 -19.860 1.00 0.00 N ATOM 1233 CA SER A 86 21.193 8.360 -21.082 1.00 0.00 C ATOM 1234 C SER A 86 19.957 8.702 -21.908 1.00 0.00 C ATOM 1235 O SER A 86 20.066 9.140 -23.053 1.00 0.00 O ATOM 1236 CB SER A 86 21.192 6.866 -20.745 1.00 0.00 C ATOM 1237 OG SER A 86 22.474 6.297 -20.949 1.00 0.00 O ATOM 0 H SER A 86 21.385 8.606 -19.009 1.00 0.00 H new ATOM 0 HA SER A 86 22.076 8.598 -21.675 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.888 6.724 -19.708 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.459 6.350 -21.365 1.00 0.00 H new ATOM 0 HG SER A 86 22.448 5.343 -20.725 1.00 0.00 H new ATOM 1243 N ASN A 87 18.785 8.486 -21.323 1.00 0.00 N ATOM 1244 CA ASN A 87 17.525 8.757 -22.006 1.00 0.00 C ATOM 1245 C ASN A 87 17.180 10.244 -21.989 1.00 0.00 C ATOM 1246 O ASN A 87 16.519 10.723 -21.068 1.00 0.00 O ATOM 1247 CB ASN A 87 16.397 7.958 -21.355 1.00 0.00 C ATOM 1248 CG ASN A 87 15.650 7.092 -22.351 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.238 5.976 -22.035 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.472 7.605 -23.562 1.00 0.00 N ATOM 0 H ASN A 87 18.680 8.123 -20.375 1.00 0.00 H new ATOM 0 HA ASN A 87 17.640 8.452 -23.046 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.810 7.327 -20.568 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.697 8.645 -20.879 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.976 7.070 -24.275 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.831 8.535 -23.780 1.00 0.00 H new ATOM 1257 N TYR A 88 17.617 10.967 -23.016 1.00 0.00 N ATOM 1258 CA TYR A 88 17.336 12.393 -23.115 1.00 0.00 C ATOM 1259 C TYR A 88 15.925 12.624 -23.642 1.00 0.00 C ATOM 1260 O TYR A 88 15.282 13.621 -23.315 1.00 0.00 O ATOM 1261 CB TYR A 88 18.348 13.079 -24.032 1.00 0.00 C ATOM 1262 CG TYR A 88 17.938 14.476 -24.441 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.749 15.470 -23.488 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.736 14.800 -25.776 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.372 16.746 -23.855 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.359 16.075 -26.151 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.179 17.045 -25.187 1.00 0.00 C ATOM 1268 OH TYR A 88 16.803 18.316 -25.557 1.00 0.00 O ATOM 0 H TYR A 88 18.165 10.589 -23.789 1.00 0.00 H new ATOM 0 HA TYR A 88 17.417 12.823 -22.117 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.313 13.125 -23.526 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.486 12.472 -24.927 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.900 15.240 -22.444 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.876 14.043 -26.533 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.229 17.507 -23.102 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.206 16.311 -27.194 1.00 0.00 H new ATOM 0 HH TYR A 88 17.161 18.963 -24.914 1.00 0.00 H new ATOM 1278 N GLU A 89 15.451 11.691 -24.462 1.00 0.00 N ATOM 1279 CA GLU A 89 14.118 11.787 -25.037 1.00 0.00 C ATOM 1280 C GLU A 89 13.073 11.209 -24.087 1.00 0.00 C ATOM 1281 O GLU A 89 11.925 10.986 -24.473 1.00 0.00 O ATOM 1282 CB GLU A 89 14.069 11.053 -26.378 1.00 0.00 C ATOM 1283 CG GLU A 89 14.690 11.835 -27.524 1.00 0.00 C ATOM 1284 CD GLU A 89 13.729 12.834 -28.138 1.00 0.00 C ATOM 1285 OE1 GLU A 89 12.810 13.288 -27.425 1.00 0.00 O ATOM 1286 OE2 GLU A 89 13.896 13.161 -29.331 1.00 0.00 O ATOM 0 H GLU A 89 15.972 10.860 -24.742 1.00 0.00 H new ATOM 0 HA GLU A 89 13.891 12.841 -25.198 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.586 10.098 -26.279 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.031 10.830 -26.623 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.573 12.361 -27.163 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.026 11.140 -28.293 1.00 0.00 H new ATOM 1293 N GLN A 90 13.478 10.969 -22.845 1.00 0.00 N ATOM 1294 CA GLN A 90 12.576 10.417 -21.839 1.00 0.00 C ATOM 1295 C GLN A 90 12.648 11.223 -20.544 1.00 0.00 C ATOM 1296 O GLN A 90 11.632 11.461 -19.893 1.00 0.00 O ATOM 1297 CB GLN A 90 12.918 8.947 -21.568 1.00 0.00 C ATOM 1298 CG GLN A 90 12.527 8.470 -20.177 1.00 0.00 C ATOM 1299 CD GLN A 90 11.025 8.376 -19.992 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.306 7.910 -20.876 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.542 8.820 -18.837 1.00 0.00 N ATOM 0 H GLN A 90 14.425 11.148 -22.510 1.00 0.00 H new ATOM 0 HA GLN A 90 11.558 10.477 -22.224 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.417 8.325 -22.309 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.990 8.803 -21.703 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.974 7.493 -19.994 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.939 9.153 -19.434 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.174 9.199 -18.132 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.539 8.782 -18.655 1.00 0.00 H new ATOM 1310 N ASP A 91 13.855 11.637 -20.179 1.00 0.00 N ATOM 1311 CA ASP A 91 14.060 12.413 -18.961 1.00 0.00 C ATOM 1312 C ASP A 91 13.992 13.909 -19.249 1.00 0.00 C ATOM 1313 O ASP A 91 13.670 14.706 -18.368 1.00 0.00 O ATOM 1314 CB ASP A 91 15.410 12.066 -18.331 1.00 0.00 C ATOM 1315 CG ASP A 91 15.441 10.660 -17.767 1.00 0.00 C ATOM 1316 OD1 ASP A 91 15.003 10.474 -16.612 1.00 0.00 O ATOM 1317 OD2 ASP A 91 15.904 9.744 -18.480 1.00 0.00 O ATOM 0 H ASP A 91 14.707 11.449 -20.708 1.00 0.00 H new ATOM 0 HA ASP A 91 13.263 12.159 -18.262 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.195 12.171 -19.080 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.630 12.778 -17.536 1.00 0.00 H new ATOM 1322 N GLN A 92 14.302 14.285 -20.485 1.00 0.00 N ATOM 1323 CA GLN A 92 14.280 15.687 -20.885 1.00 0.00 C ATOM 1324 C GLN A 92 15.064 16.542 -19.896 1.00 0.00 C ATOM 1325 O GLN A 92 14.568 17.553 -19.399 1.00 0.00 O ATOM 1326 CB GLN A 92 12.839 16.191 -20.984 1.00 0.00 C ATOM 1327 CG GLN A 92 12.680 17.398 -21.895 1.00 0.00 C ATOM 1328 CD GLN A 92 13.210 17.145 -23.294 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.921 17.976 -23.859 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.865 15.994 -23.858 1.00 0.00 N ATOM 0 H GLN A 92 14.571 13.639 -21.227 1.00 0.00 H new ATOM 0 HA GLN A 92 14.751 15.768 -21.865 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.204 15.384 -21.350 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.483 16.449 -19.987 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.626 17.669 -21.953 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.204 18.249 -21.460 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.274 15.335 -23.352 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.191 15.768 -24.798 1.00 0.00 H new ATOM 1339 N LYS A 93 16.298 16.130 -19.622 1.00 0.00 N ATOM 1340 CA LYS A 93 17.163 16.857 -18.701 1.00 0.00 C ATOM 1341 C LYS A 93 18.535 17.088 -19.331 1.00 0.00 C ATOM 1342 O LYS A 93 19.473 16.321 -19.125 1.00 0.00 O ATOM 1343 CB LYS A 93 17.272 16.121 -17.352 1.00 0.00 C ATOM 1344 CG LYS A 93 18.145 14.870 -17.352 1.00 0.00 C ATOM 1345 CD LYS A 93 17.736 13.881 -18.432 1.00 0.00 C ATOM 1346 CE LYS A 93 18.683 13.932 -19.621 1.00 0.00 C ATOM 1347 NZ LYS A 93 18.725 12.639 -20.356 1.00 0.00 N ATOM 0 H LYS A 93 16.721 15.295 -20.026 1.00 0.00 H new ATOM 0 HA LYS A 93 16.719 17.832 -18.502 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.665 16.816 -16.610 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.269 15.842 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.186 15.156 -17.500 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.083 14.386 -16.377 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.724 12.873 -18.018 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.721 14.102 -18.764 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.370 14.725 -20.300 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.685 14.185 -19.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.877 12.820 -21.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.503 12.056 -19.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.824 12.136 -20.226 1.00 0.00 H new ATOM 1361 N TYR A 94 18.631 18.148 -20.125 1.00 0.00 N ATOM 1362 CA TYR A 94 19.871 18.480 -20.813 1.00 0.00 C ATOM 1363 C TYR A 94 20.601 19.633 -20.135 1.00 0.00 C ATOM 1364 O TYR A 94 20.096 20.238 -19.189 1.00 0.00 O ATOM 1365 CB TYR A 94 19.574 18.852 -22.267 1.00 0.00 C ATOM 1366 CG TYR A 94 18.887 20.193 -22.417 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.564 21.377 -22.148 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.561 20.274 -22.824 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.939 22.603 -22.281 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.929 21.497 -22.960 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.622 22.658 -22.686 1.00 0.00 C ATOM 1372 OH TYR A 94 16.997 23.875 -22.820 1.00 0.00 O ATOM 0 H TYR A 94 17.862 18.793 -20.308 1.00 0.00 H new ATOM 0 HA TYR A 94 20.516 17.602 -20.775 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.508 18.866 -22.829 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.947 18.079 -22.711 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.595 21.338 -21.830 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.015 19.367 -23.038 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.480 23.513 -22.069 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.898 21.543 -23.279 1.00 0.00 H new ATOM 0 HH TYR A 94 16.072 23.737 -23.114 1.00 0.00 H new ATOM 1382 N SER A 95 21.790 19.935 -20.644 1.00 0.00 N ATOM 1383 CA SER A 95 22.605 21.021 -20.118 1.00 0.00 C ATOM 1384 C SER A 95 23.202 21.827 -21.266 1.00 0.00 C ATOM 1385 O SER A 95 22.727 21.749 -22.398 1.00 0.00 O ATOM 1386 CB SER A 95 23.720 20.471 -19.226 1.00 0.00 C ATOM 1387 OG SER A 95 23.590 19.071 -19.053 1.00 0.00 O ATOM 0 H SER A 95 22.213 19.437 -21.427 1.00 0.00 H new ATOM 0 HA SER A 95 21.971 21.673 -19.517 1.00 0.00 H new ATOM 0 HB2 SER A 95 24.690 20.697 -19.669 1.00 0.00 H new ATOM 0 HB3 SER A 95 23.690 20.965 -18.255 1.00 0.00 H new ATOM 0 HG SER A 95 24.194 18.772 -18.342 1.00 0.00 H new ATOM 1393 N PHE A 96 24.246 22.596 -20.976 1.00 0.00 N ATOM 1394 CA PHE A 96 24.894 23.402 -22.003 1.00 0.00 C ATOM 1395 C PHE A 96 26.408 23.392 -21.839 1.00 0.00 C ATOM 1396 O PHE A 96 26.942 22.784 -20.913 1.00 0.00 O ATOM 1397 CB PHE A 96 24.378 24.841 -21.964 1.00 0.00 C ATOM 1398 CG PHE A 96 23.125 25.055 -22.765 1.00 0.00 C ATOM 1399 CD1 PHE A 96 23.182 25.198 -24.142 1.00 0.00 C ATOM 1400 CD2 PHE A 96 21.889 25.115 -22.141 1.00 0.00 C ATOM 1401 CE1 PHE A 96 22.031 25.394 -24.882 1.00 0.00 C ATOM 1402 CE2 PHE A 96 20.735 25.311 -22.876 1.00 0.00 C ATOM 1403 CZ PHE A 96 20.806 25.450 -24.248 1.00 0.00 C ATOM 0 H PHE A 96 24.658 22.678 -20.047 1.00 0.00 H new ATOM 0 HA PHE A 96 24.649 22.962 -22.970 1.00 0.00 H new ATOM 0 HB2 PHE A 96 24.189 25.122 -20.928 1.00 0.00 H new ATOM 0 HB3 PHE A 96 25.156 25.507 -22.338 1.00 0.00 H new ATOM 0 HD1 PHE A 96 24.138 25.156 -24.643 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.827 25.007 -21.068 1.00 0.00 H new ATOM 0 HE1 PHE A 96 22.090 25.503 -25.955 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.778 25.355 -22.377 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.905 25.602 -24.824 1.00 0.00 H new ATOM 1413 N CYS A 97 27.090 24.075 -22.750 1.00 0.00 N ATOM 1414 CA CYS A 97 28.546 24.158 -22.721 1.00 0.00 C ATOM 1415 C CYS A 97 29.032 25.376 -23.499 1.00 0.00 C ATOM 1416 O CYS A 97 29.362 25.280 -24.680 1.00 0.00 O ATOM 1417 CB CYS A 97 29.172 22.887 -23.302 1.00 0.00 C ATOM 1418 SG CYS A 97 28.023 21.480 -23.436 1.00 0.00 S ATOM 0 H CYS A 97 26.656 24.582 -23.522 1.00 0.00 H new ATOM 0 HA CYS A 97 28.856 24.259 -21.681 1.00 0.00 H new ATOM 0 HB2 CYS A 97 29.570 23.112 -24.292 1.00 0.00 H new ATOM 0 HB3 CYS A 97 30.016 22.594 -22.678 1.00 0.00 H new ATOM 1423 N THR A 98 29.066 26.519 -22.823 1.00 0.00 N ATOM 1424 CA THR A 98 29.506 27.769 -23.435 1.00 0.00 C ATOM 1425 C THR A 98 30.567 27.522 -24.502 1.00 0.00 C ATOM 1426 O THR A 98 30.417 27.939 -25.650 1.00 0.00 O ATOM 1427 CB THR A 98 30.068 28.747 -22.383 1.00 0.00 C ATOM 1428 OG1 THR A 98 31.238 29.399 -22.892 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.411 28.020 -21.091 1.00 0.00 C ATOM 0 H THR A 98 28.792 26.606 -21.844 1.00 0.00 H new ATOM 0 HA THR A 98 28.627 28.214 -23.900 1.00 0.00 H new ATOM 0 HB THR A 98 29.300 29.491 -22.170 1.00 0.00 H new ATOM 0 HG1 THR A 98 31.586 30.019 -22.218 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.805 28.732 -20.366 1.00 0.00 H new ATOM 0 HG22 THR A 98 29.513 27.551 -20.688 1.00 0.00 H new ATOM 0 HG23 THR A 98 31.161 27.255 -21.292 1.00 0.00 H new