USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot -56:sc= 0.566 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= 0.49 F(o=0.19,f=1.1) USER MOD Set 2.1: A 81 THR OG1 : rot 159:sc= 1.06 USER MOD Set 2.2: A 93 THR OG1 : rot 77:sc= 0.599 USER MOD Set 3.1: A 73 THR OG1 : rot 130:sc= 0.402 USER MOD Set 3.2: A 75 THR OG1 : rot 160:sc= 1.36 USER MOD Set 4.1: A 47 HIS : no HE2:sc= 0.0344 K(o=1.2,f=-0.47) USER MOD Set 4.2: A 49 LYS NZ :NH3+ -147:sc= 1.1 (180deg=0.0994) USER MOD Set 4.3: A 64 THR OG1 : rot 180:sc= 0.0352 USER MOD Set 5.1: A 2 SER OG : rot -85:sc= 0.0042 USER MOD Set 5.2: A 43 GLN : amide:sc= 0.00408 K(o=0.0083,f=-0.97) USER MOD Set 6.1: A 30 GLN : amide:sc= 0.508 K(o=1.2,f=-1.1) USER MOD Set 6.2: A 33 LYS NZ :NH3+ -149:sc= 0.675 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 26:sc= 0.649 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 10 GLN : amide:sc= -0.0416 X(o=-0.042,f=-0.045) USER MOD Single : A 11 SER OG : rot 21:sc= 0.0756 USER MOD Single : A 12 GLN : amide:sc= -0.415 K(o=-0.42,f=-4.5!) USER MOD Single : A 14 ASN : amide:sc= 0.788 K(o=0.79,f=-0.19) USER MOD Single : A 19 MET CE :methyl -176:sc= -0.176 (180deg=-0.231) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0502) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 39 SER OG : rot 35:sc= 0.486 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -43:sc= 0.316 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 61 ASN : amide:sc= 1.61 K(o=1.6,f=-5.3!) USER MOD Single : A 69 CYS SG : rot 11:sc= -0.0949 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 144:sc= 0.782 (180deg=-0.906) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.351 X(o=0.35,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 90 LYS NZ :NH3+ -132:sc= 1.07 (180deg=0.0201) USER MOD Single : A 94 THR OG1 : rot 30:sc= 0.0371 USER MOD Single : A 96 LYS NZ :NH3+ -127:sc= 0.54 (180deg=-0.966!) USER MOD Single : A 97 ASN : amide:sc=-0.00026 K(o=-0.00026,f=-0.51) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= -0.662 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -175:sc= -0.0198 (180deg=-0.0626) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -173:sc= -0.185 (180deg=-0.266) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N SER A 2 3.435 -16.141 -0.904 1.00 23.44 N ATOM 147 CA SER A 2 2.507 -15.232 -0.233 1.00 34.33 C ATOM 148 C SER A 2 3.097 -13.813 -0.141 1.00 60.43 C ATOM 149 O SER A 2 4.297 -13.621 -0.347 1.00 70.02 O ATOM 150 CB SER A 2 2.204 -15.784 1.177 1.00 73.21 C ATOM 151 OG SER A 2 1.222 -16.798 1.113 1.00 2.05 O ATOM 0 HA SER A 2 1.584 -15.167 -0.810 1.00 34.33 H new ATOM 0 HB2 SER A 2 3.116 -16.181 1.622 1.00 73.21 H new ATOM 0 HB3 SER A 2 1.860 -14.977 1.823 1.00 73.21 H new ATOM 0 HG SER A 2 0.331 -16.391 1.123 1.00 2.05 H new ATOM 157 N PHE A 3 2.236 -12.850 0.211 1.00 23.45 N ATOM 158 CA PHE A 3 2.583 -11.447 0.459 1.00 2.14 C ATOM 159 C PHE A 3 3.668 -11.197 1.520 1.00 52.53 C ATOM 160 O PHE A 3 4.298 -10.144 1.468 1.00 51.21 O ATOM 161 CB PHE A 3 1.306 -10.687 0.853 1.00 34.04 C ATOM 162 CG PHE A 3 0.379 -10.321 -0.287 1.00 74.30 C ATOM 163 CD1 PHE A 3 -0.427 -11.301 -0.903 1.00 13.25 C ATOM 164 CD2 PHE A 3 0.375 -9.004 -0.790 1.00 40.41 C ATOM 165 CE1 PHE A 3 -1.280 -10.943 -1.936 1.00 52.23 C ATOM 166 CE2 PHE A 3 -0.479 -8.667 -1.830 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.312 -9.629 -2.381 1.00 64.41 C ATOM 0 H PHE A 3 1.241 -13.035 0.335 1.00 23.45 H new ATOM 0 HA PHE A 3 3.017 -11.087 -0.474 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.750 -11.294 1.568 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.595 -9.772 1.369 1.00 34.04 H new ATOM 0 HD1 PHE A 3 -0.380 -12.328 -0.571 1.00 13.25 H new ATOM 0 HD2 PHE A 3 1.034 -8.260 -0.367 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -1.918 -11.685 -2.393 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -0.495 -7.656 -2.210 1.00 22.04 H new ATOM 0 HZ PHE A 3 -1.996 -9.351 -3.169 1.00 64.41 H new ATOM 177 N SER A 4 3.835 -12.134 2.467 1.00 22.24 N ATOM 178 CA SER A 4 4.639 -11.981 3.676 1.00 22.20 C ATOM 179 C SER A 4 6.130 -11.662 3.432 1.00 22.44 C ATOM 180 O SER A 4 6.765 -12.320 2.608 1.00 34.43 O ATOM 181 CB SER A 4 4.443 -13.231 4.551 1.00 73.43 C ATOM 182 OG SER A 4 5.064 -13.071 5.809 1.00 61.14 O ATOM 0 H SER A 4 3.394 -13.052 2.403 1.00 22.24 H new ATOM 0 HA SER A 4 4.280 -11.093 4.197 1.00 22.20 H new ATOM 0 HB2 SER A 4 3.378 -13.420 4.689 1.00 73.43 H new ATOM 0 HB3 SER A 4 4.858 -14.102 4.045 1.00 73.43 H new ATOM 0 HG SER A 4 4.924 -13.878 6.348 1.00 61.14 H new ATOM 188 N GLY A 5 6.649 -10.686 4.194 1.00 55.21 N ATOM 189 CA GLY A 5 8.044 -10.243 4.146 1.00 62.30 C ATOM 190 C GLY A 5 8.123 -8.724 4.366 1.00 12.11 C ATOM 191 O GLY A 5 7.102 -8.048 4.487 1.00 5.45 O ATOM 0 H GLY A 5 6.092 -10.172 4.877 1.00 55.21 H new ATOM 0 HA2 GLY A 5 8.624 -10.760 4.910 1.00 62.30 H new ATOM 0 HA3 GLY A 5 8.483 -10.502 3.183 1.00 62.30 H new ATOM 195 N LYS A 6 9.361 -8.200 4.391 1.00 62.03 N ATOM 196 CA LYS A 6 9.686 -6.769 4.403 1.00 45.11 C ATOM 197 C LYS A 6 10.134 -6.334 3.003 1.00 1.54 C ATOM 198 O LYS A 6 10.864 -7.081 2.355 1.00 41.23 O ATOM 199 CB LYS A 6 10.820 -6.499 5.411 1.00 53.32 C ATOM 200 CG LYS A 6 10.356 -6.551 6.872 1.00 72.05 C ATOM 201 CD LYS A 6 11.465 -6.239 7.887 1.00 60.24 C ATOM 202 CE LYS A 6 12.516 -7.351 8.013 1.00 31.03 C ATOM 203 NZ LYS A 6 13.544 -6.995 9.004 1.00 25.41 N1+ ATOM 0 H LYS A 6 10.194 -8.789 4.404 1.00 62.03 H new ATOM 0 HA LYS A 6 8.802 -6.203 4.696 1.00 45.11 H new ATOM 0 HB2 LYS A 6 11.612 -7.233 5.262 1.00 53.32 H new ATOM 0 HB3 LYS A 6 11.251 -5.519 5.208 1.00 53.32 H new ATOM 0 HG2 LYS A 6 9.540 -5.841 7.010 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.954 -7.543 7.081 1.00 72.05 H new ATOM 0 HD2 LYS A 6 11.961 -5.313 7.596 1.00 60.24 H new ATOM 0 HD3 LYS A 6 11.013 -6.066 8.864 1.00 60.24 H new ATOM 0 HE2 LYS A 6 12.032 -8.283 8.305 1.00 31.03 H new ATOM 0 HE3 LYS A 6 12.984 -7.525 7.044 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 14.243 -7.763 9.071 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 14.020 -6.118 8.711 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 13.097 -6.852 9.932 1.00 25.41 H new ATOM 217 N TYR A 7 9.704 -5.135 2.579 1.00 52.01 N ATOM 218 CA TYR A 7 9.902 -4.603 1.230 1.00 55.21 C ATOM 219 C TYR A 7 10.245 -3.109 1.304 1.00 73.55 C ATOM 220 O TYR A 7 9.361 -2.312 1.609 1.00 72.24 O ATOM 221 CB TYR A 7 8.626 -4.830 0.380 1.00 63.20 C ATOM 222 CG TYR A 7 8.133 -6.263 0.307 1.00 53.41 C ATOM 223 CD1 TYR A 7 7.211 -6.749 1.258 1.00 60.51 C ATOM 224 CD2 TYR A 7 8.599 -7.120 -0.711 1.00 23.35 C ATOM 225 CE1 TYR A 7 6.793 -8.092 1.214 1.00 40.33 C ATOM 226 CE2 TYR A 7 8.180 -8.462 -0.754 1.00 34.11 C ATOM 227 CZ TYR A 7 7.291 -8.954 0.217 1.00 61.45 C ATOM 228 OH TYR A 7 6.918 -10.265 0.181 1.00 53.42 O ATOM 0 H TYR A 7 9.194 -4.494 3.187 1.00 52.01 H new ATOM 0 HA TYR A 7 10.732 -5.126 0.754 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.826 -4.210 0.785 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.819 -4.479 -0.634 1.00 63.20 H new ATOM 0 HD1 TYR A 7 6.825 -6.089 2.021 1.00 60.51 H new ATOM 0 HD2 TYR A 7 9.280 -6.745 -1.460 1.00 23.35 H new ATOM 0 HE1 TYR A 7 6.090 -8.462 1.945 1.00 40.33 H new ATOM 0 HE2 TYR A 7 8.542 -9.115 -1.534 1.00 34.11 H new ATOM 0 HH TYR A 7 6.040 -10.367 0.604 1.00 53.42 H new ATOM 238 N GLN A 8 11.500 -2.740 0.993 1.00 1.02 N ATOM 239 CA GLN A 8 11.914 -1.337 0.876 1.00 62.04 C ATOM 240 C GLN A 8 11.398 -0.716 -0.434 1.00 10.20 C ATOM 241 O GLN A 8 11.439 -1.372 -1.476 1.00 44.43 O ATOM 242 CB GLN A 8 13.447 -1.214 0.994 1.00 2.50 C ATOM 243 CG GLN A 8 13.961 0.245 1.027 1.00 63.23 C ATOM 244 CD GLN A 8 15.485 0.352 0.976 1.00 52.24 C ATOM 245 OE1 GLN A 8 16.194 -0.410 1.627 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.993 1.322 0.215 1.00 2.00 N ATOM 0 H GLN A 8 12.252 -3.407 0.817 1.00 1.02 H new ATOM 0 HA GLN A 8 11.469 -0.778 1.699 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.773 -1.724 1.900 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.908 -1.732 0.153 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.537 0.791 0.184 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.600 0.729 1.934 1.00 63.23 H new ATOM 0 HE21 GLN A 8 15.371 1.936 -0.312 1.00 2.00 H new ATOM 0 HE22 GLN A 8 17.003 1.450 0.160 1.00 2.00 H new ATOM 255 N LEU A 9 10.981 0.557 -0.343 1.00 0.12 N ATOM 256 CA LEU A 9 10.598 1.437 -1.449 1.00 63.33 C ATOM 257 C LEU A 9 11.692 1.547 -2.525 1.00 42.21 C ATOM 258 O LEU A 9 12.845 1.824 -2.194 1.00 34.12 O ATOM 259 CB LEU A 9 10.234 2.819 -0.849 1.00 4.51 C ATOM 260 CG LEU A 9 9.875 3.944 -1.846 1.00 14.33 C ATOM 261 CD1 LEU A 9 8.682 3.556 -2.741 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.633 5.274 -1.101 1.00 73.22 C ATOM 0 H LEU A 9 10.899 1.023 0.560 1.00 0.12 H new ATOM 0 HA LEU A 9 9.737 1.014 -1.966 1.00 63.33 H new ATOM 0 HB2 LEU A 9 9.390 2.683 -0.173 1.00 4.51 H new ATOM 0 HB3 LEU A 9 11.075 3.158 -0.244 1.00 4.51 H new ATOM 0 HG LEU A 9 10.726 4.088 -2.512 1.00 14.33 H new ATOM 0 HD11 LEU A 9 8.461 4.373 -3.428 1.00 40.25 H new ATOM 0 HD12 LEU A 9 8.931 2.661 -3.311 1.00 40.25 H new ATOM 0 HD13 LEU A 9 7.809 3.359 -2.119 1.00 40.25 H new ATOM 0 HD21 LEU A 9 9.382 6.053 -1.820 1.00 73.22 H new ATOM 0 HD22 LEU A 9 8.811 5.152 -0.396 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.536 5.557 -0.560 1.00 73.22 H new ATOM 274 N GLN A 10 11.283 1.354 -3.787 1.00 32.14 N ATOM 275 CA GLN A 10 12.122 1.523 -4.969 1.00 23.51 C ATOM 276 C GLN A 10 11.779 2.843 -5.668 1.00 33.04 C ATOM 277 O GLN A 10 12.668 3.673 -5.850 1.00 11.12 O ATOM 278 CB GLN A 10 11.922 0.336 -5.943 1.00 41.22 C ATOM 279 CG GLN A 10 12.305 -1.044 -5.384 1.00 70.53 C ATOM 280 CD GLN A 10 13.770 -1.143 -4.960 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.660 -1.186 -5.805 1.00 54.04 O ATOM 282 NE2 GLN A 10 14.024 -1.193 -3.650 1.00 41.31 N ATOM 0 H GLN A 10 10.331 1.068 -4.014 1.00 32.14 H new ATOM 0 HA GLN A 10 13.167 1.547 -4.659 1.00 23.51 H new ATOM 0 HB2 GLN A 10 10.876 0.309 -6.247 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.510 0.522 -6.842 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.671 -1.269 -4.527 1.00 70.53 H new ATOM 0 HG3 GLN A 10 12.101 -1.803 -6.139 1.00 70.53 H new ATOM 0 HE21 GLN A 10 13.256 -1.154 -2.980 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.986 -1.270 -3.320 1.00 41.31 H new ATOM 291 N SER A 11 10.506 2.993 -6.069 1.00 22.42 N ATOM 292 CA SER A 11 10.029 4.074 -6.926 1.00 54.22 C ATOM 293 C SER A 11 8.544 4.360 -6.673 1.00 43.15 C ATOM 294 O SER A 11 7.834 3.514 -6.127 1.00 65.41 O ATOM 295 CB SER A 11 10.267 3.684 -8.403 1.00 55.50 C ATOM 296 OG SER A 11 11.597 3.966 -8.784 1.00 21.52 O ATOM 0 H SER A 11 9.767 2.346 -5.795 1.00 22.42 H new ATOM 0 HA SER A 11 10.580 4.986 -6.696 1.00 54.22 H new ATOM 0 HB2 SER A 11 10.060 2.623 -8.542 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.576 4.230 -9.045 1.00 55.50 H new ATOM 0 HG SER A 11 12.159 4.032 -7.984 1.00 21.52 H new ATOM 302 N GLN A 12 8.104 5.549 -7.112 1.00 52.11 N ATOM 303 CA GLN A 12 6.705 5.961 -7.100 1.00 10.15 C ATOM 304 C GLN A 12 6.458 7.052 -8.155 1.00 32.44 C ATOM 305 O GLN A 12 7.353 7.851 -8.436 1.00 14.54 O ATOM 306 CB GLN A 12 6.246 6.356 -5.671 1.00 74.31 C ATOM 307 CG GLN A 12 6.827 7.648 -5.052 1.00 73.50 C ATOM 308 CD GLN A 12 8.051 7.470 -4.150 1.00 72.40 C ATOM 309 OE1 GLN A 12 8.829 6.531 -4.295 1.00 42.42 O ATOM 310 NE2 GLN A 12 8.242 8.402 -3.212 1.00 0.03 N ATOM 0 H GLN A 12 8.729 6.260 -7.492 1.00 52.11 H new ATOM 0 HA GLN A 12 6.080 5.114 -7.381 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.160 6.451 -5.684 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.486 5.529 -5.003 1.00 74.31 H new ATOM 0 HG2 GLN A 12 7.093 8.327 -5.862 1.00 73.50 H new ATOM 0 HG3 GLN A 12 6.042 8.135 -4.473 1.00 73.50 H new ATOM 0 HE21 GLN A 12 7.579 9.171 -3.115 1.00 0.03 H new ATOM 0 HE22 GLN A 12 9.051 8.345 -2.593 1.00 0.03 H new ATOM 319 N GLU A 13 5.238 7.050 -8.711 1.00 45.34 N ATOM 320 CA GLU A 13 4.767 7.958 -9.756 1.00 24.53 C ATOM 321 C GLU A 13 3.540 8.719 -9.237 1.00 22.40 C ATOM 322 O GLU A 13 2.713 8.127 -8.543 1.00 5.02 O ATOM 323 CB GLU A 13 4.388 7.182 -11.042 1.00 33.31 C ATOM 324 CG GLU A 13 5.524 6.389 -11.733 1.00 43.25 C ATOM 325 CD GLU A 13 5.687 4.920 -11.312 1.00 23.35 C ATOM 326 OE1 GLU A 13 5.370 4.580 -10.151 1.00 25.34 O ATOM 327 OE2 GLU A 13 6.134 4.138 -12.179 1.00 32.21 O1- ATOM 0 H GLU A 13 4.522 6.381 -8.428 1.00 45.34 H new ATOM 0 HA GLU A 13 5.569 8.653 -10.003 1.00 24.53 H new ATOM 0 HB2 GLU A 13 3.587 6.485 -10.796 1.00 33.31 H new ATOM 0 HB3 GLU A 13 3.982 7.893 -11.762 1.00 33.31 H new ATOM 0 HG2 GLU A 13 5.356 6.419 -12.809 1.00 43.25 H new ATOM 0 HG3 GLU A 13 6.465 6.905 -11.543 1.00 43.25 H new ATOM 334 N ASN A 14 3.444 10.013 -9.601 1.00 13.20 N ATOM 335 CA ASN A 14 2.400 10.973 -9.197 1.00 14.42 C ATOM 336 C ASN A 14 2.306 11.144 -7.667 1.00 73.35 C ATOM 337 O ASN A 14 1.206 11.302 -7.137 1.00 12.12 O ATOM 338 CB ASN A 14 1.031 10.625 -9.848 1.00 70.55 C ATOM 339 CG ASN A 14 1.020 10.775 -11.370 1.00 40.33 C ATOM 340 OD1 ASN A 14 1.472 11.785 -11.902 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.475 9.786 -12.080 1.00 12.33 N ATOM 0 H ASN A 14 4.133 10.440 -10.220 1.00 13.20 H new ATOM 0 HA ASN A 14 2.698 11.949 -9.580 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.766 9.599 -9.591 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.262 11.269 -9.422 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.425 9.856 -13.096 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.109 8.960 -11.607 1.00 12.33 H new ATOM 348 N PHE A 15 3.468 11.113 -6.989 1.00 42.24 N ATOM 349 CA PHE A 15 3.595 11.289 -5.544 1.00 12.22 C ATOM 350 C PHE A 15 3.096 12.659 -5.078 1.00 44.34 C ATOM 351 O PHE A 15 2.249 12.716 -4.194 1.00 11.34 O ATOM 352 CB PHE A 15 5.050 11.013 -5.102 1.00 35.14 C ATOM 353 CG PHE A 15 5.331 11.217 -3.620 1.00 0.45 C ATOM 354 CD1 PHE A 15 5.646 12.502 -3.130 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.080 10.182 -2.693 1.00 61.51 C ATOM 356 CE1 PHE A 15 5.737 12.722 -1.766 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.223 10.413 -1.332 1.00 10.43 C ATOM 358 CZ PHE A 15 5.551 11.679 -0.871 1.00 3.43 C ATOM 0 H PHE A 15 4.365 10.960 -7.451 1.00 42.24 H new ATOM 0 HA PHE A 15 2.948 10.560 -5.056 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.303 9.986 -5.365 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.715 11.661 -5.673 1.00 35.14 H new ATOM 0 HD1 PHE A 15 5.816 13.315 -3.820 1.00 63.43 H new ATOM 0 HD2 PHE A 15 4.776 9.207 -3.044 1.00 61.51 H new ATOM 0 HE1 PHE A 15 5.954 13.713 -1.396 1.00 31.02 H new ATOM 0 HE2 PHE A 15 5.078 9.605 -0.630 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.662 11.853 0.189 1.00 3.43 H new ATOM 368 N GLU A 16 3.629 13.719 -5.702 1.00 1.55 N ATOM 369 CA GLU A 16 3.362 15.120 -5.396 1.00 11.22 C ATOM 370 C GLU A 16 1.889 15.497 -5.613 1.00 51.52 C ATOM 371 O GLU A 16 1.325 16.219 -4.793 1.00 62.13 O ATOM 372 CB GLU A 16 4.286 16.048 -6.225 1.00 73.44 C ATOM 373 CG GLU A 16 5.777 15.641 -6.318 1.00 44.03 C ATOM 374 CD GLU A 16 6.120 14.785 -7.547 1.00 73.15 C ATOM 375 OE1 GLU A 16 6.956 15.258 -8.345 1.00 1.33 O ATOM 376 OE2 GLU A 16 5.551 13.679 -7.675 1.00 53.41 O1- ATOM 0 H GLU A 16 4.290 13.610 -6.471 1.00 1.55 H new ATOM 0 HA GLU A 16 3.577 15.259 -4.337 1.00 11.22 H new ATOM 0 HB2 GLU A 16 3.886 16.110 -7.237 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.233 17.050 -5.799 1.00 73.44 H new ATOM 0 HG2 GLU A 16 6.388 16.543 -6.336 1.00 44.03 H new ATOM 0 HG3 GLU A 16 6.049 15.090 -5.418 1.00 44.03 H new ATOM 383 N ALA A 17 1.300 14.963 -6.698 1.00 1.05 N ATOM 384 CA ALA A 17 -0.100 15.127 -7.070 1.00 12.24 C ATOM 385 C ALA A 17 -1.064 14.447 -6.084 1.00 4.04 C ATOM 386 O ALA A 17 -2.076 15.048 -5.734 1.00 65.25 O ATOM 387 CB ALA A 17 -0.297 14.585 -8.494 1.00 32.13 C ATOM 0 H ALA A 17 1.815 14.383 -7.361 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.340 16.190 -7.034 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.341 14.701 -8.786 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.337 15.140 -9.185 1.00 32.13 H new ATOM 0 HB3 ALA A 17 -0.028 13.529 -8.522 1.00 32.13 H new ATOM 393 N PHE A 18 -0.720 13.223 -5.644 1.00 52.01 N ATOM 394 CA PHE A 18 -1.515 12.433 -4.705 1.00 64.21 C ATOM 395 C PHE A 18 -1.401 12.927 -3.261 1.00 44.51 C ATOM 396 O PHE A 18 -2.426 13.011 -2.588 1.00 52.34 O ATOM 397 CB PHE A 18 -1.134 10.951 -4.847 1.00 12.02 C ATOM 398 CG PHE A 18 -1.943 9.967 -4.012 1.00 33.13 C ATOM 399 CD1 PHE A 18 -1.529 9.615 -2.708 1.00 2.05 C ATOM 400 CD2 PHE A 18 -3.191 9.506 -4.480 1.00 22.11 C ATOM 401 CE1 PHE A 18 -2.316 8.774 -1.933 1.00 10.12 C ATOM 402 CE2 PHE A 18 -3.959 8.657 -3.695 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.522 8.291 -2.427 1.00 10.15 C ATOM 0 H PHE A 18 0.135 12.753 -5.941 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.568 12.556 -4.959 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.231 10.671 -5.896 1.00 12.02 H new ATOM 0 HB3 PHE A 18 -0.082 10.841 -4.583 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -0.600 10.000 -2.314 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -3.550 9.814 -5.451 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -1.990 8.494 -0.942 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -4.899 8.280 -4.070 1.00 65.33 H new ATOM 0 HZ PHE A 18 -4.123 7.628 -1.823 1.00 10.15 H new ATOM 413 N MET A 19 -0.175 13.266 -2.822 1.00 62.31 N ATOM 414 CA MET A 19 0.102 13.791 -1.485 1.00 51.31 C ATOM 415 C MET A 19 -0.494 15.199 -1.268 1.00 14.44 C ATOM 416 O MET A 19 -0.866 15.517 -0.141 1.00 65.41 O ATOM 417 CB MET A 19 1.616 13.733 -1.182 1.00 62.30 C ATOM 418 CG MET A 19 1.925 13.474 0.306 1.00 22.14 C ATOM 419 SD MET A 19 2.533 11.814 0.736 1.00 35.13 S ATOM 420 CE MET A 19 1.396 10.722 -0.161 1.00 52.42 C ATOM 0 H MET A 19 0.660 13.179 -3.401 1.00 62.31 H new ATOM 0 HA MET A 19 -0.403 13.148 -0.764 1.00 51.31 H new ATOM 0 HB2 MET A 19 2.071 12.946 -1.784 1.00 62.30 H new ATOM 0 HB3 MET A 19 2.077 14.673 -1.485 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.667 14.203 0.632 1.00 22.14 H new ATOM 0 HG3 MET A 19 1.018 13.664 0.880 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.623 9.683 0.080 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.370 10.947 0.130 1.00 52.42 H new ATOM 0 HE3 MET A 19 1.511 10.879 -1.234 1.00 52.42 H new ATOM 430 N LYS A 20 -0.646 15.986 -2.351 1.00 1.35 N ATOM 431 CA LYS A 20 -1.436 17.220 -2.360 1.00 40.15 C ATOM 432 C LYS A 20 -2.945 16.928 -2.259 1.00 62.15 C ATOM 433 O LYS A 20 -3.618 17.572 -1.456 1.00 53.14 O ATOM 434 CB LYS A 20 -1.095 18.069 -3.611 1.00 35.11 C ATOM 435 CG LYS A 20 -1.914 19.374 -3.740 1.00 52.34 C ATOM 436 CD LYS A 20 -1.652 20.179 -5.022 1.00 1.33 C ATOM 437 CE LYS A 20 -0.273 20.849 -5.073 1.00 34.32 C ATOM 438 NZ LYS A 20 -0.154 21.726 -6.251 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.216 15.775 -3.252 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.171 17.801 -1.477 1.00 40.15 H new ATOM 0 HB2 LYS A 20 -0.035 18.321 -3.586 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -1.258 17.463 -4.502 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.974 19.126 -3.695 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -1.698 20.008 -2.880 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -1.753 19.516 -5.881 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -2.420 20.946 -5.119 1.00 1.33 H new ATOM 0 HE2 LYS A 20 -0.114 21.431 -4.165 1.00 34.32 H new ATOM 0 HE3 LYS A 20 0.505 20.086 -5.103 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 0.788 22.167 -6.262 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -0.283 21.164 -7.117 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -0.883 22.467 -6.207 1.00 60.21 H new ATOM 452 N ALA A 21 -3.441 15.989 -3.087 1.00 12.13 N ATOM 453 CA ALA A 21 -4.863 15.663 -3.232 1.00 12.14 C ATOM 454 C ALA A 21 -5.529 15.088 -1.968 1.00 25.12 C ATOM 455 O ALA A 21 -6.707 15.366 -1.751 1.00 2.15 O ATOM 456 CB ALA A 21 -5.056 14.720 -4.429 1.00 42.34 C ATOM 0 H ALA A 21 -2.842 15.423 -3.688 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.373 16.610 -3.406 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.114 14.479 -4.535 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.702 15.208 -5.337 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.489 13.803 -4.265 1.00 42.34 H new ATOM 462 N ILE A 22 -4.771 14.337 -1.149 1.00 75.12 N ATOM 463 CA ILE A 22 -5.223 13.843 0.159 1.00 35.51 C ATOM 464 C ILE A 22 -5.236 14.929 1.259 1.00 73.45 C ATOM 465 O ILE A 22 -5.914 14.733 2.266 1.00 23.31 O ATOM 466 CB ILE A 22 -4.377 12.638 0.659 1.00 70.33 C ATOM 467 CG1 ILE A 22 -2.881 12.972 0.875 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.579 11.413 -0.257 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.060 11.837 1.496 1.00 1.15 C ATOM 0 H ILE A 22 -3.819 14.055 -1.381 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.250 13.522 -0.015 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.750 12.386 1.652 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.439 13.240 -0.085 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.807 13.850 1.516 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -3.978 10.581 0.110 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.631 11.129 -0.257 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.270 11.663 -1.272 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.025 12.158 1.611 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.472 11.582 2.473 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.099 10.962 0.847 1.00 1.15 H new ATOM 481 N GLY A 23 -4.532 16.055 1.043 1.00 70.33 N ATOM 482 CA GLY A 23 -4.560 17.215 1.932 1.00 22.51 C ATOM 483 C GLY A 23 -3.389 17.244 2.925 1.00 33.33 C ATOM 484 O GLY A 23 -3.485 17.972 3.914 1.00 32.51 O ATOM 0 H GLY A 23 -3.923 16.179 0.235 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.542 18.125 1.332 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.498 17.217 2.487 1.00 22.51 H new ATOM 488 N LEU A 24 -2.291 16.501 2.682 1.00 51.21 N ATOM 489 CA LEU A 24 -1.041 16.626 3.448 1.00 40.21 C ATOM 490 C LEU A 24 -0.354 17.975 3.118 1.00 64.14 C ATOM 491 O LEU A 24 -0.372 18.376 1.951 1.00 12.25 O ATOM 492 CB LEU A 24 -0.093 15.440 3.118 1.00 21.34 C ATOM 493 CG LEU A 24 0.039 14.390 4.243 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.281 13.644 4.513 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.210 13.421 3.982 1.00 73.21 C ATOM 0 H LEU A 24 -2.249 15.796 1.946 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.271 16.601 4.513 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.453 14.944 2.217 1.00 21.34 H new ATOM 0 HB3 LEU A 24 0.897 15.836 2.890 1.00 21.34 H new ATOM 0 HG LEU A 24 0.271 14.938 5.157 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -1.132 12.918 5.312 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -2.049 14.359 4.810 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.598 13.127 3.608 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.271 12.697 4.795 1.00 73.21 H new ATOM 0 HD22 LEU A 24 1.046 12.897 3.041 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.142 13.983 3.926 1.00 73.21 H new ATOM 507 N PRO A 25 0.240 18.650 4.133 1.00 71.41 N ATOM 508 CA PRO A 25 0.943 19.933 3.933 1.00 32.11 C ATOM 509 C PRO A 25 2.189 19.778 3.045 1.00 31.01 C ATOM 510 O PRO A 25 2.857 18.747 3.126 1.00 43.43 O ATOM 511 CB PRO A 25 1.303 20.374 5.361 1.00 31.20 C ATOM 512 CG PRO A 25 1.434 19.079 6.140 1.00 71.02 C ATOM 513 CD PRO A 25 0.355 18.199 5.523 1.00 65.43 C ATOM 0 HA PRO A 25 0.332 20.668 3.409 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.233 20.942 5.378 1.00 31.20 H new ATOM 0 HB3 PRO A 25 0.530 21.015 5.785 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.425 18.640 6.029 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.270 19.231 7.207 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.629 17.145 5.574 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.592 18.308 6.052 1.00 65.43 H new ATOM 521 N GLU A 26 2.455 20.796 2.206 1.00 4.45 N ATOM 522 CA GLU A 26 3.502 20.801 1.176 1.00 4.32 C ATOM 523 C GLU A 26 4.917 20.461 1.678 1.00 42.12 C ATOM 524 O GLU A 26 5.685 19.867 0.925 1.00 64.11 O ATOM 525 CB GLU A 26 3.469 22.140 0.404 1.00 30.35 C ATOM 526 CG GLU A 26 4.425 22.201 -0.809 1.00 51.21 C ATOM 527 CD GLU A 26 4.398 23.562 -1.495 1.00 74.13 C ATOM 528 OE1 GLU A 26 3.505 23.759 -2.348 1.00 53.40 O ATOM 529 OE2 GLU A 26 5.279 24.380 -1.155 1.00 73.13 O1- ATOM 0 H GLU A 26 1.926 21.668 2.230 1.00 4.45 H new ATOM 0 HA GLU A 26 3.265 19.979 0.500 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.451 22.321 0.059 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.721 22.948 1.091 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.441 21.982 -0.480 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.148 21.429 -1.527 1.00 51.21 H new ATOM 536 N GLU A 27 5.232 20.797 2.937 1.00 23.43 N ATOM 537 CA GLU A 27 6.522 20.484 3.546 1.00 42.32 C ATOM 538 C GLU A 27 6.719 18.976 3.803 1.00 60.41 C ATOM 539 O GLU A 27 7.829 18.491 3.607 1.00 20.41 O ATOM 540 CB GLU A 27 6.720 21.383 4.778 1.00 44.32 C ATOM 541 CG GLU A 27 8.152 21.349 5.347 1.00 65.14 C ATOM 542 CD GLU A 27 8.598 22.734 5.811 1.00 54.33 C ATOM 543 OE1 GLU A 27 8.557 22.977 7.035 1.00 1.32 O ATOM 544 OE2 GLU A 27 8.962 23.529 4.918 1.00 2.33 O1- ATOM 0 H GLU A 27 4.594 21.294 3.559 1.00 23.43 H new ATOM 0 HA GLU A 27 7.323 20.712 2.843 1.00 42.32 H new ATOM 0 HB2 GLU A 27 6.469 22.410 4.512 1.00 44.32 H new ATOM 0 HB3 GLU A 27 6.022 21.076 5.557 1.00 44.32 H new ATOM 0 HG2 GLU A 27 8.197 20.651 6.183 1.00 65.14 H new ATOM 0 HG3 GLU A 27 8.839 20.979 4.586 1.00 65.14 H new ATOM 551 N LEU A 28 5.639 18.244 4.137 1.00 0.12 N ATOM 552 CA LEU A 28 5.634 16.778 4.201 1.00 12.23 C ATOM 553 C LEU A 28 5.618 16.107 2.812 1.00 43.24 C ATOM 554 O LEU A 28 6.029 14.951 2.727 1.00 61.10 O ATOM 555 CB LEU A 28 4.451 16.272 5.061 1.00 51.32 C ATOM 556 CG LEU A 28 4.533 16.635 6.563 1.00 2.11 C ATOM 557 CD1 LEU A 28 3.268 16.156 7.307 1.00 52.22 C ATOM 558 CD2 LEU A 28 5.823 16.116 7.233 1.00 72.24 C ATOM 0 H LEU A 28 4.739 18.662 4.372 1.00 0.12 H new ATOM 0 HA LEU A 28 6.573 16.489 4.674 1.00 12.23 H new ATOM 0 HB2 LEU A 28 3.525 16.679 4.654 1.00 51.32 H new ATOM 0 HB3 LEU A 28 4.391 15.188 4.967 1.00 51.32 H new ATOM 0 HG LEU A 28 4.578 17.722 6.630 1.00 2.11 H new ATOM 0 HD11 LEU A 28 3.344 16.420 8.362 1.00 52.22 H new ATOM 0 HD12 LEU A 28 2.389 16.635 6.876 1.00 52.22 H new ATOM 0 HD13 LEU A 28 3.176 15.074 7.210 1.00 52.22 H new ATOM 0 HD21 LEU A 28 5.826 16.400 8.285 1.00 72.24 H new ATOM 0 HD22 LEU A 28 5.864 15.030 7.150 1.00 72.24 H new ATOM 0 HD23 LEU A 28 6.691 16.551 6.737 1.00 72.24 H new ATOM 570 N ILE A 29 5.194 16.825 1.754 1.00 60.55 N ATOM 571 CA ILE A 29 5.302 16.361 0.366 1.00 71.25 C ATOM 572 C ILE A 29 6.769 16.456 -0.109 1.00 13.24 C ATOM 573 O ILE A 29 7.329 15.456 -0.555 1.00 22.23 O ATOM 574 CB ILE A 29 4.409 17.159 -0.639 1.00 2.25 C ATOM 575 CG1 ILE A 29 2.935 17.244 -0.176 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.501 16.589 -2.075 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.026 18.083 -1.085 1.00 11.22 C ATOM 0 H ILE A 29 4.766 17.746 1.843 1.00 60.55 H new ATOM 0 HA ILE A 29 4.948 15.330 0.371 1.00 71.25 H new ATOM 0 HB ILE A 29 4.806 18.174 -0.657 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.530 16.234 -0.111 1.00 22.34 H new ATOM 0 HG13 ILE A 29 2.908 17.663 0.830 1.00 22.34 H new ATOM 0 HG21 ILE A 29 3.865 17.173 -2.740 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.533 16.641 -2.422 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.170 15.551 -2.076 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.013 18.086 -0.683 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.401 19.105 -1.131 1.00 11.22 H new ATOM 0 HD13 ILE A 29 2.017 17.654 -2.087 1.00 11.22 H new ATOM 589 N GLN A 30 7.374 17.648 0.023 1.00 32.25 N ATOM 590 CA GLN A 30 8.739 17.945 -0.421 1.00 61.21 C ATOM 591 C GLN A 30 9.846 17.217 0.359 1.00 51.51 C ATOM 592 O GLN A 30 10.937 17.050 -0.184 1.00 1.33 O ATOM 593 CB GLN A 30 8.961 19.474 -0.419 1.00 10.35 C ATOM 594 CG GLN A 30 8.113 20.256 -1.447 1.00 51.13 C ATOM 595 CD GLN A 30 8.328 19.800 -2.892 1.00 55.11 C ATOM 596 OE1 GLN A 30 9.445 19.845 -3.404 1.00 12.32 O ATOM 597 NE2 GLN A 30 7.260 19.358 -3.558 1.00 72.51 N ATOM 0 H GLN A 30 6.913 18.450 0.453 1.00 32.25 H new ATOM 0 HA GLN A 30 8.823 17.553 -1.435 1.00 61.21 H new ATOM 0 HB2 GLN A 30 8.742 19.857 0.578 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.015 19.674 -0.612 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.058 20.147 -1.194 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.351 21.317 -1.370 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.348 19.335 -3.102 1.00 72.51 H new ATOM 0 HE22 GLN A 30 7.355 19.043 -4.524 1.00 72.51 H new ATOM 606 N LYS A 31 9.551 16.773 1.591 1.00 43.00 N ATOM 607 CA LYS A 31 10.447 15.935 2.386 1.00 3.12 C ATOM 608 C LYS A 31 10.175 14.446 2.116 1.00 74.44 C ATOM 609 O LYS A 31 11.130 13.706 1.880 1.00 12.13 O ATOM 610 CB LYS A 31 10.308 16.303 3.879 1.00 33.32 C ATOM 611 CG LYS A 31 10.806 17.732 4.180 1.00 45.12 C ATOM 612 CD LYS A 31 10.444 18.236 5.589 1.00 12.15 C ATOM 613 CE LYS A 31 11.416 17.795 6.691 1.00 65.13 C ATOM 614 NZ LYS A 31 12.708 18.495 6.577 1.00 3.44 N1+ ATOM 0 H LYS A 31 8.674 16.991 2.063 1.00 43.00 H new ATOM 0 HA LYS A 31 11.481 16.119 2.095 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.263 16.215 4.177 1.00 33.32 H new ATOM 0 HB3 LYS A 31 10.872 15.590 4.480 1.00 33.32 H new ATOM 0 HG2 LYS A 31 11.889 17.761 4.062 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.386 18.415 3.442 1.00 45.12 H new ATOM 0 HD2 LYS A 31 10.403 19.325 5.572 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.444 17.883 5.842 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.976 17.995 7.668 1.00 65.13 H new ATOM 0 HE3 LYS A 31 11.576 16.719 6.628 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 13.287 18.294 7.417 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 13.207 18.167 5.726 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 12.543 19.519 6.508 1.00 3.44 H new ATOM 628 N GLY A 32 8.891 14.042 2.123 1.00 50.40 N ATOM 629 CA GLY A 32 8.439 12.650 2.019 1.00 15.11 C ATOM 630 C GLY A 32 8.713 11.989 0.658 1.00 24.21 C ATOM 631 O GLY A 32 8.730 10.760 0.596 1.00 34.34 O ATOM 0 H GLY A 32 8.117 14.701 2.204 1.00 50.40 H new ATOM 0 HA2 GLY A 32 8.927 12.064 2.798 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.368 12.614 2.217 1.00 15.11 H new ATOM 635 N LYS A 33 8.952 12.773 -0.409 1.00 12.04 N ATOM 636 CA LYS A 33 9.326 12.278 -1.739 1.00 4.24 C ATOM 637 C LYS A 33 10.722 11.617 -1.777 1.00 31.01 C ATOM 638 O LYS A 33 10.941 10.754 -2.626 1.00 75.03 O ATOM 639 CB LYS A 33 9.190 13.422 -2.775 1.00 50.23 C ATOM 640 CG LYS A 33 10.214 14.564 -2.642 1.00 63.12 C ATOM 641 CD LYS A 33 10.021 15.670 -3.690 1.00 33.54 C ATOM 642 CE LYS A 33 11.168 16.693 -3.668 1.00 3.24 C ATOM 643 NZ LYS A 33 11.022 17.696 -4.733 1.00 40.25 N1+ ATOM 0 H LYS A 33 8.888 13.790 -0.366 1.00 12.04 H new ATOM 0 HA LYS A 33 8.634 11.478 -2.002 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.276 12.995 -3.774 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.189 13.845 -2.694 1.00 50.23 H new ATOM 0 HG2 LYS A 33 10.138 14.999 -1.645 1.00 63.12 H new ATOM 0 HG3 LYS A 33 11.220 14.155 -2.735 1.00 63.12 H new ATOM 0 HD2 LYS A 33 9.954 15.222 -4.681 1.00 33.54 H new ATOM 0 HD3 LYS A 33 9.076 16.181 -3.507 1.00 33.54 H new ATOM 0 HE2 LYS A 33 11.192 17.192 -2.699 1.00 3.24 H new ATOM 0 HE3 LYS A 33 12.120 16.175 -3.784 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 11.963 18.014 -5.042 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 10.517 17.276 -5.539 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 10.483 18.509 -4.373 1.00 40.25 H new ATOM 657 N ASP A 34 11.615 12.025 -0.857 1.00 62.15 N ATOM 658 CA ASP A 34 12.994 11.540 -0.720 1.00 21.33 C ATOM 659 C ASP A 34 13.229 10.685 0.537 1.00 71.54 C ATOM 660 O ASP A 34 14.299 10.080 0.618 1.00 72.31 O ATOM 661 CB ASP A 34 14.032 12.684 -0.796 1.00 41.55 C ATOM 662 CG ASP A 34 14.044 13.406 -2.144 1.00 64.03 C ATOM 663 OD1 ASP A 34 13.873 14.644 -2.142 1.00 3.04 O ATOM 664 OD2 ASP A 34 14.296 12.711 -3.153 1.00 22.15 O1- ATOM 0 H ASP A 34 11.382 12.732 -0.160 1.00 62.15 H new ATOM 0 HA ASP A 34 13.141 10.885 -1.579 1.00 21.33 H new ATOM 0 HB2 ASP A 34 13.823 13.407 -0.007 1.00 41.55 H new ATOM 0 HB3 ASP A 34 15.024 12.277 -0.601 1.00 41.55 H new ATOM 669 N ILE A 35 12.258 10.593 1.470 1.00 31.14 N ATOM 670 CA ILE A 35 12.340 9.633 2.575 1.00 55.24 C ATOM 671 C ILE A 35 12.027 8.222 2.043 1.00 62.22 C ATOM 672 O ILE A 35 10.867 7.902 1.774 1.00 12.45 O ATOM 673 CB ILE A 35 11.415 9.953 3.790 1.00 1.50 C ATOM 674 CG1 ILE A 35 11.708 11.338 4.411 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.479 8.866 4.890 1.00 34.10 C ATOM 676 CD1 ILE A 35 13.154 11.567 4.875 1.00 60.03 C ATOM 0 H ILE A 35 11.417 11.170 1.475 1.00 31.14 H new ATOM 0 HA ILE A 35 13.358 9.700 2.958 1.00 55.24 H new ATOM 0 HB ILE A 35 10.405 9.967 3.381 1.00 1.50 H new ATOM 0 HG12 ILE A 35 11.455 12.105 3.679 1.00 2.13 H new ATOM 0 HG13 ILE A 35 11.045 11.481 5.264 1.00 2.13 H new ATOM 0 HG21 ILE A 35 10.816 9.140 5.711 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.165 7.909 4.474 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.501 8.783 5.261 1.00 34.10 H new ATOM 0 HD11 ILE A 35 13.247 12.569 5.294 1.00 60.03 H new ATOM 0 HD12 ILE A 35 13.413 10.830 5.636 1.00 60.03 H new ATOM 0 HD13 ILE A 35 13.829 11.464 4.026 1.00 60.03 H new ATOM 688 N LYS A 36 13.102 7.434 1.888 1.00 74.41 N ATOM 689 CA LYS A 36 13.120 6.034 1.472 1.00 33.25 C ATOM 690 C LYS A 36 12.349 5.149 2.463 1.00 45.41 C ATOM 691 O LYS A 36 12.866 4.798 3.524 1.00 40.12 O ATOM 692 CB LYS A 36 14.592 5.605 1.261 1.00 5.55 C ATOM 693 CG LYS A 36 15.529 5.797 2.481 1.00 63.32 C ATOM 694 CD LYS A 36 16.831 6.548 2.151 1.00 41.44 C ATOM 695 CE LYS A 36 17.815 5.765 1.269 1.00 21.10 C ATOM 696 NZ LYS A 36 18.380 4.606 1.983 1.00 52.24 N1+ ATOM 0 H LYS A 36 14.043 7.788 2.063 1.00 74.41 H new ATOM 0 HA LYS A 36 12.598 5.908 0.523 1.00 33.25 H new ATOM 0 HB2 LYS A 36 14.607 4.553 0.976 1.00 5.55 H new ATOM 0 HB3 LYS A 36 14.999 6.169 0.421 1.00 5.55 H new ATOM 0 HG2 LYS A 36 14.992 6.343 3.257 1.00 63.32 H new ATOM 0 HG3 LYS A 36 15.779 4.819 2.893 1.00 63.32 H new ATOM 0 HD2 LYS A 36 16.579 7.483 1.650 1.00 41.44 H new ATOM 0 HD3 LYS A 36 17.330 6.811 3.084 1.00 41.44 H new ATOM 0 HE2 LYS A 36 17.305 5.425 0.368 1.00 21.10 H new ATOM 0 HE3 LYS A 36 18.622 6.424 0.949 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 19.102 4.151 1.389 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 18.814 4.924 2.873 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 17.623 3.924 2.192 1.00 52.24 H new ATOM 710 N GLY A 37 11.092 4.858 2.101 1.00 23.34 N ATOM 711 CA GLY A 37 10.146 4.135 2.936 1.00 45.33 C ATOM 712 C GLY A 37 10.461 2.637 2.981 1.00 41.21 C ATOM 713 O GLY A 37 11.205 2.107 2.154 1.00 4.23 O ATOM 0 H GLY A 37 10.704 5.129 1.197 1.00 23.34 H new ATOM 0 HA2 GLY A 37 10.168 4.542 3.947 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.136 4.283 2.554 1.00 45.33 H new ATOM 717 N VAL A 38 9.845 1.958 3.954 1.00 63.12 N ATOM 718 CA VAL A 38 9.836 0.509 4.079 1.00 63.14 C ATOM 719 C VAL A 38 8.393 0.078 4.355 1.00 60.44 C ATOM 720 O VAL A 38 7.706 0.708 5.154 1.00 44.23 O ATOM 721 CB VAL A 38 10.753 0.003 5.233 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.673 -1.523 5.474 1.00 54.02 C ATOM 723 CG2 VAL A 38 12.223 0.395 5.002 1.00 31.32 C ATOM 0 H VAL A 38 9.324 2.423 4.697 1.00 63.12 H new ATOM 0 HA VAL A 38 10.221 0.077 3.155 1.00 63.14 H new ATOM 0 HB VAL A 38 10.370 0.497 6.126 1.00 70.34 H new ATOM 0 HG11 VAL A 38 11.339 -1.798 6.292 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.650 -1.798 5.731 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.973 -2.051 4.569 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.832 0.025 5.827 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.574 -0.043 4.067 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.306 1.480 4.948 1.00 31.32 H new ATOM 733 N SER A 39 7.979 -1.007 3.695 1.00 2.42 N ATOM 734 CA SER A 39 6.728 -1.706 3.937 1.00 44.24 C ATOM 735 C SER A 39 7.043 -3.077 4.551 1.00 54.13 C ATOM 736 O SER A 39 8.138 -3.607 4.369 1.00 2.40 O ATOM 737 CB SER A 39 5.963 -1.806 2.599 1.00 2.01 C ATOM 738 OG SER A 39 4.719 -2.465 2.729 1.00 13.42 O ATOM 0 H SER A 39 8.531 -1.433 2.951 1.00 2.42 H new ATOM 0 HA SER A 39 6.091 -1.174 4.643 1.00 44.24 H new ATOM 0 HB2 SER A 39 5.799 -0.804 2.203 1.00 2.01 H new ATOM 0 HB3 SER A 39 6.577 -2.339 1.873 1.00 2.01 H new ATOM 0 HG SER A 39 4.322 -2.245 3.597 1.00 13.42 H new ATOM 744 N GLU A 40 6.056 -3.630 5.260 1.00 10.33 N ATOM 745 CA GLU A 40 6.062 -5.002 5.745 1.00 32.53 C ATOM 746 C GLU A 40 4.635 -5.533 5.618 1.00 52.00 C ATOM 747 O GLU A 40 3.688 -4.765 5.756 1.00 5.23 O ATOM 748 CB GLU A 40 6.656 -5.054 7.169 1.00 74.12 C ATOM 749 CG GLU A 40 6.780 -6.468 7.774 1.00 23.34 C ATOM 750 CD GLU A 40 7.476 -6.487 9.142 1.00 35.54 C ATOM 751 OE1 GLU A 40 8.266 -5.555 9.416 1.00 3.21 O ATOM 752 OE2 GLU A 40 7.227 -7.459 9.885 1.00 73.21 O1- ATOM 0 H GLU A 40 5.212 -3.119 5.516 1.00 10.33 H new ATOM 0 HA GLU A 40 6.706 -5.655 5.156 1.00 32.53 H new ATOM 0 HB2 GLU A 40 7.645 -4.595 7.151 1.00 74.12 H new ATOM 0 HB3 GLU A 40 6.035 -4.447 7.828 1.00 74.12 H new ATOM 0 HG2 GLU A 40 5.785 -6.900 7.875 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.335 -7.103 7.084 1.00 23.34 H new ATOM 759 N ILE A 41 4.502 -6.822 5.291 1.00 61.23 N ATOM 760 CA ILE A 41 3.207 -7.443 5.044 1.00 42.43 C ATOM 761 C ILE A 41 3.216 -8.827 5.712 1.00 63.52 C ATOM 762 O ILE A 41 4.281 -9.428 5.867 1.00 75.40 O ATOM 763 CB ILE A 41 2.888 -7.607 3.522 1.00 2.44 C ATOM 764 CG1 ILE A 41 3.354 -6.407 2.656 1.00 52.20 C ATOM 765 CG2 ILE A 41 1.375 -7.851 3.307 1.00 14.43 C ATOM 766 CD1 ILE A 41 3.257 -6.638 1.145 1.00 12.11 C ATOM 0 H ILE A 41 5.292 -7.460 5.191 1.00 61.23 H new ATOM 0 HA ILE A 41 2.434 -6.795 5.457 1.00 42.43 H new ATOM 0 HB ILE A 41 3.458 -8.475 3.189 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.756 -5.534 2.916 1.00 52.20 H new ATOM 0 HG13 ILE A 41 4.388 -6.172 2.909 1.00 52.20 H new ATOM 0 HG21 ILE A 41 1.172 -7.963 2.242 1.00 14.43 H new ATOM 0 HG22 ILE A 41 1.075 -8.759 3.831 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.811 -7.004 3.697 1.00 14.43 H new ATOM 0 HD11 ILE A 41 3.603 -5.749 0.618 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.878 -7.489 0.866 1.00 12.11 H new ATOM 0 HD13 ILE A 41 2.221 -6.841 0.874 1.00 12.11 H new ATOM 778 N VAL A 42 2.027 -9.288 6.121 1.00 61.12 N ATOM 779 CA VAL A 42 1.792 -10.594 6.728 1.00 35.52 C ATOM 780 C VAL A 42 0.453 -11.121 6.177 1.00 4.05 C ATOM 781 O VAL A 42 -0.491 -10.341 6.033 1.00 65.04 O ATOM 782 CB VAL A 42 1.674 -10.516 8.282 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.666 -11.909 8.940 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.774 -9.660 8.941 1.00 72.01 C ATOM 0 H VAL A 42 1.173 -8.737 6.033 1.00 61.12 H new ATOM 0 HA VAL A 42 2.635 -11.243 6.489 1.00 35.52 H new ATOM 0 HB VAL A 42 0.715 -10.028 8.455 1.00 31.23 H new ATOM 0 HG11 VAL A 42 1.582 -11.800 10.021 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.818 -12.483 8.566 1.00 33.13 H new ATOM 0 HG13 VAL A 42 2.592 -12.431 8.698 1.00 33.13 H new ATOM 0 HG21 VAL A 42 2.629 -9.651 10.021 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.752 -10.083 8.709 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.720 -8.641 8.559 1.00 72.01 H new ATOM 794 N GLN A 43 0.393 -12.432 5.897 1.00 74.40 N ATOM 795 CA GLN A 43 -0.806 -13.122 5.425 1.00 30.22 C ATOM 796 C GLN A 43 -1.120 -14.279 6.385 1.00 35.33 C ATOM 797 O GLN A 43 -0.248 -15.111 6.640 1.00 41.12 O ATOM 798 CB GLN A 43 -0.581 -13.578 3.967 1.00 42.11 C ATOM 799 CG GLN A 43 -1.793 -14.298 3.339 1.00 34.04 C ATOM 800 CD GLN A 43 -1.665 -14.518 1.828 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.634 -14.233 1.218 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.731 -15.030 1.210 1.00 12.51 N ATOM 0 H GLN A 43 1.198 -13.051 5.996 1.00 74.40 H new ATOM 0 HA GLN A 43 -1.675 -12.464 5.421 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.334 -12.708 3.359 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.281 -14.244 3.935 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -1.924 -15.263 3.828 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.693 -13.716 3.537 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.570 -15.256 1.744 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.706 -15.196 0.204 1.00 12.51 H new ATOM 811 N ASN A 44 -2.362 -14.293 6.893 1.00 25.45 N ATOM 812 CA ASN A 44 -2.893 -15.256 7.861 1.00 44.42 C ATOM 813 C ASN A 44 -4.275 -15.712 7.370 1.00 53.04 C ATOM 814 O ASN A 44 -5.292 -15.362 7.972 1.00 61.10 O ATOM 815 CB ASN A 44 -2.956 -14.590 9.261 1.00 64.41 C ATOM 816 CG ASN A 44 -1.595 -14.446 9.944 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.916 -15.438 10.196 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.208 -13.214 10.279 1.00 74.22 N ATOM 0 H ASN A 44 -3.056 -13.596 6.624 1.00 25.45 H new ATOM 0 HA ASN A 44 -2.251 -16.133 7.948 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.408 -13.603 9.162 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.612 -15.178 9.902 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.321 -13.072 10.761 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -1.799 -12.414 10.053 1.00 74.22 H new ATOM 825 N GLY A 45 -4.285 -16.491 6.275 1.00 55.11 N ATOM 826 CA GLY A 45 -5.500 -17.037 5.669 1.00 22.41 C ATOM 827 C GLY A 45 -6.280 -15.909 4.986 1.00 72.11 C ATOM 828 O GLY A 45 -5.809 -15.339 4.000 1.00 3.32 O ATOM 0 H GLY A 45 -3.433 -16.760 5.782 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -5.242 -17.808 4.942 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -6.118 -17.512 6.431 1.00 22.41 H new ATOM 832 N LYS A 46 -7.481 -15.613 5.511 1.00 5.11 N ATOM 833 CA LYS A 46 -8.322 -14.493 5.079 1.00 20.40 C ATOM 834 C LYS A 46 -7.843 -13.145 5.646 1.00 71.33 C ATOM 835 O LYS A 46 -8.037 -12.125 4.987 1.00 41.04 O ATOM 836 CB LYS A 46 -9.786 -14.747 5.490 1.00 51.11 C ATOM 837 CG LYS A 46 -10.425 -16.040 4.947 1.00 71.21 C ATOM 838 CD LYS A 46 -10.516 -16.141 3.411 1.00 71.33 C ATOM 839 CE LYS A 46 -9.335 -16.876 2.752 1.00 20.20 C ATOM 840 NZ LYS A 46 -9.532 -17.006 1.300 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.900 -16.160 6.263 1.00 5.11 H new ATOM 0 HA LYS A 46 -8.247 -14.431 3.993 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.839 -14.769 6.579 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.388 -13.901 5.159 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.852 -16.891 5.316 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.430 -16.129 5.360 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -11.441 -16.654 3.147 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.580 -15.135 2.996 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -8.410 -16.334 2.949 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -9.225 -17.865 3.197 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.721 -17.505 0.883 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -10.402 -17.544 1.115 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.613 -16.060 0.875 1.00 73.11 H new ATOM 854 N HIS A 47 -7.222 -13.156 6.839 1.00 31.14 N ATOM 855 CA HIS A 47 -6.644 -11.963 7.451 1.00 24.30 C ATOM 856 C HIS A 47 -5.348 -11.554 6.736 1.00 32.21 C ATOM 857 O HIS A 47 -4.512 -12.402 6.425 1.00 44.23 O ATOM 858 CB HIS A 47 -6.411 -12.194 8.955 1.00 54.34 C ATOM 859 CG HIS A 47 -6.055 -10.942 9.721 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.001 -9.992 10.066 1.00 54.25 N ATOM 861 CD2 HIS A 47 -4.858 -10.469 10.215 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.365 -9.035 10.745 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.060 -9.251 10.869 1.00 23.21 N ATOM 0 H HIS A 47 -7.111 -13.999 7.402 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.349 -11.139 7.342 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.311 -12.629 9.389 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.611 -12.924 9.080 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -7.996 -10.018 9.843 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -3.905 -10.966 10.112 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -6.863 -8.169 11.154 1.00 22.13 H new ATOM 871 N PHE A 48 -5.213 -10.243 6.533 1.00 74.42 N ATOM 872 CA PHE A 48 -4.004 -9.576 6.078 1.00 52.41 C ATOM 873 C PHE A 48 -3.637 -8.484 7.078 1.00 65.41 C ATOM 874 O PHE A 48 -4.516 -7.867 7.682 1.00 43.24 O ATOM 875 CB PHE A 48 -4.239 -8.943 4.698 1.00 3.43 C ATOM 876 CG PHE A 48 -4.104 -9.876 3.514 1.00 54.13 C ATOM 877 CD1 PHE A 48 -2.834 -10.102 2.941 1.00 12.33 C ATOM 878 CD2 PHE A 48 -5.206 -10.630 3.062 1.00 73.22 C ATOM 879 CE1 PHE A 48 -2.705 -10.987 1.882 1.00 31.21 C ATOM 880 CE2 PHE A 48 -5.056 -11.505 1.995 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.813 -11.670 1.397 1.00 72.20 C ATOM 0 H PHE A 48 -5.982 -9.592 6.690 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.196 -10.303 6.002 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.239 -8.510 4.683 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.534 -8.121 4.571 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -1.966 -9.587 3.326 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -6.166 -10.527 3.546 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -1.737 -11.147 1.431 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -5.908 -12.059 1.629 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.708 -12.333 0.551 1.00 72.20 H new ATOM 891 N LYS A 49 -2.331 -8.228 7.176 1.00 64.51 N ATOM 892 CA LYS A 49 -1.791 -7.084 7.884 1.00 74.12 C ATOM 893 C LYS A 49 -0.765 -6.434 6.959 1.00 23.12 C ATOM 894 O LYS A 49 0.085 -7.131 6.407 1.00 32.45 O ATOM 895 CB LYS A 49 -1.176 -7.545 9.219 1.00 31.13 C ATOM 896 CG LYS A 49 -0.917 -6.387 10.196 1.00 65.33 C ATOM 897 CD LYS A 49 -0.167 -6.798 11.478 1.00 22.54 C ATOM 898 CE LYS A 49 -0.766 -7.980 12.265 1.00 0.54 C ATOM 899 NZ LYS A 49 -2.181 -7.766 12.605 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.616 -8.822 6.757 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.561 -6.354 8.135 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.844 -8.267 9.690 1.00 31.13 H new ATOM 0 HB3 LYS A 49 -0.237 -8.062 9.020 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -0.342 -5.616 9.684 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -1.872 -5.941 10.474 1.00 65.33 H new ATOM 0 HD2 LYS A 49 0.859 -7.050 11.209 1.00 22.54 H new ATOM 0 HD3 LYS A 49 -0.120 -5.933 12.140 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -0.670 -8.892 11.675 1.00 0.54 H new ATOM 0 HE3 LYS A 49 -0.194 -8.131 13.180 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 -2.390 -8.215 13.520 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 -2.372 -6.746 12.668 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 -2.783 -8.186 11.868 1.00 11.34 H new ATOM 913 N PHE A 50 -0.869 -5.110 6.823 1.00 3.40 N ATOM 914 CA PHE A 50 0.101 -4.254 6.155 1.00 12.22 C ATOM 915 C PHE A 50 0.712 -3.297 7.177 1.00 40.53 C ATOM 916 O PHE A 50 0.046 -2.888 8.126 1.00 2.33 O ATOM 917 CB PHE A 50 -0.582 -3.464 5.019 1.00 4.42 C ATOM 918 CG PHE A 50 -0.660 -4.199 3.693 1.00 74.03 C ATOM 919 CD1 PHE A 50 -1.618 -5.215 3.492 1.00 50.23 C ATOM 920 CD2 PHE A 50 0.311 -3.966 2.696 1.00 61.21 C ATOM 921 CE1 PHE A 50 -1.642 -5.921 2.296 1.00 41.23 C ATOM 922 CE2 PHE A 50 0.263 -4.675 1.503 1.00 2.54 C ATOM 923 CZ PHE A 50 -0.711 -5.646 1.304 1.00 33.23 C ATOM 0 H PHE A 50 -1.665 -4.589 7.192 1.00 3.40 H new ATOM 0 HA PHE A 50 0.890 -4.867 5.719 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -1.592 -3.202 5.334 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.042 -2.529 4.869 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.333 -5.444 4.268 1.00 50.23 H new ATOM 0 HD2 PHE A 50 1.091 -3.237 2.861 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -2.387 -6.686 2.137 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.986 -4.471 0.727 1.00 2.54 H new ATOM 0 HZ PHE A 50 -0.744 -6.190 0.372 1.00 33.23 H new ATOM 933 N THR A 51 1.968 -2.936 6.915 1.00 53.41 N ATOM 934 CA THR A 51 2.699 -1.850 7.542 1.00 52.03 C ATOM 935 C THR A 51 3.320 -1.018 6.411 1.00 73.11 C ATOM 936 O THR A 51 3.795 -1.592 5.430 1.00 24.43 O ATOM 937 CB THR A 51 3.857 -2.364 8.436 1.00 20.44 C ATOM 938 OG1 THR A 51 3.356 -3.261 9.406 1.00 61.14 O ATOM 939 CG2 THR A 51 4.634 -1.264 9.185 1.00 52.31 C ATOM 0 H THR A 51 2.529 -3.426 6.218 1.00 53.41 H new ATOM 0 HA THR A 51 2.013 -1.280 8.169 1.00 52.03 H new ATOM 0 HB THR A 51 4.551 -2.841 7.744 1.00 20.44 H new ATOM 0 HG1 THR A 51 4.093 -3.583 9.966 1.00 61.14 H new ATOM 0 HG21 THR A 51 5.423 -1.719 9.783 1.00 52.31 H new ATOM 0 HG22 THR A 51 5.076 -0.576 8.464 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.953 -0.718 9.838 1.00 52.31 H new ATOM 947 N ILE A 52 3.315 0.311 6.568 1.00 25.40 N ATOM 948 CA ILE A 52 4.038 1.244 5.707 1.00 53.13 C ATOM 949 C ILE A 52 4.672 2.284 6.640 1.00 32.23 C ATOM 950 O ILE A 52 3.956 2.924 7.404 1.00 61.24 O ATOM 951 CB ILE A 52 3.125 1.963 4.666 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.445 0.956 3.706 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.884 3.039 3.851 1.00 40.02 C ATOM 954 CD1 ILE A 52 1.393 1.576 2.775 1.00 52.10 C ATOM 0 H ILE A 52 2.796 0.774 7.314 1.00 25.40 H new ATOM 0 HA ILE A 52 4.774 0.692 5.122 1.00 53.13 H new ATOM 0 HB ILE A 52 2.353 2.468 5.247 1.00 31.34 H new ATOM 0 HG12 ILE A 52 3.213 0.477 3.098 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.972 0.172 4.297 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.201 3.507 3.142 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.280 3.796 4.528 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.706 2.572 3.309 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.968 0.800 2.138 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.601 2.029 3.371 1.00 52.10 H new ATOM 0 HD13 ILE A 52 1.862 2.339 2.154 1.00 52.10 H new ATOM 966 N THR A 53 6.001 2.420 6.566 1.00 2.25 N ATOM 967 CA THR A 53 6.796 3.315 7.397 1.00 34.41 C ATOM 968 C THR A 53 7.584 4.258 6.480 1.00 12.24 C ATOM 969 O THR A 53 8.474 3.802 5.763 1.00 50.34 O ATOM 970 CB THR A 53 7.795 2.517 8.278 1.00 3.33 C ATOM 971 OG1 THR A 53 7.070 1.651 9.129 1.00 41.31 O ATOM 972 CG2 THR A 53 8.725 3.380 9.151 1.00 74.21 C ATOM 0 H THR A 53 6.566 1.890 5.902 1.00 2.25 H new ATOM 0 HA THR A 53 6.129 3.875 8.052 1.00 34.41 H new ATOM 0 HB THR A 53 8.437 1.980 7.579 1.00 3.33 H new ATOM 0 HG1 THR A 53 7.695 1.142 9.687 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.385 2.733 9.729 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.323 4.031 8.513 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.127 3.988 9.830 1.00 74.21 H new ATOM 980 N ALA A 54 7.235 5.552 6.517 1.00 42.32 N ATOM 981 CA ALA A 54 7.863 6.606 5.723 1.00 33.40 C ATOM 982 C ALA A 54 7.479 7.970 6.305 1.00 4.42 C ATOM 983 O ALA A 54 6.317 8.170 6.658 1.00 71.34 O ATOM 984 CB ALA A 54 7.418 6.506 4.250 1.00 22.53 C ATOM 0 H ALA A 54 6.487 5.899 7.118 1.00 42.32 H new ATOM 0 HA ALA A 54 8.946 6.489 5.759 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.894 7.298 3.672 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.710 5.536 3.847 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.335 6.613 4.189 1.00 22.53 H new ATOM 990 N GLY A 55 8.451 8.892 6.356 1.00 31.11 N ATOM 991 CA GLY A 55 8.252 10.265 6.821 1.00 55.23 C ATOM 992 C GLY A 55 8.342 10.381 8.351 1.00 64.53 C ATOM 993 O GLY A 55 7.640 11.211 8.923 1.00 72.42 O ATOM 0 H GLY A 55 9.411 8.698 6.070 1.00 31.11 H new ATOM 0 HA2 GLY A 55 9.001 10.913 6.365 1.00 55.23 H new ATOM 0 HA3 GLY A 55 7.277 10.621 6.488 1.00 55.23 H new ATOM 997 N SER A 56 9.172 9.544 9.006 1.00 20.05 N ATOM 998 CA SER A 56 9.391 9.489 10.462 1.00 64.53 C ATOM 999 C SER A 56 8.134 9.050 11.252 1.00 74.02 C ATOM 1000 O SER A 56 7.961 9.437 12.408 1.00 44.30 O ATOM 1001 CB SER A 56 10.025 10.815 10.966 1.00 55.44 C ATOM 1002 OG SER A 56 10.501 10.715 12.293 1.00 64.35 O ATOM 0 H SER A 56 9.735 8.855 8.507 1.00 20.05 H new ATOM 0 HA SER A 56 10.112 8.697 10.662 1.00 64.53 H new ATOM 0 HB2 SER A 56 10.848 11.094 10.308 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.285 11.613 10.908 1.00 55.44 H new ATOM 0 HG SER A 56 9.844 10.237 12.841 1.00 64.35 H new ATOM 1008 N LYS A 57 7.276 8.245 10.604 1.00 63.33 N ATOM 1009 CA LYS A 57 6.012 7.754 11.144 1.00 55.45 C ATOM 1010 C LYS A 57 5.698 6.387 10.530 1.00 41.21 C ATOM 1011 O LYS A 57 6.084 6.112 9.393 1.00 52.43 O ATOM 1012 CB LYS A 57 4.890 8.806 10.926 1.00 2.22 C ATOM 1013 CG LYS A 57 4.548 9.168 9.461 1.00 75.24 C ATOM 1014 CD LYS A 57 3.490 8.272 8.776 1.00 51.34 C ATOM 1015 CE LYS A 57 2.084 8.895 8.711 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.501 9.091 10.048 1.00 60.33 N1+ ATOM 0 H LYS A 57 7.456 7.911 9.657 1.00 63.33 H new ATOM 0 HA LYS A 57 6.085 7.611 12.222 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.983 8.439 11.406 1.00 2.22 H new ATOM 0 HB3 LYS A 57 5.177 9.721 11.444 1.00 2.22 H new ATOM 0 HG2 LYS A 57 4.196 10.199 9.434 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.465 9.129 8.873 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.822 8.046 7.763 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.431 7.324 9.311 1.00 51.34 H new ATOM 0 HE2 LYS A 57 2.137 9.854 8.195 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.430 8.252 8.122 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.555 9.513 9.956 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 1.426 8.173 10.532 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 2.110 9.726 10.603 1.00 60.33 H new ATOM 1030 N VAL A 58 4.975 5.572 11.311 1.00 55.31 N ATOM 1031 CA VAL A 58 4.515 4.240 10.936 1.00 42.03 C ATOM 1032 C VAL A 58 2.985 4.278 10.774 1.00 54.23 C ATOM 1033 O VAL A 58 2.297 4.913 11.574 1.00 21.21 O ATOM 1034 CB VAL A 58 4.854 3.198 12.047 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.369 1.768 11.731 1.00 44.04 C ATOM 1036 CG2 VAL A 58 6.361 3.164 12.365 1.00 42.14 C ATOM 0 H VAL A 58 4.688 5.837 12.253 1.00 55.31 H new ATOM 0 HA VAL A 58 5.010 3.950 10.009 1.00 42.03 H new ATOM 0 HB VAL A 58 4.304 3.544 12.922 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.642 1.102 12.550 1.00 44.04 H new ATOM 0 HG12 VAL A 58 3.286 1.770 11.610 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.836 1.421 10.810 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.552 2.425 13.143 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.917 2.896 11.466 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.682 4.147 12.711 1.00 42.14 H new ATOM 1046 N ILE A 59 2.493 3.551 9.764 1.00 41.03 N ATOM 1047 CA ILE A 59 1.092 3.184 9.588 1.00 34.25 C ATOM 1048 C ILE A 59 1.040 1.649 9.672 1.00 14.03 C ATOM 1049 O ILE A 59 1.867 0.992 9.045 1.00 51.40 O ATOM 1050 CB ILE A 59 0.545 3.595 8.182 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.731 5.106 7.890 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -0.946 3.222 8.006 1.00 24.12 C ATOM 1053 CD1 ILE A 59 2.017 5.443 7.119 1.00 72.32 C ATOM 0 H ILE A 59 3.089 3.190 9.019 1.00 41.03 H new ATOM 0 HA ILE A 59 0.490 3.689 10.344 1.00 34.25 H new ATOM 0 HB ILE A 59 1.139 3.029 7.464 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.126 5.463 7.319 1.00 33.02 H new ATOM 0 HG13 ILE A 59 0.733 5.650 8.835 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.283 3.526 7.015 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -1.067 2.144 8.115 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.541 3.732 8.764 1.00 24.12 H new ATOM 0 HD11 ILE A 59 2.072 6.519 6.955 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.883 5.120 7.697 1.00 72.32 H new ATOM 0 HD13 ILE A 59 2.010 4.930 6.158 1.00 72.32 H new ATOM 1065 N GLN A 60 0.054 1.117 10.410 1.00 35.51 N ATOM 1066 CA GLN A 60 -0.346 -0.291 10.364 1.00 42.05 C ATOM 1067 C GLN A 60 -1.838 -0.367 10.026 1.00 42.53 C ATOM 1068 O GLN A 60 -2.607 0.479 10.482 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.049 -1.007 11.697 1.00 21.23 C ATOM 1070 CG GLN A 60 1.449 -1.290 11.919 1.00 52.05 C ATOM 1071 CD GLN A 60 1.736 -2.167 13.144 1.00 73.31 C ATOM 1072 OE1 GLN A 60 0.830 -2.622 13.839 1.00 23.35 O ATOM 1073 NE2 GLN A 60 3.020 -2.414 13.412 1.00 13.55 N ATOM 0 H GLN A 60 -0.497 1.668 11.068 1.00 35.51 H new ATOM 0 HA GLN A 60 0.233 -0.801 9.594 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.422 -0.397 12.520 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -0.597 -1.949 11.725 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.853 -1.777 11.032 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.976 -0.342 12.030 1.00 52.05 H new ATOM 0 HE21 GLN A 60 3.750 -2.022 12.817 1.00 13.55 H new ATOM 0 HE22 GLN A 60 3.271 -2.995 14.212 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.211 -1.388 9.237 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.581 -1.644 8.795 1.00 41.34 C ATOM 1084 C ASN A 61 -3.830 -3.145 8.719 1.00 52.20 C ATOM 1085 O ASN A 61 -3.290 -3.821 7.844 1.00 25.44 O ATOM 1086 CB ASN A 61 -3.825 -0.980 7.418 1.00 25.31 C ATOM 1087 CG ASN A 61 -4.202 0.496 7.517 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -5.047 0.866 8.328 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -3.608 1.337 6.671 1.00 11.11 N ATOM 0 H ASN A 61 -1.545 -2.074 8.882 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.277 -1.213 9.515 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -2.925 -1.078 6.811 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.619 -1.517 6.899 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -3.851 2.328 6.682 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -2.911 0.990 6.012 1.00 11.11 H new ATOM 1096 N GLU A 62 -4.723 -3.599 9.607 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.414 -4.876 9.517 1.00 21.24 C ATOM 1098 C GLU A 62 -6.590 -4.781 8.531 1.00 44.03 C ATOM 1099 O GLU A 62 -7.215 -3.726 8.416 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.977 -5.269 10.904 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.939 -5.759 11.933 1.00 34.42 C ATOM 1102 CD GLU A 62 -4.048 -4.671 12.540 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -4.551 -3.541 12.726 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -2.880 -5.003 12.833 1.00 11.32 O1- ATOM 0 H GLU A 62 -4.988 -3.063 10.434 1.00 40.14 H new ATOM 0 HA GLU A 62 -4.701 -5.624 9.171 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.497 -4.407 11.322 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.721 -6.053 10.765 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -5.466 -6.266 12.742 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -4.301 -6.501 11.454 1.00 34.42 H new ATOM 1111 N PHE A 63 -6.919 -5.930 7.932 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.196 -6.200 7.275 1.00 33.44 C ATOM 1113 C PHE A 63 -8.359 -7.711 7.079 1.00 12.32 C ATOM 1114 O PHE A 63 -7.380 -8.452 7.150 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.377 -5.392 5.967 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.372 -5.654 4.860 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -7.520 -6.765 4.004 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -6.213 -4.857 4.758 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -6.559 -7.027 3.040 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -5.272 -5.128 3.777 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.445 -6.207 2.920 1.00 52.40 C ATOM 0 H PHE A 63 -6.279 -6.723 7.891 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.002 -5.854 7.923 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.374 -5.595 5.577 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.342 -4.331 6.215 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -8.381 -7.411 4.099 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -6.059 -4.037 5.443 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -6.677 -7.873 2.379 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -4.401 -4.497 3.679 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.709 -6.409 2.156 1.00 52.40 H new ATOM 1131 N THR A 64 -9.599 -8.134 6.815 1.00 34.14 N ATOM 1132 CA THR A 64 -9.943 -9.514 6.491 1.00 3.13 C ATOM 1133 C THR A 64 -10.736 -9.493 5.180 1.00 74.33 C ATOM 1134 O THR A 64 -11.749 -8.798 5.101 1.00 14.33 O ATOM 1135 CB THR A 64 -10.800 -10.159 7.611 1.00 62.34 C ATOM 1136 OG1 THR A 64 -10.028 -10.244 8.794 1.00 32.13 O ATOM 1137 CG2 THR A 64 -11.332 -11.571 7.303 1.00 71.51 C ATOM 0 H THR A 64 -10.406 -7.510 6.822 1.00 34.14 H new ATOM 0 HA THR A 64 -9.033 -10.107 6.394 1.00 3.13 H new ATOM 0 HB THR A 64 -11.670 -9.510 7.711 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.565 -10.650 9.507 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.918 -11.932 8.149 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.961 -11.537 6.414 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.494 -12.246 7.128 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.241 -10.221 4.165 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.827 -10.222 2.826 1.00 54.10 C ATOM 1147 C VAL A 65 -12.160 -10.994 2.808 1.00 54.34 C ATOM 1148 O VAL A 65 -12.225 -12.132 3.279 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.855 -10.754 1.735 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.581 -9.893 1.696 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.521 -12.258 1.796 1.00 44.43 C ATOM 0 H VAL A 65 -9.423 -10.823 4.256 1.00 1.44 H new ATOM 0 HA VAL A 65 -11.026 -9.180 2.575 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.404 -10.658 0.798 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -7.907 -10.274 0.929 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.846 -8.861 1.466 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -8.085 -9.932 2.666 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.836 -12.512 0.987 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -9.053 -12.488 2.753 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.437 -12.839 1.691 1.00 44.43 H new ATOM 1161 N GLY A 66 -13.202 -10.309 2.318 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.593 -10.756 2.358 1.00 2.14 C ATOM 1163 C GLY A 66 -15.386 -10.070 3.486 1.00 14.12 C ATOM 1164 O GLY A 66 -16.611 -10.185 3.483 1.00 1.40 O ATOM 0 H GLY A 66 -13.092 -9.400 1.869 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -15.069 -10.546 1.400 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.623 -11.836 2.499 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.731 -9.353 4.419 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.366 -8.604 5.510 1.00 2.33 C ATOM 1170 C GLU A 67 -15.041 -7.106 5.415 1.00 4.41 C ATOM 1171 O GLU A 67 -14.027 -6.728 4.826 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.881 -9.135 6.876 1.00 31.54 C ATOM 1173 CG GLU A 67 -15.316 -10.580 7.182 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.976 -11.039 8.606 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -14.249 -10.305 9.313 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -15.455 -12.135 8.965 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.714 -9.279 4.431 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.444 -8.740 5.420 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.793 -9.080 6.909 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.257 -8.480 7.662 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -16.392 -10.666 7.029 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.838 -11.252 6.469 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.903 -6.293 6.050 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.681 -4.867 6.269 1.00 12.25 C ATOM 1185 C GLU A 68 -14.792 -4.642 7.500 1.00 3.41 C ATOM 1186 O GLU A 68 -15.124 -5.117 8.587 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.029 -4.125 6.354 1.00 12.34 C ATOM 1188 CG GLU A 68 -16.887 -2.610 6.600 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.195 -1.867 6.353 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -19.086 -1.975 7.225 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.273 -1.198 5.300 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.790 -6.623 6.430 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.143 -4.448 5.419 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.580 -4.284 5.427 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.624 -4.561 7.157 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.560 -2.438 7.626 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.112 -2.208 5.947 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.694 -3.904 7.288 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.710 -3.530 8.301 1.00 24.14 C ATOM 1200 C CYS A 69 -12.378 -2.041 8.131 1.00 1.24 C ATOM 1201 O CYS A 69 -12.516 -1.496 7.034 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.427 -4.379 8.191 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.744 -6.091 8.711 1.00 73.13 S ATOM 0 H CYS A 69 -13.462 -3.538 6.365 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.133 -3.715 9.289 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.064 -4.367 7.163 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.643 -3.944 8.811 1.00 31.21 H new ATOM 0 HG CYS A 69 -13.025 -6.278 8.830 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.949 -1.403 9.230 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.643 0.024 9.262 1.00 52.30 C ATOM 1211 C GLU A 70 -10.161 0.277 8.948 1.00 74.34 C ATOM 1212 O GLU A 70 -9.296 -0.116 9.731 1.00 25.25 O ATOM 1213 CB GLU A 70 -12.135 0.599 10.602 1.00 50.13 C ATOM 1214 CG GLU A 70 -11.984 2.124 10.721 1.00 14.35 C ATOM 1215 CD GLU A 70 -12.787 2.673 11.897 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -14.009 2.856 11.708 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -12.172 2.890 12.963 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.806 -1.871 10.125 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.175 0.560 8.476 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -13.185 0.337 10.735 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.583 0.125 11.414 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -10.932 2.378 10.847 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -12.318 2.597 9.798 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.914 0.921 7.795 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.590 1.294 7.304 1.00 60.35 C ATOM 1226 C LEU A 71 -8.252 2.723 7.745 1.00 15.41 C ATOM 1227 O LEU A 71 -9.063 3.630 7.558 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.561 1.208 5.759 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.650 -0.221 5.173 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -8.694 -0.181 3.632 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -7.525 -1.143 5.682 1.00 4.32 C ATOM 0 H LEU A 71 -10.662 1.203 7.162 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.852 0.607 7.718 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.389 1.797 5.363 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -7.641 1.672 5.403 1.00 65.33 H new ATOM 0 HG LEU A 71 -9.585 -0.654 5.530 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.756 -1.197 3.243 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.567 0.386 3.308 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -7.790 0.297 3.254 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.637 -2.132 5.239 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -6.558 -0.726 5.401 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.583 -1.223 6.767 1.00 4.32 H new ATOM 1243 N GLU A 72 -7.030 2.887 8.274 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.429 4.170 8.618 1.00 5.22 C ATOM 1245 C GLU A 72 -5.606 4.691 7.428 1.00 54.31 C ATOM 1246 O GLU A 72 -4.931 3.912 6.754 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.588 3.998 9.897 1.00 30.20 C ATOM 1248 CG GLU A 72 -5.102 5.329 10.511 1.00 61.31 C ATOM 1249 CD GLU A 72 -4.480 5.143 11.897 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -5.138 4.496 12.742 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -3.361 5.665 12.092 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.417 2.098 8.478 1.00 40.11 H new ATOM 0 HA GLU A 72 -7.195 4.918 8.824 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -6.179 3.461 10.639 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.722 3.377 9.670 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -4.369 5.786 9.846 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -5.942 6.020 10.583 1.00 61.31 H new ATOM 1258 N THR A 73 -5.694 6.002 7.187 1.00 14.12 N ATOM 1259 CA THR A 73 -5.115 6.683 6.029 1.00 13.34 C ATOM 1260 C THR A 73 -3.791 7.396 6.393 1.00 65.20 C ATOM 1261 O THR A 73 -3.405 7.436 7.563 1.00 23.23 O ATOM 1262 CB THR A 73 -6.126 7.739 5.505 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.241 8.830 6.393 1.00 65.12 O ATOM 1264 CG2 THR A 73 -7.529 7.173 5.221 1.00 60.04 C ATOM 0 H THR A 73 -6.187 6.638 7.814 1.00 14.12 H new ATOM 0 HA THR A 73 -4.903 5.935 5.265 1.00 13.34 H new ATOM 0 HB THR A 73 -5.710 8.073 4.554 1.00 62.31 H new ATOM 0 HG1 THR A 73 -6.142 9.669 5.896 1.00 65.12 H new ATOM 0 HG21 THR A 73 -8.177 7.971 4.859 1.00 60.04 H new ATOM 0 HG22 THR A 73 -7.460 6.391 4.465 1.00 60.04 H new ATOM 0 HG23 THR A 73 -7.945 6.756 6.138 1.00 60.04 H new ATOM 1272 N MET A 74 -3.129 7.966 5.370 1.00 72.21 N ATOM 1273 CA MET A 74 -1.920 8.787 5.511 1.00 42.23 C ATOM 1274 C MET A 74 -2.153 10.135 6.225 1.00 45.20 C ATOM 1275 O MET A 74 -1.216 10.635 6.847 1.00 11.12 O ATOM 1276 CB MET A 74 -1.269 9.007 4.130 1.00 54.15 C ATOM 1277 CG MET A 74 -0.724 7.715 3.505 1.00 21.54 C ATOM 1278 SD MET A 74 0.239 7.986 1.996 1.00 51.13 S ATOM 1279 CE MET A 74 0.905 6.318 1.757 1.00 13.43 C ATOM 0 H MET A 74 -3.430 7.864 4.401 1.00 72.21 H new ATOM 0 HA MET A 74 -1.244 8.228 6.158 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.003 9.447 3.456 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.456 9.726 4.229 1.00 54.15 H new ATOM 0 HG2 MET A 74 -0.099 7.203 4.237 1.00 21.54 H new ATOM 0 HG3 MET A 74 -1.558 7.051 3.279 1.00 21.54 H new ATOM 0 HE1 MET A 74 1.529 6.300 0.863 1.00 13.43 H new ATOM 0 HE2 MET A 74 1.504 6.038 2.623 1.00 13.43 H new ATOM 0 HE3 MET A 74 0.083 5.611 1.640 1.00 13.43 H new ATOM 1289 N THR A 75 -3.382 10.678 6.157 1.00 42.35 N ATOM 1290 CA THR A 75 -3.813 11.862 6.913 1.00 12.24 C ATOM 1291 C THR A 75 -4.163 11.541 8.387 1.00 50.13 C ATOM 1292 O THR A 75 -4.214 12.474 9.188 1.00 10.31 O ATOM 1293 CB THR A 75 -5.064 12.525 6.272 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.195 11.680 6.307 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.859 12.994 4.827 1.00 32.15 C ATOM 0 H THR A 75 -4.117 10.296 5.562 1.00 42.35 H new ATOM 0 HA THR A 75 -2.960 12.540 6.884 1.00 12.24 H new ATOM 0 HB THR A 75 -5.233 13.406 6.891 1.00 54.03 H new ATOM 0 HG1 THR A 75 -7.008 12.216 6.195 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.780 13.444 4.456 1.00 32.15 H new ATOM 0 HG22 THR A 75 -4.056 13.730 4.794 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.595 12.141 4.202 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.372 10.256 8.725 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.685 9.801 10.079 1.00 42.54 C ATOM 1305 C GLY A 76 -6.197 9.658 10.323 1.00 52.34 C ATOM 1306 O GLY A 76 -6.589 9.356 11.450 1.00 50.44 O ATOM 0 H GLY A 76 -4.326 9.495 8.047 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.200 8.841 10.256 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.270 10.506 10.800 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.040 9.839 9.291 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.469 9.500 9.302 1.00 22.12 C ATOM 1312 C GLU A 77 -8.670 7.975 9.308 1.00 21.20 C ATOM 1313 O GLU A 77 -7.805 7.254 8.816 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.141 10.106 8.054 1.00 15.43 C ATOM 1315 CG GLU A 77 -9.168 11.645 8.055 1.00 15.44 C ATOM 1316 CD GLU A 77 -9.616 12.190 6.703 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -8.759 12.791 6.020 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -10.789 11.962 6.337 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.735 10.236 8.403 1.00 21.31 H new ATOM 0 HA GLU A 77 -8.921 9.909 10.206 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.614 9.761 7.164 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -10.163 9.733 7.985 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -9.843 11.999 8.834 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -8.176 12.029 8.294 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.815 7.520 9.838 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.199 6.107 9.880 1.00 3.40 C ATOM 1327 C LYS A 78 -11.587 5.952 9.247 1.00 71.00 C ATOM 1328 O LYS A 78 -12.500 6.695 9.608 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.167 5.597 11.335 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.753 5.588 11.947 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.687 4.987 13.363 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.747 3.451 13.425 1.00 24.13 C ATOM 1333 NZ LYS A 78 -7.550 2.831 12.834 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.511 8.138 10.256 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.493 5.503 9.310 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.816 6.224 11.947 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.576 4.587 11.368 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -8.089 5.024 11.293 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.376 6.610 11.979 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -7.764 5.318 13.839 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.511 5.391 13.951 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -8.846 3.133 14.463 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -9.635 3.101 12.899 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -7.301 1.976 13.371 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -7.744 2.574 11.845 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -6.758 3.504 12.867 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.705 5.010 8.297 1.00 1.35 N ATOM 1348 CA VAL A 79 -12.902 4.789 7.487 1.00 52.00 C ATOM 1349 C VAL A 79 -13.105 3.292 7.191 1.00 21.12 C ATOM 1350 O VAL A 79 -12.156 2.600 6.821 1.00 51.44 O ATOM 1351 CB VAL A 79 -12.841 5.563 6.132 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.043 7.075 6.315 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -11.576 5.293 5.292 1.00 11.12 C ATOM 0 H VAL A 79 -10.947 4.367 8.069 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.741 5.165 8.072 1.00 52.00 H new ATOM 0 HB VAL A 79 -13.678 5.159 5.562 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -12.992 7.569 5.345 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.018 7.260 6.766 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.262 7.470 6.965 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -11.621 5.873 4.370 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -10.693 5.584 5.861 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -11.519 4.232 5.051 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.355 2.830 7.358 1.00 53.10 N ATOM 1364 CA LYS A 80 -14.800 1.474 7.036 1.00 4.31 C ATOM 1365 C LYS A 80 -14.880 1.211 5.526 1.00 51.25 C ATOM 1366 O LYS A 80 -15.298 2.093 4.775 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.159 1.201 7.711 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.030 0.534 9.088 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.402 0.141 9.660 1.00 15.03 C ATOM 1370 CE LYS A 80 -17.313 -0.942 10.739 1.00 54.32 C ATOM 1371 NZ LYS A 80 -18.656 -1.410 11.122 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.104 3.412 7.733 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.050 0.785 7.424 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -16.698 2.142 7.820 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.758 0.564 7.061 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.402 -0.353 9.005 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.530 1.215 9.777 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -17.881 1.025 10.080 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -18.039 -0.213 8.850 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -16.722 -1.781 10.371 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -16.797 -0.548 11.614 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -18.572 -2.144 11.854 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -19.209 -0.611 11.494 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -19.136 -1.806 10.289 1.00 45.32 H new ATOM 1385 N THR A 81 -14.526 -0.024 5.142 1.00 62.20 N ATOM 1386 CA THR A 81 -14.630 -0.538 3.779 1.00 53.21 C ATOM 1387 C THR A 81 -14.337 -2.050 3.738 1.00 74.41 C ATOM 1388 O THR A 81 -13.510 -2.542 4.506 1.00 1.11 O ATOM 1389 CB THR A 81 -13.673 0.202 2.796 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.804 -0.314 1.485 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.179 0.128 3.167 1.00 11.41 C ATOM 0 H THR A 81 -14.148 -0.710 5.796 1.00 62.20 H new ATOM 0 HA THR A 81 -15.655 -0.357 3.456 1.00 53.21 H new ATOM 0 HB THR A 81 -13.982 1.245 2.861 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.473 0.345 0.839 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.593 0.671 2.426 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.025 0.575 4.149 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.861 -0.914 3.189 1.00 11.41 H new ATOM 1399 N VAL A 82 -15.005 -2.750 2.808 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.713 -4.138 2.457 1.00 2.52 C ATOM 1401 C VAL A 82 -13.463 -4.209 1.565 1.00 71.31 C ATOM 1402 O VAL A 82 -13.314 -3.386 0.660 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.910 -4.795 1.708 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.626 -6.211 1.162 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -17.162 -4.848 2.597 1.00 41.33 C ATOM 0 H VAL A 82 -15.777 -2.354 2.272 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.537 -4.683 3.385 1.00 2.52 H new ATOM 0 HB VAL A 82 -16.078 -4.149 0.847 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.514 -6.591 0.656 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.796 -6.169 0.456 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.367 -6.874 1.987 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.980 -5.312 2.046 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.949 -5.434 3.491 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.447 -3.836 2.885 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.621 -5.222 1.816 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.494 -5.560 0.952 1.00 1.45 C ATOM 1417 C VAL A 83 -11.755 -6.935 0.317 1.00 42.54 C ATOM 1418 O VAL A 83 -12.336 -7.811 0.957 1.00 75.24 O ATOM 1419 CB VAL A 83 -10.146 -5.604 1.725 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.944 -5.801 0.777 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.927 -4.347 2.590 1.00 54.42 C ATOM 0 H VAL A 83 -12.708 -5.830 2.630 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.410 -4.783 0.192 1.00 1.45 H new ATOM 0 HB VAL A 83 -10.211 -6.467 2.388 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -8.022 -5.826 1.358 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -9.057 -6.740 0.236 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.902 -4.976 0.066 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.972 -4.425 3.110 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.922 -3.463 1.952 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.732 -4.263 3.320 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.345 -7.073 -0.950 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.486 -8.271 -1.776 1.00 63.42 C ATOM 1433 C GLN A 84 -10.091 -8.748 -2.208 1.00 34.52 C ATOM 1434 O GLN A 84 -9.153 -7.949 -2.229 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.349 -7.913 -3.011 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.766 -7.375 -2.697 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.718 -8.434 -2.136 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -15.534 -8.987 -2.869 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -14.640 -8.714 -0.835 1.00 15.21 N ATOM 0 H GLN A 84 -10.883 -6.312 -1.448 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.971 -9.073 -1.219 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.817 -7.166 -3.600 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.446 -8.801 -3.635 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.684 -6.558 -1.981 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.197 -6.959 -3.608 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -13.952 -8.238 -0.251 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -15.268 -9.404 -0.423 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.991 -10.039 -2.560 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.772 -10.674 -3.059 1.00 3.11 C ATOM 1450 C LEU A 85 -9.118 -11.520 -4.289 1.00 44.15 C ATOM 1451 O LEU A 85 -10.067 -12.306 -4.240 1.00 14.14 O ATOM 1452 CB LEU A 85 -8.119 -11.503 -1.924 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.815 -12.265 -2.274 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.635 -11.322 -2.598 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.449 -13.299 -1.188 1.00 63.34 C ATOM 0 H LEU A 85 -10.780 -10.683 -2.502 1.00 73.01 H new ATOM 0 HA LEU A 85 -8.042 -9.927 -3.369 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.907 -10.831 -1.092 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.851 -12.228 -1.569 1.00 74.15 H new ATOM 0 HG LEU A 85 -7.019 -12.816 -3.192 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.751 -11.914 -2.835 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.893 -10.697 -3.453 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.427 -10.689 -1.735 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.530 -13.812 -1.469 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -6.303 -12.790 -0.235 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.255 -14.026 -1.091 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.313 -11.358 -5.351 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.403 -12.103 -6.609 1.00 41.11 C ATOM 1469 C GLU A 86 -7.450 -13.320 -6.582 1.00 1.21 C ATOM 1470 O GLU A 86 -6.888 -13.644 -5.536 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.092 -11.152 -7.793 1.00 33.43 C ATOM 1472 CG GLU A 86 -8.764 -9.757 -7.747 1.00 24.04 C ATOM 1473 CD GLU A 86 -10.288 -9.791 -7.597 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -10.794 -9.004 -6.767 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -10.920 -10.597 -8.316 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.553 -10.677 -5.353 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.414 -12.488 -6.738 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.012 -11.010 -7.844 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.392 -11.646 -8.717 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -8.342 -9.192 -6.916 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -8.513 -9.217 -8.660 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.288 -13.992 -7.734 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.435 -15.179 -7.853 1.00 74.23 C ATOM 1484 C GLY A 87 -4.957 -14.832 -8.107 1.00 62.21 C ATOM 1485 O GLY A 87 -4.087 -15.616 -7.732 1.00 1.23 O ATOM 0 H GLY A 87 -7.745 -13.726 -8.606 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.513 -15.769 -6.940 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -6.802 -15.803 -8.668 1.00 74.23 H new ATOM 1489 N ASP A 88 -4.669 -13.675 -8.733 1.00 51.20 N ATOM 1490 CA ASP A 88 -3.341 -13.279 -9.228 1.00 31.33 C ATOM 1491 C ASP A 88 -2.545 -12.476 -8.170 1.00 53.45 C ATOM 1492 O ASP A 88 -1.711 -11.644 -8.525 1.00 63.51 O ATOM 1493 CB ASP A 88 -3.496 -12.516 -10.570 1.00 70.11 C ATOM 1494 CG ASP A 88 -2.334 -12.672 -11.561 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -2.624 -12.548 -12.771 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -1.177 -12.845 -11.118 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.381 -12.967 -8.913 1.00 51.20 H new ATOM 0 HA ASP A 88 -2.750 -14.176 -9.415 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -4.412 -12.854 -11.056 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -3.624 -11.456 -10.352 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.805 -12.746 -6.878 1.00 44.15 N ATOM 1502 CA ASN A 89 -2.196 -12.086 -5.717 1.00 32.45 C ATOM 1503 C ASN A 89 -2.527 -10.574 -5.692 1.00 53.43 C ATOM 1504 O ASN A 89 -1.628 -9.766 -5.468 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.659 -12.321 -5.594 1.00 21.54 C ATOM 1506 CG ASN A 89 -0.117 -13.655 -6.114 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.439 -14.717 -5.591 1.00 53.32 O ATOM 1508 ND2 ASN A 89 0.716 -13.591 -7.156 1.00 2.41 N ATOM 0 H ASN A 89 -3.477 -13.464 -6.606 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.644 -12.559 -4.843 1.00 32.45 H new ATOM 0 HB2 ASN A 89 -0.150 -11.518 -6.126 1.00 21.54 H new ATOM 0 HB3 ASN A 89 -0.385 -12.231 -4.543 1.00 21.54 H new ATOM 0 HD21 ASN A 89 1.111 -14.447 -7.547 1.00 2.41 H new ATOM 0 HD22 ASN A 89 0.958 -12.687 -7.561 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.789 -10.214 -5.982 1.00 32.00 N ATOM 1516 CA LYS A 90 -4.236 -8.825 -6.102 1.00 75.42 C ATOM 1517 C LYS A 90 -5.291 -8.531 -5.032 1.00 54.10 C ATOM 1518 O LYS A 90 -6.344 -9.167 -5.055 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.836 -8.569 -7.505 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.845 -8.737 -8.670 1.00 64.21 C ATOM 1521 CD LYS A 90 -4.510 -8.668 -10.058 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.772 -7.245 -10.570 1.00 74.24 C ATOM 1523 NZ LYS A 90 -3.539 -6.640 -11.103 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.534 -10.893 -6.141 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.378 -8.167 -5.962 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.673 -9.251 -7.657 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.240 -7.557 -7.533 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -3.082 -7.961 -8.602 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -3.335 -9.695 -8.567 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -3.876 -9.188 -10.776 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -5.457 -9.207 -10.020 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.535 -7.269 -11.348 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -5.163 -6.629 -9.760 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -3.424 -5.683 -10.711 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -2.722 -7.224 -10.835 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -3.599 -6.585 -12.140 1.00 4.04 H new ATOM 1537 N LEU A 91 -5.030 -7.536 -4.166 1.00 63.34 N ATOM 1538 CA LEU A 91 -6.058 -6.912 -3.326 1.00 44.30 C ATOM 1539 C LEU A 91 -6.762 -5.807 -4.124 1.00 43.45 C ATOM 1540 O LEU A 91 -6.127 -5.159 -4.957 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.467 -6.270 -2.045 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.997 -7.207 -0.912 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -6.090 -8.146 -0.377 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -3.709 -7.963 -1.239 1.00 64.04 C ATOM 0 H LEU A 91 -4.098 -7.144 -4.031 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.751 -7.700 -3.030 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.618 -5.654 -2.342 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -6.219 -5.598 -1.631 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.761 -6.527 -0.094 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -5.677 -8.770 0.416 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -6.916 -7.555 0.019 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -6.453 -8.780 -1.186 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -3.439 -8.602 -0.398 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -3.863 -8.577 -2.126 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -2.906 -7.250 -1.426 1.00 64.04 H new ATOM 1556 N VAL A 92 -8.047 -5.588 -3.808 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.851 -4.488 -4.332 1.00 34.04 C ATOM 1558 C VAL A 92 -9.758 -3.974 -3.196 1.00 1.21 C ATOM 1559 O VAL A 92 -10.432 -4.773 -2.546 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.748 -4.927 -5.531 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.615 -3.779 -6.090 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.937 -5.554 -6.682 1.00 51.23 C ATOM 0 H VAL A 92 -8.563 -6.189 -3.165 1.00 1.53 H new ATOM 0 HA VAL A 92 -8.175 -3.713 -4.694 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.410 -5.686 -5.113 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -11.215 -4.148 -6.921 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -11.273 -3.405 -5.306 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.970 -2.972 -6.438 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.612 -5.841 -7.489 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -8.214 -4.829 -7.055 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.411 -6.437 -6.318 1.00 51.23 H new ATOM 1572 N THR A 93 -9.769 -2.647 -2.995 1.00 62.12 N ATOM 1573 CA THR A 93 -10.606 -1.941 -2.022 1.00 15.25 C ATOM 1574 C THR A 93 -10.704 -0.444 -2.401 1.00 24.45 C ATOM 1575 O THR A 93 -10.036 -0.014 -3.341 1.00 31.45 O ATOM 1576 CB THR A 93 -10.104 -2.153 -0.559 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.983 -1.591 0.397 1.00 74.54 O ATOM 1578 CG2 THR A 93 -8.710 -1.599 -0.236 1.00 53.44 C ATOM 0 H THR A 93 -9.171 -2.015 -3.528 1.00 62.12 H new ATOM 0 HA THR A 93 -11.610 -2.364 -2.056 1.00 15.25 H new ATOM 0 HB THR A 93 -10.062 -3.240 -0.497 1.00 54.24 H new ATOM 0 HG1 THR A 93 -11.767 -2.170 0.500 1.00 74.54 H new ATOM 0 HG21 THR A 93 -8.469 -1.805 0.807 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.971 -2.076 -0.880 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.698 -0.522 -0.405 1.00 53.44 H new ATOM 1586 N THR A 94 -11.573 0.311 -1.712 1.00 1.14 N ATOM 1587 CA THR A 94 -11.843 1.731 -1.952 1.00 54.14 C ATOM 1588 C THR A 94 -12.038 2.449 -0.602 1.00 52.11 C ATOM 1589 O THR A 94 -12.700 1.909 0.278 1.00 1.32 O ATOM 1590 CB THR A 94 -13.151 1.930 -2.775 1.00 44.02 C ATOM 1591 OG1 THR A 94 -14.241 1.230 -2.196 1.00 73.45 O ATOM 1592 CG2 THR A 94 -13.053 1.491 -4.243 1.00 1.00 C ATOM 0 H THR A 94 -12.126 -0.068 -0.944 1.00 1.14 H new ATOM 0 HA THR A 94 -10.997 2.138 -2.506 1.00 54.14 H new ATOM 0 HB THR A 94 -13.312 3.008 -2.751 1.00 44.02 H new ATOM 0 HG1 THR A 94 -14.115 1.173 -1.226 1.00 73.45 H new ATOM 0 HG21 THR A 94 -14.008 1.665 -4.739 1.00 1.00 H new ATOM 0 HG22 THR A 94 -12.274 2.066 -4.743 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.808 0.430 -4.290 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.497 3.670 -0.475 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.621 4.500 0.725 1.00 32.54 C ATOM 1602 C PHE A 95 -11.591 5.977 0.306 1.00 11.00 C ATOM 1603 O PHE A 95 -10.623 6.405 -0.312 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.519 4.107 1.747 1.00 13.41 C ATOM 1605 CG PHE A 95 -9.082 4.517 1.443 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.561 5.727 1.956 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.304 3.772 0.533 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -7.282 6.138 1.608 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -7.027 4.203 0.198 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.518 5.379 0.733 1.00 64.14 C ATOM 0 H PHE A 95 -10.953 4.112 -1.216 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.571 4.334 1.232 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.791 4.534 2.712 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.540 3.023 1.861 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -9.160 6.333 2.620 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.701 2.867 0.097 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.880 7.052 2.020 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.426 3.619 -0.483 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.523 5.704 0.467 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.645 6.740 0.642 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.789 8.182 0.370 1.00 2.14 C ATOM 1622 C LYS A 96 -12.654 8.569 -1.127 1.00 73.30 C ATOM 1623 O LYS A 96 -11.970 9.545 -1.436 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.788 9.006 1.219 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.836 8.802 2.743 1.00 52.21 C ATOM 1626 CD LYS A 96 -11.327 10.044 3.501 1.00 65.24 C ATOM 1627 CE LYS A 96 -9.903 10.499 3.118 1.00 44.02 C ATOM 1628 NZ LYS A 96 -9.685 11.914 3.458 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.453 6.354 1.130 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.812 8.425 0.656 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.780 8.772 0.877 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.957 10.063 1.013 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.859 8.583 3.049 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -11.230 7.937 3.014 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -12.017 10.869 3.323 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -11.351 9.834 4.570 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -9.170 9.881 3.636 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.747 10.351 2.049 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -9.341 12.424 2.619 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -10.580 12.336 3.777 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -8.979 11.984 4.219 1.00 40.12 H new ATOM 1642 N ASN A 97 -13.260 7.779 -2.034 1.00 34.43 N ATOM 1643 CA ASN A 97 -13.132 7.880 -3.503 1.00 42.31 C ATOM 1644 C ASN A 97 -11.764 7.391 -4.047 1.00 20.05 C ATOM 1645 O ASN A 97 -11.585 7.364 -5.266 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.466 9.318 -4.008 1.00 63.24 C ATOM 1647 CG ASN A 97 -13.881 9.430 -5.482 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -14.509 8.532 -6.038 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.537 10.551 -6.118 1.00 21.54 N ATOM 0 H ASN A 97 -13.879 7.019 -1.752 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.874 7.193 -3.911 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -14.270 9.721 -3.392 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -12.593 9.951 -3.847 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -13.796 10.682 -7.096 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -13.015 11.277 -5.626 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.829 6.997 -3.165 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.512 6.486 -3.534 1.00 11.54 C ATOM 1658 C ILE A 98 -9.621 4.956 -3.660 1.00 44.12 C ATOM 1659 O ILE A 98 -9.545 4.248 -2.655 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.390 6.834 -2.500 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -8.358 8.337 -2.127 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.998 6.363 -2.978 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.741 8.637 -0.757 1.00 25.24 C ATOM 0 H ILE A 98 -10.978 7.028 -2.156 1.00 51.10 H new ATOM 0 HA ILE A 98 -9.224 6.961 -4.471 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.644 6.283 -1.594 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.797 8.876 -2.890 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -9.376 8.725 -2.146 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -6.249 6.625 -2.231 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -7.008 5.282 -3.119 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.754 6.850 -3.922 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.759 9.712 -0.577 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -8.314 8.130 0.019 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.710 8.283 -0.737 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.785 4.475 -4.903 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.592 3.072 -5.267 1.00 5.21 C ATOM 1677 C LYS A 99 -8.123 2.689 -5.057 1.00 52.23 C ATOM 1678 O LYS A 99 -7.237 3.435 -5.464 1.00 5.11 O ATOM 1679 CB LYS A 99 -10.058 2.837 -6.721 1.00 24.03 C ATOM 1680 CG LYS A 99 -9.846 1.399 -7.247 1.00 41.04 C ATOM 1681 CD LYS A 99 -10.133 1.267 -8.749 1.00 15.11 C ATOM 1682 CE LYS A 99 -9.856 -0.152 -9.270 1.00 4.42 C ATOM 1683 NZ LYS A 99 -10.012 -0.228 -10.732 1.00 61.23 N1+ ATOM 0 H LYS A 99 -10.059 5.062 -5.690 1.00 23.23 H new ATOM 0 HA LYS A 99 -10.197 2.430 -4.627 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -11.118 3.082 -6.792 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.527 3.529 -7.374 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -8.819 1.093 -7.050 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -10.494 0.716 -6.697 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -11.174 1.527 -8.943 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -9.519 1.980 -9.299 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -8.845 -0.451 -8.995 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -10.538 -0.856 -8.793 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -9.818 -1.198 -11.052 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -10.984 0.034 -10.991 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -9.344 0.426 -11.187 1.00 61.23 H new ATOM 1697 N SER A 100 -7.908 1.544 -4.411 1.00 12.14 N ATOM 1698 CA SER A 100 -6.604 1.084 -3.973 1.00 4.03 C ATOM 1699 C SER A 100 -6.450 -0.397 -4.312 1.00 14.30 C ATOM 1700 O SER A 100 -7.126 -1.247 -3.732 1.00 34.33 O ATOM 1701 CB SER A 100 -6.423 1.423 -2.485 1.00 31.31 C ATOM 1702 OG SER A 100 -7.478 0.945 -1.684 1.00 30.12 O ATOM 0 H SER A 100 -8.661 0.898 -4.174 1.00 12.14 H new ATOM 0 HA SER A 100 -5.798 1.596 -4.499 1.00 4.03 H new ATOM 0 HB2 SER A 100 -5.483 0.998 -2.132 1.00 31.31 H new ATOM 0 HB3 SER A 100 -6.347 2.504 -2.370 1.00 31.31 H new ATOM 0 HG SER A 100 -7.313 1.186 -0.748 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.545 -0.645 -5.265 1.00 15.43 N ATOM 1709 CA VAL A 101 -5.136 -1.963 -5.714 1.00 41.42 C ATOM 1710 C VAL A 101 -3.705 -2.194 -5.209 1.00 73.31 C ATOM 1711 O VAL A 101 -2.854 -1.324 -5.396 1.00 50.41 O ATOM 1712 CB VAL A 101 -5.132 -2.048 -7.268 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.618 -3.394 -7.824 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.528 -1.751 -7.845 1.00 33.25 C ATOM 0 H VAL A 101 -5.062 0.105 -5.760 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.830 -2.711 -5.331 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.426 -1.283 -7.591 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.647 -3.372 -8.913 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.593 -3.557 -7.491 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.251 -4.203 -7.460 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.494 -1.818 -8.932 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.243 -2.477 -7.459 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.837 -0.747 -7.553 1.00 33.25 H new ATOM 1724 N THR A 102 -3.470 -3.368 -4.610 1.00 24.33 N ATOM 1725 CA THR A 102 -2.131 -3.876 -4.302 1.00 33.12 C ATOM 1726 C THR A 102 -1.907 -5.150 -5.127 1.00 23.12 C ATOM 1727 O THR A 102 -2.879 -5.852 -5.402 1.00 43.43 O ATOM 1728 CB THR A 102 -1.965 -4.270 -2.807 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.483 -3.259 -1.967 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.500 -4.506 -2.395 1.00 31.04 C ATOM 0 H THR A 102 -4.217 -4.000 -4.322 1.00 24.33 H new ATOM 0 HA THR A 102 -1.419 -3.083 -4.532 1.00 33.12 H new ATOM 0 HB THR A 102 -2.513 -5.205 -2.693 1.00 41.33 H new ATOM 0 HG1 THR A 102 -2.049 -2.406 -2.176 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.458 -4.777 -1.340 1.00 31.04 H new ATOM 0 HG22 THR A 102 -0.079 -5.313 -2.994 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.075 -3.595 -2.559 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.650 -5.442 -5.485 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.273 -6.688 -6.143 1.00 44.25 C ATOM 1740 C GLU A 103 1.089 -7.172 -5.634 1.00 51.33 C ATOM 1741 O GLU A 103 2.038 -6.394 -5.581 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.339 -6.530 -7.677 1.00 1.24 C ATOM 1743 CG GLU A 103 0.047 -7.801 -8.462 1.00 23.53 C ATOM 1744 CD GLU A 103 -0.116 -7.601 -9.964 1.00 32.14 C ATOM 1745 OE1 GLU A 103 -1.139 -8.082 -10.497 1.00 13.35 O ATOM 1746 OE2 GLU A 103 0.768 -6.947 -10.557 1.00 63.03 O1- ATOM 0 H GLU A 103 0.136 -4.812 -5.323 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.989 -7.469 -5.886 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.351 -6.237 -7.957 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.323 -5.717 -7.976 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.080 -8.068 -8.239 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.575 -8.635 -8.135 1.00 23.53 H new ATOM 1753 N LEU A 104 1.148 -8.474 -5.320 1.00 12.24 N ATOM 1754 CA LEU A 104 2.357 -9.237 -5.024 1.00 3.33 C ATOM 1755 C LEU A 104 2.786 -9.974 -6.301 1.00 4.31 C ATOM 1756 O LEU A 104 1.932 -10.498 -7.017 1.00 24.51 O ATOM 1757 CB LEU A 104 2.015 -10.170 -3.831 1.00 50.23 C ATOM 1758 CG LEU A 104 2.939 -11.344 -3.431 1.00 42.43 C ATOM 1759 CD1 LEU A 104 2.871 -12.593 -4.325 1.00 52.40 C ATOM 1760 CD2 LEU A 104 4.376 -10.917 -3.110 1.00 40.33 C ATOM 0 H LEU A 104 0.307 -9.048 -5.264 1.00 12.24 H new ATOM 0 HA LEU A 104 3.206 -8.620 -4.730 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.912 -9.534 -2.952 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.032 -10.596 -4.034 1.00 50.23 H new ATOM 0 HG LEU A 104 2.499 -11.679 -2.492 1.00 42.43 H new ATOM 0 HD11 LEU A 104 3.561 -13.348 -3.948 1.00 52.40 H new ATOM 0 HD12 LEU A 104 1.857 -12.992 -4.317 1.00 52.40 H new ATOM 0 HD13 LEU A 104 3.148 -12.326 -5.345 1.00 52.40 H new ATOM 0 HD21 LEU A 104 4.964 -11.794 -2.838 1.00 40.33 H new ATOM 0 HD22 LEU A 104 4.818 -10.441 -3.985 1.00 40.33 H new ATOM 0 HD23 LEU A 104 4.369 -10.213 -2.278 1.00 40.33 H new ATOM 1772 N ASN A 105 4.103 -10.037 -6.540 1.00 14.25 N ATOM 1773 CA ASN A 105 4.719 -10.830 -7.603 1.00 22.34 C ATOM 1774 C ASN A 105 6.007 -11.443 -7.039 1.00 31.52 C ATOM 1775 O ASN A 105 7.100 -10.978 -7.362 1.00 42.33 O ATOM 1776 CB ASN A 105 4.982 -9.985 -8.878 1.00 62.45 C ATOM 1777 CG ASN A 105 3.728 -9.408 -9.538 1.00 34.21 C ATOM 1778 OD1 ASN A 105 3.523 -8.198 -9.512 1.00 21.24 O ATOM 1779 ND2 ASN A 105 2.889 -10.261 -10.130 1.00 62.21 N ATOM 0 H ASN A 105 4.784 -9.522 -5.982 1.00 14.25 H new ATOM 0 HA ASN A 105 4.041 -11.623 -7.918 1.00 22.34 H new ATOM 0 HB2 ASN A 105 5.650 -9.163 -8.620 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.505 -10.605 -9.606 1.00 62.45 H new ATOM 0 HD21 ASN A 105 2.043 -9.914 -10.582 1.00 62.21 H new ATOM 0 HD22 ASN A 105 3.094 -11.260 -10.131 1.00 62.21 H new ATOM 1786 N GLY A 106 5.844 -12.468 -6.184 1.00 23.14 N ATOM 1787 CA GLY A 106 6.928 -13.210 -5.544 1.00 31.34 C ATOM 1788 C GLY A 106 7.617 -12.348 -4.480 1.00 2.33 C ATOM 1789 O GLY A 106 7.204 -12.343 -3.322 1.00 44.23 O ATOM 0 H GLY A 106 4.921 -12.809 -5.915 1.00 23.14 H new ATOM 0 HA2 GLY A 106 6.534 -14.117 -5.086 1.00 31.34 H new ATOM 0 HA3 GLY A 106 7.655 -13.522 -6.294 1.00 31.34 H new ATOM 1793 N ASP A 107 8.683 -11.652 -4.897 1.00 52.25 N ATOM 1794 CA ASP A 107 9.568 -10.824 -4.068 1.00 15.31 C ATOM 1795 C ASP A 107 9.388 -9.318 -4.359 1.00 53.11 C ATOM 1796 O ASP A 107 10.134 -8.512 -3.802 1.00 64.54 O ATOM 1797 CB ASP A 107 11.063 -11.221 -4.216 1.00 73.33 C ATOM 1798 CG ASP A 107 11.321 -12.709 -4.486 1.00 71.23 C ATOM 1799 OD1 ASP A 107 11.589 -13.433 -3.504 1.00 43.31 O ATOM 1800 OD2 ASP A 107 11.249 -13.092 -5.674 1.00 42.41 O1- ATOM 0 H ASP A 107 8.966 -11.652 -5.877 1.00 52.25 H new ATOM 0 HA ASP A 107 9.273 -11.013 -3.036 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.498 -10.640 -5.029 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.590 -10.937 -3.305 1.00 73.33 H new ATOM 1805 N ILE A 108 8.428 -8.956 -5.227 1.00 11.24 N ATOM 1806 CA ILE A 108 8.153 -7.584 -5.656 1.00 74.42 C ATOM 1807 C ILE A 108 6.722 -7.219 -5.217 1.00 20.20 C ATOM 1808 O ILE A 108 5.834 -8.070 -5.282 1.00 10.32 O ATOM 1809 CB ILE A 108 8.215 -7.460 -7.212 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.480 -8.103 -7.836 1.00 52.31 C ATOM 1811 CG2 ILE A 108 8.043 -6.008 -7.712 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.819 -7.527 -7.354 1.00 15.22 C ATOM 0 H ILE A 108 7.804 -9.637 -5.661 1.00 11.24 H new ATOM 0 HA ILE A 108 8.898 -6.924 -5.212 1.00 74.42 H new ATOM 0 HB ILE A 108 7.357 -8.035 -7.560 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.466 -9.172 -7.623 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.426 -7.993 -8.919 1.00 52.31 H new ATOM 0 HG21 ILE A 108 8.096 -5.989 -8.801 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.075 -5.624 -7.389 1.00 72.23 H new ATOM 0 HG23 ILE A 108 8.837 -5.385 -7.300 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.638 -8.046 -7.851 1.00 15.22 H new ATOM 0 HD12 ILE A 108 10.865 -6.464 -7.592 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.906 -7.661 -6.276 1.00 15.22 H new ATOM 1824 N ILE A 109 6.525 -5.958 -4.796 1.00 41.02 N ATOM 1825 CA ILE A 109 5.226 -5.410 -4.406 1.00 74.12 C ATOM 1826 C ILE A 109 4.945 -4.156 -5.242 1.00 72.34 C ATOM 1827 O ILE A 109 5.774 -3.247 -5.272 1.00 74.32 O ATOM 1828 CB ILE A 109 5.194 -5.006 -2.900 1.00 0.14 C ATOM 1829 CG1 ILE A 109 5.464 -6.203 -1.969 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.916 -4.253 -2.455 1.00 35.50 C ATOM 1831 CD1 ILE A 109 4.394 -7.297 -1.993 1.00 62.41 C ATOM 0 H ILE A 109 7.284 -5.281 -4.718 1.00 41.02 H new ATOM 0 HA ILE A 109 4.475 -6.181 -4.575 1.00 74.12 H new ATOM 0 HB ILE A 109 6.012 -4.292 -2.804 1.00 0.14 H new ATOM 0 HG12 ILE A 109 6.422 -6.647 -2.241 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.562 -5.835 -0.948 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.985 -4.014 -1.394 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.818 -3.331 -3.029 1.00 35.50 H new ATOM 0 HG23 ILE A 109 3.043 -4.883 -2.629 1.00 35.50 H new ATOM 0 HD11 ILE A 109 4.674 -8.095 -1.306 1.00 62.41 H new ATOM 0 HD12 ILE A 109 3.436 -6.876 -1.689 1.00 62.41 H new ATOM 0 HD13 ILE A 109 4.309 -7.700 -3.002 1.00 62.41 H new ATOM 1843 N THR A 110 3.761 -4.122 -5.862 1.00 52.21 N ATOM 1844 CA THR A 110 3.216 -2.969 -6.569 1.00 55.31 C ATOM 1845 C THR A 110 1.964 -2.473 -5.825 1.00 60.14 C ATOM 1846 O THR A 110 1.231 -3.279 -5.252 1.00 33.00 O ATOM 1847 CB THR A 110 2.804 -3.359 -8.017 1.00 23.34 C ATOM 1848 OG1 THR A 110 3.965 -3.725 -8.734 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.088 -2.266 -8.836 1.00 74.24 C ATOM 0 H THR A 110 3.137 -4.928 -5.883 1.00 52.21 H new ATOM 0 HA THR A 110 3.979 -2.191 -6.609 1.00 55.31 H new ATOM 0 HB THR A 110 2.085 -4.169 -7.893 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.719 -3.975 -9.649 1.00 43.22 H new ATOM 0 HG21 THR A 110 1.850 -2.652 -9.827 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.168 -1.975 -8.329 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.740 -1.397 -8.932 1.00 74.24 H new ATOM 1857 N ASN A 111 1.723 -1.156 -5.893 1.00 41.41 N ATOM 1858 CA ASN A 111 0.451 -0.513 -5.562 1.00 23.41 C ATOM 1859 C ASN A 111 0.082 0.439 -6.700 1.00 62.20 C ATOM 1860 O ASN A 111 0.963 0.997 -7.354 1.00 20.43 O ATOM 1861 CB ASN A 111 0.570 0.244 -4.217 1.00 72.21 C ATOM 1862 CG ASN A 111 0.222 -0.620 -3.007 1.00 71.22 C ATOM 1863 OD1 ASN A 111 -1.073 -0.767 -2.733 1.00 2.22 O flip ATOM 1864 ND2 ASN A 111 1.106 -1.136 -2.329 1.00 23.45 N flip ATOM 0 H ASN A 111 2.435 -0.489 -6.191 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.334 -1.261 -5.449 1.00 23.41 H new ATOM 0 HB2 ASN A 111 1.588 0.618 -4.107 1.00 72.21 H new ATOM 0 HB3 ASN A 111 -0.089 1.112 -4.237 1.00 72.21 H new ATOM 0 HD21 ASN A 111 2.086 -0.996 -2.576 1.00 23.45 H new ATOM 0 HD22 ASN A 111 0.861 -1.704 -1.518 1.00 23.45 H new ATOM 1871 N THR A 112 -1.234 0.617 -6.881 1.00 33.00 N ATOM 1872 CA THR A 112 -1.843 1.626 -7.739 1.00 72.14 C ATOM 1873 C THR A 112 -3.051 2.194 -6.979 1.00 63.23 C ATOM 1874 O THR A 112 -4.008 1.461 -6.726 1.00 44.44 O ATOM 1875 CB THR A 112 -2.318 1.049 -9.101 1.00 60.33 C ATOM 1876 OG1 THR A 112 -1.211 0.504 -9.793 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.971 2.090 -10.032 1.00 12.21 C ATOM 0 H THR A 112 -1.927 0.034 -6.411 1.00 33.00 H new ATOM 0 HA THR A 112 -1.100 2.390 -7.967 1.00 72.14 H new ATOM 0 HB THR A 112 -3.071 0.300 -8.856 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.510 0.138 -10.652 1.00 13.12 H new ATOM 0 HG21 THR A 112 -3.275 1.608 -10.961 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.846 2.518 -9.542 1.00 12.21 H new ATOM 0 HG23 THR A 112 -2.255 2.882 -10.252 1.00 12.21 H new ATOM 1885 N MET A 113 -2.956 3.477 -6.590 1.00 11.55 N ATOM 1886 CA MET A 113 -3.925 4.176 -5.750 1.00 52.41 C ATOM 1887 C MET A 113 -4.561 5.304 -6.581 1.00 43.21 C ATOM 1888 O MET A 113 -4.049 6.424 -6.621 1.00 62.25 O ATOM 1889 CB MET A 113 -3.264 4.684 -4.443 1.00 24.04 C ATOM 1890 CG MET A 113 -2.277 3.708 -3.767 1.00 35.13 C ATOM 1891 SD MET A 113 -2.996 2.201 -3.068 1.00 42.04 S ATOM 1892 CE MET A 113 -3.462 2.842 -1.436 1.00 12.50 C ATOM 0 H MET A 113 -2.173 4.070 -6.865 1.00 11.55 H new ATOM 0 HA MET A 113 -4.715 3.496 -5.432 1.00 52.41 H new ATOM 0 HB2 MET A 113 -2.736 5.612 -4.662 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.052 4.926 -3.730 1.00 24.04 H new ATOM 0 HG2 MET A 113 -1.524 3.420 -4.500 1.00 35.13 H new ATOM 0 HG3 MET A 113 -1.759 4.242 -2.970 1.00 35.13 H new ATOM 0 HE1 MET A 113 -3.845 2.028 -0.821 1.00 12.50 H new ATOM 0 HE2 MET A 113 -2.588 3.280 -0.954 1.00 12.50 H new ATOM 0 HE3 MET A 113 -4.233 3.604 -1.551 1.00 12.50 H new ATOM 1902 N THR A 114 -5.654 4.958 -7.270 1.00 70.23 N ATOM 1903 CA THR A 114 -6.419 5.838 -8.146 1.00 53.04 C ATOM 1904 C THR A 114 -7.402 6.712 -7.343 1.00 72.10 C ATOM 1905 O THR A 114 -8.288 6.165 -6.694 1.00 25.44 O ATOM 1906 CB THR A 114 -7.250 5.009 -9.165 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.469 3.971 -9.726 1.00 22.51 O ATOM 1908 CG2 THR A 114 -7.820 5.851 -10.317 1.00 60.41 C ATOM 0 H THR A 114 -6.042 4.016 -7.227 1.00 70.23 H new ATOM 0 HA THR A 114 -5.699 6.471 -8.664 1.00 53.04 H new ATOM 0 HB THR A 114 -8.084 4.604 -8.593 1.00 25.24 H new ATOM 0 HG1 THR A 114 -7.012 3.461 -10.363 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.388 5.209 -10.990 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.474 6.624 -9.914 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.002 6.318 -10.866 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.249 8.043 -7.416 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.151 9.022 -6.805 1.00 55.34 C ATOM 1918 C LEU A 115 -8.716 9.907 -7.922 1.00 64.34 C ATOM 1919 O LEU A 115 -8.252 11.031 -8.116 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.403 9.792 -5.685 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.174 10.946 -4.985 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -9.598 10.559 -4.528 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -7.339 11.551 -3.835 1.00 53.31 C ATOM 0 H LEU A 115 -6.473 8.476 -7.916 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.001 8.550 -6.311 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -7.103 9.073 -4.922 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.489 10.205 -6.111 1.00 4.13 H new ATOM 0 HG LEU A 115 -8.321 11.717 -5.741 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -10.072 11.416 -4.049 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -10.188 10.255 -5.393 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -9.541 9.733 -3.819 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -7.901 12.356 -3.362 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -7.122 10.778 -3.098 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -6.404 11.946 -4.233 1.00 53.31 H new ATOM 1935 N GLY A 116 -9.698 9.352 -8.656 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.363 9.995 -9.787 1.00 74.52 C ATOM 1937 C GLY A 116 -9.352 10.289 -10.903 1.00 34.22 C ATOM 1938 O GLY A 116 -8.824 9.368 -11.525 1.00 60.22 O ATOM 0 H GLY A 116 -10.056 8.416 -8.467 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.156 9.350 -10.166 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.835 10.922 -9.461 1.00 74.52 H new ATOM 1942 N ASP A 117 -9.105 11.590 -11.133 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.175 12.138 -12.125 1.00 12.31 C ATOM 1944 C ASP A 117 -6.682 11.946 -11.748 1.00 24.33 C ATOM 1945 O ASP A 117 -5.824 12.142 -12.607 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.510 13.636 -12.352 1.00 10.40 C ATOM 1947 CG ASP A 117 -8.008 14.241 -13.670 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -7.835 13.479 -14.647 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -7.888 15.485 -13.700 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.575 12.323 -10.602 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.309 11.578 -13.051 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -9.592 13.757 -12.307 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -8.090 14.212 -11.527 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.386 11.560 -10.493 1.00 63.44 N ATOM 1955 CA ILE A 118 -5.036 11.248 -10.014 1.00 63.52 C ATOM 1956 C ILE A 118 -4.834 9.721 -10.056 1.00 62.02 C ATOM 1957 O ILE A 118 -5.759 8.984 -9.712 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.837 11.701 -8.533 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -5.285 13.158 -8.268 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.398 11.476 -8.018 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -4.565 14.222 -9.108 1.00 63.33 C ATOM 0 H ILE A 118 -7.099 11.455 -9.771 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.325 11.772 -10.652 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.499 11.050 -7.962 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -6.356 13.232 -8.456 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -5.130 13.384 -7.213 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -3.325 11.811 -6.983 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -3.153 10.415 -8.074 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.699 12.043 -8.633 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.948 15.209 -8.850 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -3.495 14.183 -8.905 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.740 14.030 -10.167 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.631 9.273 -10.451 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.265 7.857 -10.470 1.00 40.30 C ATOM 1975 C VAL A 119 -1.866 7.705 -9.845 1.00 12.04 C ATOM 1976 O VAL A 119 -0.864 7.691 -10.561 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.274 7.244 -11.907 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -3.030 5.718 -11.891 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.572 7.541 -12.679 1.00 31.10 C ATOM 0 H VAL A 119 -2.884 9.891 -10.767 1.00 14.52 H new ATOM 0 HA VAL A 119 -4.013 7.310 -9.896 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.449 7.732 -12.427 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -3.045 5.336 -12.912 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -2.060 5.509 -11.440 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.813 5.230 -11.310 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.518 7.089 -13.669 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.421 7.125 -12.137 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -4.698 8.619 -12.778 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.821 7.592 -8.507 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.600 7.253 -7.771 1.00 3.10 C ATOM 1991 C PHE A 120 -0.209 5.793 -8.022 1.00 33.01 C ATOM 1992 O PHE A 120 -1.089 4.948 -8.183 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.794 7.555 -6.277 1.00 54.44 C ATOM 1994 CG PHE A 120 0.388 7.306 -5.351 1.00 55.23 C ATOM 1995 CD1 PHE A 120 0.309 6.350 -4.316 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.588 8.024 -5.519 1.00 34.05 C ATOM 1997 CE1 PHE A 120 1.384 6.154 -3.462 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.662 7.797 -4.671 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.555 6.879 -3.636 1.00 21.32 C ATOM 0 H PHE A 120 -2.634 7.734 -7.908 1.00 54.22 H new ATOM 0 HA PHE A 120 0.225 7.868 -8.130 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.083 8.602 -6.180 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.633 6.958 -5.919 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -0.592 5.769 -4.188 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.672 8.754 -6.311 1.00 34.05 H new ATOM 0 HE1 PHE A 120 1.310 5.435 -2.659 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.586 8.337 -4.817 1.00 11.14 H new ATOM 0 HZ PHE A 120 3.386 6.728 -2.963 1.00 21.32 H new ATOM 2009 N LYS A 121 1.101 5.532 -8.061 1.00 52.41 N ATOM 2010 CA LYS A 121 1.657 4.209 -8.317 1.00 73.41 C ATOM 2011 C LYS A 121 2.947 4.082 -7.496 1.00 64.01 C ATOM 2012 O LYS A 121 3.590 5.092 -7.213 1.00 13.03 O ATOM 2013 CB LYS A 121 1.833 4.035 -9.845 1.00 1.55 C ATOM 2014 CG LYS A 121 1.808 2.594 -10.390 1.00 70.32 C ATOM 2015 CD LYS A 121 3.163 1.873 -10.390 1.00 62.43 C ATOM 2016 CE LYS A 121 3.155 0.611 -11.262 1.00 24.15 C ATOM 2017 NZ LYS A 121 4.488 -0.014 -11.300 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.812 6.248 -7.913 1.00 52.41 H new ATOM 0 HA LYS A 121 1.003 3.396 -8.002 1.00 73.41 H new ATOM 0 HB2 LYS A 121 1.045 4.600 -10.344 1.00 1.55 H new ATOM 0 HB3 LYS A 121 2.781 4.490 -10.131 1.00 1.55 H new ATOM 0 HG2 LYS A 121 1.104 2.010 -9.797 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.425 2.615 -11.410 1.00 70.32 H new ATOM 0 HD2 LYS A 121 3.934 2.555 -10.749 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.428 1.603 -9.368 1.00 62.43 H new ATOM 0 HE2 LYS A 121 2.427 -0.100 -10.872 1.00 24.15 H new ATOM 0 HE3 LYS A 121 2.840 0.866 -12.274 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 4.486 -0.794 -11.988 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 5.196 0.694 -11.582 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 4.725 -0.384 -10.357 1.00 62.52 H new ATOM 2031 N ARG A 122 3.258 2.852 -7.074 1.00 1.23 N ATOM 2032 CA ARG A 122 4.318 2.529 -6.121 1.00 45.20 C ATOM 2033 C ARG A 122 4.922 1.173 -6.484 1.00 21.25 C ATOM 2034 O ARG A 122 4.208 0.287 -6.950 1.00 54.25 O ATOM 2035 CB ARG A 122 3.704 2.511 -4.700 1.00 32.24 C ATOM 2036 CG ARG A 122 3.943 3.811 -3.921 1.00 3.01 C ATOM 2037 CD ARG A 122 5.212 3.814 -3.058 1.00 11.54 C ATOM 2038 NE ARG A 122 5.052 3.005 -1.840 1.00 34.20 N ATOM 2039 CZ ARG A 122 4.518 3.443 -0.686 1.00 63.42 C ATOM 2040 NH1 ARG A 122 4.142 4.722 -0.533 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 4.360 2.588 0.331 1.00 34.12 N ATOM 0 H ARG A 122 2.758 2.025 -7.401 1.00 1.23 H new ATOM 0 HA ARG A 122 5.115 3.272 -6.152 1.00 45.20 H new ATOM 0 HB2 ARG A 122 2.631 2.333 -4.777 1.00 32.24 H new ATOM 0 HB3 ARG A 122 4.126 1.677 -4.140 1.00 32.24 H new ATOM 0 HG2 ARG A 122 3.999 4.638 -4.629 1.00 3.01 H new ATOM 0 HG3 ARG A 122 3.082 3.998 -3.279 1.00 3.01 H new ATOM 0 HD2 ARG A 122 6.048 3.429 -3.642 1.00 11.54 H new ATOM 0 HD3 ARG A 122 5.461 4.839 -2.782 1.00 11.54 H new ATOM 0 HE ARG A 122 5.371 2.037 -1.873 1.00 34.20 H new ATOM 0 HH11 ARG A 122 4.259 5.383 -1.301 1.00 43.43 H new ATOM 0 HH12 ARG A 122 3.739 5.033 0.351 1.00 43.43 H new ATOM 0 HH21 ARG A 122 4.644 1.614 0.227 1.00 34.12 H new ATOM 0 HH22 ARG A 122 3.956 2.910 1.210 1.00 34.12 H new ATOM 2055 N ILE A 123 6.235 1.049 -6.239 1.00 44.02 N ATOM 2056 CA ILE A 123 7.015 -0.174 -6.404 1.00 1.53 C ATOM 2057 C ILE A 123 7.925 -0.313 -5.169 1.00 42.14 C ATOM 2058 O ILE A 123 8.576 0.658 -4.776 1.00 11.14 O ATOM 2059 CB ILE A 123 7.924 -0.156 -7.677 1.00 33.44 C ATOM 2060 CG1 ILE A 123 7.130 0.143 -8.975 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.685 -1.492 -7.854 1.00 11.42 C ATOM 2062 CD1 ILE A 123 6.919 1.639 -9.272 1.00 61.45 C ATOM 0 H ILE A 123 6.799 1.832 -5.908 1.00 44.02 H new ATOM 0 HA ILE A 123 6.318 -1.004 -6.515 1.00 1.53 H new ATOM 0 HB ILE A 123 8.637 0.652 -7.514 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.653 -0.310 -9.817 1.00 44.22 H new ATOM 0 HG13 ILE A 123 6.156 -0.341 -8.908 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.306 -1.441 -8.749 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.317 -1.669 -6.984 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.969 -2.308 -7.955 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.355 1.750 -10.198 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.366 2.098 -8.453 1.00 61.45 H new ATOM 0 HD13 ILE A 123 7.887 2.129 -9.376 1.00 61.45 H new ATOM 2074 N SER A 124 7.962 -1.526 -4.602 1.00 22.23 N ATOM 2075 CA SER A 124 8.829 -1.934 -3.499 1.00 32.50 C ATOM 2076 C SER A 124 9.399 -3.335 -3.802 1.00 25.54 C ATOM 2077 O SER A 124 8.809 -4.080 -4.586 1.00 1.51 O ATOM 2078 CB SER A 124 8.031 -1.913 -2.180 1.00 13.10 C ATOM 2079 OG SER A 124 7.686 -0.595 -1.815 1.00 34.43 O ATOM 0 H SER A 124 7.357 -2.283 -4.919 1.00 22.23 H new ATOM 0 HA SER A 124 9.664 -1.241 -3.391 1.00 32.50 H new ATOM 0 HB2 SER A 124 7.127 -2.512 -2.289 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.622 -2.370 -1.387 1.00 13.10 H new ATOM 0 HG SER A 124 7.179 -0.610 -0.976 1.00 34.43 H new ATOM 2085 N LYS A 125 10.549 -3.657 -3.191 1.00 24.13 N ATOM 2086 CA LYS A 125 11.328 -4.868 -3.467 1.00 34.33 C ATOM 2087 C LYS A 125 11.848 -5.444 -2.144 1.00 1.52 C ATOM 2088 O LYS A 125 12.224 -4.667 -1.265 1.00 34.02 O ATOM 2089 CB LYS A 125 12.477 -4.473 -4.414 1.00 65.50 C ATOM 2090 CG LYS A 125 13.260 -5.630 -5.045 1.00 71.15 C ATOM 2091 CD LYS A 125 14.349 -5.111 -5.999 1.00 22.53 C ATOM 2092 CE LYS A 125 14.906 -6.200 -6.926 1.00 0.14 C ATOM 2093 NZ LYS A 125 16.009 -5.682 -7.752 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.971 -3.067 -2.474 1.00 24.13 H new ATOM 0 HA LYS A 125 10.723 -5.640 -3.943 1.00 34.33 H new ATOM 0 HB2 LYS A 125 12.065 -3.860 -5.216 1.00 65.50 H new ATOM 0 HB3 LYS A 125 13.177 -3.846 -3.861 1.00 65.50 H new ATOM 0 HG2 LYS A 125 13.717 -6.233 -4.261 1.00 71.15 H new ATOM 0 HG3 LYS A 125 12.576 -6.281 -5.590 1.00 71.15 H new ATOM 0 HD2 LYS A 125 13.939 -4.302 -6.604 1.00 22.53 H new ATOM 0 HD3 LYS A 125 15.165 -4.688 -5.413 1.00 22.53 H new ATOM 0 HE2 LYS A 125 15.258 -7.043 -6.331 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.111 -6.575 -7.570 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 16.366 -6.439 -8.369 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 15.665 -4.893 -8.336 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 16.777 -5.347 -7.136 1.00 21.45 H new ATOM 2107 N ARG A 126 11.843 -6.787 -2.021 1.00 63.52 N ATOM 2108 CA ARG A 126 12.104 -7.488 -0.760 1.00 41.42 C ATOM 2109 C ARG A 126 13.527 -7.265 -0.220 1.00 12.11 C ATOM 2110 O ARG A 126 14.488 -7.314 -0.988 1.00 24.21 O ATOM 2111 CB ARG A 126 11.784 -8.996 -0.883 1.00 33.20 C ATOM 2112 CG ARG A 126 11.556 -9.677 0.486 1.00 73.33 C ATOM 2113 CD ARG A 126 11.526 -11.208 0.437 1.00 13.21 C ATOM 2114 NE ARG A 126 10.326 -11.740 -0.223 1.00 42.13 N ATOM 2115 CZ ARG A 126 10.201 -13.003 -0.668 1.00 14.43 C ATOM 2116 NH1 ARG A 126 11.196 -13.890 -0.542 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 9.057 -13.387 -1.248 1.00 4.03 N ATOM 0 H ARG A 126 11.656 -7.414 -2.803 1.00 63.52 H new ATOM 0 HA ARG A 126 11.430 -7.048 -0.025 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.894 -9.124 -1.499 1.00 33.20 H new ATOM 0 HB3 ARG A 126 12.604 -9.495 -1.399 1.00 33.20 H new ATOM 0 HG2 ARG A 126 12.345 -9.363 1.169 1.00 73.33 H new ATOM 0 HG3 ARG A 126 10.614 -9.321 0.902 1.00 73.33 H new ATOM 0 HD2 ARG A 126 12.411 -11.566 -0.088 1.00 13.21 H new ATOM 0 HD3 ARG A 126 11.578 -11.599 1.453 1.00 13.21 H new ATOM 0 HE ARG A 126 9.535 -11.109 -0.352 1.00 42.13 H new ATOM 0 HH11 ARG A 126 12.073 -13.613 -0.100 1.00 70.12 H new ATOM 0 HH12 ARG A 126 11.077 -14.842 -0.887 1.00 70.12 H new ATOM 0 HH21 ARG A 126 8.289 -12.724 -1.350 1.00 4.03 H new ATOM 0 HH22 ARG A 126 8.954 -14.343 -1.588 1.00 4.03 H new ATOM 2131 N ILE A 127 13.614 -7.048 1.102 1.00 50.12 N ATOM 2132 CA ILE A 127 14.853 -6.845 1.867 1.00 3.32 C ATOM 2133 C ILE A 127 14.953 -7.964 2.898 1.00 21.41 C ATOM 2134 O ILE A 127 14.255 -8.980 2.919 1.00 22.53 O ATOM 2135 CB ILE A 127 14.902 -5.432 2.526 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.682 -5.107 3.429 1.00 43.04 C ATOM 2137 CG2 ILE A 127 15.108 -4.338 1.462 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.852 -3.861 4.310 1.00 0.24 C ATOM 0 H ILE A 127 12.784 -7.008 1.693 1.00 50.12 H new ATOM 0 HA ILE A 127 15.714 -6.884 1.199 1.00 3.32 H new ATOM 0 HB ILE A 127 15.762 -5.450 3.195 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.805 -4.972 2.797 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.483 -5.965 4.071 1.00 43.04 H new ATOM 0 HG21 ILE A 127 15.139 -3.362 1.945 1.00 2.02 H new ATOM 0 HG22 ILE A 127 16.047 -4.513 0.937 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.284 -4.364 0.749 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.952 -3.711 4.906 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.707 -3.997 4.972 1.00 0.24 H new ATOM 0 HD13 ILE A 127 14.018 -2.989 3.678 1.00 0.24 H new