USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=34 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 112 THR OG1 : rot -20:sc= 0.323 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -163:sc= 0.343 (180deg=-0.0105) USER MOD Set 2.1: A 102 THR OG1 : rot -55:sc= 0.418 USER MOD Set 2.2: A 111 ASN :FLIP amide:sc= 0.388 F(o=-0.078,f=0.81) USER MOD Set 3.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 MET CE :methyl -175:sc= -0.0319 (180deg=-0.0995) USER MOD Set 4.2: A 74 MET CE :methyl -169:sc= -0.0299 (180deg=-0.228) USER MOD Set 5.1: A 73 THR OG1 : rot 98:sc= 0.127 USER MOD Set 5.2: A 75 THR OG1 : rot 172:sc= 1.22 USER MOD Set 6.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 51 THR OG1 : rot -69:sc= 0.0906 USER MOD Set 7.2: A 60 GLN : amide:sc= 0.091 X(o=0.18,f=-0.19) USER MOD Single : A 2 SER OG : rot 31:sc= 0.0129 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0211 (180deg=-0.222) USER MOD Single : A 7 TYR OH : rot -160:sc= 0.661 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0.431 X(o=0.43,f=-0.0048) USER MOD Single : A 11 SER OG : rot 37:sc= 0.0648 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 14 ASN : amide:sc= 0.00914 X(o=0.0091,f=-0.31) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.07) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0225) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= 1.01 (180deg=0.689) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc=-0.00666 (180deg=-0.156) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.353 K(o=0.35,f=-2.7!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -52:sc= 0.219 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0.0499 (180deg=0.0488) USER MOD Single : A 61 ASN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 69 CYS SG : rot 6:sc= -0.558 USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 0.53 (180deg=0.248) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= 0.934 (180deg=0.222) USER MOD Single : A 81 THR OG1 : rot 154:sc= 1.18 USER MOD Single : A 84 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.1) USER MOD Single : A 89 ASN : amide:sc= 0.0969 X(o=0.097,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 68:sc= 0.235 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -135:sc= 0.369 (180deg=-0.244) USER MOD Single : A 97 ASN : amide:sc=-0.00113 X(o=-0.0011,f=-0.43) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0542) USER MOD Single : A 105 ASN : amide:sc= 0.486 X(o=0.49,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 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 2.531 -15.850 -1.287 1.00 23.44 N ATOM 147 CA SER A 2 2.271 -15.289 0.027 1.00 34.33 C ATOM 148 C SER A 2 2.725 -13.824 0.023 1.00 60.43 C ATOM 149 O SER A 2 3.905 -13.558 -0.209 1.00 70.02 O ATOM 150 CB SER A 2 3.069 -16.094 1.073 1.00 73.21 C ATOM 151 OG SER A 2 2.548 -17.401 1.199 1.00 2.05 O ATOM 0 HA SER A 2 1.210 -15.339 0.272 1.00 34.33 H new ATOM 0 HB2 SER A 2 4.118 -16.142 0.780 1.00 73.21 H new ATOM 0 HB3 SER A 2 3.030 -15.587 2.037 1.00 73.21 H new ATOM 0 HG SER A 2 2.173 -17.688 0.340 1.00 2.05 H new ATOM 157 N PHE A 3 1.783 -12.907 0.289 1.00 23.45 N ATOM 158 CA PHE A 3 2.037 -11.470 0.430 1.00 2.14 C ATOM 159 C PHE A 3 3.000 -11.114 1.578 1.00 52.53 C ATOM 160 O PHE A 3 3.656 -10.077 1.494 1.00 51.21 O ATOM 161 CB PHE A 3 0.705 -10.727 0.629 1.00 34.04 C ATOM 162 CG PHE A 3 -0.134 -10.485 -0.611 1.00 74.30 C ATOM 163 CD1 PHE A 3 -0.009 -9.274 -1.326 1.00 13.25 C ATOM 164 CD2 PHE A 3 -0.984 -11.493 -1.112 1.00 40.41 C ATOM 165 CE1 PHE A 3 -0.801 -9.045 -2.443 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.763 -11.247 -2.233 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.690 -10.019 -2.877 1.00 64.41 C ATOM 0 H PHE A 3 0.801 -13.152 0.415 1.00 23.45 H new ATOM 0 HA PHE A 3 2.527 -11.155 -0.491 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.104 -11.292 1.341 1.00 34.04 H new ATOM 0 HB3 PHE A 3 0.919 -9.762 1.088 1.00 34.04 H new ATOM 0 HD1 PHE A 3 0.702 -8.527 -1.004 1.00 13.25 H new ATOM 0 HD2 PHE A 3 -1.028 -12.455 -0.623 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -0.725 -8.108 -2.975 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -2.428 -12.012 -2.606 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.331 -9.820 -3.723 1.00 64.41 H new ATOM 177 N SER A 4 3.062 -11.976 2.609 1.00 22.24 N ATOM 178 CA SER A 4 3.874 -11.838 3.815 1.00 22.20 C ATOM 179 C SER A 4 5.380 -11.627 3.545 1.00 22.44 C ATOM 180 O SER A 4 5.979 -12.402 2.800 1.00 34.43 O ATOM 181 CB SER A 4 3.593 -13.044 4.737 1.00 73.43 C ATOM 182 OG SER A 4 4.048 -14.266 4.184 1.00 61.14 O ATOM 0 H SER A 4 2.512 -12.835 2.616 1.00 22.24 H new ATOM 0 HA SER A 4 3.579 -10.917 4.318 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.077 -12.882 5.700 1.00 73.43 H new ATOM 0 HB3 SER A 4 2.522 -13.111 4.926 1.00 73.43 H new ATOM 0 HG SER A 4 3.850 -14.999 4.803 1.00 61.14 H new ATOM 188 N GLY A 5 5.952 -10.590 4.178 1.00 55.21 N ATOM 189 CA GLY A 5 7.362 -10.229 4.038 1.00 62.30 C ATOM 190 C GLY A 5 7.553 -8.730 4.313 1.00 12.11 C ATOM 191 O GLY A 5 6.619 -8.025 4.687 1.00 5.45 O ATOM 0 H GLY A 5 5.437 -9.975 4.808 1.00 55.21 H new ATOM 0 HA2 GLY A 5 7.966 -10.814 4.732 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.709 -10.469 3.033 1.00 62.30 H new ATOM 195 N LYS A 6 8.795 -8.261 4.113 1.00 62.03 N ATOM 196 CA LYS A 6 9.205 -6.853 4.142 1.00 45.11 C ATOM 197 C LYS A 6 9.652 -6.438 2.742 1.00 1.54 C ATOM 198 O LYS A 6 10.292 -7.242 2.066 1.00 41.23 O ATOM 199 CB LYS A 6 10.386 -6.685 5.112 1.00 53.32 C ATOM 200 CG LYS A 6 9.958 -6.607 6.577 1.00 72.05 C ATOM 201 CD LYS A 6 11.123 -6.767 7.568 1.00 60.24 C ATOM 202 CE LYS A 6 11.571 -8.222 7.769 1.00 31.03 C ATOM 203 NZ LYS A 6 10.522 -9.026 8.419 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.577 -8.886 3.917 1.00 62.03 H new ATOM 0 HA LYS A 6 8.370 -6.234 4.469 1.00 45.11 H new ATOM 0 HB2 LYS A 6 11.073 -7.522 4.985 1.00 53.32 H new ATOM 0 HB3 LYS A 6 10.935 -5.780 4.852 1.00 53.32 H new ATOM 0 HG2 LYS A 6 9.471 -5.648 6.754 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.217 -7.382 6.772 1.00 72.05 H new ATOM 0 HD2 LYS A 6 11.971 -6.181 7.214 1.00 60.24 H new ATOM 0 HD3 LYS A 6 10.828 -6.351 8.531 1.00 60.24 H new ATOM 0 HE2 LYS A 6 11.823 -8.663 6.804 1.00 31.03 H new ATOM 0 HE3 LYS A 6 12.476 -8.244 8.376 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 10.936 -9.908 8.783 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 10.109 -8.487 9.206 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 9.779 -9.252 7.727 1.00 25.41 H new ATOM 217 N TYR A 7 9.323 -5.199 2.343 1.00 52.01 N ATOM 218 CA TYR A 7 9.577 -4.672 1.003 1.00 55.21 C ATOM 219 C TYR A 7 9.938 -3.181 1.106 1.00 73.55 C ATOM 220 O TYR A 7 9.066 -2.385 1.453 1.00 72.24 O ATOM 221 CB TYR A 7 8.333 -4.882 0.097 1.00 63.20 C ATOM 222 CG TYR A 7 7.751 -6.285 0.068 1.00 53.41 C ATOM 223 CD1 TYR A 7 8.205 -7.227 -0.878 1.00 60.51 C ATOM 224 CD2 TYR A 7 6.758 -6.660 1.001 1.00 23.35 C ATOM 225 CE1 TYR A 7 7.692 -8.539 -0.875 1.00 40.33 C ATOM 226 CE2 TYR A 7 6.243 -7.968 1.003 1.00 34.11 C ATOM 227 CZ TYR A 7 6.711 -8.910 0.065 1.00 61.45 C ATOM 228 OH TYR A 7 6.211 -10.179 0.061 1.00 53.42 O ATOM 0 H TYR A 7 8.865 -4.527 2.958 1.00 52.01 H new ATOM 0 HA TYR A 7 10.412 -5.207 0.551 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.552 -4.194 0.423 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.600 -4.601 -0.922 1.00 63.20 H new ATOM 0 HD1 TYR A 7 8.949 -6.942 -1.607 1.00 60.51 H new ATOM 0 HD2 TYR A 7 6.393 -5.938 1.716 1.00 23.35 H new ATOM 0 HE1 TYR A 7 8.051 -9.261 -1.594 1.00 40.33 H new ATOM 0 HE2 TYR A 7 5.489 -8.251 1.723 1.00 34.11 H new ATOM 0 HH TYR A 7 5.352 -10.194 0.533 1.00 53.42 H new ATOM 238 N GLN A 8 11.194 -2.816 0.782 1.00 1.02 N ATOM 239 CA GLN A 8 11.621 -1.415 0.682 1.00 62.04 C ATOM 240 C GLN A 8 11.120 -0.804 -0.636 1.00 10.20 C ATOM 241 O GLN A 8 11.248 -1.444 -1.679 1.00 44.43 O ATOM 242 CB GLN A 8 13.156 -1.286 0.782 1.00 2.50 C ATOM 243 CG GLN A 8 13.634 0.181 0.934 1.00 63.23 C ATOM 244 CD GLN A 8 15.100 0.373 0.566 1.00 52.24 C ATOM 245 OE1 GLN A 8 15.973 0.348 1.429 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.373 0.583 -0.724 1.00 2.00 N ATOM 0 H GLN A 8 11.937 -3.486 0.583 1.00 1.02 H new ATOM 0 HA GLN A 8 11.185 -0.869 1.519 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.509 -1.867 1.634 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.610 -1.719 -0.109 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.020 0.824 0.303 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.479 0.503 1.964 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.618 0.596 -1.410 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.337 0.730 -1.024 1.00 2.00 H new ATOM 255 N LEU A 9 10.627 0.443 -0.558 1.00 0.12 N ATOM 256 CA LEU A 9 10.239 1.289 -1.688 1.00 63.33 C ATOM 257 C LEU A 9 11.422 1.540 -2.644 1.00 42.21 C ATOM 258 O LEU A 9 12.491 1.962 -2.201 1.00 34.12 O ATOM 259 CB LEU A 9 9.606 2.583 -1.118 1.00 4.51 C ATOM 260 CG LEU A 9 8.955 3.540 -2.153 1.00 14.33 C ATOM 261 CD1 LEU A 9 7.785 4.335 -1.536 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.966 4.495 -2.821 1.00 73.22 C ATOM 0 H LEU A 9 10.483 0.906 0.339 1.00 0.12 H new ATOM 0 HA LEU A 9 9.495 0.788 -2.308 1.00 63.33 H new ATOM 0 HB2 LEU A 9 8.848 2.301 -0.388 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.377 3.134 -0.580 1.00 4.51 H new ATOM 0 HG LEU A 9 8.562 2.897 -2.940 1.00 14.33 H new ATOM 0 HD11 LEU A 9 7.355 4.994 -2.290 1.00 40.25 H new ATOM 0 HD12 LEU A 9 7.022 3.643 -1.181 1.00 40.25 H new ATOM 0 HD13 LEU A 9 8.151 4.931 -0.700 1.00 40.25 H new ATOM 0 HD21 LEU A 9 9.446 5.136 -3.533 1.00 73.22 H new ATOM 0 HD22 LEU A 9 10.443 5.111 -2.059 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.725 3.913 -3.344 1.00 73.22 H new ATOM 274 N GLN A 10 11.188 1.250 -3.931 1.00 32.14 N ATOM 275 CA GLN A 10 12.142 1.375 -5.032 1.00 23.51 C ATOM 276 C GLN A 10 11.861 2.642 -5.847 1.00 33.04 C ATOM 277 O GLN A 10 12.799 3.360 -6.193 1.00 11.12 O ATOM 278 CB GLN A 10 12.020 0.142 -5.964 1.00 41.22 C ATOM 279 CG GLN A 10 12.258 -1.220 -5.290 1.00 70.53 C ATOM 280 CD GLN A 10 13.666 -1.361 -4.715 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.644 -1.333 -5.457 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.774 -1.538 -3.396 1.00 41.31 N ATOM 0 H GLN A 10 10.281 0.905 -4.244 1.00 32.14 H new ATOM 0 HA GLN A 10 13.147 1.434 -4.614 1.00 23.51 H new ATOM 0 HB2 GLN A 10 11.024 0.140 -6.407 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.733 0.253 -6.781 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.529 -1.356 -4.491 1.00 70.53 H new ATOM 0 HG3 GLN A 10 12.087 -2.014 -6.017 1.00 70.53 H new ATOM 0 HE21 GLN A 10 12.937 -1.555 -2.814 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.694 -1.656 -2.971 1.00 41.31 H new ATOM 291 N SER A 11 10.575 2.878 -6.146 1.00 22.42 N ATOM 292 CA SER A 11 10.091 3.982 -6.966 1.00 54.22 C ATOM 293 C SER A 11 8.646 4.327 -6.590 1.00 43.15 C ATOM 294 O SER A 11 7.969 3.531 -5.938 1.00 65.41 O ATOM 295 CB SER A 11 10.225 3.614 -8.464 1.00 55.50 C ATOM 296 OG SER A 11 11.467 4.057 -8.965 1.00 21.52 O ATOM 0 H SER A 11 9.822 2.279 -5.808 1.00 22.42 H new ATOM 0 HA SER A 11 10.696 4.870 -6.782 1.00 54.22 H new ATOM 0 HB2 SER A 11 10.138 2.535 -8.590 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.413 4.068 -9.032 1.00 55.50 H new ATOM 0 HG SER A 11 12.156 3.945 -8.277 1.00 21.52 H new ATOM 302 N GLN A 12 8.206 5.515 -7.029 1.00 52.11 N ATOM 303 CA GLN A 12 6.845 6.014 -6.867 1.00 10.15 C ATOM 304 C GLN A 12 6.537 7.071 -7.937 1.00 32.44 C ATOM 305 O GLN A 12 7.455 7.670 -8.496 1.00 14.54 O ATOM 306 CB GLN A 12 6.591 6.486 -5.416 1.00 74.31 C ATOM 307 CG GLN A 12 7.513 7.622 -4.920 1.00 73.50 C ATOM 308 CD GLN A 12 7.350 7.916 -3.425 1.00 72.40 C ATOM 309 OE1 GLN A 12 6.466 7.381 -2.758 1.00 42.42 O ATOM 310 NE2 GLN A 12 8.210 8.784 -2.890 1.00 0.03 N ATOM 0 H GLN A 12 8.812 6.171 -7.522 1.00 52.11 H new ATOM 0 HA GLN A 12 6.137 5.202 -7.029 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.556 6.819 -5.336 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.703 5.632 -4.749 1.00 74.31 H new ATOM 0 HG2 GLN A 12 8.550 7.354 -5.121 1.00 73.50 H new ATOM 0 HG3 GLN A 12 7.302 8.528 -5.488 1.00 73.50 H new ATOM 0 HE21 GLN A 12 8.932 9.210 -3.471 1.00 0.03 H new ATOM 0 HE22 GLN A 12 8.146 9.021 -1.900 1.00 0.03 H new ATOM 319 N GLU A 13 5.239 7.232 -8.225 1.00 45.34 N ATOM 320 CA GLU A 13 4.726 7.955 -9.387 1.00 24.53 C ATOM 321 C GLU A 13 3.447 8.695 -8.962 1.00 22.40 C ATOM 322 O GLU A 13 2.693 8.155 -8.153 1.00 5.02 O ATOM 323 CB GLU A 13 4.471 6.903 -10.491 1.00 33.31 C ATOM 324 CG GLU A 13 4.725 7.404 -11.918 1.00 43.25 C ATOM 325 CD GLU A 13 4.537 6.272 -12.928 1.00 23.35 C ATOM 326 OE1 GLU A 13 3.507 6.308 -13.634 1.00 25.34 O ATOM 327 OE2 GLU A 13 5.411 5.378 -12.959 1.00 32.21 O1- ATOM 0 H GLU A 13 4.499 6.850 -7.636 1.00 45.34 H new ATOM 0 HA GLU A 13 5.421 8.702 -9.772 1.00 24.53 H new ATOM 0 HB2 GLU A 13 5.107 6.038 -10.305 1.00 33.31 H new ATOM 0 HB3 GLU A 13 3.439 6.561 -10.418 1.00 33.31 H new ATOM 0 HG2 GLU A 13 4.042 8.222 -12.149 1.00 43.25 H new ATOM 0 HG3 GLU A 13 5.737 7.802 -11.995 1.00 43.25 H new ATOM 334 N ASN A 14 3.238 9.924 -9.479 1.00 13.20 N ATOM 335 CA ASN A 14 2.168 10.863 -9.073 1.00 14.42 C ATOM 336 C ASN A 14 2.197 11.192 -7.562 1.00 73.35 C ATOM 337 O ASN A 14 1.144 11.465 -6.985 1.00 12.12 O ATOM 338 CB ASN A 14 0.777 10.352 -9.564 1.00 70.55 C ATOM 339 CG ASN A 14 0.345 10.934 -10.909 1.00 40.33 C ATOM 340 OD1 ASN A 14 0.136 12.141 -11.020 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.166 10.084 -11.920 1.00 12.33 N ATOM 0 H ASN A 14 3.830 10.304 -10.217 1.00 13.20 H new ATOM 0 HA ASN A 14 2.358 11.816 -9.567 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.807 9.265 -9.642 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.025 10.598 -8.814 1.00 70.55 H new ATOM 0 HD21 ASN A 14 -0.155 10.428 -12.825 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.350 9.089 -11.789 1.00 12.33 H new ATOM 348 N PHE A 15 3.393 11.161 -6.942 1.00 42.24 N ATOM 349 CA PHE A 15 3.583 11.370 -5.506 1.00 12.22 C ATOM 350 C PHE A 15 3.067 12.729 -5.017 1.00 44.34 C ATOM 351 O PHE A 15 2.200 12.748 -4.152 1.00 11.34 O ATOM 352 CB PHE A 15 5.038 11.061 -5.081 1.00 35.14 C ATOM 353 CG PHE A 15 5.367 11.362 -3.624 1.00 0.45 C ATOM 354 CD1 PHE A 15 5.044 10.428 -2.615 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.812 12.647 -3.244 1.00 61.51 C ATOM 356 CE1 PHE A 15 5.239 10.751 -1.280 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.963 12.959 -1.902 1.00 10.43 C ATOM 358 CZ PHE A 15 5.696 12.013 -0.923 1.00 3.43 C ATOM 0 H PHE A 15 4.266 10.986 -7.441 1.00 42.24 H new ATOM 0 HA PHE A 15 2.952 10.647 -4.990 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.239 10.007 -5.272 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.714 11.634 -5.715 1.00 35.14 H new ATOM 0 HD1 PHE A 15 4.645 9.461 -2.883 1.00 63.43 H new ATOM 0 HD2 PHE A 15 6.035 13.387 -3.999 1.00 61.51 H new ATOM 0 HE1 PHE A 15 5.034 10.017 -0.514 1.00 31.02 H new ATOM 0 HE2 PHE A 15 6.291 13.947 -1.616 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.844 12.258 0.118 1.00 3.43 H new ATOM 368 N GLU A 16 3.579 13.822 -5.608 1.00 1.55 N ATOM 369 CA GLU A 16 3.233 15.203 -5.257 1.00 11.22 C ATOM 370 C GLU A 16 1.751 15.525 -5.504 1.00 51.52 C ATOM 371 O GLU A 16 1.145 16.198 -4.674 1.00 62.13 O ATOM 372 CB GLU A 16 4.128 16.240 -5.987 1.00 73.44 C ATOM 373 CG GLU A 16 5.594 15.844 -6.270 1.00 44.03 C ATOM 374 CD GLU A 16 5.735 14.978 -7.525 1.00 73.15 C ATOM 375 OE1 GLU A 16 5.905 13.751 -7.357 1.00 1.33 O ATOM 376 OE2 GLU A 16 5.635 15.556 -8.629 1.00 53.41 O1- ATOM 0 H GLU A 16 4.263 13.764 -6.363 1.00 1.55 H new ATOM 0 HA GLU A 16 3.420 15.282 -4.186 1.00 11.22 H new ATOM 0 HB2 GLU A 16 3.655 16.481 -6.939 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.135 17.155 -5.394 1.00 73.44 H new ATOM 0 HG2 GLU A 16 6.195 16.746 -6.385 1.00 44.03 H new ATOM 0 HG3 GLU A 16 5.993 15.303 -5.412 1.00 44.03 H new ATOM 383 N ALA A 17 1.200 15.012 -6.620 1.00 1.05 N ATOM 384 CA ALA A 17 -0.204 15.145 -7.006 1.00 12.24 C ATOM 385 C ALA A 17 -1.168 14.447 -6.033 1.00 4.04 C ATOM 386 O ALA A 17 -2.222 15.006 -5.734 1.00 65.25 O ATOM 387 CB ALA A 17 -0.389 14.598 -8.429 1.00 32.13 C ATOM 0 H ALA A 17 1.745 14.477 -7.296 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.454 16.205 -6.971 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.434 14.694 -8.723 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.236 15.164 -9.120 1.00 32.13 H new ATOM 0 HB3 ALA A 17 -0.100 13.547 -8.455 1.00 32.13 H new ATOM 393 N PHE A 18 -0.780 13.255 -5.552 1.00 52.01 N ATOM 394 CA PHE A 18 -1.561 12.453 -4.613 1.00 64.21 C ATOM 395 C PHE A 18 -1.441 12.947 -3.170 1.00 44.51 C ATOM 396 O PHE A 18 -2.458 12.993 -2.483 1.00 52.34 O ATOM 397 CB PHE A 18 -1.174 10.972 -4.755 1.00 12.02 C ATOM 398 CG PHE A 18 -1.970 10.011 -3.886 1.00 33.13 C ATOM 399 CD1 PHE A 18 -1.472 9.596 -2.632 1.00 2.05 C ATOM 400 CD2 PHE A 18 -3.286 9.656 -4.253 1.00 22.11 C ATOM 401 CE1 PHE A 18 -2.255 8.810 -1.800 1.00 10.12 C ATOM 402 CE2 PHE A 18 -4.052 8.866 -3.408 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.538 8.446 -2.187 1.00 10.15 C ATOM 0 H PHE A 18 0.104 12.818 -5.814 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.615 12.565 -4.867 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.295 10.679 -5.798 1.00 12.02 H new ATOM 0 HB3 PHE A 18 -0.116 10.864 -4.514 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -0.481 9.891 -2.320 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -3.696 9.999 -5.191 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -1.866 8.480 -0.848 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -5.051 8.577 -3.700 1.00 65.33 H new ATOM 0 HZ PHE A 18 -4.141 7.832 -1.534 1.00 10.15 H new ATOM 413 N MET A 19 -0.222 13.329 -2.753 1.00 62.31 N ATOM 414 CA MET A 19 0.059 13.882 -1.428 1.00 51.31 C ATOM 415 C MET A 19 -0.599 15.263 -1.215 1.00 14.44 C ATOM 416 O MET A 19 -0.959 15.592 -0.087 1.00 65.41 O ATOM 417 CB MET A 19 1.581 13.890 -1.166 1.00 62.30 C ATOM 418 CG MET A 19 1.944 13.563 0.294 1.00 22.14 C ATOM 419 SD MET A 19 2.465 11.854 0.645 1.00 35.13 S ATOM 420 CE MET A 19 1.282 10.848 -0.294 1.00 52.42 C ATOM 0 H MET A 19 0.607 13.259 -3.342 1.00 62.31 H new ATOM 0 HA MET A 19 -0.399 13.232 -0.682 1.00 51.31 H new ATOM 0 HB2 MET A 19 2.061 13.166 -1.824 1.00 62.30 H new ATOM 0 HB3 MET A 19 1.983 14.870 -1.423 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.746 14.233 0.603 1.00 22.14 H new ATOM 0 HG3 MET A 19 1.080 13.790 0.918 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.452 9.793 -0.081 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.266 11.117 -0.006 1.00 52.42 H new ATOM 0 HE3 MET A 19 1.416 11.029 -1.360 1.00 52.42 H new ATOM 430 N LYS A 20 -0.812 16.010 -2.311 1.00 1.35 N ATOM 431 CA LYS A 20 -1.630 17.220 -2.366 1.00 40.15 C ATOM 432 C LYS A 20 -3.134 16.895 -2.252 1.00 62.15 C ATOM 433 O LYS A 20 -3.827 17.560 -1.484 1.00 53.14 O ATOM 434 CB LYS A 20 -1.291 17.966 -3.674 1.00 35.11 C ATOM 435 CG LYS A 20 -2.014 19.307 -3.910 1.00 52.34 C ATOM 436 CD LYS A 20 -1.904 19.808 -5.363 1.00 1.33 C ATOM 437 CE LYS A 20 -0.465 19.956 -5.880 1.00 34.32 C ATOM 438 NZ LYS A 20 -0.443 20.495 -7.250 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.401 15.774 -3.214 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.404 17.862 -1.515 1.00 40.15 H new ATOM 0 HB2 LYS A 20 -0.217 18.150 -3.693 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -1.516 17.305 -4.511 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -3.067 19.196 -3.650 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -1.598 20.060 -3.240 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -2.441 19.117 -6.013 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -2.405 20.773 -5.440 1.00 1.33 H new ATOM 0 HE2 LYS A 20 0.096 20.616 -5.218 1.00 34.32 H new ATOM 0 HE3 LYS A 20 0.033 18.986 -5.860 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 0.542 20.584 -7.572 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -0.958 19.852 -7.884 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -0.897 21.431 -7.262 1.00 60.21 H new ATOM 452 N ALA A 21 -3.604 15.888 -3.016 1.00 12.13 N ATOM 453 CA ALA A 21 -5.010 15.482 -3.113 1.00 12.14 C ATOM 454 C ALA A 21 -5.613 14.906 -1.818 1.00 25.12 C ATOM 455 O ALA A 21 -6.802 15.120 -1.582 1.00 2.15 O ATOM 456 CB ALA A 21 -5.183 14.490 -4.273 1.00 42.34 C ATOM 0 H ALA A 21 -2.990 15.320 -3.600 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.570 16.398 -3.300 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.229 14.190 -4.342 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.879 14.964 -5.206 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.564 13.610 -4.095 1.00 42.34 H new ATOM 462 N ILE A 22 -4.801 14.215 -0.999 1.00 75.12 N ATOM 463 CA ILE A 22 -5.204 13.709 0.319 1.00 35.51 C ATOM 464 C ILE A 22 -5.265 14.802 1.410 1.00 73.45 C ATOM 465 O ILE A 22 -5.904 14.570 2.434 1.00 23.31 O ATOM 466 CB ILE A 22 -4.274 12.570 0.826 1.00 70.33 C ATOM 467 CG1 ILE A 22 -2.800 13.007 0.983 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.425 11.309 -0.051 1.00 12.01 C ATOM 469 CD1 ILE A 22 -1.899 11.999 1.697 1.00 1.15 C ATOM 0 H ILE A 22 -3.835 13.991 -1.239 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.210 13.323 0.157 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.602 12.318 1.834 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.388 13.203 -0.007 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.772 13.948 1.532 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -3.765 10.525 0.322 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.458 10.962 -0.014 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.159 11.548 -1.081 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -0.886 12.396 1.758 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.279 11.819 2.702 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -1.889 11.062 1.140 1.00 1.15 H new ATOM 481 N GLY A 23 -4.634 15.965 1.172 1.00 70.33 N ATOM 482 CA GLY A 23 -4.679 17.111 2.077 1.00 22.51 C ATOM 483 C GLY A 23 -3.481 17.167 3.038 1.00 33.33 C ATOM 484 O GLY A 23 -3.574 17.868 4.045 1.00 32.51 O ATOM 0 H GLY A 23 -4.074 16.131 0.335 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.710 18.029 1.490 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.601 17.073 2.657 1.00 22.51 H new ATOM 488 N LEU A 24 -2.361 16.476 2.743 1.00 51.21 N ATOM 489 CA LEU A 24 -1.083 16.666 3.445 1.00 40.21 C ATOM 490 C LEU A 24 -0.476 18.032 3.036 1.00 64.14 C ATOM 491 O LEU A 24 -0.546 18.378 1.854 1.00 12.25 O ATOM 492 CB LEU A 24 -0.107 15.509 3.093 1.00 21.34 C ATOM 493 CG LEU A 24 0.176 14.534 4.258 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.079 13.746 4.678 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.366 13.603 3.949 1.00 73.21 C ATOM 0 H LEU A 24 -2.321 15.769 2.008 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.251 16.657 4.522 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.518 14.945 2.256 1.00 21.34 H new ATOM 0 HB3 LEU A 24 0.837 15.937 2.756 1.00 21.34 H new ATOM 0 HG LEU A 24 0.461 15.143 5.116 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -0.829 13.075 5.500 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -1.854 14.441 5.000 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.443 13.164 3.832 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.533 12.933 4.793 1.00 73.21 H new ATOM 0 HD22 LEU A 24 1.147 13.016 3.057 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.261 14.201 3.778 1.00 73.21 H new ATOM 507 N PRO A 25 0.109 18.784 4.001 1.00 71.41 N ATOM 508 CA PRO A 25 0.758 20.076 3.708 1.00 32.11 C ATOM 509 C PRO A 25 2.016 19.900 2.841 1.00 31.01 C ATOM 510 O PRO A 25 2.714 18.901 3.012 1.00 43.43 O ATOM 511 CB PRO A 25 1.098 20.626 5.104 1.00 31.20 C ATOM 512 CG PRO A 25 1.302 19.392 5.966 1.00 71.02 C ATOM 513 CD PRO A 25 0.278 18.412 5.409 1.00 65.43 C ATOM 0 HA PRO A 25 0.122 20.748 3.132 1.00 32.11 H new ATOM 0 HB2 PRO A 25 1.996 21.244 5.078 1.00 31.20 H new ATOM 0 HB3 PRO A 25 0.292 21.250 5.491 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.318 19.005 5.883 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.127 19.603 7.021 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.626 17.383 5.505 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.666 18.481 5.950 1.00 65.43 H new ATOM 521 N GLU A 26 2.281 20.867 1.939 1.00 4.45 N ATOM 522 CA GLU A 26 3.419 20.861 1.005 1.00 4.32 C ATOM 523 C GLU A 26 4.798 20.683 1.671 1.00 42.12 C ATOM 524 O GLU A 26 5.691 20.108 1.053 1.00 64.11 O ATOM 525 CB GLU A 26 3.363 22.101 0.087 1.00 30.35 C ATOM 526 CG GLU A 26 4.464 22.135 -0.999 1.00 51.21 C ATOM 527 CD GLU A 26 4.367 23.361 -1.906 1.00 74.13 C ATOM 528 OE1 GLU A 26 4.205 23.155 -3.127 1.00 53.40 O ATOM 529 OE2 GLU A 26 4.472 24.480 -1.359 1.00 73.13 O1- ATOM 0 H GLU A 26 1.692 21.694 1.840 1.00 4.45 H new ATOM 0 HA GLU A 26 3.309 19.965 0.394 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.388 22.136 -0.399 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.446 22.998 0.701 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.442 22.122 -0.518 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.395 21.233 -1.607 1.00 51.21 H new ATOM 536 N GLU A 27 4.924 21.117 2.936 1.00 23.43 N ATOM 537 CA GLU A 27 6.087 20.901 3.792 1.00 42.32 C ATOM 538 C GLU A 27 6.411 19.402 3.976 1.00 60.41 C ATOM 539 O GLU A 27 7.557 19.014 3.782 1.00 20.41 O ATOM 540 CB GLU A 27 5.823 21.628 5.133 1.00 44.32 C ATOM 541 CG GLU A 27 7.022 21.763 6.098 1.00 65.14 C ATOM 542 CD GLU A 27 8.096 22.773 5.669 1.00 54.33 C ATOM 543 OE1 GLU A 27 8.926 23.098 6.544 1.00 1.32 O ATOM 544 OE2 GLU A 27 8.081 23.211 4.498 1.00 2.33 O1- ATOM 0 H GLU A 27 4.187 21.647 3.402 1.00 23.43 H new ATOM 0 HA GLU A 27 6.978 21.316 3.322 1.00 42.32 H new ATOM 0 HB2 GLU A 27 5.452 22.628 4.910 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.024 21.100 5.654 1.00 44.32 H new ATOM 0 HG2 GLU A 27 6.647 22.051 7.080 1.00 65.14 H new ATOM 0 HG3 GLU A 27 7.490 20.785 6.210 1.00 65.14 H new ATOM 551 N LEU A 28 5.383 18.583 4.268 1.00 0.12 N ATOM 552 CA LEU A 28 5.471 17.121 4.371 1.00 12.23 C ATOM 553 C LEU A 28 5.615 16.423 3.004 1.00 43.24 C ATOM 554 O LEU A 28 6.164 15.323 2.976 1.00 61.10 O ATOM 555 CB LEU A 28 4.243 16.564 5.135 1.00 51.32 C ATOM 556 CG LEU A 28 4.398 16.503 6.673 1.00 2.11 C ATOM 557 CD1 LEU A 28 4.702 17.860 7.340 1.00 52.22 C ATOM 558 CD2 LEU A 28 3.176 15.819 7.314 1.00 72.24 C ATOM 0 H LEU A 28 4.442 18.935 4.443 1.00 0.12 H new ATOM 0 HA LEU A 28 6.382 16.901 4.928 1.00 12.23 H new ATOM 0 HB2 LEU A 28 3.376 17.181 4.897 1.00 51.32 H new ATOM 0 HB3 LEU A 28 4.030 15.560 4.767 1.00 51.32 H new ATOM 0 HG LEU A 28 5.285 15.898 6.858 1.00 2.11 H new ATOM 0 HD11 LEU A 28 4.794 17.723 8.417 1.00 52.22 H new ATOM 0 HD12 LEU A 28 5.635 18.259 6.943 1.00 52.22 H new ATOM 0 HD13 LEU A 28 3.891 18.558 7.131 1.00 52.22 H new ATOM 0 HD21 LEU A 28 3.304 15.786 8.396 1.00 72.24 H new ATOM 0 HD22 LEU A 28 2.275 16.383 7.072 1.00 72.24 H new ATOM 0 HD23 LEU A 28 3.083 14.804 6.928 1.00 72.24 H new ATOM 570 N ILE A 29 5.150 17.053 1.906 1.00 60.55 N ATOM 571 CA ILE A 29 5.338 16.541 0.544 1.00 71.25 C ATOM 572 C ILE A 29 6.822 16.649 0.134 1.00 13.24 C ATOM 573 O ILE A 29 7.409 15.645 -0.263 1.00 22.23 O ATOM 574 CB ILE A 29 4.467 17.267 -0.535 1.00 2.25 C ATOM 575 CG1 ILE A 29 2.971 17.288 -0.141 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.647 16.656 -1.946 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.041 18.001 -1.138 1.00 11.22 C ATOM 0 H ILE A 29 4.634 17.932 1.945 1.00 60.55 H new ATOM 0 HA ILE A 29 5.012 15.501 0.575 1.00 71.25 H new ATOM 0 HB ILE A 29 4.825 18.296 -0.575 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.629 16.260 -0.021 1.00 22.34 H new ATOM 0 HG13 ILE A 29 2.874 17.772 0.831 1.00 22.34 H new ATOM 0 HG21 ILE A 29 4.022 17.195 -2.658 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.692 16.736 -2.247 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.354 15.606 -1.928 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.015 17.961 -0.771 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.349 19.041 -1.242 1.00 11.22 H new ATOM 0 HD13 ILE A 29 2.099 17.506 -2.108 1.00 11.22 H new ATOM 589 N GLN A 30 7.409 17.849 0.277 1.00 32.25 N ATOM 590 CA GLN A 30 8.795 18.136 -0.098 1.00 61.21 C ATOM 591 C GLN A 30 9.846 17.478 0.811 1.00 51.51 C ATOM 592 O GLN A 30 10.914 17.127 0.315 1.00 1.33 O ATOM 593 CB GLN A 30 9.005 19.665 -0.192 1.00 10.35 C ATOM 594 CG GLN A 30 8.177 20.375 -1.288 1.00 51.13 C ATOM 595 CD GLN A 30 8.345 19.774 -2.687 1.00 55.11 C ATOM 596 OE1 GLN A 30 9.465 19.535 -3.134 1.00 12.32 O ATOM 597 NE2 GLN A 30 7.234 19.533 -3.384 1.00 72.51 N ATOM 0 H GLN A 30 6.922 18.657 0.663 1.00 32.25 H new ATOM 0 HA GLN A 30 8.953 17.682 -1.076 1.00 61.21 H new ATOM 0 HB2 GLN A 30 8.759 20.110 0.772 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.062 19.860 -0.373 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.123 20.338 -1.013 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.462 21.427 -1.319 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.322 19.745 -2.979 1.00 72.51 H new ATOM 0 HE22 GLN A 30 7.296 19.137 -4.322 1.00 72.51 H new ATOM 606 N LYS A 31 9.522 17.291 2.100 1.00 43.00 N ATOM 607 CA LYS A 31 10.376 16.593 3.066 1.00 3.12 C ATOM 608 C LYS A 31 10.172 15.064 3.051 1.00 74.44 C ATOM 609 O LYS A 31 10.971 14.367 3.675 1.00 12.13 O ATOM 610 CB LYS A 31 10.133 17.179 4.477 1.00 33.32 C ATOM 611 CG LYS A 31 10.547 18.661 4.601 1.00 45.12 C ATOM 612 CD LYS A 31 10.065 19.330 5.901 1.00 12.15 C ATOM 613 CE LYS A 31 10.936 19.048 7.132 1.00 65.13 C ATOM 614 NZ LYS A 31 12.222 19.762 7.052 1.00 3.44 N1+ ATOM 0 H LYS A 31 8.647 17.626 2.503 1.00 43.00 H new ATOM 0 HA LYS A 31 11.414 16.755 2.776 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.076 17.082 4.726 1.00 33.32 H new ATOM 0 HB3 LYS A 31 10.688 16.591 5.208 1.00 33.32 H new ATOM 0 HG2 LYS A 31 11.633 18.732 4.547 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.149 19.213 3.749 1.00 45.12 H new ATOM 0 HD2 LYS A 31 10.021 20.408 5.744 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.048 18.997 6.109 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.404 19.352 8.034 1.00 65.13 H new ATOM 0 HE3 LYS A 31 11.117 17.976 7.214 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 12.746 19.634 7.941 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 12.782 19.381 6.263 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 12.047 20.775 6.896 1.00 3.44 H new ATOM 628 N GLY A 32 9.127 14.570 2.361 1.00 50.40 N ATOM 629 CA GLY A 32 8.764 13.153 2.317 1.00 15.11 C ATOM 630 C GLY A 32 9.088 12.495 0.967 1.00 24.21 C ATOM 631 O GLY A 32 9.177 11.268 0.927 1.00 34.34 O ATOM 0 H GLY A 32 8.504 15.161 1.810 1.00 50.40 H new ATOM 0 HA2 GLY A 32 9.292 12.623 3.110 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.698 13.050 2.519 1.00 15.11 H new ATOM 635 N LYS A 33 9.260 13.269 -0.124 1.00 12.04 N ATOM 636 CA LYS A 33 9.494 12.758 -1.485 1.00 4.24 C ATOM 637 C LYS A 33 10.824 11.994 -1.631 1.00 31.01 C ATOM 638 O LYS A 33 10.868 10.986 -2.336 1.00 75.03 O ATOM 639 CB LYS A 33 9.378 13.911 -2.516 1.00 50.23 C ATOM 640 CG LYS A 33 10.563 14.895 -2.547 1.00 63.12 C ATOM 641 CD LYS A 33 10.336 16.110 -3.457 1.00 33.54 C ATOM 642 CE LYS A 33 11.598 16.966 -3.654 1.00 3.24 C ATOM 643 NZ LYS A 33 12.172 17.432 -2.379 1.00 40.25 N1+ ATOM 0 H LYS A 33 9.239 14.288 -0.080 1.00 12.04 H new ATOM 0 HA LYS A 33 8.716 12.023 -1.689 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.263 13.477 -3.509 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.468 14.472 -2.306 1.00 50.23 H new ATOM 0 HG2 LYS A 33 10.760 15.244 -1.533 1.00 63.12 H new ATOM 0 HG3 LYS A 33 11.455 14.365 -2.881 1.00 63.12 H new ATOM 0 HD2 LYS A 33 9.983 15.766 -4.429 1.00 33.54 H new ATOM 0 HD3 LYS A 33 9.547 16.731 -3.033 1.00 33.54 H new ATOM 0 HE2 LYS A 33 12.346 16.385 -4.194 1.00 3.24 H new ATOM 0 HE3 LYS A 33 11.354 17.828 -4.275 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 12.676 18.329 -2.532 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 11.409 17.577 -1.687 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 12.837 16.719 -2.016 1.00 40.25 H new ATOM 657 N ASP A 34 11.869 12.495 -0.949 1.00 62.15 N ATOM 658 CA ASP A 34 13.229 11.952 -0.946 1.00 21.33 C ATOM 659 C ASP A 34 13.395 10.761 0.014 1.00 71.54 C ATOM 660 O ASP A 34 14.356 10.006 -0.143 1.00 72.31 O ATOM 661 CB ASP A 34 14.289 13.037 -0.635 1.00 41.55 C ATOM 662 CG ASP A 34 14.138 14.315 -1.468 1.00 64.03 C ATOM 663 OD1 ASP A 34 14.613 14.299 -2.623 1.00 3.04 O ATOM 664 OD2 ASP A 34 13.551 15.286 -0.940 1.00 22.15 O1- ATOM 0 H ASP A 34 11.780 13.324 -0.362 1.00 62.15 H new ATOM 0 HA ASP A 34 13.397 11.586 -1.959 1.00 21.33 H new ATOM 0 HB2 ASP A 34 14.229 13.296 0.422 1.00 41.55 H new ATOM 0 HB3 ASP A 34 15.281 12.620 -0.806 1.00 41.55 H new ATOM 669 N ILE A 35 12.474 10.610 0.982 1.00 31.14 N ATOM 670 CA ILE A 35 12.512 9.558 1.992 1.00 55.24 C ATOM 671 C ILE A 35 11.832 8.290 1.444 1.00 62.22 C ATOM 672 O ILE A 35 10.609 8.157 1.516 1.00 12.45 O ATOM 673 CB ILE A 35 11.820 9.991 3.323 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.356 11.340 3.861 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.893 8.902 4.416 1.00 34.10 C ATOM 676 CD1 ILE A 35 13.854 11.367 4.196 1.00 60.03 C ATOM 0 H ILE A 35 11.671 11.231 1.079 1.00 31.14 H new ATOM 0 HA ILE A 35 13.559 9.357 2.217 1.00 55.24 H new ATOM 0 HB ILE A 35 10.769 10.130 3.068 1.00 1.50 H new ATOM 0 HG12 ILE A 35 12.153 12.114 3.121 1.00 2.13 H new ATOM 0 HG13 ILE A 35 11.796 11.602 4.758 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.396 9.258 5.318 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.398 7.998 4.062 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.937 8.681 4.640 1.00 34.10 H new ATOM 0 HD11 ILE A 35 14.127 12.356 4.564 1.00 60.03 H new ATOM 0 HD12 ILE A 35 14.069 10.622 4.963 1.00 60.03 H new ATOM 0 HD13 ILE A 35 14.431 11.142 3.299 1.00 60.03 H new ATOM 688 N LYS A 36 12.659 7.373 0.913 1.00 74.41 N ATOM 689 CA LYS A 36 12.261 6.007 0.582 1.00 33.25 C ATOM 690 C LYS A 36 12.019 5.204 1.870 1.00 45.41 C ATOM 691 O LYS A 36 12.891 5.151 2.739 1.00 40.12 O ATOM 692 CB LYS A 36 13.262 5.338 -0.394 1.00 5.55 C ATOM 693 CG LYS A 36 14.736 5.183 0.043 1.00 63.32 C ATOM 694 CD LYS A 36 15.553 6.491 0.020 1.00 41.44 C ATOM 695 CE LYS A 36 17.072 6.276 0.087 1.00 21.10 C ATOM 696 NZ LYS A 36 17.590 5.613 -1.123 1.00 52.24 N1+ ATOM 0 H LYS A 36 13.637 7.570 0.701 1.00 74.41 H new ATOM 0 HA LYS A 36 11.315 6.031 0.041 1.00 33.25 H new ATOM 0 HB2 LYS A 36 12.881 4.344 -0.628 1.00 5.55 H new ATOM 0 HB3 LYS A 36 13.251 5.910 -1.322 1.00 5.55 H new ATOM 0 HG2 LYS A 36 14.761 4.772 1.052 1.00 63.32 H new ATOM 0 HG3 LYS A 36 15.220 4.456 -0.609 1.00 63.32 H new ATOM 0 HD2 LYS A 36 15.313 7.042 -0.890 1.00 41.44 H new ATOM 0 HD3 LYS A 36 15.247 7.114 0.860 1.00 41.44 H new ATOM 0 HE2 LYS A 36 17.569 7.238 0.214 1.00 21.10 H new ATOM 0 HE3 LYS A 36 17.315 5.674 0.962 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 18.626 5.698 -1.149 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 17.325 4.607 -1.108 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 17.185 6.065 -1.967 1.00 52.24 H new ATOM 710 N GLY A 37 10.809 4.641 1.969 1.00 23.34 N ATOM 711 CA GLY A 37 10.325 3.942 3.150 1.00 45.33 C ATOM 712 C GLY A 37 10.419 2.425 2.973 1.00 41.21 C ATOM 713 O GLY A 37 10.980 1.919 2.001 1.00 4.23 O ATOM 0 H GLY A 37 10.129 4.663 1.209 1.00 23.34 H new ATOM 0 HA2 GLY A 37 10.907 4.246 4.020 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.290 4.225 3.344 1.00 45.33 H new ATOM 717 N VAL A 38 9.833 1.715 3.945 1.00 63.12 N ATOM 718 CA VAL A 38 9.664 0.264 3.957 1.00 63.14 C ATOM 719 C VAL A 38 8.194 -0.050 4.269 1.00 60.44 C ATOM 720 O VAL A 38 7.548 0.701 5.000 1.00 44.23 O ATOM 721 CB VAL A 38 10.564 -0.417 5.033 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.382 -1.948 5.138 1.00 54.02 C ATOM 723 CG2 VAL A 38 12.054 -0.111 4.804 1.00 31.32 C ATOM 0 H VAL A 38 9.448 2.159 4.779 1.00 63.12 H new ATOM 0 HA VAL A 38 9.956 -0.124 2.981 1.00 63.14 H new ATOM 0 HB VAL A 38 10.229 0.017 5.975 1.00 70.34 H new ATOM 0 HG11 VAL A 38 11.045 -2.341 5.909 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.348 -2.175 5.398 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.625 -2.410 4.181 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.649 -0.603 5.574 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.354 -0.479 3.823 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.216 0.966 4.853 1.00 31.32 H new ATOM 733 N SER A 39 7.702 -1.168 3.718 1.00 2.42 N ATOM 734 CA SER A 39 6.387 -1.706 4.024 1.00 44.24 C ATOM 735 C SER A 39 6.505 -3.185 4.407 1.00 54.13 C ATOM 736 O SER A 39 6.917 -3.989 3.570 1.00 2.40 O ATOM 737 CB SER A 39 5.450 -1.518 2.815 1.00 2.01 C ATOM 738 OG SER A 39 5.061 -0.165 2.694 1.00 13.42 O ATOM 0 H SER A 39 8.220 -1.725 3.039 1.00 2.42 H new ATOM 0 HA SER A 39 5.962 -1.168 4.871 1.00 44.24 H new ATOM 0 HB2 SER A 39 5.954 -1.840 1.904 1.00 2.01 H new ATOM 0 HB3 SER A 39 4.567 -2.147 2.931 1.00 2.01 H new ATOM 0 HG SER A 39 4.468 -0.063 1.921 1.00 13.42 H new ATOM 744 N GLU A 40 6.080 -3.524 5.638 1.00 10.33 N ATOM 745 CA GLU A 40 5.737 -4.897 6.014 1.00 32.53 C ATOM 746 C GLU A 40 4.345 -5.223 5.461 1.00 52.00 C ATOM 747 O GLU A 40 3.472 -4.354 5.412 1.00 5.23 O ATOM 748 CB GLU A 40 5.697 -5.129 7.547 1.00 74.12 C ATOM 749 CG GLU A 40 7.006 -5.001 8.346 1.00 23.34 C ATOM 750 CD GLU A 40 7.600 -3.594 8.385 1.00 35.54 C ATOM 751 OE1 GLU A 40 6.997 -2.742 9.076 1.00 3.21 O ATOM 752 OE2 GLU A 40 8.642 -3.393 7.728 1.00 73.21 O1- ATOM 0 H GLU A 40 5.967 -2.850 6.395 1.00 10.33 H new ATOM 0 HA GLU A 40 6.516 -5.538 5.601 1.00 32.53 H new ATOM 0 HB2 GLU A 40 4.981 -4.424 7.970 1.00 74.12 H new ATOM 0 HB3 GLU A 40 5.300 -6.129 7.720 1.00 74.12 H new ATOM 0 HG2 GLU A 40 6.824 -5.332 9.369 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.744 -5.680 7.918 1.00 23.34 H new ATOM 759 N ILE A 41 4.157 -6.499 5.119 1.00 61.23 N ATOM 760 CA ILE A 41 2.855 -7.084 4.847 1.00 42.43 C ATOM 761 C ILE A 41 2.814 -8.426 5.598 1.00 63.52 C ATOM 762 O ILE A 41 3.856 -9.060 5.785 1.00 75.40 O ATOM 763 CB ILE A 41 2.609 -7.334 3.329 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.974 -6.108 2.456 1.00 52.20 C ATOM 765 CG2 ILE A 41 1.148 -7.764 3.060 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.877 -6.355 0.944 1.00 12.11 C ATOM 0 H ILE A 41 4.925 -7.163 5.023 1.00 61.23 H new ATOM 0 HA ILE A 41 2.077 -6.395 5.174 1.00 42.43 H new ATOM 0 HB ILE A 41 3.275 -8.148 3.043 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.315 -5.280 2.720 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.990 -5.796 2.696 1.00 52.20 H new ATOM 0 HG21 ILE A 41 1.009 -7.931 1.992 1.00 14.43 H new ATOM 0 HG22 ILE A 41 0.934 -8.685 3.602 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.470 -6.980 3.396 1.00 14.43 H new ATOM 0 HD11 ILE A 41 3.149 -5.445 0.409 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.557 -7.159 0.662 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.856 -6.636 0.686 1.00 12.11 H new ATOM 778 N VAL A 42 1.615 -8.821 6.037 1.00 61.12 N ATOM 779 CA VAL A 42 1.336 -10.094 6.692 1.00 35.52 C ATOM 780 C VAL A 42 0.067 -10.679 6.051 1.00 4.05 C ATOM 781 O VAL A 42 -0.820 -9.923 5.649 1.00 65.04 O ATOM 782 CB VAL A 42 1.071 -9.913 8.217 1.00 31.23 C ATOM 783 CG1 VAL A 42 0.806 -11.230 8.970 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.202 -9.140 8.924 1.00 72.01 C ATOM 0 H VAL A 42 0.784 -8.238 5.940 1.00 61.12 H new ATOM 0 HA VAL A 42 2.200 -10.748 6.571 1.00 35.52 H new ATOM 0 HB VAL A 42 0.154 -9.324 8.256 1.00 31.23 H new ATOM 0 HG11 VAL A 42 0.631 -11.017 10.025 1.00 33.13 H new ATOM 0 HG12 VAL A 42 -0.072 -11.720 8.548 1.00 33.13 H new ATOM 0 HG13 VAL A 42 1.671 -11.886 8.871 1.00 33.13 H new ATOM 0 HG21 VAL A 42 1.968 -9.042 9.984 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.141 -9.682 8.808 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.298 -8.149 8.480 1.00 72.01 H new ATOM 794 N GLN A 43 0.002 -12.017 5.991 1.00 74.40 N ATOM 795 CA GLN A 43 -1.147 -12.769 5.508 1.00 30.22 C ATOM 796 C GLN A 43 -1.368 -13.947 6.467 1.00 35.33 C ATOM 797 O GLN A 43 -0.617 -14.921 6.422 1.00 41.12 O ATOM 798 CB GLN A 43 -0.894 -13.186 4.046 1.00 42.11 C ATOM 799 CG GLN A 43 -2.049 -13.991 3.413 1.00 34.04 C ATOM 800 CD GLN A 43 -1.840 -14.257 1.919 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.739 -14.112 1.394 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.904 -14.663 1.227 1.00 12.51 N ATOM 0 H GLN A 43 0.773 -12.615 6.287 1.00 74.40 H new ATOM 0 HA GLN A 43 -2.063 -12.179 5.499 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.719 -12.291 3.449 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.017 -13.782 4.002 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -2.152 -14.942 3.936 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.984 -13.448 3.553 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.804 -14.773 1.694 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.818 -14.864 0.231 1.00 12.51 H new ATOM 811 N ASN A 44 -2.387 -13.806 7.327 1.00 25.45 N ATOM 812 CA ASN A 44 -2.813 -14.778 8.334 1.00 44.42 C ATOM 813 C ASN A 44 -4.172 -15.345 7.903 1.00 53.04 C ATOM 814 O ASN A 44 -5.198 -15.033 8.511 1.00 61.10 O ATOM 815 CB ASN A 44 -2.884 -14.079 9.717 1.00 64.41 C ATOM 816 CG ASN A 44 -1.528 -13.693 10.316 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.476 -14.156 9.881 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.550 -12.842 11.347 1.00 74.22 N ATOM 0 H ASN A 44 -2.964 -12.965 7.336 1.00 25.45 H new ATOM 0 HA ASN A 44 -2.105 -15.602 8.420 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.492 -13.179 9.622 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.398 -14.739 10.415 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.678 -12.560 11.795 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -2.439 -12.474 11.686 1.00 74.22 H new ATOM 825 N GLY A 45 -4.152 -16.163 6.835 1.00 55.11 N ATOM 826 CA GLY A 45 -5.345 -16.760 6.240 1.00 22.41 C ATOM 827 C GLY A 45 -6.144 -15.668 5.519 1.00 72.11 C ATOM 828 O GLY A 45 -5.639 -15.050 4.581 1.00 3.32 O ATOM 0 H GLY A 45 -3.289 -16.427 6.359 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -5.063 -17.545 5.539 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.957 -17.227 7.012 1.00 22.41 H new ATOM 832 N LYS A 46 -7.393 -15.454 5.963 1.00 5.11 N ATOM 833 CA LYS A 46 -8.258 -14.376 5.485 1.00 20.40 C ATOM 834 C LYS A 46 -7.841 -12.998 6.028 1.00 71.33 C ATOM 835 O LYS A 46 -8.016 -12.017 5.310 1.00 41.04 O ATOM 836 CB LYS A 46 -9.729 -14.679 5.833 1.00 51.11 C ATOM 837 CG LYS A 46 -10.302 -15.980 5.236 1.00 71.21 C ATOM 838 CD LYS A 46 -10.310 -16.045 3.696 1.00 71.33 C ATOM 839 CE LYS A 46 -9.092 -16.761 3.089 1.00 20.20 C ATOM 840 NZ LYS A 46 -9.162 -16.775 1.619 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.832 -16.037 6.675 1.00 5.11 H new ATOM 0 HA LYS A 46 -8.148 -14.330 4.401 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.825 -14.726 6.918 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.343 -13.844 5.495 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.723 -16.822 5.617 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.323 -16.107 5.595 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -11.217 -16.554 3.370 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.355 -15.030 3.301 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -8.177 -16.262 3.408 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -9.044 -17.784 3.463 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.328 -17.264 1.236 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -10.024 -17.273 1.317 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.184 -15.798 1.263 1.00 73.11 H new ATOM 854 N HIS A 47 -7.277 -12.940 7.250 1.00 31.14 N ATOM 855 CA HIS A 47 -6.730 -11.707 7.814 1.00 24.30 C ATOM 856 C HIS A 47 -5.442 -11.285 7.087 1.00 32.21 C ATOM 857 O HIS A 47 -4.621 -12.128 6.731 1.00 44.23 O ATOM 858 CB HIS A 47 -6.508 -11.844 9.335 1.00 54.34 C ATOM 859 CG HIS A 47 -6.115 -10.550 10.015 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.000 -9.497 10.188 1.00 54.25 N ATOM 861 CD2 HIS A 47 -4.919 -10.114 10.541 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.326 -8.506 10.778 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.055 -8.808 11.021 1.00 23.21 N ATOM 0 H HIS A 47 -7.192 -13.748 7.866 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.462 -10.914 7.661 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.422 -12.221 9.793 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.731 -12.588 9.514 1.00 54.34 H new ATOM 0 HD2 HIS A 47 -4.010 -10.696 10.577 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -6.770 -7.555 11.032 1.00 22.13 H new ATOM 0 HE2 HIS A 47 -4.343 -8.222 11.457 1.00 23.21 H new ATOM 871 N PHE A 48 -5.305 -9.971 6.909 1.00 74.42 N ATOM 872 CA PHE A 48 -4.143 -9.286 6.369 1.00 52.41 C ATOM 873 C PHE A 48 -3.752 -8.157 7.319 1.00 65.41 C ATOM 874 O PHE A 48 -4.624 -7.521 7.913 1.00 43.24 O ATOM 875 CB PHE A 48 -4.490 -8.686 4.995 1.00 3.43 C ATOM 876 CG PHE A 48 -4.293 -9.592 3.798 1.00 54.13 C ATOM 877 CD1 PHE A 48 -5.260 -10.563 3.463 1.00 12.33 C ATOM 878 CD2 PHE A 48 -3.083 -9.547 3.077 1.00 73.22 C ATOM 879 CE1 PHE A 48 -5.048 -11.408 2.384 1.00 31.21 C ATOM 880 CE2 PHE A 48 -2.894 -10.395 1.996 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.872 -11.316 1.647 1.00 72.20 C ATOM 0 H PHE A 48 -6.052 -9.321 7.155 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.319 -9.991 6.261 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.532 -8.367 5.014 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.885 -7.791 4.850 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -6.165 -10.648 4.046 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -2.306 -8.855 3.365 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -5.797 -12.138 2.116 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -1.981 -10.338 1.422 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.719 -11.965 0.798 1.00 72.20 H new ATOM 891 N LYS A 49 -2.445 -7.877 7.364 1.00 64.51 N ATOM 892 CA LYS A 49 -1.920 -6.654 7.952 1.00 74.12 C ATOM 893 C LYS A 49 -1.011 -5.991 6.914 1.00 23.12 C ATOM 894 O LYS A 49 -0.328 -6.681 6.158 1.00 32.45 O ATOM 895 CB LYS A 49 -1.147 -6.970 9.247 1.00 31.13 C ATOM 896 CG LYS A 49 -0.970 -5.758 10.180 1.00 65.33 C ATOM 897 CD LYS A 49 0.079 -5.968 11.280 1.00 22.54 C ATOM 898 CE LYS A 49 -0.139 -7.212 12.150 1.00 0.54 C ATOM 899 NZ LYS A 49 0.874 -7.288 13.215 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.726 -8.497 6.991 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.732 -5.977 8.219 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.670 -7.759 9.788 1.00 31.13 H new ATOM 0 HB3 LYS A 49 -0.164 -7.361 8.985 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -0.688 -4.891 9.583 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -1.928 -5.527 10.645 1.00 65.33 H new ATOM 0 HD2 LYS A 49 1.063 -6.035 10.816 1.00 22.54 H new ATOM 0 HD3 LYS A 49 0.090 -5.089 11.924 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -1.135 -7.183 12.591 1.00 0.54 H new ATOM 0 HE3 LYS A 49 -0.090 -8.108 11.531 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 0.708 -8.137 13.792 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 1.822 -7.338 12.790 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 0.809 -6.442 13.817 1.00 11.34 H new ATOM 913 N PHE A 50 -1.000 -4.659 6.941 1.00 3.40 N ATOM 914 CA PHE A 50 0.020 -3.820 6.332 1.00 12.22 C ATOM 915 C PHE A 50 0.586 -2.917 7.425 1.00 40.53 C ATOM 916 O PHE A 50 -0.169 -2.433 8.268 1.00 2.33 O ATOM 917 CB PHE A 50 -0.576 -2.977 5.183 1.00 4.42 C ATOM 918 CG PHE A 50 -0.724 -3.699 3.857 1.00 74.03 C ATOM 919 CD1 PHE A 50 -1.690 -4.717 3.695 1.00 50.23 C ATOM 920 CD2 PHE A 50 0.167 -3.427 2.796 1.00 61.21 C ATOM 921 CE1 PHE A 50 -1.767 -5.419 2.501 1.00 41.23 C ATOM 922 CE2 PHE A 50 0.055 -4.125 1.601 1.00 2.54 C ATOM 923 CZ PHE A 50 -0.905 -5.118 1.457 1.00 33.23 C ATOM 0 H PHE A 50 -1.730 -4.119 7.406 1.00 3.40 H new ATOM 0 HA PHE A 50 0.809 -4.437 5.902 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -1.556 -2.614 5.492 1.00 4.42 H new ATOM 0 HB3 PHE A 50 0.055 -2.101 5.032 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.369 -4.949 4.502 1.00 50.23 H new ATOM 0 HD2 PHE A 50 0.935 -2.677 2.914 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -2.501 -6.203 2.384 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.717 -3.895 0.780 1.00 2.54 H new ATOM 0 HZ PHE A 50 -0.981 -5.660 0.526 1.00 33.23 H new ATOM 933 N THR A 51 1.896 -2.675 7.352 1.00 53.41 N ATOM 934 CA THR A 51 2.563 -1.584 8.046 1.00 52.03 C ATOM 935 C THR A 51 3.327 -0.822 6.962 1.00 73.11 C ATOM 936 O THR A 51 4.057 -1.454 6.207 1.00 24.43 O ATOM 937 CB THR A 51 3.580 -2.072 9.107 1.00 20.44 C ATOM 938 OG1 THR A 51 2.956 -2.970 10.005 1.00 61.14 O ATOM 939 CG2 THR A 51 4.229 -0.947 9.926 1.00 52.31 C ATOM 0 H THR A 51 2.532 -3.247 6.796 1.00 53.41 H new ATOM 0 HA THR A 51 1.824 -0.984 8.576 1.00 52.03 H new ATOM 0 HB THR A 51 4.374 -2.558 8.539 1.00 20.44 H new ATOM 0 HG1 THR A 51 2.309 -2.484 10.557 1.00 61.14 H new ATOM 0 HG21 THR A 51 4.927 -1.376 10.645 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.765 -0.273 9.258 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.456 -0.392 10.458 1.00 52.31 H new ATOM 947 N ILE A 52 3.100 0.491 6.859 1.00 25.40 N ATOM 948 CA ILE A 52 3.634 1.335 5.799 1.00 53.13 C ATOM 949 C ILE A 52 4.355 2.499 6.495 1.00 32.23 C ATOM 950 O ILE A 52 3.695 3.366 7.066 1.00 61.24 O ATOM 951 CB ILE A 52 2.495 1.872 4.876 1.00 31.34 C ATOM 952 CG1 ILE A 52 1.710 0.728 4.183 1.00 71.24 C ATOM 953 CG2 ILE A 52 2.981 2.891 3.825 1.00 40.02 C ATOM 954 CD1 ILE A 52 0.325 1.144 3.669 1.00 52.10 C ATOM 0 H ILE A 52 2.526 1.003 7.529 1.00 25.40 H new ATOM 0 HA ILE A 52 4.313 0.770 5.160 1.00 53.13 H new ATOM 0 HB ILE A 52 1.820 2.400 5.549 1.00 31.34 H new ATOM 0 HG12 ILE A 52 2.299 0.352 3.346 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.593 -0.096 4.886 1.00 71.24 H new ATOM 0 HG21 ILE A 52 2.136 3.221 3.220 1.00 40.02 H new ATOM 0 HG22 ILE A 52 3.424 3.750 4.329 1.00 40.02 H new ATOM 0 HG23 ILE A 52 3.727 2.423 3.182 1.00 40.02 H new ATOM 0 HD11 ILE A 52 -0.160 0.289 3.198 1.00 52.10 H new ATOM 0 HD12 ILE A 52 -0.284 1.492 4.504 1.00 52.10 H new ATOM 0 HD13 ILE A 52 0.434 1.947 2.940 1.00 52.10 H new ATOM 966 N THR A 53 5.695 2.456 6.480 1.00 2.25 N ATOM 967 CA THR A 53 6.555 3.374 7.220 1.00 34.41 C ATOM 968 C THR A 53 7.407 4.197 6.243 1.00 12.24 C ATOM 969 O THR A 53 8.218 3.625 5.520 1.00 50.34 O ATOM 970 CB THR A 53 7.508 2.596 8.166 1.00 3.33 C ATOM 971 OG1 THR A 53 6.734 1.849 9.082 1.00 41.31 O ATOM 972 CG2 THR A 53 8.480 3.477 8.974 1.00 74.21 C ATOM 0 H THR A 53 6.216 1.765 5.940 1.00 2.25 H new ATOM 0 HA THR A 53 5.915 4.030 7.809 1.00 34.41 H new ATOM 0 HB THR A 53 8.120 1.969 7.517 1.00 3.33 H new ATOM 0 HG1 THR A 53 7.328 1.352 9.683 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.105 2.845 9.605 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.112 4.044 8.290 1.00 74.21 H new ATOM 0 HG23 THR A 53 7.912 4.166 9.599 1.00 74.21 H new ATOM 980 N ALA A 54 7.217 5.525 6.258 1.00 42.32 N ATOM 981 CA ALA A 54 7.942 6.485 5.423 1.00 33.40 C ATOM 982 C ALA A 54 7.743 7.895 5.992 1.00 4.42 C ATOM 983 O ALA A 54 6.658 8.190 6.492 1.00 71.34 O ATOM 984 CB ALA A 54 7.425 6.430 3.972 1.00 22.53 C ATOM 0 H ALA A 54 6.534 5.970 6.871 1.00 42.32 H new ATOM 0 HA ALA A 54 9.002 6.233 5.423 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.973 7.149 3.363 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.573 5.427 3.571 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.363 6.675 3.955 1.00 22.53 H new ATOM 990 N GLY A 55 8.770 8.751 5.869 1.00 31.11 N ATOM 991 CA GLY A 55 8.710 10.164 6.264 1.00 55.23 C ATOM 992 C GLY A 55 8.643 10.370 7.789 1.00 64.53 C ATOM 993 O GLY A 55 8.113 11.390 8.228 1.00 72.42 O ATOM 0 H GLY A 55 9.675 8.476 5.488 1.00 31.11 H new ATOM 0 HA2 GLY A 55 9.587 10.680 5.873 1.00 55.23 H new ATOM 0 HA3 GLY A 55 7.836 10.626 5.804 1.00 55.23 H new ATOM 997 N SER A 56 9.147 9.406 8.583 1.00 20.05 N ATOM 998 CA SER A 56 9.153 9.387 10.053 1.00 64.53 C ATOM 999 C SER A 56 7.738 9.273 10.669 1.00 74.02 C ATOM 1000 O SER A 56 7.466 9.871 11.711 1.00 44.30 O ATOM 1001 CB SER A 56 10.010 10.551 10.614 1.00 55.44 C ATOM 1002 OG SER A 56 10.275 10.396 11.995 1.00 64.35 O ATOM 0 H SER A 56 9.585 8.573 8.190 1.00 20.05 H new ATOM 0 HA SER A 56 9.641 8.466 10.373 1.00 64.53 H new ATOM 0 HB2 SER A 56 10.952 10.604 10.068 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.492 11.495 10.448 1.00 55.44 H new ATOM 0 HG SER A 56 9.433 10.254 12.476 1.00 64.35 H new ATOM 1008 N LYS A 57 6.871 8.480 10.021 1.00 63.33 N ATOM 1009 CA LYS A 57 5.541 8.119 10.506 1.00 55.45 C ATOM 1010 C LYS A 57 5.188 6.714 10.006 1.00 41.21 C ATOM 1011 O LYS A 57 5.671 6.297 8.952 1.00 52.43 O ATOM 1012 CB LYS A 57 4.495 9.205 10.133 1.00 2.22 C ATOM 1013 CG LYS A 57 4.260 9.470 8.630 1.00 75.24 C ATOM 1014 CD LYS A 57 3.243 8.542 7.931 1.00 51.34 C ATOM 1015 CE LYS A 57 1.876 9.200 7.687 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.179 9.529 8.941 1.00 60.33 N1+ ATOM 0 H LYS A 57 7.089 8.062 9.116 1.00 63.33 H new ATOM 0 HA LYS A 57 5.533 8.083 11.595 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.541 8.924 10.580 1.00 2.22 H new ATOM 0 HB3 LYS A 57 4.800 10.142 10.598 1.00 2.22 H new ATOM 0 HG2 LYS A 57 3.924 10.500 8.511 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.215 9.385 8.112 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.656 8.218 6.976 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.103 7.647 8.538 1.00 51.34 H new ATOM 0 HE2 LYS A 57 2.013 10.109 7.101 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.254 8.530 7.094 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.235 9.908 8.724 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 1.083 8.671 9.520 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 1.726 10.241 9.465 1.00 60.33 H new ATOM 1030 N VAL A 58 4.346 6.023 10.788 1.00 55.31 N ATOM 1031 CA VAL A 58 3.926 4.647 10.545 1.00 42.03 C ATOM 1032 C VAL A 58 2.394 4.623 10.413 1.00 54.23 C ATOM 1033 O VAL A 58 1.699 4.942 11.378 1.00 21.21 O ATOM 1034 CB VAL A 58 4.330 3.718 11.730 1.00 0.10 C ATOM 1035 CG1 VAL A 58 3.895 2.254 11.524 1.00 44.04 C ATOM 1036 CG2 VAL A 58 5.842 3.766 12.020 1.00 42.14 C ATOM 0 H VAL A 58 3.930 6.423 11.629 1.00 55.31 H new ATOM 0 HA VAL A 58 4.411 4.289 9.637 1.00 42.03 H new ATOM 0 HB VAL A 58 3.792 4.113 12.592 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.205 1.658 12.382 1.00 44.04 H new ATOM 0 HG12 VAL A 58 2.811 2.207 11.422 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.361 1.860 10.621 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.074 3.103 12.853 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.392 3.444 11.136 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.131 4.785 12.276 1.00 42.14 H new ATOM 1046 N ILE A 59 1.904 4.214 9.232 1.00 41.03 N ATOM 1047 CA ILE A 59 0.504 3.852 9.007 1.00 34.25 C ATOM 1048 C ILE A 59 0.389 2.325 9.183 1.00 14.03 C ATOM 1049 O ILE A 59 1.308 1.612 8.777 1.00 51.40 O ATOM 1050 CB ILE A 59 0.025 4.187 7.555 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.336 5.646 7.143 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -1.481 3.905 7.333 1.00 24.12 C ATOM 1053 CD1 ILE A 59 1.621 5.785 6.313 1.00 72.32 C ATOM 0 H ILE A 59 2.482 4.126 8.396 1.00 41.03 H new ATOM 0 HA ILE A 59 -0.110 4.416 9.710 1.00 34.25 H new ATOM 0 HB ILE A 59 0.598 3.514 6.917 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.503 6.040 6.569 1.00 33.02 H new ATOM 0 HG13 ILE A 59 0.424 6.258 8.041 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.751 4.157 6.308 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -1.684 2.849 7.512 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -2.070 4.510 8.023 1.00 24.12 H new ATOM 0 HD11 ILE A 59 1.778 6.833 6.059 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.469 5.421 6.892 1.00 72.32 H new ATOM 0 HD13 ILE A 59 1.528 5.200 5.398 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.733 1.845 9.741 1.00 35.51 N ATOM 1066 CA GLN A 60 -1.080 0.422 9.733 1.00 42.05 C ATOM 1067 C GLN A 60 -2.525 0.215 9.279 1.00 42.53 C ATOM 1068 O GLN A 60 -3.408 0.960 9.698 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.867 -0.233 11.113 1.00 21.23 C ATOM 1070 CG GLN A 60 0.609 -0.347 11.527 1.00 52.05 C ATOM 1071 CD GLN A 60 0.828 -1.450 12.561 1.00 73.31 C ATOM 1072 OE1 GLN A 60 0.820 -2.631 12.219 1.00 23.35 O ATOM 1073 NE2 GLN A 60 1.037 -1.076 13.823 1.00 13.55 N ATOM 0 H GLN A 60 -1.422 2.434 10.209 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.409 -0.062 9.023 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -1.402 0.346 11.866 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -1.310 -1.229 11.104 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.218 -0.549 10.646 1.00 52.05 H new ATOM 0 HG3 GLN A 60 0.946 0.606 11.936 1.00 52.05 H new ATOM 0 HE21 GLN A 60 1.036 -0.086 14.068 1.00 13.55 H new ATOM 0 HE22 GLN A 60 1.198 -1.780 14.544 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.739 -0.839 8.477 1.00 23.42 N ATOM 1083 CA ASN A 61 -4.063 -1.344 8.117 1.00 41.34 C ATOM 1084 C ASN A 61 -4.186 -2.774 8.637 1.00 52.20 C ATOM 1085 O ASN A 61 -3.238 -3.551 8.528 1.00 25.44 O ATOM 1086 CB ASN A 61 -4.285 -1.332 6.583 1.00 25.31 C ATOM 1087 CG ASN A 61 -4.239 0.039 5.902 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -4.058 0.117 4.689 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -4.428 1.123 6.654 1.00 11.11 N ATOM 0 H ASN A 61 -1.978 -1.371 8.055 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.818 -0.697 8.563 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -3.529 -1.968 6.123 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -5.254 -1.786 6.374 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -4.425 2.048 6.225 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -4.576 1.027 7.659 1.00 11.11 H new ATOM 1096 N GLU A 62 -5.376 -3.089 9.163 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.777 -4.413 9.615 1.00 21.24 C ATOM 1098 C GLU A 62 -7.156 -4.681 9.017 1.00 44.03 C ATOM 1099 O GLU A 62 -8.096 -3.936 9.297 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.785 -4.464 11.156 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.376 -4.671 11.736 1.00 34.42 C ATOM 1102 CD GLU A 62 -4.350 -4.562 13.258 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -4.336 -3.410 13.740 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -4.329 -5.629 13.909 1.00 11.32 O1- ATOM 0 H GLU A 62 -6.112 -2.394 9.287 1.00 40.14 H new ATOM 0 HA GLU A 62 -5.080 -5.185 9.288 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.205 -3.537 11.547 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.436 -5.273 11.488 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -4.004 -5.652 11.439 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -3.699 -3.931 11.310 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.233 -5.722 8.179 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.447 -6.094 7.464 1.00 33.44 C ATOM 1113 C PHE A 63 -8.505 -7.600 7.222 1.00 12.32 C ATOM 1114 O PHE A 63 -7.497 -8.287 7.365 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.592 -5.271 6.166 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.511 -5.456 5.111 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -6.394 -4.596 5.089 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -7.555 -6.548 4.216 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -5.401 -4.773 4.136 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -6.549 -6.711 3.275 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.485 -5.819 3.224 1.00 52.40 C ATOM 0 H PHE A 63 -6.441 -6.333 7.980 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.307 -5.851 8.088 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.553 -5.516 5.714 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.627 -4.215 6.435 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -6.311 -3.800 5.814 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -8.370 -7.255 4.264 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -4.560 -4.096 4.103 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -6.593 -7.535 2.579 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.719 -5.939 2.472 1.00 52.40 H new ATOM 1131 N THR A 64 -9.695 -8.073 6.840 1.00 34.14 N ATOM 1132 CA THR A 64 -9.959 -9.462 6.500 1.00 3.13 C ATOM 1133 C THR A 64 -10.671 -9.482 5.142 1.00 74.33 C ATOM 1134 O THR A 64 -11.694 -8.811 4.996 1.00 14.33 O ATOM 1135 CB THR A 64 -10.852 -10.130 7.580 1.00 62.34 C ATOM 1136 OG1 THR A 64 -10.151 -10.157 8.809 1.00 32.13 O ATOM 1137 CG2 THR A 64 -11.291 -11.569 7.270 1.00 71.51 C ATOM 0 H THR A 64 -10.520 -7.479 6.759 1.00 34.14 H new ATOM 0 HA THR A 64 -9.024 -10.020 6.452 1.00 3.13 H new ATOM 0 HB THR A 64 -11.757 -9.524 7.613 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.711 -10.576 9.496 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.910 -11.944 8.085 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.864 -11.583 6.343 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.411 -12.203 7.162 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.101 -10.210 4.166 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.626 -10.255 2.799 1.00 54.10 C ATOM 1147 C VAL A 65 -11.965 -11.017 2.730 1.00 54.34 C ATOM 1148 O VAL A 65 -12.050 -12.163 3.176 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.612 -10.811 1.757 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.397 -9.879 1.635 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.169 -12.275 1.947 1.00 44.43 C ATOM 0 H VAL A 65 -9.267 -10.780 4.306 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.805 -9.216 2.522 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.172 -10.829 0.822 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -7.700 -10.285 0.902 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.727 -8.891 1.314 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -7.901 -9.799 2.602 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.464 -12.547 1.161 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -8.690 -12.387 2.920 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.040 -12.928 1.895 1.00 44.43 H new ATOM 1161 N GLY A 66 -12.989 -10.315 2.221 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.379 -10.762 2.174 1.00 2.14 C ATOM 1163 C GLY A 66 -15.231 -10.171 3.314 1.00 14.12 C ATOM 1164 O GLY A 66 -16.444 -10.379 3.298 1.00 1.40 O ATOM 0 H GLY A 66 -12.861 -9.387 1.817 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -14.815 -10.480 1.216 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.409 -11.850 2.230 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.637 -9.440 4.278 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.336 -8.781 5.391 1.00 2.33 C ATOM 1170 C GLU A 67 -15.058 -7.270 5.381 1.00 4.41 C ATOM 1171 O GLU A 67 -14.002 -6.847 4.908 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.857 -9.365 6.736 1.00 31.54 C ATOM 1173 CG GLU A 67 -15.155 -10.866 6.928 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.714 -11.413 8.290 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -14.579 -12.654 8.376 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -14.514 -10.604 9.222 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.628 -9.290 4.301 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.405 -8.954 5.271 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.782 -9.208 6.823 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.327 -8.808 7.547 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -16.226 -11.033 6.809 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.655 -11.430 6.141 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.991 -6.491 5.960 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.784 -5.070 6.245 1.00 12.25 C ATOM 1185 C GLU A 68 -14.933 -4.917 7.514 1.00 3.41 C ATOM 1186 O GLU A 68 -15.262 -5.504 8.546 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.129 -4.323 6.380 1.00 12.34 C ATOM 1188 CG GLU A 68 -16.952 -2.789 6.462 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.254 -2.052 6.748 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -18.594 -1.957 7.948 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.870 -1.574 5.772 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.909 -6.836 6.241 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.251 -4.619 5.408 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.763 -4.567 5.527 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.647 -4.673 7.273 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.229 -2.554 7.243 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.535 -2.427 5.522 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.880 -4.101 7.403 1.00 35.11 N ATOM 1199 CA CYS A 69 -13.005 -3.685 8.498 1.00 24.14 C ATOM 1200 C CYS A 69 -12.868 -2.152 8.431 1.00 1.24 C ATOM 1201 O CYS A 69 -13.690 -1.512 7.774 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.654 -4.429 8.444 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.914 -6.192 8.805 1.00 73.13 S ATOM 0 H CYS A 69 -13.604 -3.696 6.508 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.432 -3.952 9.465 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.202 -4.312 7.459 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.961 -3.998 9.166 1.00 31.21 H new ATOM 0 HG CYS A 69 -13.188 -6.432 8.901 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.871 -1.572 9.123 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.627 -0.129 9.119 1.00 52.30 C ATOM 1211 C GLU A 70 -10.157 0.123 8.747 1.00 74.34 C ATOM 1212 O GLU A 70 -9.263 -0.429 9.390 1.00 25.25 O ATOM 1213 CB GLU A 70 -12.041 0.469 10.481 1.00 50.13 C ATOM 1214 CG GLU A 70 -12.319 1.979 10.398 1.00 14.35 C ATOM 1215 CD GLU A 70 -12.779 2.581 11.724 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -11.925 2.683 12.632 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -13.977 2.930 11.805 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.214 -2.097 9.700 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.235 0.378 8.370 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -12.933 -0.042 10.843 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.251 0.287 11.210 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -11.415 2.491 10.069 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -13.081 2.160 9.640 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.951 0.925 7.689 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.651 1.198 7.077 1.00 60.35 C ATOM 1226 C LEU A 71 -8.200 2.620 7.422 1.00 15.41 C ATOM 1227 O LEU A 71 -8.907 3.578 7.108 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.751 1.035 5.539 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.362 -0.367 5.023 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -9.246 -1.488 5.600 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -8.328 -0.397 3.482 1.00 4.32 C ATOM 0 H LEU A 71 -10.715 1.415 7.224 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.919 0.490 7.465 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.772 1.254 5.228 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -8.108 1.776 5.064 1.00 65.33 H new ATOM 0 HG LEU A 71 -7.355 -0.568 5.387 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.923 -2.449 5.199 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.157 -1.499 6.686 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -10.285 -1.311 5.323 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -8.051 -1.396 3.144 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -9.313 -0.141 3.091 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.596 0.325 3.120 1.00 4.32 H new ATOM 1243 N GLU A 72 -6.990 2.706 7.994 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.239 3.941 8.213 1.00 5.22 C ATOM 1245 C GLU A 72 -5.603 4.436 6.895 1.00 54.31 C ATOM 1246 O GLU A 72 -5.497 3.674 5.933 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.182 3.653 9.298 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.567 4.893 9.971 1.00 61.31 C ATOM 1249 CD GLU A 72 -3.586 4.475 11.064 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -2.377 4.427 10.754 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -4.065 4.187 12.182 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.492 1.881 8.328 1.00 40.11 H new ATOM 0 HA GLU A 72 -6.896 4.742 8.550 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -5.638 3.032 10.069 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.378 3.068 8.851 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -4.054 5.502 9.226 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -5.356 5.511 10.399 1.00 61.31 H new ATOM 1258 N THR A 73 -5.196 5.710 6.866 1.00 14.12 N ATOM 1259 CA THR A 73 -4.618 6.361 5.690 1.00 13.34 C ATOM 1260 C THR A 73 -3.403 7.227 6.087 1.00 65.20 C ATOM 1261 O THR A 73 -3.092 7.357 7.272 1.00 23.23 O ATOM 1262 CB THR A 73 -5.687 7.242 4.979 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.109 8.328 5.778 1.00 65.12 O ATOM 1264 CG2 THR A 73 -6.939 6.463 4.548 1.00 60.04 C ATOM 0 H THR A 73 -5.261 6.327 7.676 1.00 14.12 H new ATOM 0 HA THR A 73 -4.283 5.585 5.002 1.00 13.34 H new ATOM 0 HB THR A 73 -5.174 7.607 4.089 1.00 62.31 H new ATOM 0 HG1 THR A 73 -5.625 9.137 5.512 1.00 65.12 H new ATOM 0 HG21 THR A 73 -7.639 7.141 4.060 1.00 60.04 H new ATOM 0 HG22 THR A 73 -6.655 5.673 3.853 1.00 60.04 H new ATOM 0 HG23 THR A 73 -7.413 6.022 5.425 1.00 60.04 H new ATOM 1272 N MET A 74 -2.738 7.799 5.065 1.00 72.21 N ATOM 1273 CA MET A 74 -1.600 8.726 5.152 1.00 42.23 C ATOM 1274 C MET A 74 -1.826 9.928 6.093 1.00 45.20 C ATOM 1275 O MET A 74 -0.900 10.327 6.797 1.00 11.12 O ATOM 1276 CB MET A 74 -1.285 9.249 3.732 1.00 54.15 C ATOM 1277 CG MET A 74 -0.795 8.206 2.714 1.00 21.54 C ATOM 1278 SD MET A 74 0.776 7.375 3.089 1.00 51.13 S ATOM 1279 CE MET A 74 1.907 8.790 3.164 1.00 13.43 C ATOM 0 H MET A 74 -3.000 7.612 4.097 1.00 72.21 H new ATOM 0 HA MET A 74 -0.770 8.162 5.578 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.184 9.720 3.334 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.527 10.028 3.815 1.00 54.15 H new ATOM 0 HG2 MET A 74 -1.567 7.443 2.610 1.00 21.54 H new ATOM 0 HG3 MET A 74 -0.698 8.696 1.745 1.00 21.54 H new ATOM 0 HE1 MET A 74 2.936 8.432 3.191 1.00 13.43 H new ATOM 0 HE2 MET A 74 1.764 9.417 2.284 1.00 13.43 H new ATOM 0 HE3 MET A 74 1.702 9.373 4.062 1.00 13.43 H new ATOM 1289 N THR A 75 -3.054 10.467 6.087 1.00 42.35 N ATOM 1290 CA THR A 75 -3.509 11.592 6.908 1.00 12.24 C ATOM 1291 C THR A 75 -3.843 11.211 8.370 1.00 50.13 C ATOM 1292 O THR A 75 -3.955 12.117 9.195 1.00 10.31 O ATOM 1293 CB THR A 75 -4.807 12.184 6.300 1.00 54.03 C ATOM 1294 OG1 THR A 75 -5.827 11.206 6.248 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.634 12.757 4.890 1.00 32.15 C ATOM 0 H THR A 75 -3.791 10.111 5.478 1.00 42.35 H new ATOM 0 HA THR A 75 -2.679 12.299 6.916 1.00 12.24 H new ATOM 0 HB THR A 75 -5.076 13.006 6.964 1.00 54.03 H new ATOM 0 HG1 THR A 75 -6.673 11.629 5.989 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.587 13.151 4.538 1.00 32.15 H new ATOM 0 HG22 THR A 75 -3.896 13.559 4.911 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.295 11.970 4.216 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.012 9.912 8.672 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.428 9.431 9.990 1.00 42.54 C ATOM 1305 C GLY A 76 -5.960 9.370 10.140 1.00 52.34 C ATOM 1306 O GLY A 76 -6.435 9.096 11.241 1.00 50.44 O ATOM 0 H GLY A 76 -3.861 9.163 7.997 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.010 8.439 10.160 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.017 10.086 10.758 1.00 42.54 H new ATOM 1310 N GLU A 77 -6.731 9.588 9.056 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.163 9.281 8.982 1.00 22.12 C ATOM 1312 C GLU A 77 -8.385 7.761 8.952 1.00 21.20 C ATOM 1313 O GLU A 77 -7.561 7.045 8.385 1.00 41.31 O ATOM 1314 CB GLU A 77 -8.762 9.898 7.701 1.00 15.43 C ATOM 1315 CG GLU A 77 -8.815 11.436 7.690 1.00 15.44 C ATOM 1316 CD GLU A 77 -9.216 11.955 6.311 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -10.426 11.913 6.000 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -8.296 12.334 5.554 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.363 9.990 8.194 1.00 21.31 H new ATOM 0 HA GLU A 77 -8.652 9.699 9.862 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.177 9.562 6.845 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -9.773 9.513 7.567 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -9.528 11.785 8.436 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -7.841 11.840 7.966 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.514 7.314 9.521 1.00 55.25 N ATOM 1326 CA LYS A 78 -9.976 5.929 9.463 1.00 3.40 C ATOM 1327 C LYS A 78 -11.401 5.900 8.899 1.00 71.00 C ATOM 1328 O LYS A 78 -12.222 6.724 9.307 1.00 4.24 O ATOM 1329 CB LYS A 78 -9.946 5.302 10.869 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.536 5.081 11.446 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.570 4.231 12.726 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.689 2.722 12.446 1.00 24.13 C ATOM 1333 NZ LYS A 78 -9.243 2.004 13.606 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.142 7.923 10.045 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.318 5.351 8.815 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.506 5.943 11.550 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.464 4.344 10.836 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -7.911 4.590 10.700 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.076 6.045 11.662 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -7.664 4.417 13.303 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.411 4.547 13.343 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.327 2.561 11.577 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.707 2.317 12.200 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -8.934 1.011 13.580 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -8.905 2.449 14.483 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -10.282 2.044 13.575 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.676 4.941 7.998 1.00 1.35 N ATOM 1348 CA VAL A 79 -13.003 4.728 7.414 1.00 52.00 C ATOM 1349 C VAL A 79 -13.275 3.236 7.180 1.00 21.12 C ATOM 1350 O VAL A 79 -12.357 2.480 6.852 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.201 5.465 6.056 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.234 6.991 6.225 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.218 5.049 4.945 1.00 11.12 C ATOM 0 H VAL A 79 -10.973 4.287 7.654 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.702 5.140 8.142 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.181 5.135 5.712 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.374 7.462 5.252 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.058 7.266 6.883 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.294 7.329 6.660 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.433 5.615 4.038 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.197 5.254 5.267 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.328 3.984 4.742 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.553 2.855 7.348 1.00 53.10 N ATOM 1364 CA LYS A 80 -15.068 1.512 7.095 1.00 4.31 C ATOM 1365 C LYS A 80 -15.081 1.168 5.598 1.00 51.25 C ATOM 1366 O LYS A 80 -15.562 1.975 4.802 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.484 1.386 7.691 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.495 1.039 9.187 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.930 0.983 9.743 1.00 15.03 C ATOM 1370 CE LYS A 80 -18.086 0.115 10.999 1.00 54.32 C ATOM 1371 NZ LYS A 80 -17.892 -1.312 10.688 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.273 3.499 7.674 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.400 0.798 7.577 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -17.017 2.325 7.541 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -17.032 0.618 7.145 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -16.006 0.077 9.342 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.919 1.782 9.738 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -18.258 1.997 9.973 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -18.593 0.601 8.967 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -17.363 0.427 11.752 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -19.077 0.265 11.427 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -18.488 -1.888 11.316 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -18.158 -1.491 9.699 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -16.893 -1.565 10.829 1.00 45.32 H new ATOM 1385 N THR A 81 -14.603 -0.042 5.267 1.00 62.20 N ATOM 1386 CA THR A 81 -14.644 -0.599 3.917 1.00 53.21 C ATOM 1387 C THR A 81 -14.251 -2.091 3.913 1.00 74.41 C ATOM 1388 O THR A 81 -13.498 -2.541 4.778 1.00 1.11 O ATOM 1389 CB THR A 81 -13.737 0.177 2.914 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.914 -0.315 1.600 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.226 0.117 3.220 1.00 11.41 C ATOM 0 H THR A 81 -14.170 -0.667 5.947 1.00 62.20 H new ATOM 0 HA THR A 81 -15.677 -0.494 3.585 1.00 53.21 H new ATOM 0 HB THR A 81 -14.056 1.214 3.017 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.691 0.388 0.955 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.680 0.686 2.468 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.037 0.543 4.205 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.892 -0.921 3.204 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.765 -2.811 2.905 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.403 -4.184 2.565 1.00 2.52 C ATOM 1401 C VAL A 82 -13.136 -4.195 1.687 1.00 71.31 C ATOM 1402 O VAL A 82 -12.931 -3.279 0.886 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.563 -4.870 1.778 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.256 -6.306 1.298 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -16.871 -4.890 2.589 1.00 41.33 C ATOM 0 H VAL A 82 -15.476 -2.430 2.280 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.217 -4.728 3.491 1.00 2.52 H new ATOM 0 HB VAL A 82 -15.677 -4.250 0.889 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.118 -6.702 0.761 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.391 -6.291 0.635 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.042 -6.939 2.159 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.653 -5.376 2.006 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.715 -5.440 3.517 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.172 -3.868 2.819 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.332 -5.258 1.833 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.220 -5.566 0.934 1.00 1.45 C ATOM 1417 C VAL A 83 -11.489 -6.939 0.291 1.00 42.54 C ATOM 1418 O VAL A 83 -12.080 -7.809 0.930 1.00 75.24 O ATOM 1419 CB VAL A 83 -9.859 -5.617 1.686 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.660 -5.795 0.726 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.655 -4.375 2.579 1.00 54.42 C ATOM 0 H VAL A 83 -12.440 -5.934 2.589 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.154 -4.778 0.183 1.00 1.45 H new ATOM 0 HB VAL A 83 -9.899 -6.498 2.327 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.735 -5.824 1.301 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.773 -6.727 0.172 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.626 -4.959 0.027 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.694 -4.447 3.088 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.673 -3.476 1.962 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.454 -4.323 3.319 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.072 -7.090 -0.973 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.230 -8.296 -1.784 1.00 63.42 C ATOM 1433 C GLN A 84 -9.858 -8.797 -2.254 1.00 34.52 C ATOM 1434 O GLN A 84 -8.886 -8.042 -2.223 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.132 -7.965 -2.998 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.576 -7.528 -2.661 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.444 -8.598 -1.987 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -14.043 -9.748 -1.819 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.666 -8.220 -1.611 1.00 15.21 N ATOM 0 H GLN A 84 -10.596 -6.341 -1.476 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.694 -9.084 -1.191 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.657 -7.171 -3.574 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.179 -8.843 -3.643 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.531 -6.656 -2.009 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.067 -7.212 -3.582 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -15.972 -7.259 -1.763 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.295 -8.892 -1.171 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.818 -10.066 -2.696 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.623 -10.720 -3.220 1.00 3.11 C ATOM 1450 C LEU A 85 -9.001 -11.622 -4.402 1.00 44.15 C ATOM 1451 O LEU A 85 -9.901 -12.453 -4.273 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.904 -11.481 -2.083 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.575 -12.176 -2.486 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.419 -11.863 -1.518 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.757 -13.697 -2.650 1.00 63.34 C ATOM 0 H LEU A 85 -10.638 -10.673 -2.696 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.920 -9.979 -3.600 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.698 -10.781 -1.273 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.584 -12.235 -1.687 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.298 -11.759 -3.454 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.517 -12.376 -1.851 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.240 -10.788 -1.501 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.681 -12.203 -0.516 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.806 -14.149 -2.932 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -7.097 -14.126 -1.708 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.497 -13.893 -3.426 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.275 -11.443 -5.514 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.409 -12.205 -6.755 1.00 41.11 C ATOM 1469 C GLU A 86 -7.453 -13.413 -6.764 1.00 1.21 C ATOM 1470 O GLU A 86 -6.576 -13.521 -5.907 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.096 -11.267 -7.950 1.00 33.43 C ATOM 1472 CG GLU A 86 -8.850 -9.918 -7.962 1.00 24.04 C ATOM 1473 CD GLU A 86 -10.373 -10.051 -7.867 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -10.958 -9.292 -7.063 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -10.925 -10.906 -8.593 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.547 -10.731 -5.572 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.427 -12.586 -6.836 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.025 -11.063 -7.957 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.325 -11.798 -8.874 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -8.497 -9.309 -7.130 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -8.599 -9.382 -8.878 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.614 -14.282 -7.776 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.739 -15.433 -8.024 1.00 74.23 C ATOM 1484 C GLY A 87 -5.428 -15.049 -8.740 1.00 62.21 C ATOM 1485 O GLY A 87 -4.664 -15.945 -9.096 1.00 1.23 O ATOM 0 H GLY A 87 -8.371 -14.200 -8.455 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.501 -15.913 -7.075 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.275 -16.167 -8.627 1.00 74.23 H new ATOM 1489 N ASP A 88 -5.183 -13.748 -8.970 1.00 51.20 N ATOM 1490 CA ASP A 88 -4.082 -13.193 -9.766 1.00 31.33 C ATOM 1491 C ASP A 88 -3.111 -12.359 -8.910 1.00 53.45 C ATOM 1492 O ASP A 88 -2.569 -11.371 -9.405 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.600 -12.389 -10.985 1.00 70.11 C ATOM 1494 CG ASP A 88 -5.600 -13.147 -11.856 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -5.127 -13.877 -12.754 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -6.816 -12.965 -11.620 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.782 -13.018 -8.583 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.518 -14.041 -10.153 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -5.068 -11.471 -10.628 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -3.749 -12.095 -11.600 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.872 -12.781 -7.652 1.00 44.15 N ATOM 1502 CA ASN A 89 -1.972 -12.144 -6.668 1.00 32.45 C ATOM 1503 C ASN A 89 -2.292 -10.656 -6.389 1.00 53.43 C ATOM 1504 O ASN A 89 -1.379 -9.860 -6.168 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.444 -12.458 -6.877 1.00 21.54 C ATOM 1506 CG ASN A 89 -0.008 -13.069 -8.215 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.183 -14.262 -8.443 1.00 53.32 O ATOM 1508 ND2 ASN A 89 0.573 -12.256 -9.100 1.00 2.41 N ATOM 0 H ASN A 89 -3.323 -13.615 -7.276 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.207 -12.646 -5.730 1.00 32.45 H new ATOM 0 HB2 ASN A 89 0.109 -11.529 -6.739 1.00 21.54 H new ATOM 0 HB3 ASN A 89 -0.131 -13.136 -6.083 1.00 21.54 H new ATOM 0 HD21 ASN A 89 0.887 -12.622 -9.999 1.00 2.41 H new ATOM 0 HD22 ASN A 89 0.703 -11.269 -8.877 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.591 -10.305 -6.435 1.00 32.00 N ATOM 1516 CA LYS A 90 -4.087 -8.930 -6.431 1.00 75.42 C ATOM 1517 C LYS A 90 -5.152 -8.725 -5.346 1.00 54.10 C ATOM 1518 O LYS A 90 -6.241 -9.289 -5.450 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.618 -8.584 -7.842 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.487 -8.220 -8.822 1.00 64.21 C ATOM 1521 CD LYS A 90 -3.831 -8.428 -10.305 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.956 -7.536 -10.836 1.00 74.24 C ATOM 1523 NZ LYS A 90 -5.195 -7.800 -12.265 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.340 -10.996 -6.477 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.272 -8.249 -6.188 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.177 -9.433 -8.235 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.315 -7.749 -7.770 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -3.214 -7.176 -8.669 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -2.608 -8.818 -8.580 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -2.935 -8.250 -10.899 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -4.112 -9.470 -10.455 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.869 -7.717 -10.269 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -4.695 -6.488 -10.693 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -5.961 -7.186 -12.608 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -4.327 -7.605 -12.804 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -5.466 -8.796 -12.394 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.825 -7.868 -4.364 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.762 -7.249 -3.422 1.00 44.30 C ATOM 1539 C LEU A 91 -6.396 -6.009 -4.072 1.00 43.45 C ATOM 1540 O LEU A 91 -5.715 -5.337 -4.846 1.00 4.52 O ATOM 1541 CB LEU A 91 -4.991 -6.790 -2.163 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.553 -7.913 -1.203 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.456 -7.434 -0.229 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -5.751 -8.470 -0.422 1.00 64.04 C ATOM 0 H LEU A 91 -3.861 -7.578 -4.202 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.532 -7.973 -3.155 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.104 -6.243 -2.482 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -5.617 -6.089 -1.611 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.134 -8.713 -1.814 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.173 -8.253 0.432 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.584 -7.107 -0.795 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -3.835 -6.603 0.365 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.413 -9.261 0.248 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.208 -7.671 0.162 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.484 -8.874 -1.120 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.653 -5.697 -3.710 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.347 -4.470 -4.118 1.00 34.04 C ATOM 1558 C VAL A 92 -9.276 -3.987 -2.982 1.00 1.21 C ATOM 1559 O VAL A 92 -9.946 -4.809 -2.358 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.209 -4.653 -5.409 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -9.929 -3.360 -5.857 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.403 -5.207 -6.600 1.00 51.23 C ATOM 0 H VAL A 92 -8.221 -6.302 -3.117 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.569 -3.737 -4.332 1.00 34.04 H new ATOM 0 HB VAL A 92 -9.961 -5.386 -5.117 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.508 -3.560 -6.758 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -10.596 -3.022 -5.064 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.191 -2.586 -6.065 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.058 -5.311 -7.465 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -7.591 -4.521 -6.840 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -7.990 -6.181 -6.338 1.00 51.23 H new ATOM 1572 N THR A 93 -9.335 -2.662 -2.774 1.00 62.12 N ATOM 1573 CA THR A 93 -10.214 -1.978 -1.818 1.00 15.25 C ATOM 1574 C THR A 93 -10.469 -0.523 -2.277 1.00 24.45 C ATOM 1575 O THR A 93 -9.753 -0.044 -3.155 1.00 31.45 O ATOM 1576 CB THR A 93 -9.600 -1.991 -0.385 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.467 -1.405 0.571 1.00 74.54 O ATOM 1578 CG2 THR A 93 -8.242 -1.276 -0.263 1.00 53.44 C ATOM 0 H THR A 93 -8.744 -2.011 -3.292 1.00 62.12 H new ATOM 0 HA THR A 93 -11.163 -2.513 -1.785 1.00 15.25 H new ATOM 0 HB THR A 93 -9.452 -3.053 -0.187 1.00 54.24 H new ATOM 0 HG1 THR A 93 -11.256 -1.975 0.690 1.00 74.54 H new ATOM 0 HG21 THR A 93 -7.891 -1.335 0.767 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.518 -1.756 -0.921 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.355 -0.230 -0.549 1.00 53.44 H new ATOM 1586 N THR A 94 -11.468 0.155 -1.685 1.00 1.14 N ATOM 1587 CA THR A 94 -11.745 1.575 -1.923 1.00 54.14 C ATOM 1588 C THR A 94 -12.127 2.275 -0.607 1.00 52.11 C ATOM 1589 O THR A 94 -13.031 1.811 0.081 1.00 1.32 O ATOM 1590 CB THR A 94 -12.885 1.797 -2.958 1.00 44.02 C ATOM 1591 OG1 THR A 94 -12.558 1.173 -4.186 1.00 73.45 O ATOM 1592 CG2 THR A 94 -13.201 3.273 -3.268 1.00 1.00 C ATOM 0 H THR A 94 -12.111 -0.276 -1.021 1.00 1.14 H new ATOM 0 HA THR A 94 -10.829 2.004 -2.330 1.00 54.14 H new ATOM 0 HB THR A 94 -13.767 1.362 -2.489 1.00 44.02 H new ATOM 0 HG1 THR A 94 -13.283 1.317 -4.830 1.00 73.45 H new ATOM 0 HG21 THR A 94 -14.008 3.327 -3.999 1.00 1.00 H new ATOM 0 HG22 THR A 94 -13.506 3.780 -2.353 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.313 3.758 -3.672 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.439 3.384 -0.297 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.593 4.167 0.930 1.00 32.54 C ATOM 1602 C PHE A 95 -11.464 5.664 0.615 1.00 11.00 C ATOM 1603 O PHE A 95 -10.456 6.068 0.051 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.567 3.695 1.992 1.00 13.41 C ATOM 1605 CG PHE A 95 -9.101 3.657 1.576 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.582 2.519 0.922 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.286 4.803 1.697 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -7.272 2.520 0.464 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -6.984 4.789 1.214 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.478 3.650 0.603 1.00 64.14 C ATOM 0 H PHE A 95 -10.733 3.772 -0.922 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.587 4.009 1.349 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.655 4.348 2.860 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.852 2.694 2.316 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -9.204 1.648 0.778 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.676 5.694 2.167 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.867 1.635 -0.004 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.363 5.667 1.314 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.463 3.643 0.234 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.468 6.475 0.994 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.493 7.942 0.831 1.00 2.14 C ATOM 1622 C LYS A 96 -12.386 8.400 -0.649 1.00 73.30 C ATOM 1623 O LYS A 96 -11.770 9.431 -0.921 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.408 8.630 1.710 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.297 8.084 3.146 1.00 52.21 C ATOM 1626 CD LYS A 96 -10.522 8.960 4.147 1.00 65.24 C ATOM 1627 CE LYS A 96 -9.189 9.534 3.633 1.00 44.02 C ATOM 1628 NZ LYS A 96 -9.358 10.893 3.090 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.314 6.116 1.437 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.474 8.264 1.179 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.441 8.521 1.219 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.623 9.698 1.758 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.304 7.930 3.533 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -10.819 7.105 3.105 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -11.162 9.789 4.449 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -10.322 8.369 5.041 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -8.463 9.554 4.446 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -8.784 8.880 2.860 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -8.848 10.972 2.187 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -10.369 11.082 2.935 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -8.976 11.586 3.765 1.00 40.12 H new ATOM 1642 N ASN A 97 -12.937 7.592 -1.575 1.00 34.43 N ATOM 1643 CA ASN A 97 -12.802 7.687 -3.040 1.00 42.31 C ATOM 1644 C ASN A 97 -11.404 7.287 -3.578 1.00 20.05 C ATOM 1645 O ASN A 97 -11.226 7.257 -4.795 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.241 9.081 -3.577 1.00 63.24 C ATOM 1647 CG ASN A 97 -13.761 9.072 -5.022 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -14.489 8.170 -5.431 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.397 10.092 -5.801 1.00 21.54 N ATOM 0 H ASN A 97 -13.526 6.805 -1.301 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.491 6.940 -3.434 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -14.020 9.478 -2.926 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -12.394 9.764 -3.513 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -13.724 10.139 -6.766 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -12.792 10.825 -5.432 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.455 6.945 -2.690 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.153 6.385 -3.042 1.00 11.54 C ATOM 1658 C ILE A 98 -9.338 4.866 -3.217 1.00 44.12 C ATOM 1659 O ILE A 98 -9.311 4.122 -2.236 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.051 6.625 -1.953 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -7.932 8.103 -1.517 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.669 6.086 -2.387 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.342 8.290 -0.112 1.00 25.24 C ATOM 0 H ILE A 98 -10.582 7.056 -1.684 1.00 51.10 H new ATOM 0 HA ILE A 98 -8.812 6.882 -3.950 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.387 6.056 -1.086 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.309 8.635 -2.236 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -8.920 8.562 -1.550 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -5.940 6.276 -1.599 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -6.737 5.013 -2.567 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.354 6.588 -3.302 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.290 9.353 0.122 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -7.976 7.788 0.619 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.340 7.862 -0.078 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.510 4.435 -4.476 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.347 3.036 -4.870 1.00 5.21 C ATOM 1677 C LYS A 99 -7.867 2.662 -4.710 1.00 52.23 C ATOM 1678 O LYS A 99 -7.016 3.484 -5.030 1.00 5.11 O ATOM 1679 CB LYS A 99 -9.871 2.841 -6.311 1.00 24.03 C ATOM 1680 CG LYS A 99 -9.950 1.373 -6.791 1.00 41.04 C ATOM 1681 CD LYS A 99 -8.703 0.816 -7.513 1.00 15.11 C ATOM 1682 CE LYS A 99 -8.422 1.419 -8.899 1.00 4.42 C ATOM 1683 NZ LYS A 99 -9.520 1.167 -9.849 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.766 5.051 -5.247 1.00 23.23 H new ATOM 0 HA LYS A 99 -9.931 2.369 -4.235 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -10.865 3.283 -6.382 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.226 3.395 -6.993 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -10.154 0.742 -5.926 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -10.803 1.279 -7.462 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -7.832 0.982 -6.879 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -8.817 -0.263 -7.621 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -8.268 2.494 -8.801 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -7.497 0.999 -9.295 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -9.238 1.486 -10.798 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -9.730 0.149 -9.874 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -10.367 1.688 -9.546 1.00 61.23 H new ATOM 1697 N SER A 100 -7.591 1.458 -4.203 1.00 12.14 N ATOM 1698 CA SER A 100 -6.244 0.938 -4.013 1.00 4.03 C ATOM 1699 C SER A 100 -6.192 -0.511 -4.498 1.00 14.30 C ATOM 1700 O SER A 100 -7.153 -1.257 -4.312 1.00 34.33 O ATOM 1701 CB SER A 100 -5.842 1.077 -2.532 1.00 31.31 C ATOM 1702 OG SER A 100 -4.514 0.646 -2.299 1.00 30.12 O ATOM 0 H SER A 100 -8.318 0.806 -3.908 1.00 12.14 H new ATOM 0 HA SER A 100 -5.525 1.510 -4.599 1.00 4.03 H new ATOM 0 HB2 SER A 100 -5.944 2.118 -2.225 1.00 31.31 H new ATOM 0 HB3 SER A 100 -6.526 0.494 -1.915 1.00 31.31 H new ATOM 0 HG SER A 100 -4.298 0.752 -1.349 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.053 -0.866 -5.103 1.00 15.43 N ATOM 1709 CA VAL A 101 -4.717 -2.203 -5.570 1.00 41.42 C ATOM 1710 C VAL A 101 -3.295 -2.509 -5.072 1.00 73.31 C ATOM 1711 O VAL A 101 -2.413 -1.667 -5.248 1.00 50.41 O ATOM 1712 CB VAL A 101 -4.712 -2.284 -7.127 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.322 -3.674 -7.679 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.059 -1.846 -7.732 1.00 33.25 C ATOM 0 H VAL A 101 -4.309 -0.192 -5.286 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.456 -2.911 -5.195 1.00 41.42 H new ATOM 0 HB VAL A 101 -3.935 -1.585 -7.436 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.341 -3.651 -8.769 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.319 -3.932 -7.339 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.030 -4.420 -7.319 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.010 -1.918 -8.819 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -6.853 -2.494 -7.360 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.268 -0.815 -7.446 1.00 33.25 H new ATOM 1724 N THR A 102 -3.087 -3.706 -4.499 1.00 24.33 N ATOM 1725 CA THR A 102 -1.752 -4.224 -4.192 1.00 33.12 C ATOM 1726 C THR A 102 -1.533 -5.502 -5.009 1.00 23.12 C ATOM 1727 O THR A 102 -2.332 -6.427 -4.889 1.00 43.43 O ATOM 1728 CB THR A 102 -1.536 -4.585 -2.698 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.012 -3.547 -1.864 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.053 -4.824 -2.364 1.00 31.04 C ATOM 0 H THR A 102 -3.843 -4.339 -4.237 1.00 24.33 H new ATOM 0 HA THR A 102 -1.049 -3.428 -4.438 1.00 33.12 H new ATOM 0 HB THR A 102 -2.090 -5.507 -2.521 1.00 41.33 H new ATOM 0 HG1 THR A 102 -1.583 -2.702 -2.116 1.00 45.21 H new ATOM 0 HG21 THR A 102 0.046 -5.073 -1.308 1.00 31.04 H new ATOM 0 HG22 THR A 102 0.328 -5.647 -2.969 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.518 -3.921 -2.579 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.470 -5.519 -5.824 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.163 -6.578 -6.775 1.00 44.25 C ATOM 1740 C GLU A 103 1.230 -7.152 -6.482 1.00 51.33 C ATOM 1741 O GLU A 103 2.238 -6.523 -6.802 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.330 -6.016 -8.201 1.00 1.24 C ATOM 1743 CG GLU A 103 0.034 -6.997 -9.335 1.00 23.53 C ATOM 1744 CD GLU A 103 -0.335 -6.471 -10.725 1.00 32.14 C ATOM 1745 OE1 GLU A 103 -0.424 -5.234 -10.885 1.00 13.35 O ATOM 1746 OE2 GLU A 103 -0.529 -7.329 -11.614 1.00 63.03 O1- ATOM 0 H GLU A 103 0.219 -4.767 -5.834 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.851 -7.418 -6.680 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.365 -5.701 -8.332 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.290 -5.125 -8.299 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.104 -7.200 -9.302 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.476 -7.945 -9.165 1.00 23.53 H new ATOM 1753 N LEU A 104 1.238 -8.350 -5.880 1.00 12.24 N ATOM 1754 CA LEU A 104 2.418 -9.173 -5.622 1.00 3.33 C ATOM 1755 C LEU A 104 2.944 -9.809 -6.922 1.00 4.31 C ATOM 1756 O LEU A 104 2.155 -10.131 -7.809 1.00 24.51 O ATOM 1757 CB LEU A 104 2.028 -10.197 -4.528 1.00 50.23 C ATOM 1758 CG LEU A 104 3.012 -11.346 -4.218 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.287 -10.854 -3.514 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.321 -12.430 -3.378 1.00 40.33 C ATOM 0 H LEU A 104 0.379 -8.788 -5.546 1.00 12.24 H new ATOM 0 HA LEU A 104 3.254 -8.577 -5.256 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.857 -9.647 -3.603 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.075 -10.643 -4.814 1.00 50.23 H new ATOM 0 HG LEU A 104 3.318 -11.772 -5.174 1.00 42.43 H new ATOM 0 HD11 LEU A 104 4.945 -11.701 -3.319 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.801 -10.135 -4.152 1.00 52.40 H new ATOM 0 HD13 LEU A 104 4.021 -10.377 -2.571 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.028 -13.233 -3.168 1.00 40.33 H new ATOM 0 HD22 LEU A 104 1.974 -11.997 -2.440 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.470 -12.830 -3.929 1.00 40.33 H new ATOM 1772 N ASN A 105 4.274 -9.973 -6.996 1.00 14.25 N ATOM 1773 CA ASN A 105 5.024 -10.506 -8.134 1.00 22.34 C ATOM 1774 C ASN A 105 6.333 -11.103 -7.588 1.00 31.52 C ATOM 1775 O ASN A 105 7.413 -10.567 -7.833 1.00 42.33 O ATOM 1776 CB ASN A 105 5.224 -9.386 -9.203 1.00 62.45 C ATOM 1777 CG ASN A 105 4.498 -9.660 -10.523 1.00 34.21 C ATOM 1778 OD1 ASN A 105 5.143 -9.866 -11.547 1.00 21.24 O ATOM 1779 ND2 ASN A 105 3.163 -9.655 -10.518 1.00 62.21 N ATOM 0 H ASN A 105 4.885 -9.722 -6.218 1.00 14.25 H new ATOM 0 HA ASN A 105 4.488 -11.303 -8.649 1.00 22.34 H new ATOM 0 HB2 ASN A 105 4.872 -8.439 -8.794 1.00 62.45 H new ATOM 0 HB3 ASN A 105 6.290 -9.271 -9.401 1.00 62.45 H new ATOM 0 HD21 ASN A 105 2.649 -9.826 -11.382 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.657 -9.480 -9.650 1.00 62.21 H new ATOM 1786 N GLY A 106 6.209 -12.217 -6.843 1.00 23.14 N ATOM 1787 CA GLY A 106 7.331 -12.967 -6.277 1.00 31.34 C ATOM 1788 C GLY A 106 7.987 -12.152 -5.156 1.00 2.33 C ATOM 1789 O GLY A 106 7.450 -12.070 -4.052 1.00 44.23 O ATOM 0 H GLY A 106 5.302 -12.625 -6.616 1.00 23.14 H new ATOM 0 HA2 GLY A 106 6.982 -13.923 -5.887 1.00 31.34 H new ATOM 0 HA3 GLY A 106 8.062 -13.188 -7.055 1.00 31.34 H new ATOM 1793 N ASP A 107 9.156 -11.570 -5.456 1.00 52.25 N ATOM 1794 CA ASP A 107 9.926 -10.685 -4.577 1.00 15.31 C ATOM 1795 C ASP A 107 9.535 -9.197 -4.716 1.00 53.11 C ATOM 1796 O ASP A 107 10.119 -8.377 -4.015 1.00 64.54 O ATOM 1797 CB ASP A 107 11.462 -10.846 -4.740 1.00 73.33 C ATOM 1798 CG ASP A 107 11.985 -12.287 -4.699 1.00 71.23 C ATOM 1799 OD1 ASP A 107 12.796 -12.562 -3.789 1.00 43.31 O ATOM 1800 OD2 ASP A 107 11.628 -13.068 -5.609 1.00 42.41 O1- ATOM 0 H ASP A 107 9.609 -11.711 -6.359 1.00 52.25 H new ATOM 0 HA ASP A 107 9.659 -11.009 -3.571 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.758 -10.398 -5.689 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.955 -10.277 -3.952 1.00 73.33 H new ATOM 1805 N ILE A 108 8.588 -8.855 -5.604 1.00 11.24 N ATOM 1806 CA ILE A 108 8.183 -7.475 -5.886 1.00 74.42 C ATOM 1807 C ILE A 108 6.743 -7.255 -5.382 1.00 20.20 C ATOM 1808 O ILE A 108 5.923 -8.166 -5.468 1.00 10.32 O ATOM 1809 CB ILE A 108 8.193 -7.187 -7.423 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.452 -7.724 -8.148 1.00 52.31 C ATOM 1811 CG2 ILE A 108 7.983 -5.693 -7.764 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.794 -7.215 -7.600 1.00 15.22 C ATOM 0 H ILE A 108 8.075 -9.544 -6.154 1.00 11.24 H new ATOM 0 HA ILE A 108 8.887 -6.811 -5.385 1.00 74.42 H new ATOM 0 HB ILE A 108 7.335 -7.744 -7.800 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.446 -8.813 -8.093 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.385 -7.458 -9.203 1.00 52.31 H new ATOM 0 HG21 ILE A 108 8.001 -5.561 -8.846 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.020 -5.362 -7.374 1.00 72.23 H new ATOM 0 HG23 ILE A 108 8.780 -5.101 -7.313 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.611 -7.650 -8.176 1.00 15.22 H new ATOM 0 HD12 ILE A 108 10.831 -6.129 -7.681 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.893 -7.505 -6.554 1.00 15.22 H new ATOM 1824 N ILE A 109 6.456 -6.035 -4.904 1.00 41.02 N ATOM 1825 CA ILE A 109 5.110 -5.546 -4.608 1.00 74.12 C ATOM 1826 C ILE A 109 4.920 -4.225 -5.365 1.00 72.34 C ATOM 1827 O ILE A 109 5.626 -3.260 -5.086 1.00 74.32 O ATOM 1828 CB ILE A 109 4.898 -5.257 -3.087 1.00 0.14 C ATOM 1829 CG1 ILE A 109 4.995 -6.528 -2.218 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.613 -4.461 -2.748 1.00 35.50 C ATOM 1831 CD1 ILE A 109 3.789 -7.473 -2.267 1.00 62.41 C ATOM 0 H ILE A 109 7.180 -5.344 -4.708 1.00 41.02 H new ATOM 0 HA ILE A 109 4.397 -6.314 -4.908 1.00 74.12 H new ATOM 0 HB ILE A 109 5.732 -4.603 -2.834 1.00 0.14 H new ATOM 0 HG12 ILE A 109 5.880 -7.086 -2.524 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.151 -6.225 -1.183 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.553 -4.309 -1.670 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.641 -3.494 -3.250 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.740 -5.019 -3.085 1.00 35.50 H new ATOM 0 HD11 ILE A 109 3.971 -8.329 -1.618 1.00 62.41 H new ATOM 0 HD12 ILE A 109 2.898 -6.944 -1.928 1.00 62.41 H new ATOM 0 HD13 ILE A 109 3.639 -7.818 -3.290 1.00 62.41 H new ATOM 1843 N THR A 110 3.925 -4.187 -6.261 1.00 52.21 N ATOM 1844 CA THR A 110 3.374 -2.940 -6.780 1.00 55.31 C ATOM 1845 C THR A 110 2.190 -2.541 -5.882 1.00 60.14 C ATOM 1846 O THR A 110 1.376 -3.400 -5.545 1.00 33.00 O ATOM 1847 CB THR A 110 2.863 -3.128 -8.234 1.00 23.34 C ATOM 1848 OG1 THR A 110 3.981 -3.285 -9.082 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.005 -1.984 -8.808 1.00 74.24 C ATOM 0 H THR A 110 3.483 -5.023 -6.643 1.00 52.21 H new ATOM 0 HA THR A 110 4.147 -2.172 -6.783 1.00 55.31 H new ATOM 0 HB THR A 110 2.210 -3.999 -8.192 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.677 -3.407 -10.006 1.00 43.22 H new ATOM 0 HG21 THR A 110 1.707 -2.229 -9.828 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.115 -1.852 -8.192 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.584 -1.061 -8.811 1.00 74.24 H new ATOM 1857 N ASN A 111 2.100 -1.248 -5.543 1.00 41.41 N ATOM 1858 CA ASN A 111 0.908 -0.623 -4.967 1.00 23.41 C ATOM 1859 C ASN A 111 0.496 0.482 -5.933 1.00 62.20 C ATOM 1860 O ASN A 111 1.312 1.340 -6.244 1.00 20.43 O ATOM 1861 CB ASN A 111 1.215 -0.033 -3.561 1.00 72.21 C ATOM 1862 CG ASN A 111 0.480 -0.744 -2.422 1.00 71.22 C ATOM 1863 OD1 ASN A 111 -0.849 -0.833 -2.510 1.00 2.22 O flip ATOM 1864 ND2 ASN A 111 1.099 -1.171 -1.450 1.00 23.45 N flip ATOM 0 H ASN A 111 2.874 -0.595 -5.666 1.00 41.41 H new ATOM 0 HA ASN A 111 0.109 -1.353 -4.834 1.00 23.41 H new ATOM 0 HB2 ASN A 111 2.288 -0.089 -3.380 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.945 1.023 -3.553 1.00 72.21 H new ATOM 0 HD21 ASN A 111 2.115 -1.087 -1.415 1.00 23.45 H new ATOM 0 HD22 ASN A 111 0.597 -1.610 -0.678 1.00 23.45 H new ATOM 1871 N THR A 112 -0.766 0.459 -6.367 1.00 33.00 N ATOM 1872 CA THR A 112 -1.366 1.505 -7.193 1.00 72.14 C ATOM 1873 C THR A 112 -2.599 2.042 -6.461 1.00 63.23 C ATOM 1874 O THR A 112 -3.313 1.259 -5.839 1.00 44.44 O ATOM 1875 CB THR A 112 -1.812 0.943 -8.570 1.00 60.33 C ATOM 1876 OG1 THR A 112 -0.688 0.370 -9.213 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.424 1.979 -9.531 1.00 12.21 C ATOM 0 H THR A 112 -1.410 -0.302 -6.149 1.00 33.00 H new ATOM 0 HA THR A 112 -0.629 2.290 -7.362 1.00 72.14 H new ATOM 0 HB THR A 112 -2.597 0.219 -8.350 1.00 60.33 H new ATOM 0 HG1 THR A 112 0.134 0.730 -8.818 1.00 13.12 H new ATOM 0 HG21 THR A 112 -2.703 1.489 -10.464 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.309 2.421 -9.074 1.00 12.21 H new ATOM 0 HG23 THR A 112 -1.693 2.761 -9.736 1.00 12.21 H new ATOM 1885 N MET A 113 -2.833 3.359 -6.547 1.00 11.55 N ATOM 1886 CA MET A 113 -4.040 4.007 -6.041 1.00 52.41 C ATOM 1887 C MET A 113 -4.618 4.943 -7.106 1.00 43.21 C ATOM 1888 O MET A 113 -3.871 5.446 -7.942 1.00 62.25 O ATOM 1889 CB MET A 113 -3.764 4.773 -4.729 1.00 24.04 C ATOM 1890 CG MET A 113 -3.195 3.928 -3.583 1.00 35.13 C ATOM 1891 SD MET A 113 -2.947 4.872 -2.055 1.00 42.04 S ATOM 1892 CE MET A 113 -2.301 3.565 -0.983 1.00 12.50 C ATOM 0 H MET A 113 -2.176 4.009 -6.978 1.00 11.55 H new ATOM 0 HA MET A 113 -4.773 3.232 -5.816 1.00 52.41 H new ATOM 0 HB2 MET A 113 -3.067 5.584 -4.941 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.694 5.232 -4.393 1.00 24.04 H new ATOM 0 HG2 MET A 113 -3.871 3.096 -3.383 1.00 35.13 H new ATOM 0 HG3 MET A 113 -2.243 3.498 -3.895 1.00 35.13 H new ATOM 0 HE1 MET A 113 -2.092 3.975 0.005 1.00 12.50 H new ATOM 0 HE2 MET A 113 -3.039 2.767 -0.897 1.00 12.50 H new ATOM 0 HE3 MET A 113 -1.382 3.164 -1.411 1.00 12.50 H new ATOM 1902 N THR A 114 -5.938 5.172 -7.043 1.00 70.23 N ATOM 1903 CA THR A 114 -6.656 6.098 -7.911 1.00 53.04 C ATOM 1904 C THR A 114 -7.683 6.883 -7.079 1.00 72.10 C ATOM 1905 O THR A 114 -8.633 6.287 -6.574 1.00 25.44 O ATOM 1906 CB THR A 114 -7.404 5.387 -9.071 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.503 4.593 -9.821 1.00 22.51 O ATOM 1908 CG2 THR A 114 -8.107 6.346 -10.049 1.00 60.41 C ATOM 0 H THR A 114 -6.544 4.704 -6.369 1.00 70.23 H new ATOM 0 HA THR A 114 -5.910 6.759 -8.353 1.00 53.04 H new ATOM 0 HB THR A 114 -8.171 4.784 -8.586 1.00 25.24 H new ATOM 0 HG1 THR A 114 -6.986 4.148 -10.549 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.605 5.770 -10.829 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.845 6.940 -9.509 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.370 7.008 -10.502 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.478 8.205 -6.980 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.416 9.157 -6.389 1.00 55.34 C ATOM 1918 C LEU A 115 -8.736 10.166 -7.497 1.00 64.34 C ATOM 1919 O LEU A 115 -7.902 11.022 -7.793 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.772 9.819 -5.143 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.750 10.497 -4.144 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -7.975 11.209 -3.015 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -9.772 11.460 -4.774 1.00 53.31 C ATOM 0 H LEU A 115 -6.626 8.650 -7.322 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.335 8.687 -6.038 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -7.206 9.059 -4.605 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -7.057 10.568 -5.484 1.00 4.13 H new ATOM 0 HG LEU A 115 -9.340 9.675 -3.739 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -8.681 11.676 -2.328 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -7.370 10.481 -2.474 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -7.327 11.973 -3.444 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -10.406 11.879 -3.993 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -9.245 12.266 -5.285 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -10.389 10.918 -5.490 1.00 53.31 H new ATOM 1935 N GLY A 116 -9.929 10.033 -8.101 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.364 10.865 -9.224 1.00 74.52 C ATOM 1937 C GLY A 116 -9.477 10.584 -10.446 1.00 34.22 C ATOM 1938 O GLY A 116 -9.384 9.440 -10.890 1.00 60.22 O ATOM 0 H GLY A 116 -10.620 9.338 -7.818 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.407 10.655 -9.463 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.305 11.919 -8.953 1.00 74.52 H new ATOM 1942 N ASP A 117 -8.838 11.642 -10.970 1.00 65.24 N ATOM 1943 CA ASP A 117 -7.904 11.585 -12.098 1.00 12.31 C ATOM 1944 C ASP A 117 -6.464 11.220 -11.658 1.00 24.33 C ATOM 1945 O ASP A 117 -5.695 10.751 -12.497 1.00 32.21 O ATOM 1946 CB ASP A 117 -7.920 12.930 -12.866 1.00 10.40 C ATOM 1947 CG ASP A 117 -7.237 12.903 -14.240 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -6.652 13.948 -14.595 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -7.395 11.885 -14.950 1.00 64.20 O1- ATOM 0 H ASP A 117 -8.963 12.587 -10.607 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.239 10.787 -12.761 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -8.956 13.243 -12.998 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -7.434 13.688 -12.251 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.107 11.436 -10.377 1.00 63.44 N ATOM 1955 CA ILE A 118 -4.759 11.183 -9.860 1.00 63.52 C ATOM 1956 C ILE A 118 -4.539 9.669 -9.683 1.00 62.02 C ATOM 1957 O ILE A 118 -5.202 9.067 -8.840 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.486 11.876 -8.488 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -4.754 13.401 -8.528 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.036 11.630 -8.014 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -6.187 13.801 -8.138 1.00 63.33 C ATOM 0 H ILE A 118 -6.753 11.793 -9.673 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.070 11.602 -10.593 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.183 11.425 -7.782 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -4.055 13.899 -7.856 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.547 13.768 -9.533 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -2.877 12.125 -7.056 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -2.867 10.559 -7.901 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.340 12.032 -8.750 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -6.290 14.885 -8.192 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -6.894 13.335 -8.824 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -6.394 13.467 -7.121 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.606 9.103 -10.467 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.248 7.686 -10.426 1.00 40.30 C ATOM 1975 C VAL A 119 -1.846 7.552 -9.801 1.00 12.04 C ATOM 1976 O VAL A 119 -0.842 7.510 -10.515 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.281 7.024 -11.835 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.895 5.527 -11.818 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.666 7.170 -12.490 1.00 31.10 C ATOM 0 H VAL A 119 -3.073 9.632 -11.157 1.00 14.52 H new ATOM 0 HA VAL A 119 -3.987 7.161 -9.821 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.532 7.558 -12.419 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.939 5.128 -12.832 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.883 5.417 -11.428 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.591 4.979 -11.182 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.656 6.697 -13.472 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.417 6.689 -11.864 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -4.907 8.227 -12.599 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.814 7.504 -8.460 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.621 7.233 -7.660 1.00 3.10 C ATOM 1991 C PHE A 120 -0.100 5.803 -7.856 1.00 33.01 C ATOM 1992 O PHE A 120 -0.892 4.887 -8.073 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.925 7.555 -6.188 1.00 54.44 C ATOM 1994 CG PHE A 120 0.194 7.317 -5.184 1.00 55.23 C ATOM 1995 CD1 PHE A 120 0.127 6.248 -4.267 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.358 8.110 -5.227 1.00 34.05 C ATOM 1997 CE1 PHE A 120 1.178 6.026 -3.385 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.408 7.855 -4.358 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.313 6.827 -3.431 1.00 21.32 C ATOM 0 H PHE A 120 -2.646 7.658 -7.890 1.00 54.22 H new ATOM 0 HA PHE A 120 0.189 7.878 -8.000 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.220 8.602 -6.124 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.787 6.962 -5.882 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -0.739 5.603 -4.250 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.433 8.919 -5.939 1.00 34.05 H new ATOM 0 HE1 PHE A 120 1.112 5.228 -2.661 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.303 8.458 -4.403 1.00 11.14 H new ATOM 0 HZ PHE A 120 3.125 6.648 -2.742 1.00 21.32 H new ATOM 2009 N LYS A 121 1.225 5.642 -7.762 1.00 52.41 N ATOM 2010 CA LYS A 121 1.885 4.351 -7.891 1.00 73.41 C ATOM 2011 C LYS A 121 3.087 4.282 -6.944 1.00 64.01 C ATOM 2012 O LYS A 121 3.662 5.307 -6.585 1.00 13.03 O ATOM 2013 CB LYS A 121 2.301 4.114 -9.361 1.00 1.55 C ATOM 2014 CG LYS A 121 1.965 2.703 -9.864 1.00 70.32 C ATOM 2015 CD LYS A 121 2.543 2.428 -11.264 1.00 62.43 C ATOM 2016 CE LYS A 121 1.718 1.438 -12.102 1.00 24.15 C ATOM 2017 NZ LYS A 121 1.509 0.155 -11.413 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.869 6.415 -7.593 1.00 52.41 H new ATOM 0 HA LYS A 121 1.193 3.557 -7.610 1.00 73.41 H new ATOM 0 HB2 LYS A 121 1.803 4.847 -9.996 1.00 1.55 H new ATOM 0 HB3 LYS A 121 3.373 4.282 -9.460 1.00 1.55 H new ATOM 0 HG2 LYS A 121 2.355 1.967 -9.161 1.00 70.32 H new ATOM 0 HG3 LYS A 121 0.883 2.577 -9.889 1.00 70.32 H new ATOM 0 HD2 LYS A 121 2.618 3.371 -11.806 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.556 2.040 -11.157 1.00 62.43 H new ATOM 0 HE2 LYS A 121 0.751 1.883 -12.336 1.00 24.15 H new ATOM 0 HE3 LYS A 121 2.225 1.259 -13.050 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 1.211 -0.565 -12.102 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 2.396 -0.145 -10.961 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 0.771 0.266 -10.688 1.00 62.52 H new ATOM 2031 N ARG A 122 3.443 3.042 -6.599 1.00 1.23 N ATOM 2032 CA ARG A 122 4.643 2.630 -5.892 1.00 45.20 C ATOM 2033 C ARG A 122 5.084 1.278 -6.450 1.00 21.25 C ATOM 2034 O ARG A 122 4.250 0.453 -6.824 1.00 54.25 O ATOM 2035 CB ARG A 122 4.416 2.507 -4.369 1.00 32.24 C ATOM 2036 CG ARG A 122 4.010 3.817 -3.682 1.00 3.01 C ATOM 2037 CD ARG A 122 4.090 3.764 -2.151 1.00 11.54 C ATOM 2038 NE ARG A 122 3.051 2.910 -1.558 1.00 34.20 N ATOM 2039 CZ ARG A 122 2.726 2.892 -0.254 1.00 63.42 C ATOM 2040 NH1 ARG A 122 3.294 3.742 0.613 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 1.822 2.007 0.187 1.00 34.12 N ATOM 0 H ARG A 122 2.850 2.244 -6.827 1.00 1.23 H new ATOM 0 HA ARG A 122 5.408 3.391 -6.042 1.00 45.20 H new ATOM 0 HB2 ARG A 122 3.642 1.761 -4.188 1.00 32.24 H new ATOM 0 HB3 ARG A 122 5.331 2.136 -3.906 1.00 32.24 H new ATOM 0 HG2 ARG A 122 4.653 4.620 -4.043 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.991 4.069 -3.975 1.00 3.01 H new ATOM 0 HD2 ARG A 122 5.072 3.394 -1.855 1.00 11.54 H new ATOM 0 HD3 ARG A 122 3.997 4.774 -1.751 1.00 11.54 H new ATOM 0 HE ARG A 122 2.539 2.286 -2.182 1.00 34.20 H new ATOM 0 HH11 ARG A 122 3.985 4.417 0.287 1.00 43.43 H new ATOM 0 HH12 ARG A 122 3.035 3.714 1.599 1.00 43.43 H new ATOM 0 HH21 ARG A 122 1.387 1.354 -0.465 1.00 34.12 H new ATOM 0 HH22 ARG A 122 1.569 1.986 1.175 1.00 34.12 H new ATOM 2055 N ILE A 123 6.404 1.075 -6.435 1.00 44.02 N ATOM 2056 CA ILE A 123 7.050 -0.210 -6.633 1.00 1.53 C ATOM 2057 C ILE A 123 7.961 -0.395 -5.411 1.00 42.14 C ATOM 2058 O ILE A 123 8.730 0.509 -5.086 1.00 11.14 O ATOM 2059 CB ILE A 123 7.925 -0.264 -7.924 1.00 33.44 C ATOM 2060 CG1 ILE A 123 7.106 0.055 -9.202 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.604 -1.644 -8.092 1.00 11.42 C ATOM 2062 CD1 ILE A 123 6.875 1.554 -9.468 1.00 61.45 C ATOM 0 H ILE A 123 7.069 1.832 -6.279 1.00 44.02 H new ATOM 0 HA ILE A 123 6.295 -0.988 -6.745 1.00 1.53 H new ATOM 0 HB ILE A 123 8.690 0.503 -7.800 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.619 -0.377 -10.062 1.00 44.22 H new ATOM 0 HG13 ILE A 123 6.137 -0.439 -9.128 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.205 -1.645 -9.001 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.245 -1.841 -7.233 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.841 -2.419 -8.161 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.294 1.676 -10.382 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.331 1.993 -8.631 1.00 61.45 H new ATOM 0 HD13 ILE A 123 7.836 2.056 -9.579 1.00 61.45 H new ATOM 2074 N SER A 124 7.836 -1.555 -4.761 1.00 22.23 N ATOM 2075 CA SER A 124 8.624 -1.983 -3.611 1.00 32.50 C ATOM 2076 C SER A 124 9.194 -3.380 -3.913 1.00 25.54 C ATOM 2077 O SER A 124 8.608 -4.115 -4.709 1.00 1.51 O ATOM 2078 CB SER A 124 7.723 -2.003 -2.359 1.00 13.10 C ATOM 2079 OG SER A 124 7.324 -0.699 -1.988 1.00 34.43 O ATOM 0 H SER A 124 7.147 -2.253 -5.040 1.00 22.23 H new ATOM 0 HA SER A 124 9.449 -1.296 -3.421 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.841 -2.613 -2.554 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.258 -2.470 -1.532 1.00 13.10 H new ATOM 0 HG SER A 124 6.753 -0.745 -1.193 1.00 34.43 H new ATOM 2085 N LYS A 125 10.329 -3.727 -3.287 1.00 24.13 N ATOM 2086 CA LYS A 125 11.038 -4.986 -3.529 1.00 34.33 C ATOM 2087 C LYS A 125 11.610 -5.534 -2.217 1.00 1.52 C ATOM 2088 O LYS A 125 12.040 -4.755 -1.366 1.00 34.02 O ATOM 2089 CB LYS A 125 12.100 -4.772 -4.631 1.00 65.50 C ATOM 2090 CG LYS A 125 12.835 -6.037 -5.112 1.00 71.15 C ATOM 2091 CD LYS A 125 14.160 -6.325 -4.389 1.00 22.53 C ATOM 2092 CE LYS A 125 14.729 -7.699 -4.769 1.00 0.14 C ATOM 2093 NZ LYS A 125 15.969 -7.981 -4.030 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.782 -3.133 -2.592 1.00 24.13 H new ATOM 0 HA LYS A 125 10.351 -5.749 -3.896 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.616 -4.308 -5.490 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.841 -4.063 -4.262 1.00 65.50 H new ATOM 0 HG2 LYS A 125 12.174 -6.895 -4.986 1.00 71.15 H new ATOM 0 HG3 LYS A 125 13.033 -5.942 -6.180 1.00 71.15 H new ATOM 0 HD2 LYS A 125 14.885 -5.550 -4.637 1.00 22.53 H new ATOM 0 HD3 LYS A 125 14.003 -6.282 -3.311 1.00 22.53 H new ATOM 0 HE2 LYS A 125 13.991 -8.473 -4.557 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.925 -7.731 -5.841 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 16.332 -8.916 -4.306 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 16.679 -7.254 -4.253 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 15.774 -7.973 -3.009 1.00 21.45 H new ATOM 2107 N ARG A 126 11.583 -6.874 -2.097 1.00 63.52 N ATOM 2108 CA ARG A 126 11.821 -7.652 -0.883 1.00 41.42 C ATOM 2109 C ARG A 126 13.174 -7.376 -0.207 1.00 12.11 C ATOM 2110 O ARG A 126 14.209 -7.391 -0.875 1.00 24.21 O ATOM 2111 CB ARG A 126 11.652 -9.159 -1.184 1.00 33.20 C ATOM 2112 CG ARG A 126 11.569 -10.060 0.065 1.00 73.33 C ATOM 2113 CD ARG A 126 11.692 -11.558 -0.252 1.00 13.21 C ATOM 2114 NE ARG A 126 10.555 -12.072 -1.028 1.00 42.13 N ATOM 2115 CZ ARG A 126 10.502 -13.290 -1.595 1.00 14.43 C ATOM 2116 NH1 ARG A 126 11.499 -14.176 -1.447 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 9.434 -13.629 -2.325 1.00 4.03 N ATOM 0 H ARG A 126 11.381 -7.472 -2.898 1.00 63.52 H new ATOM 0 HA ARG A 126 11.072 -7.328 -0.161 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.748 -9.298 -1.776 1.00 33.20 H new ATOM 0 HB3 ARG A 126 12.490 -9.489 -1.798 1.00 33.20 H new ATOM 0 HG2 ARG A 126 12.359 -9.778 0.760 1.00 73.33 H new ATOM 0 HG3 ARG A 126 10.620 -9.880 0.571 1.00 73.33 H new ATOM 0 HD2 ARG A 126 12.613 -11.732 -0.808 1.00 13.21 H new ATOM 0 HD3 ARG A 126 11.771 -12.117 0.681 1.00 13.21 H new ATOM 0 HE ARG A 126 9.747 -11.460 -1.145 1.00 42.13 H new ATOM 0 HH11 ARG A 126 12.321 -13.932 -0.894 1.00 70.12 H new ATOM 0 HH12 ARG A 126 11.435 -15.094 -1.887 1.00 70.12 H new ATOM 0 HH21 ARG A 126 8.669 -12.966 -2.448 1.00 4.03 H new ATOM 0 HH22 ARG A 126 9.385 -14.551 -2.759 1.00 4.03 H new ATOM 2131 N ILE A 127 13.116 -7.181 1.120 1.00 50.12 N ATOM 2132 CA ILE A 127 14.266 -7.029 2.020 1.00 3.32 C ATOM 2133 C ILE A 127 14.071 -8.017 3.166 1.00 21.41 C ATOM 2134 O ILE A 127 13.083 -8.739 3.330 1.00 22.53 O ATOM 2135 CB ILE A 127 14.437 -5.559 2.518 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.246 -5.023 3.356 1.00 43.04 C ATOM 2137 CG2 ILE A 127 14.764 -4.607 1.350 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.510 -3.687 4.065 1.00 0.24 C ATOM 0 H ILE A 127 12.226 -7.123 1.615 1.00 50.12 H new ATOM 0 HA ILE A 127 15.193 -7.249 1.491 1.00 3.32 H new ATOM 0 HB ILE A 127 15.285 -5.586 3.202 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.382 -4.907 2.702 1.00 43.04 H new ATOM 0 HG13 ILE A 127 12.981 -5.770 4.104 1.00 43.04 H new ATOM 0 HG21 ILE A 127 14.877 -3.591 1.729 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.692 -4.922 0.873 1.00 2.02 H new ATOM 0 HG23 ILE A 127 13.954 -4.634 0.621 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.623 -3.391 4.625 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.351 -3.798 4.749 1.00 0.24 H new ATOM 0 HD13 ILE A 127 13.743 -2.922 3.324 1.00 0.24 H new