USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 454 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 29 TYR OH : rot 63:sc= -1.39 USER MOD Set 1.2: A 38 ASN : amide:sc= -6.49! C(o=-7.9!,f=-11!) USER MOD Set 2.1: A 17 THR OG1 : rot -170:sc= -0.677! USER MOD Set 2.2: A 51 GLN : amide:sc= -0.124 K(o=-0.8,f=-2.2!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -1.32! (180deg=-1.95!) USER MOD Single : A 11 HIS : no HE2:sc= -0.48 X(o=-0.48,f=-0.48) USER MOD Single : A 12 THR OG1 : rot 162:sc= -12.1! USER MOD Single : A 14 ASN : amide:sc= -0.63 K(o=-0.63,f=-4.5!) USER MOD Single : A 15 SER OG : rot 63:sc= -3.54! USER MOD Single : A 18 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= 1.22 (180deg=1.08) USER MOD Single : A 24 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0773) USER MOD Single : A 25 THR OG1 : rot 152:sc= -4.17! USER MOD Single : A 31 ASN :FLIP amide:sc= -0.844! F(o=-1.6,f=-0.84!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -85:sc= 0.938 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 40:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 7.902 -10.303 0.463 1.00 0.00 N ATOM 33 CA VAL A 3 6.428 -10.097 0.519 1.00 0.00 C ATOM 34 C VAL A 3 5.954 -10.288 1.961 1.00 0.00 C ATOM 35 O VAL A 3 4.947 -9.747 2.374 1.00 0.00 O ATOM 36 CB VAL A 3 5.727 -11.112 -0.388 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.411 -10.520 -0.890 1.00 0.00 C ATOM 38 CG2 VAL A 3 6.624 -11.440 -1.584 1.00 0.00 C ATOM 0 HA VAL A 3 6.187 -9.090 0.179 1.00 0.00 H new ATOM 0 HB VAL A 3 5.528 -12.023 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.911 -11.241 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.769 -10.287 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.613 -9.608 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.122 -12.163 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.825 -10.529 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.564 -11.862 -1.229 1.00 0.00 H new ATOM 48 N GLU A 4 6.676 -11.057 2.732 1.00 0.00 N ATOM 49 CA GLU A 4 6.276 -11.289 4.151 1.00 0.00 C ATOM 50 C GLU A 4 6.366 -9.980 4.932 1.00 0.00 C ATOM 51 O GLU A 4 5.476 -9.633 5.681 1.00 0.00 O ATOM 52 CB GLU A 4 7.215 -12.317 4.783 1.00 0.00 C ATOM 53 CG GLU A 4 6.701 -13.729 4.493 1.00 0.00 C ATOM 54 CD GLU A 4 5.945 -14.258 5.713 1.00 0.00 C ATOM 55 OE1 GLU A 4 4.854 -13.775 5.966 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.471 -15.139 6.374 1.00 0.00 O ATOM 0 H GLU A 4 7.528 -11.536 2.439 1.00 0.00 H new ATOM 0 HA GLU A 4 5.251 -11.660 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.223 -12.197 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.276 -12.155 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.045 -13.717 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.535 -14.389 4.254 1.00 0.00 H new ATOM 63 N SER A 5 7.435 -9.253 4.768 1.00 0.00 N ATOM 64 CA SER A 5 7.579 -7.966 5.505 1.00 0.00 C ATOM 65 C SER A 5 6.713 -6.905 4.833 1.00 0.00 C ATOM 66 O SER A 5 5.993 -6.174 5.485 1.00 0.00 O ATOM 67 CB SER A 5 9.041 -7.523 5.489 1.00 0.00 C ATOM 68 OG SER A 5 9.102 -6.104 5.470 1.00 0.00 O ATOM 0 H SER A 5 8.215 -9.493 4.156 1.00 0.00 H new ATOM 0 HA SER A 5 7.259 -8.099 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.559 -7.909 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.547 -7.932 4.615 1.00 0.00 H new ATOM 0 HG SER A 5 10.039 -5.817 5.461 1.00 0.00 H new ATOM 74 N CYS A 6 6.762 -6.823 3.534 1.00 0.00 N ATOM 75 CA CYS A 6 5.923 -5.816 2.830 1.00 0.00 C ATOM 76 C CYS A 6 4.480 -5.979 3.302 1.00 0.00 C ATOM 77 O CYS A 6 3.701 -5.047 3.297 1.00 0.00 O ATOM 78 CB CYS A 6 6.003 -6.041 1.318 1.00 0.00 C ATOM 79 SG CYS A 6 5.650 -4.488 0.460 1.00 0.00 S ATOM 0 H CYS A 6 7.343 -7.406 2.932 1.00 0.00 H new ATOM 0 HA CYS A 6 6.279 -4.810 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.994 -6.403 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.289 -6.807 1.015 1.00 0.00 H new ATOM 84 N LEU A 7 4.124 -7.161 3.725 1.00 0.00 N ATOM 85 CA LEU A 7 2.742 -7.389 4.217 1.00 0.00 C ATOM 86 C LEU A 7 2.730 -7.227 5.737 1.00 0.00 C ATOM 87 O LEU A 7 1.736 -6.853 6.326 1.00 0.00 O ATOM 88 CB LEU A 7 2.287 -8.796 3.836 1.00 0.00 C ATOM 89 CG LEU A 7 2.322 -8.945 2.314 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.172 -10.422 1.941 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.173 -8.144 1.698 1.00 0.00 C ATOM 0 H LEU A 7 4.734 -7.978 3.750 1.00 0.00 H new ATOM 0 HA LEU A 7 2.061 -6.667 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.936 -9.538 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.278 -8.977 4.207 1.00 0.00 H new ATOM 0 HG LEU A 7 3.272 -8.570 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.197 -10.528 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.990 -10.993 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.222 -10.798 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.197 -8.249 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.223 -8.519 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.280 -7.092 1.963 1.00 0.00 H new ATOM 103 N ALA A 8 3.846 -7.468 6.373 1.00 0.00 N ATOM 104 CA ALA A 8 3.913 -7.284 7.851 1.00 0.00 C ATOM 105 C ALA A 8 3.724 -5.793 8.142 1.00 0.00 C ATOM 106 O ALA A 8 3.481 -5.385 9.260 1.00 0.00 O ATOM 107 CB ALA A 8 5.274 -7.751 8.373 1.00 0.00 C ATOM 0 H ALA A 8 4.711 -7.783 5.934 1.00 0.00 H new ATOM 0 HA ALA A 8 3.138 -7.870 8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.316 -7.614 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.412 -8.806 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.064 -7.167 7.902 1.00 0.00 H new ATOM 113 N LYS A 9 3.823 -4.992 7.112 1.00 0.00 N ATOM 114 CA LYS A 9 3.636 -3.524 7.232 1.00 0.00 C ATOM 115 C LYS A 9 2.362 -3.249 8.059 1.00 0.00 C ATOM 116 O LYS A 9 1.709 -4.181 8.485 1.00 0.00 O ATOM 117 CB LYS A 9 3.507 -3.004 5.794 1.00 0.00 C ATOM 118 CG LYS A 9 4.877 -3.085 5.116 1.00 0.00 C ATOM 119 CD LYS A 9 4.815 -2.414 3.744 1.00 0.00 C ATOM 120 CE LYS A 9 5.988 -1.443 3.600 1.00 0.00 C ATOM 121 NZ LYS A 9 6.067 -0.572 4.808 1.00 0.00 N ATOM 0 H LYS A 9 4.032 -5.310 6.166 1.00 0.00 H new ATOM 0 HA LYS A 9 4.462 -3.027 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.777 -3.597 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.147 -1.975 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.629 -2.597 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.179 -4.127 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.853 -3.167 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.871 -1.881 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.919 -1.997 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.860 -0.832 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.671 0.250 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.113 -0.245 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.472 -1.112 5.599 1.00 0.00 H new ATOM 135 N PRO A 10 2.023 -1.993 8.272 1.00 0.00 N ATOM 136 CA PRO A 10 0.827 -1.642 9.059 1.00 0.00 C ATOM 137 C PRO A 10 -0.433 -1.955 8.251 1.00 0.00 C ATOM 138 O PRO A 10 -1.544 -1.829 8.729 1.00 0.00 O ATOM 139 CB PRO A 10 0.991 -0.148 9.342 1.00 0.00 C ATOM 140 CG PRO A 10 1.970 0.392 8.276 1.00 0.00 C ATOM 141 CD PRO A 10 2.759 -0.823 7.748 1.00 0.00 C ATOM 0 HA PRO A 10 0.727 -2.206 9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.032 0.366 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.381 0.017 10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.430 0.884 7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.643 1.133 8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.795 -0.831 6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.790 -0.811 8.101 1.00 0.00 H new ATOM 149 N HIS A 11 -0.253 -2.409 7.040 1.00 0.00 N ATOM 150 CA HIS A 11 -1.402 -2.797 6.183 1.00 0.00 C ATOM 151 C HIS A 11 -2.204 -1.600 5.692 1.00 0.00 C ATOM 152 O HIS A 11 -3.264 -1.322 6.206 1.00 0.00 O ATOM 153 CB HIS A 11 -2.347 -3.717 6.953 1.00 0.00 C ATOM 154 CG HIS A 11 -2.178 -5.129 6.464 1.00 0.00 C ATOM 155 ND1 HIS A 11 -0.958 -5.786 6.507 1.00 0.00 N ATOM 156 CD2 HIS A 11 -3.067 -6.024 5.921 1.00 0.00 C ATOM 157 CE1 HIS A 11 -1.144 -7.019 6.003 1.00 0.00 C ATOM 158 NE2 HIS A 11 -2.411 -7.217 5.630 1.00 0.00 N ATOM 0 H HIS A 11 0.661 -2.528 6.604 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.978 -3.305 5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.135 -3.663 8.021 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.379 -3.394 6.816 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -0.079 -5.404 6.857 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.115 -5.832 5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.363 -7.759 5.911 1.00 0.00 H new ATOM 166 N THR A 12 -1.746 -0.947 4.656 1.00 0.00 N ATOM 167 CA THR A 12 -2.531 0.174 4.058 1.00 0.00 C ATOM 168 C THR A 12 -2.277 1.523 4.733 1.00 0.00 C ATOM 169 O THR A 12 -1.878 2.463 4.076 1.00 0.00 O ATOM 170 CB THR A 12 -4.027 -0.210 4.086 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.617 0.006 2.821 1.00 0.00 O ATOM 172 CG2 THR A 12 -4.805 0.586 5.143 1.00 0.00 C ATOM 0 H THR A 12 -0.857 -1.143 4.196 1.00 0.00 H new ATOM 0 HA THR A 12 -2.200 0.314 3.029 1.00 0.00 H new ATOM 0 HB THR A 12 -4.077 -1.268 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.457 -0.495 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.852 0.284 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.385 0.389 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.731 1.651 4.924 1.00 0.00 H new ATOM 180 N GLU A 13 -2.528 1.663 6.002 1.00 0.00 N ATOM 181 CA GLU A 13 -2.313 2.999 6.626 1.00 0.00 C ATOM 182 C GLU A 13 -0.977 3.566 6.154 1.00 0.00 C ATOM 183 O GLU A 13 0.081 3.218 6.640 1.00 0.00 O ATOM 184 CB GLU A 13 -2.328 2.892 8.152 1.00 0.00 C ATOM 185 CG GLU A 13 -2.725 4.246 8.747 1.00 0.00 C ATOM 186 CD GLU A 13 -3.654 4.027 9.942 1.00 0.00 C ATOM 187 OE1 GLU A 13 -3.326 3.204 10.780 1.00 0.00 O ATOM 188 OE2 GLU A 13 -4.678 4.688 10.001 1.00 0.00 O ATOM 0 H GLU A 13 -2.866 0.929 6.625 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.121 3.665 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.032 2.122 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.345 2.595 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.835 4.792 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.223 4.854 7.992 1.00 0.00 H new ATOM 195 N ASN A 14 -1.036 4.429 5.184 1.00 0.00 N ATOM 196 CA ASN A 14 0.192 5.035 4.617 1.00 0.00 C ATOM 197 C ASN A 14 -0.202 5.736 3.323 1.00 0.00 C ATOM 198 O ASN A 14 -1.356 6.069 3.120 1.00 0.00 O ATOM 199 CB ASN A 14 1.214 3.936 4.316 1.00 0.00 C ATOM 200 CG ASN A 14 2.373 4.027 5.310 1.00 0.00 C ATOM 201 OD1 ASN A 14 2.348 4.836 6.216 1.00 0.00 O ATOM 202 ND2 ASN A 14 3.394 3.225 5.180 1.00 0.00 N ATOM 0 H ASN A 14 -1.904 4.746 4.752 1.00 0.00 H new ATOM 0 HA ASN A 14 0.636 5.741 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.740 2.957 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.586 4.041 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.171 3.277 5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.415 2.546 4.419 1.00 0.00 H new ATOM 209 N SER A 15 0.720 5.962 2.437 1.00 0.00 N ATOM 210 CA SER A 15 0.339 6.631 1.174 1.00 0.00 C ATOM 211 C SER A 15 1.560 6.791 0.279 1.00 0.00 C ATOM 212 O SER A 15 2.670 6.461 0.649 1.00 0.00 O ATOM 213 CB SER A 15 -0.238 8.004 1.501 1.00 0.00 C ATOM 214 OG SER A 15 -0.189 8.828 0.345 1.00 0.00 O ATOM 0 H SER A 15 1.706 5.716 2.531 1.00 0.00 H new ATOM 0 HA SER A 15 -0.403 6.028 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.267 7.905 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.327 8.464 2.312 1.00 0.00 H new ATOM 0 HG SER A 15 -0.755 8.443 -0.356 1.00 0.00 H new ATOM 220 N PHE A 16 1.359 7.297 -0.902 1.00 0.00 N ATOM 221 CA PHE A 16 2.498 7.484 -1.833 1.00 0.00 C ATOM 222 C PHE A 16 2.050 8.392 -2.983 1.00 0.00 C ATOM 223 O PHE A 16 0.880 8.690 -3.120 1.00 0.00 O ATOM 224 CB PHE A 16 2.923 6.121 -2.376 1.00 0.00 C ATOM 225 CG PHE A 16 4.137 6.293 -3.248 1.00 0.00 C ATOM 226 CD1 PHE A 16 5.393 6.520 -2.671 1.00 0.00 C ATOM 227 CD2 PHE A 16 4.006 6.236 -4.635 1.00 0.00 C ATOM 228 CE1 PHE A 16 6.516 6.690 -3.487 1.00 0.00 C ATOM 229 CE2 PHE A 16 5.127 6.405 -5.451 1.00 0.00 C ATOM 230 CZ PHE A 16 6.384 6.633 -4.879 1.00 0.00 C ATOM 0 H PHE A 16 0.451 7.590 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 16 3.341 7.943 -1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.145 5.441 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.110 5.674 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.494 6.564 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.037 6.061 -5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.485 6.865 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.024 6.360 -6.525 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.250 6.765 -5.511 1.00 0.00 H new ATOM 240 N THR A 17 2.955 8.845 -3.809 1.00 0.00 N ATOM 241 CA THR A 17 2.534 9.737 -4.932 1.00 0.00 C ATOM 242 C THR A 17 2.895 9.105 -6.277 1.00 0.00 C ATOM 243 O THR A 17 3.384 8.002 -6.340 1.00 0.00 O ATOM 244 CB THR A 17 3.193 11.116 -4.793 1.00 0.00 C ATOM 245 OG1 THR A 17 3.618 11.569 -6.070 1.00 0.00 O ATOM 246 CG2 THR A 17 4.400 11.035 -3.853 1.00 0.00 C ATOM 0 H THR A 17 3.953 8.641 -3.758 1.00 0.00 H new ATOM 0 HA THR A 17 1.452 9.864 -4.889 1.00 0.00 H new ATOM 0 HB THR A 17 2.467 11.814 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.175 12.368 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.858 12.020 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.073 10.696 -2.870 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.128 10.331 -4.256 1.00 0.00 H new ATOM 254 N ASN A 18 2.623 9.775 -7.364 1.00 0.00 N ATOM 255 CA ASN A 18 2.928 9.164 -8.687 1.00 0.00 C ATOM 256 C ASN A 18 2.162 7.843 -8.781 1.00 0.00 C ATOM 257 O ASN A 18 2.475 6.976 -9.572 1.00 0.00 O ATOM 258 CB ASN A 18 4.431 8.905 -8.807 1.00 0.00 C ATOM 259 CG ASN A 18 5.120 10.150 -9.372 1.00 0.00 C ATOM 260 OD1 ASN A 18 4.516 10.915 -10.099 1.00 0.00 O ATOM 261 ND2 ASN A 18 6.366 10.387 -9.069 1.00 0.00 N ATOM 0 H ASN A 18 2.208 10.706 -7.393 1.00 0.00 H new ATOM 0 HA ASN A 18 2.630 9.834 -9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.847 8.658 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.613 8.049 -9.457 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.833 11.214 -9.442 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.873 9.746 -8.459 1.00 0.00 H new ATOM 268 N VAL A 19 1.159 7.694 -7.955 1.00 0.00 N ATOM 269 CA VAL A 19 0.344 6.450 -7.945 1.00 0.00 C ATOM 270 C VAL A 19 0.054 5.974 -9.368 1.00 0.00 C ATOM 271 O VAL A 19 0.007 6.750 -10.302 1.00 0.00 O ATOM 272 CB VAL A 19 -0.977 6.752 -7.240 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.730 5.447 -6.972 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.691 7.464 -5.917 1.00 0.00 C ATOM 0 H VAL A 19 0.868 8.397 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 19 0.895 5.665 -7.427 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.590 7.393 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.672 5.667 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.932 4.943 -7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.123 4.800 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.631 7.682 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.077 6.823 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.160 8.396 -6.113 1.00 0.00 H new ATOM 284 N TRP A 20 -0.163 4.697 -9.530 1.00 0.00 N ATOM 285 CA TRP A 20 -0.478 4.149 -10.878 1.00 0.00 C ATOM 286 C TRP A 20 -1.644 3.162 -10.739 1.00 0.00 C ATOM 287 O TRP A 20 -2.115 2.897 -9.651 1.00 0.00 O ATOM 288 CB TRP A 20 0.774 3.457 -11.464 1.00 0.00 C ATOM 289 CG TRP A 20 0.725 1.969 -11.256 1.00 0.00 C ATOM 290 CD1 TRP A 20 0.032 1.099 -12.030 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.386 1.167 -10.235 1.00 0.00 C ATOM 292 NE1 TRP A 20 0.208 -0.179 -11.538 1.00 0.00 N ATOM 293 CE2 TRP A 20 1.041 -0.192 -10.436 1.00 0.00 C ATOM 294 CE3 TRP A 20 2.239 1.483 -9.161 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.526 -1.200 -9.604 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.730 0.469 -8.322 1.00 0.00 C ATOM 297 CH2 TRP A 20 2.374 -0.869 -8.544 1.00 0.00 C ATOM 0 H TRP A 20 -0.135 4.006 -8.780 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.767 4.948 -11.560 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.847 3.675 -12.529 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.670 3.863 -10.994 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.562 1.363 -12.893 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.224 -1.011 -11.939 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.518 2.511 -8.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.248 -2.229 -9.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.385 0.721 -7.501 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.755 -1.644 -7.895 1.00 0.00 H new ATOM 308 N LYS A 21 -2.101 2.606 -11.822 1.00 0.00 N ATOM 309 CA LYS A 21 -3.219 1.629 -11.735 1.00 0.00 C ATOM 310 C LYS A 21 -2.993 0.522 -12.759 1.00 0.00 C ATOM 311 O LYS A 21 -3.004 0.756 -13.952 1.00 0.00 O ATOM 312 CB LYS A 21 -4.552 2.319 -12.023 1.00 0.00 C ATOM 313 CG LYS A 21 -5.673 1.282 -11.941 1.00 0.00 C ATOM 314 CD LYS A 21 -6.474 1.281 -13.245 1.00 0.00 C ATOM 315 CE LYS A 21 -6.061 0.081 -14.099 1.00 0.00 C ATOM 316 NZ LYS A 21 -5.231 0.549 -15.246 1.00 0.00 N ATOM 0 H LYS A 21 -1.750 2.785 -12.763 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.249 1.210 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.725 3.120 -11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.534 2.777 -13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.253 0.292 -11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.329 1.508 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.541 1.236 -13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.299 2.207 -13.792 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.498 -0.632 -13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.946 -0.440 -14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.354 -0.099 -16.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.530 1.506 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.230 0.567 -14.965 1.00 0.00 H new ATOM 330 N ASP A 22 -2.782 -0.680 -12.310 1.00 0.00 N ATOM 331 CA ASP A 22 -2.549 -1.789 -13.260 1.00 0.00 C ATOM 332 C ASP A 22 -3.871 -2.487 -13.570 1.00 0.00 C ATOM 333 O ASP A 22 -4.616 -2.866 -12.677 1.00 0.00 O ATOM 334 CB ASP A 22 -1.583 -2.793 -12.633 1.00 0.00 C ATOM 335 CG ASP A 22 -0.258 -2.781 -13.397 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.280 -2.486 -14.580 1.00 0.00 O ATOM 337 OD2 ASP A 22 0.758 -3.068 -12.784 1.00 0.00 O ATOM 0 H ASP A 22 -2.761 -0.939 -11.324 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.124 -1.393 -14.183 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.412 -2.543 -11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.017 -3.792 -12.655 1.00 0.00 H new ATOM 342 N ASP A 23 -4.150 -2.680 -14.831 1.00 0.00 N ATOM 343 CA ASP A 23 -5.398 -3.383 -15.221 1.00 0.00 C ATOM 344 C ASP A 23 -5.163 -4.877 -15.017 1.00 0.00 C ATOM 345 O ASP A 23 -6.083 -5.656 -14.872 1.00 0.00 O ATOM 346 CB ASP A 23 -5.707 -3.102 -16.695 1.00 0.00 C ATOM 347 CG ASP A 23 -7.000 -3.814 -17.092 1.00 0.00 C ATOM 348 OD1 ASP A 23 -6.925 -4.976 -17.458 1.00 0.00 O ATOM 349 OD2 ASP A 23 -8.044 -3.186 -17.026 1.00 0.00 O ATOM 0 H ASP A 23 -3.562 -2.378 -15.608 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.240 -3.041 -14.620 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.806 -2.029 -16.858 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.884 -3.445 -17.322 1.00 0.00 H new ATOM 354 N LYS A 24 -3.917 -5.268 -14.981 1.00 0.00 N ATOM 355 CA LYS A 24 -3.576 -6.694 -14.760 1.00 0.00 C ATOM 356 C LYS A 24 -3.747 -6.986 -13.275 1.00 0.00 C ATOM 357 O LYS A 24 -4.506 -7.846 -12.877 1.00 0.00 O ATOM 358 CB LYS A 24 -2.119 -6.917 -15.160 1.00 0.00 C ATOM 359 CG LYS A 24 -2.058 -7.480 -16.582 1.00 0.00 C ATOM 360 CD LYS A 24 -2.762 -6.519 -17.543 1.00 0.00 C ATOM 361 CE LYS A 24 -2.837 -7.153 -18.934 1.00 0.00 C ATOM 362 NZ LYS A 24 -3.925 -8.171 -18.958 1.00 0.00 N ATOM 0 H LYS A 24 -3.115 -4.649 -15.097 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.217 -7.348 -15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.569 -5.978 -15.106 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.642 -7.607 -14.464 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.020 -7.619 -16.885 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.534 -8.460 -16.617 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.765 -6.294 -17.180 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.221 -5.574 -17.591 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.025 -6.386 -19.685 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.884 -7.618 -19.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.584 -9.033 -19.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.209 -8.399 -17.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.743 -7.793 -19.477 1.00 0.00 H new ATOM 376 N THR A 25 -3.062 -6.240 -12.452 1.00 0.00 N ATOM 377 CA THR A 25 -3.200 -6.431 -10.987 1.00 0.00 C ATOM 378 C THR A 25 -4.658 -6.173 -10.632 1.00 0.00 C ATOM 379 O THR A 25 -5.205 -6.750 -9.714 1.00 0.00 O ATOM 380 CB THR A 25 -2.302 -5.430 -10.252 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.595 -4.115 -10.699 1.00 0.00 O ATOM 382 CG2 THR A 25 -0.835 -5.755 -10.538 1.00 0.00 C ATOM 0 H THR A 25 -2.413 -5.506 -12.735 1.00 0.00 H new ATOM 0 HA THR A 25 -2.905 -7.439 -10.696 1.00 0.00 H new ATOM 0 HB THR A 25 -2.484 -5.496 -9.179 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.402 -3.475 -9.982 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.196 -5.043 -10.015 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.612 -6.764 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.650 -5.689 -11.610 1.00 0.00 H new ATOM 390 N LEU A 26 -5.291 -5.312 -11.381 1.00 0.00 N ATOM 391 CA LEU A 26 -6.723 -5.008 -11.128 1.00 0.00 C ATOM 392 C LEU A 26 -6.863 -4.202 -9.840 1.00 0.00 C ATOM 393 O LEU A 26 -7.485 -4.643 -8.896 1.00 0.00 O ATOM 394 CB LEU A 26 -7.490 -6.322 -10.988 1.00 0.00 C ATOM 395 CG LEU A 26 -8.603 -6.374 -12.035 1.00 0.00 C ATOM 396 CD1 LEU A 26 -9.473 -7.611 -11.803 1.00 0.00 C ATOM 397 CD2 LEU A 26 -9.466 -5.116 -11.918 1.00 0.00 C ATOM 0 H LEU A 26 -4.873 -4.805 -12.161 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.124 -4.426 -11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.813 -7.167 -11.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.913 -6.404 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.162 -6.426 -13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.265 -7.644 -12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.859 -8.508 -11.884 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.916 -7.563 -10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.261 -5.149 -12.663 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.905 -5.067 -10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.848 -4.234 -12.086 1.00 0.00 H new ATOM 409 N ASP A 27 -6.295 -3.027 -9.780 1.00 0.00 N ATOM 410 CA ASP A 27 -6.426 -2.236 -8.521 1.00 0.00 C ATOM 411 C ASP A 27 -5.459 -1.054 -8.514 1.00 0.00 C ATOM 412 O ASP A 27 -4.579 -0.954 -9.346 1.00 0.00 O ATOM 413 CB ASP A 27 -6.085 -3.147 -7.345 1.00 0.00 C ATOM 414 CG ASP A 27 -7.294 -3.262 -6.415 1.00 0.00 C ATOM 415 OD1 ASP A 27 -7.747 -2.237 -5.936 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.746 -4.375 -6.199 1.00 0.00 O ATOM 0 H ASP A 27 -5.758 -2.588 -10.528 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.445 -1.855 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.798 -4.134 -7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.230 -2.748 -6.799 1.00 0.00 H new ATOM 421 N ARG A 28 -5.592 -0.169 -7.554 1.00 0.00 N ATOM 422 CA ARG A 28 -4.651 0.978 -7.478 1.00 0.00 C ATOM 423 C ARG A 28 -3.368 0.469 -6.830 1.00 0.00 C ATOM 424 O ARG A 28 -3.395 -0.471 -6.061 1.00 0.00 O ATOM 425 CB ARG A 28 -5.257 2.092 -6.622 1.00 0.00 C ATOM 426 CG ARG A 28 -4.641 3.434 -7.021 1.00 0.00 C ATOM 427 CD ARG A 28 -5.412 4.017 -8.206 1.00 0.00 C ATOM 428 NE ARG A 28 -5.037 5.447 -8.392 1.00 0.00 N ATOM 429 CZ ARG A 28 -5.397 6.079 -9.474 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.613 5.949 -9.932 1.00 0.00 N ATOM 431 NH2 ARG A 28 -4.543 6.842 -10.099 1.00 0.00 N ATOM 0 H ARG A 28 -6.308 -0.196 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.451 1.380 -8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.338 2.122 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.073 1.895 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.671 4.125 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.592 3.300 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.190 3.452 -9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.485 3.932 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.499 5.931 -7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.281 5.353 -9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.895 6.443 -10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.593 6.944 -9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.825 7.336 -10.945 1.00 0.00 H new ATOM 445 N TYR A 29 -2.244 1.045 -7.135 1.00 0.00 N ATOM 446 CA TYR A 29 -0.993 0.528 -6.524 1.00 0.00 C ATOM 447 C TYR A 29 0.044 1.639 -6.384 1.00 0.00 C ATOM 448 O TYR A 29 0.149 2.524 -7.211 1.00 0.00 O ATOM 449 CB TYR A 29 -0.441 -0.589 -7.412 1.00 0.00 C ATOM 450 CG TYR A 29 -1.337 -1.803 -7.307 1.00 0.00 C ATOM 451 CD1 TYR A 29 -1.288 -2.617 -6.167 1.00 0.00 C ATOM 452 CD2 TYR A 29 -2.219 -2.114 -8.349 1.00 0.00 C ATOM 453 CE1 TYR A 29 -2.120 -3.740 -6.071 1.00 0.00 C ATOM 454 CE2 TYR A 29 -3.050 -3.237 -8.253 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.001 -4.050 -7.115 1.00 0.00 C ATOM 456 OH TYR A 29 -3.820 -5.157 -7.022 1.00 0.00 O ATOM 0 H TYR A 29 -2.136 1.837 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.212 0.145 -5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.386 -0.252 -8.447 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.573 -0.844 -7.106 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.608 -2.378 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.258 -1.487 -9.228 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.082 -4.367 -5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.729 -3.476 -9.058 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.438 -5.044 -6.270 1.00 0.00 H new ATOM 466 N ALA A 30 0.816 1.588 -5.333 1.00 0.00 N ATOM 467 CA ALA A 30 1.862 2.625 -5.117 1.00 0.00 C ATOM 468 C ALA A 30 3.228 1.942 -5.016 1.00 0.00 C ATOM 469 O ALA A 30 3.465 1.136 -4.138 1.00 0.00 O ATOM 470 CB ALA A 30 1.573 3.379 -3.817 1.00 0.00 C ATOM 0 H ALA A 30 0.766 0.869 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 30 1.861 3.328 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.339 4.138 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.596 3.857 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.578 2.679 -2.982 1.00 0.00 H new ATOM 476 N ASN A 31 4.130 2.254 -5.909 1.00 0.00 N ATOM 477 CA ASN A 31 5.477 1.617 -5.859 1.00 0.00 C ATOM 478 C ASN A 31 6.332 2.314 -4.799 1.00 0.00 C ATOM 479 O ASN A 31 6.997 3.295 -5.073 1.00 0.00 O ATOM 480 CB ASN A 31 6.154 1.747 -7.226 1.00 0.00 C ATOM 481 CG ASN A 31 5.969 3.171 -7.753 1.00 0.00 C ATOM 482 OD1 ASN A 31 5.009 3.420 -8.600 1.00 0.00 O flip ATOM 483 ND2 ASN A 31 6.706 4.066 -7.388 1.00 0.00 N flip ATOM 0 H ASN A 31 3.992 2.921 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 31 5.371 0.562 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.215 1.514 -7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.725 1.030 -7.926 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.457 3.870 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.574 5.013 -7.744 1.00 0.00 H new ATOM 490 N TYR A 32 6.319 1.820 -3.590 1.00 0.00 N ATOM 491 CA TYR A 32 7.131 2.457 -2.516 1.00 0.00 C ATOM 492 C TYR A 32 8.558 1.904 -2.547 1.00 0.00 C ATOM 493 O TYR A 32 9.063 1.415 -1.556 1.00 0.00 O ATOM 494 CB TYR A 32 6.501 2.162 -1.154 1.00 0.00 C ATOM 495 CG TYR A 32 7.371 2.744 -0.066 1.00 0.00 C ATOM 496 CD1 TYR A 32 7.737 4.095 -0.108 1.00 0.00 C ATOM 497 CD2 TYR A 32 7.813 1.932 0.984 1.00 0.00 C ATOM 498 CE1 TYR A 32 8.546 4.633 0.899 1.00 0.00 C ATOM 499 CE2 TYR A 32 8.621 2.471 1.992 1.00 0.00 C ATOM 500 CZ TYR A 32 8.988 3.821 1.950 1.00 0.00 C ATOM 501 OH TYR A 32 9.786 4.350 2.944 1.00 0.00 O ATOM 0 H TYR A 32 5.781 1.003 -3.301 1.00 0.00 H new ATOM 0 HA TYR A 32 7.158 3.534 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.500 2.590 -1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.395 1.086 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.395 4.722 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.531 0.890 1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.829 5.675 0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.962 1.844 2.803 1.00 0.00 H new ATOM 0 HH TYR A 32 10.002 3.651 3.596 1.00 0.00 H new ATOM 511 N GLU A 33 9.208 1.989 -3.681 1.00 0.00 N ATOM 512 CA GLU A 33 10.611 1.487 -3.802 1.00 0.00 C ATOM 513 C GLU A 33 10.817 0.246 -2.930 1.00 0.00 C ATOM 514 O GLU A 33 11.146 0.345 -1.765 1.00 0.00 O ATOM 515 CB GLU A 33 11.580 2.581 -3.352 1.00 0.00 C ATOM 516 CG GLU A 33 11.191 3.908 -4.005 1.00 0.00 C ATOM 517 CD GLU A 33 12.114 4.180 -5.195 1.00 0.00 C ATOM 518 OE1 GLU A 33 12.903 3.307 -5.519 1.00 0.00 O ATOM 519 OE2 GLU A 33 12.016 5.256 -5.760 1.00 0.00 O ATOM 0 H GLU A 33 8.822 2.389 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 33 10.798 1.222 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.557 2.677 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.600 2.313 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.153 3.872 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.266 4.718 -3.280 1.00 0.00 H new ATOM 526 N GLY A 34 10.640 -0.920 -3.485 1.00 0.00 N ATOM 527 CA GLY A 34 10.841 -2.160 -2.685 1.00 0.00 C ATOM 528 C GLY A 34 9.492 -2.711 -2.220 1.00 0.00 C ATOM 529 O GLY A 34 9.261 -3.903 -2.239 1.00 0.00 O ATOM 0 H GLY A 34 10.365 -1.068 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.361 -2.908 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.472 -1.947 -1.822 1.00 0.00 H new ATOM 533 N CYS A 35 8.598 -1.860 -1.792 1.00 0.00 N ATOM 534 CA CYS A 35 7.275 -2.361 -1.319 1.00 0.00 C ATOM 535 C CYS A 35 6.171 -1.911 -2.274 1.00 0.00 C ATOM 536 O CYS A 35 6.310 -0.939 -2.988 1.00 0.00 O ATOM 537 CB CYS A 35 6.992 -1.805 0.077 1.00 0.00 C ATOM 538 SG CYS A 35 6.948 -3.167 1.268 1.00 0.00 S ATOM 0 H CYS A 35 8.724 -0.849 -1.749 1.00 0.00 H new ATOM 0 HA CYS A 35 7.298 -3.450 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.762 -1.087 0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.041 -1.272 0.082 1.00 0.00 H new ATOM 543 N LEU A 36 5.070 -2.610 -2.285 1.00 0.00 N ATOM 544 CA LEU A 36 3.949 -2.222 -3.184 1.00 0.00 C ATOM 545 C LEU A 36 2.646 -2.237 -2.395 1.00 0.00 C ATOM 546 O LEU A 36 2.195 -3.274 -1.936 1.00 0.00 O ATOM 547 CB LEU A 36 3.842 -3.207 -4.351 1.00 0.00 C ATOM 548 CG LEU A 36 2.551 -2.971 -5.153 1.00 0.00 C ATOM 549 CD1 LEU A 36 1.388 -3.661 -4.452 1.00 0.00 C ATOM 550 CD2 LEU A 36 2.248 -1.472 -5.283 1.00 0.00 C ATOM 0 H LEU A 36 4.899 -3.434 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 36 4.137 -1.223 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.707 -3.097 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.858 -4.229 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 36 2.687 -3.384 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.472 -3.495 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.586 -4.731 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.273 -3.251 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.330 -1.335 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.126 -1.038 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.073 -0.977 -5.796 1.00 0.00 H new ATOM 562 N TRP A 37 2.032 -1.097 -2.244 1.00 0.00 N ATOM 563 CA TRP A 37 0.752 -1.039 -1.499 1.00 0.00 C ATOM 564 C TRP A 37 -0.405 -1.093 -2.498 1.00 0.00 C ATOM 565 O TRP A 37 -0.199 -1.097 -3.698 1.00 0.00 O ATOM 566 CB TRP A 37 0.683 0.251 -0.688 1.00 0.00 C ATOM 567 CG TRP A 37 1.931 0.417 0.109 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.151 0.714 -0.392 1.00 0.00 C ATOM 569 CD2 TRP A 37 2.092 0.300 1.547 1.00 0.00 C ATOM 570 NE1 TRP A 37 4.053 0.788 0.654 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.445 0.539 1.871 1.00 0.00 C ATOM 572 CE3 TRP A 37 1.197 0.009 2.593 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.897 0.493 3.189 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.644 -0.039 3.917 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.994 0.203 4.217 1.00 0.00 C ATOM 0 H TRP A 37 2.365 -0.204 -2.606 1.00 0.00 H new ATOM 0 HA TRP A 37 0.684 -1.885 -0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.551 1.103 -1.355 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.182 0.228 -0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.383 0.868 -1.436 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.044 1.000 0.542 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.157 -0.179 2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.937 0.680 3.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.948 -0.263 4.712 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.335 0.165 5.241 1.00 0.00 H new ATOM 586 N ASN A 38 -1.619 -1.140 -2.024 1.00 0.00 N ATOM 587 CA ASN A 38 -2.775 -1.214 -2.961 1.00 0.00 C ATOM 588 C ASN A 38 -3.881 -0.266 -2.507 1.00 0.00 C ATOM 589 O ASN A 38 -4.451 -0.423 -1.440 1.00 0.00 O ATOM 590 CB ASN A 38 -3.316 -2.646 -2.983 1.00 0.00 C ATOM 591 CG ASN A 38 -4.588 -2.705 -3.829 1.00 0.00 C ATOM 592 OD1 ASN A 38 -4.582 -3.252 -4.910 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.688 -2.166 -3.377 1.00 0.00 N ATOM 0 H ASN A 38 -1.860 -1.130 -1.033 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.444 -0.925 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.565 -3.322 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.528 -2.980 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.542 -2.206 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.694 -1.705 -2.467 1.00 0.00 H new ATOM 600 N ALA A 39 -4.198 0.707 -3.318 1.00 0.00 N ATOM 601 CA ALA A 39 -5.275 1.664 -2.954 1.00 0.00 C ATOM 602 C ALA A 39 -6.607 1.157 -3.511 1.00 0.00 C ATOM 603 O ALA A 39 -6.682 0.643 -4.619 1.00 0.00 O ATOM 604 CB ALA A 39 -4.961 3.040 -3.546 1.00 0.00 C ATOM 0 H ALA A 39 -3.754 0.879 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.340 1.747 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.752 3.740 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.010 3.398 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.897 2.963 -4.631 1.00 0.00 H new ATOM 610 N THR A 40 -7.656 1.294 -2.747 1.00 0.00 N ATOM 611 CA THR A 40 -8.991 0.823 -3.208 1.00 0.00 C ATOM 612 C THR A 40 -9.665 1.923 -4.032 1.00 0.00 C ATOM 613 O THR A 40 -9.009 2.721 -4.671 1.00 0.00 O ATOM 614 CB THR A 40 -9.858 0.492 -1.988 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.340 1.698 -1.413 1.00 0.00 O ATOM 616 CG2 THR A 40 -9.021 -0.267 -0.955 1.00 0.00 C ATOM 0 H THR A 40 -7.645 1.715 -1.818 1.00 0.00 H new ATOM 0 HA THR A 40 -8.872 -0.068 -3.825 1.00 0.00 H new ATOM 0 HB THR A 40 -10.700 -0.128 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.896 1.489 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.638 -0.502 -0.088 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.649 -1.191 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.179 0.351 -0.644 1.00 0.00 H new ATOM 624 N GLY A 41 -10.969 1.974 -4.022 1.00 0.00 N ATOM 625 CA GLY A 41 -11.680 3.024 -4.807 1.00 0.00 C ATOM 626 C GLY A 41 -11.976 4.228 -3.909 1.00 0.00 C ATOM 627 O GLY A 41 -12.367 5.280 -4.375 1.00 0.00 O ATOM 0 H GLY A 41 -11.573 1.335 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.070 3.333 -5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.609 2.623 -5.211 1.00 0.00 H new ATOM 631 N VAL A 42 -11.793 4.085 -2.625 1.00 0.00 N ATOM 632 CA VAL A 42 -12.063 5.223 -1.703 1.00 0.00 C ATOM 633 C VAL A 42 -10.743 5.736 -1.123 1.00 0.00 C ATOM 634 O VAL A 42 -10.315 5.317 -0.066 1.00 0.00 O ATOM 635 CB VAL A 42 -12.972 4.754 -0.565 1.00 0.00 C ATOM 636 CG1 VAL A 42 -13.059 5.845 0.502 1.00 0.00 C ATOM 637 CG2 VAL A 42 -14.370 4.468 -1.118 1.00 0.00 C ATOM 0 H VAL A 42 -11.468 3.229 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.554 6.026 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.562 3.846 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.707 5.511 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.063 6.050 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.469 6.753 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.020 4.134 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.779 5.376 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.308 3.690 -1.879 1.00 0.00 H new ATOM 647 N VAL A 43 -10.093 6.639 -1.806 1.00 0.00 N ATOM 648 CA VAL A 43 -8.802 7.178 -1.291 1.00 0.00 C ATOM 649 C VAL A 43 -8.654 8.637 -1.724 1.00 0.00 C ATOM 650 O VAL A 43 -9.172 9.048 -2.743 1.00 0.00 O ATOM 651 CB VAL A 43 -7.642 6.354 -1.856 1.00 0.00 C ATOM 652 CG1 VAL A 43 -6.321 7.078 -1.592 1.00 0.00 C ATOM 653 CG2 VAL A 43 -7.610 4.986 -1.172 1.00 0.00 C ATOM 0 H VAL A 43 -10.400 7.027 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.789 7.119 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.780 6.227 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.497 6.490 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.339 8.055 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.184 7.206 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.785 4.398 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.473 5.119 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.550 4.465 -1.356 1.00 0.00 H new ATOM 663 N VAL A 44 -7.950 9.425 -0.959 1.00 0.00 N ATOM 664 CA VAL A 44 -7.772 10.857 -1.332 1.00 0.00 C ATOM 665 C VAL A 44 -6.816 10.959 -2.520 1.00 0.00 C ATOM 666 O VAL A 44 -5.798 10.297 -2.570 1.00 0.00 O ATOM 667 CB VAL A 44 -7.187 11.623 -0.146 1.00 0.00 C ATOM 668 CG1 VAL A 44 -6.878 13.059 -0.571 1.00 0.00 C ATOM 669 CG2 VAL A 44 -8.201 11.635 0.999 1.00 0.00 C ATOM 0 H VAL A 44 -7.491 9.140 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.738 11.284 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.269 11.138 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.461 13.607 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.157 13.049 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.795 13.546 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.786 12.181 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.118 12.122 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.422 10.611 1.300 1.00 0.00 H new ATOM 679 N CYS A 45 -7.132 11.785 -3.479 1.00 0.00 N ATOM 680 CA CYS A 45 -6.236 11.925 -4.659 1.00 0.00 C ATOM 681 C CYS A 45 -6.156 13.395 -5.074 1.00 0.00 C ATOM 682 O CYS A 45 -7.083 14.158 -4.889 1.00 0.00 O ATOM 683 CB CYS A 45 -6.785 11.095 -5.821 1.00 0.00 C ATOM 684 SG CYS A 45 -6.075 9.429 -5.762 1.00 0.00 S ATOM 0 H CYS A 45 -7.969 12.367 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.239 11.569 -4.398 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.872 11.041 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.541 11.572 -6.770 1.00 0.00 H new ATOM 689 N THR A 46 -5.050 13.793 -5.639 1.00 0.00 N ATOM 690 CA THR A 46 -4.893 15.208 -6.077 1.00 0.00 C ATOM 691 C THR A 46 -4.032 15.247 -7.341 1.00 0.00 C ATOM 692 O THR A 46 -3.109 14.471 -7.497 1.00 0.00 O ATOM 693 CB THR A 46 -4.211 16.017 -4.970 1.00 0.00 C ATOM 694 OG1 THR A 46 -4.179 17.389 -5.340 1.00 0.00 O ATOM 695 CG2 THR A 46 -2.783 15.509 -4.772 1.00 0.00 C ATOM 0 H THR A 46 -4.243 13.195 -5.817 1.00 0.00 H new ATOM 0 HA THR A 46 -5.873 15.638 -6.284 1.00 0.00 H new ATOM 0 HB THR A 46 -4.768 15.903 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.744 17.909 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.298 16.085 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.807 14.456 -4.490 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.224 15.623 -5.701 1.00 0.00 H new ATOM 703 N GLY A 47 -4.327 16.139 -8.248 1.00 0.00 N ATOM 704 CA GLY A 47 -3.522 16.217 -9.500 1.00 0.00 C ATOM 705 C GLY A 47 -3.932 15.081 -10.436 1.00 0.00 C ATOM 706 O GLY A 47 -3.121 14.270 -10.832 1.00 0.00 O ATOM 0 H GLY A 47 -5.088 16.815 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.679 17.179 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.459 16.147 -9.268 1.00 0.00 H new ATOM 710 N ASP A 48 -5.188 15.005 -10.780 1.00 0.00 N ATOM 711 CA ASP A 48 -5.644 13.903 -11.670 1.00 0.00 C ATOM 712 C ASP A 48 -5.377 12.573 -10.965 1.00 0.00 C ATOM 713 O ASP A 48 -5.382 11.522 -11.572 1.00 0.00 O ATOM 714 CB ASP A 48 -4.874 13.940 -12.990 1.00 0.00 C ATOM 715 CG ASP A 48 -5.394 15.089 -13.855 1.00 0.00 C ATOM 716 OD1 ASP A 48 -5.776 16.103 -13.294 1.00 0.00 O ATOM 717 OD2 ASP A 48 -5.404 14.935 -15.065 1.00 0.00 O ATOM 0 H ASP A 48 -5.915 15.656 -10.484 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.707 14.017 -11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.809 14.069 -12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.990 12.993 -13.517 1.00 0.00 H new ATOM 722 N GLU A 49 -5.142 12.627 -9.681 1.00 0.00 N ATOM 723 CA GLU A 49 -4.871 11.389 -8.901 1.00 0.00 C ATOM 724 C GLU A 49 -3.405 10.978 -9.057 1.00 0.00 C ATOM 725 O GLU A 49 -3.062 9.818 -8.939 1.00 0.00 O ATOM 726 CB GLU A 49 -5.782 10.253 -9.378 1.00 0.00 C ATOM 727 CG GLU A 49 -7.204 10.785 -9.566 1.00 0.00 C ATOM 728 CD GLU A 49 -8.193 9.617 -9.544 1.00 0.00 C ATOM 729 OE1 GLU A 49 -7.762 8.498 -9.767 1.00 0.00 O ATOM 730 OE2 GLU A 49 -9.364 9.863 -9.306 1.00 0.00 O ATOM 0 H GLU A 49 -5.127 13.488 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.074 11.589 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.409 9.843 -10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.779 9.441 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.446 11.495 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.281 11.323 -10.511 1.00 0.00 H new ATOM 737 N THR A 50 -2.532 11.920 -9.291 1.00 0.00 N ATOM 738 CA THR A 50 -1.091 11.572 -9.418 1.00 0.00 C ATOM 739 C THR A 50 -0.571 11.243 -8.024 1.00 0.00 C ATOM 740 O THR A 50 0.084 10.244 -7.810 1.00 0.00 O ATOM 741 CB THR A 50 -0.317 12.759 -9.995 1.00 0.00 C ATOM 742 OG1 THR A 50 -1.052 13.955 -9.778 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.110 12.548 -11.495 1.00 0.00 C ATOM 0 H THR A 50 -2.754 12.910 -9.399 1.00 0.00 H new ATOM 0 HA THR A 50 -0.961 10.721 -10.086 1.00 0.00 H new ATOM 0 HB THR A 50 0.652 12.837 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.700 14.077 -10.503 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.441 13.392 -11.909 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.455 11.630 -11.659 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.079 12.470 -11.989 1.00 0.00 H new ATOM 751 N GLN A 51 -0.890 12.068 -7.066 1.00 0.00 N ATOM 752 CA GLN A 51 -0.454 11.796 -5.671 1.00 0.00 C ATOM 753 C GLN A 51 -1.687 11.448 -4.849 1.00 0.00 C ATOM 754 O GLN A 51 -2.719 12.077 -4.975 1.00 0.00 O ATOM 755 CB GLN A 51 0.214 13.032 -5.073 1.00 0.00 C ATOM 756 CG GLN A 51 1.044 13.737 -6.145 1.00 0.00 C ATOM 757 CD GLN A 51 2.248 14.422 -5.497 1.00 0.00 C ATOM 758 OE1 GLN A 51 2.282 14.616 -4.299 1.00 0.00 O ATOM 759 NE2 GLN A 51 3.246 14.801 -6.249 1.00 0.00 N ATOM 0 H GLN A 51 -1.435 12.921 -7.191 1.00 0.00 H new ATOM 0 HA GLN A 51 0.262 10.974 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.542 13.711 -4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.851 12.744 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.381 13.016 -6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.432 14.473 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.217 14.638 -7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.055 15.260 -5.830 1.00 0.00 H new ATOM 768 N CYS A 52 -1.611 10.453 -4.019 1.00 0.00 N ATOM 769 CA CYS A 52 -2.817 10.094 -3.219 1.00 0.00 C ATOM 770 C CYS A 52 -2.425 9.510 -1.857 1.00 0.00 C ATOM 771 O CYS A 52 -1.355 8.959 -1.683 1.00 0.00 O ATOM 772 CB CYS A 52 -3.648 9.065 -3.990 1.00 0.00 C ATOM 773 SG CYS A 52 -4.082 9.732 -5.616 1.00 0.00 S ATOM 0 H CYS A 52 -0.784 9.879 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.399 11.000 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.084 8.139 -4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.552 8.821 -3.432 1.00 0.00 H new ATOM 778 N TYR A 53 -3.306 9.620 -0.893 1.00 0.00 N ATOM 779 CA TYR A 53 -3.015 9.069 0.461 1.00 0.00 C ATOM 780 C TYR A 53 -4.272 8.371 1.000 1.00 0.00 C ATOM 781 O TYR A 53 -5.380 8.663 0.593 1.00 0.00 O ATOM 782 CB TYR A 53 -2.570 10.212 1.401 1.00 0.00 C ATOM 783 CG TYR A 53 -3.131 10.026 2.801 1.00 0.00 C ATOM 784 CD1 TYR A 53 -2.478 9.193 3.723 1.00 0.00 C ATOM 785 CD2 TYR A 53 -4.307 10.689 3.172 1.00 0.00 C ATOM 786 CE1 TYR A 53 -3.004 9.027 5.012 1.00 0.00 C ATOM 787 CE2 TYR A 53 -4.831 10.521 4.459 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.181 9.691 5.378 1.00 0.00 C ATOM 789 OH TYR A 53 -4.700 9.530 6.646 1.00 0.00 O ATOM 0 H TYR A 53 -4.216 10.070 -0.989 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.207 8.340 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.481 10.247 1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.903 11.168 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.571 8.680 3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.810 11.331 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.501 8.387 5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.739 11.033 4.743 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.519 10.062 6.734 1.00 0.00 H new ATOM 799 N GLY A 54 -4.103 7.451 1.913 1.00 0.00 N ATOM 800 CA GLY A 54 -5.279 6.728 2.479 1.00 0.00 C ATOM 801 C GLY A 54 -4.863 5.296 2.822 1.00 0.00 C ATOM 802 O GLY A 54 -3.763 5.056 3.276 1.00 0.00 O ATOM 0 H GLY A 54 -3.199 7.169 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.642 7.239 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.098 6.720 1.760 1.00 0.00 H new ATOM 806 N THR A 55 -5.724 4.338 2.603 1.00 0.00 N ATOM 807 CA THR A 55 -5.348 2.930 2.915 1.00 0.00 C ATOM 808 C THR A 55 -4.810 2.258 1.657 1.00 0.00 C ATOM 809 O THR A 55 -5.472 2.178 0.641 1.00 0.00 O ATOM 810 CB THR A 55 -6.566 2.143 3.406 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.688 2.451 2.592 1.00 0.00 O ATOM 812 CG2 THR A 55 -6.867 2.512 4.854 1.00 0.00 C ATOM 0 H THR A 55 -6.662 4.468 2.225 1.00 0.00 H new ATOM 0 HA THR A 55 -4.588 2.941 3.696 1.00 0.00 H new ATOM 0 HB THR A 55 -6.355 1.075 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.405 2.516 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.734 1.950 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.006 2.271 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.076 3.580 4.921 1.00 0.00 H new ATOM 820 N TRP A 56 -3.619 1.758 1.735 1.00 0.00 N ATOM 821 CA TRP A 56 -3.008 1.063 0.580 1.00 0.00 C ATOM 822 C TRP A 56 -2.637 -0.372 0.988 1.00 0.00 C ATOM 823 O TRP A 56 -1.493 -0.660 1.256 1.00 0.00 O ATOM 824 CB TRP A 56 -1.740 1.800 0.215 1.00 0.00 C ATOM 825 CG TRP A 56 -2.037 3.231 -0.035 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.223 4.170 0.917 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.174 3.898 -1.312 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.471 5.380 0.300 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.452 5.263 -1.081 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.086 3.446 -2.639 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -2.635 6.154 -2.139 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.270 4.334 -3.705 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.545 5.687 -3.456 1.00 0.00 C ATOM 0 H TRP A 56 -3.030 1.802 2.567 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.704 1.038 -0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.011 1.707 1.020 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.293 1.353 -0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.184 4.003 1.983 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.647 6.252 0.799 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.875 2.406 -2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.844 7.195 -1.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.200 3.977 -4.722 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.687 6.369 -4.281 1.00 0.00 H new ATOM 844 N VAL A 57 -3.579 -1.263 1.083 1.00 0.00 N ATOM 845 CA VAL A 57 -3.231 -2.655 1.523 1.00 0.00 C ATOM 846 C VAL A 57 -1.944 -3.128 0.820 1.00 0.00 C ATOM 847 O VAL A 57 -1.833 -3.040 -0.384 1.00 0.00 O ATOM 848 CB VAL A 57 -4.386 -3.602 1.180 1.00 0.00 C ATOM 849 CG1 VAL A 57 -3.978 -5.050 1.471 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.607 -3.241 2.027 1.00 0.00 C ATOM 0 H VAL A 57 -4.565 -1.100 0.880 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.065 -2.658 2.600 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.628 -3.503 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.804 -5.717 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.108 -5.311 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.731 -5.153 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.430 -3.914 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.358 -3.338 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.904 -2.214 1.817 1.00 0.00 H new ATOM 860 N PRO A 58 -1.007 -3.627 1.599 1.00 0.00 N ATOM 861 CA PRO A 58 0.282 -4.117 1.076 1.00 0.00 C ATOM 862 C PRO A 58 0.085 -5.482 0.416 1.00 0.00 C ATOM 863 O PRO A 58 -0.771 -6.250 0.807 1.00 0.00 O ATOM 864 CB PRO A 58 1.172 -4.204 2.325 1.00 0.00 C ATOM 865 CG PRO A 58 0.218 -4.292 3.539 1.00 0.00 C ATOM 866 CD PRO A 58 -1.153 -3.767 3.062 1.00 0.00 C ATOM 0 HA PRO A 58 0.722 -3.476 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.822 -5.078 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.819 -3.330 2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.137 -5.319 3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.593 -3.696 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.954 -4.461 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.397 -2.813 3.530 1.00 0.00 H new ATOM 874 N ILE A 59 0.843 -5.782 -0.605 1.00 0.00 N ATOM 875 CA ILE A 59 0.654 -7.086 -1.295 1.00 0.00 C ATOM 876 C ILE A 59 1.897 -7.478 -2.088 1.00 0.00 C ATOM 877 O ILE A 59 2.187 -8.647 -2.249 1.00 0.00 O ATOM 878 CB ILE A 59 -0.509 -6.972 -2.279 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.284 -5.767 -3.208 1.00 0.00 C ATOM 880 CG2 ILE A 59 -1.824 -6.813 -1.516 1.00 0.00 C ATOM 881 CD1 ILE A 59 -0.663 -4.455 -2.508 1.00 0.00 C ATOM 0 H ILE A 59 1.577 -5.186 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 59 0.458 -7.841 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.562 -7.879 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.761 -5.731 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.879 -5.885 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.648 -6.732 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.980 -7.681 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.783 -5.912 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.495 -3.619 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.715 -4.485 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.049 -4.328 -1.616 1.00 0.00 H new ATOM 893 N GLY A 60 2.616 -6.534 -2.625 1.00 0.00 N ATOM 894 CA GLY A 60 3.800 -6.917 -3.439 1.00 0.00 C ATOM 895 C GLY A 60 5.012 -6.076 -3.072 1.00 0.00 C ATOM 896 O GLY A 60 5.060 -5.442 -2.038 1.00 0.00 O ATOM 0 H GLY A 60 2.440 -5.533 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.025 -7.972 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.573 -6.791 -4.498 1.00 0.00 H new ATOM 900 N LEU A 61 5.997 -6.079 -3.923 1.00 0.00 N ATOM 901 CA LEU A 61 7.225 -5.293 -3.651 1.00 0.00 C ATOM 902 C LEU A 61 7.199 -4.012 -4.484 1.00 0.00 C ATOM 903 O LEU A 61 7.783 -3.014 -4.114 1.00 0.00 O ATOM 904 CB LEU A 61 8.451 -6.129 -4.021 1.00 0.00 C ATOM 905 CG LEU A 61 8.300 -7.534 -3.435 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.621 -8.291 -3.572 1.00 0.00 C ATOM 907 CD2 LEU A 61 7.923 -7.430 -1.956 1.00 0.00 C ATOM 0 H LEU A 61 6.002 -6.597 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 61 7.272 -5.033 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.555 -6.184 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.356 -5.658 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 61 7.519 -8.070 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.512 -9.292 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.890 -8.365 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.404 -7.757 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.815 -8.430 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.705 -6.894 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.980 -6.892 -1.858 1.00 0.00 H new ATOM 919 N ALA A 62 6.516 -4.015 -5.600 1.00 0.00 N ATOM 920 CA ALA A 62 6.468 -2.766 -6.414 1.00 0.00 C ATOM 921 C ALA A 62 5.808 -3.000 -7.782 1.00 0.00 C ATOM 922 O ALA A 62 6.360 -2.620 -8.792 1.00 0.00 O ATOM 923 CB ALA A 62 7.894 -2.257 -6.623 1.00 0.00 C ATOM 0 H ALA A 62 6.000 -4.810 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 62 5.869 -2.032 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.871 -1.344 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.352 -2.049 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.478 -3.015 -7.145 1.00 0.00 H new ATOM 929 N ILE A 63 4.617 -3.571 -7.818 1.00 0.00 N ATOM 930 CA ILE A 63 3.909 -3.776 -9.132 1.00 0.00 C ATOM 931 C ILE A 63 2.832 -4.891 -9.063 1.00 0.00 C ATOM 932 O ILE A 63 1.780 -4.735 -9.647 1.00 0.00 O ATOM 933 CB ILE A 63 4.932 -4.084 -10.251 1.00 0.00 C ATOM 934 CG1 ILE A 63 5.087 -2.840 -11.136 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.474 -5.257 -11.129 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.727 -2.463 -11.741 1.00 0.00 C ATOM 0 H ILE A 63 4.108 -3.902 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 63 3.389 -2.846 -9.362 1.00 0.00 H new ATOM 0 HB ILE A 63 5.878 -4.355 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.477 -2.009 -10.548 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.808 -3.034 -11.930 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.218 -5.444 -11.904 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.359 -6.149 -10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.519 -5.012 -11.594 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.840 -1.579 -12.369 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.355 -3.291 -12.344 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.019 -2.251 -10.940 1.00 0.00 H new ATOM 948 N PRO A 64 3.117 -5.993 -8.402 1.00 0.00 N ATOM 949 CA PRO A 64 2.161 -7.120 -8.333 1.00 0.00 C ATOM 950 C PRO A 64 0.934 -6.808 -7.466 1.00 0.00 C ATOM 951 O PRO A 64 0.968 -5.981 -6.577 1.00 0.00 O ATOM 952 CB PRO A 64 2.990 -8.276 -7.771 1.00 0.00 C ATOM 953 CG PRO A 64 4.211 -7.642 -7.071 1.00 0.00 C ATOM 954 CD PRO A 64 4.376 -6.226 -7.660 1.00 0.00 C ATOM 0 HA PRO A 64 1.733 -7.351 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.404 -8.867 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.306 -8.949 -8.568 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.058 -7.597 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.107 -8.239 -7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.520 -5.483 -6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.243 -6.167 -8.318 1.00 0.00 H new ATOM 962 N GLU A 65 -0.159 -7.469 -7.761 1.00 0.00 N ATOM 963 CA GLU A 65 -1.434 -7.242 -7.015 1.00 0.00 C ATOM 964 C GLU A 65 -1.454 -8.045 -5.713 1.00 0.00 C ATOM 965 O GLU A 65 -0.430 -8.372 -5.147 1.00 0.00 O ATOM 966 CB GLU A 65 -2.607 -7.701 -7.891 1.00 0.00 C ATOM 967 CG GLU A 65 -2.604 -9.229 -7.983 1.00 0.00 C ATOM 968 CD GLU A 65 -3.795 -9.696 -8.823 1.00 0.00 C ATOM 969 OE1 GLU A 65 -3.870 -9.308 -9.976 1.00 0.00 O ATOM 970 OE2 GLU A 65 -4.610 -10.437 -8.296 1.00 0.00 O ATOM 0 H GLU A 65 -0.221 -8.168 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.516 -6.181 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.549 -7.353 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.524 -7.265 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.672 -9.574 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.658 -9.663 -6.985 1.00 0.00 H new