USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 57 MET CE :methyl -144:sc= -0.527 (180deg=-2.01!) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.64 K(o=-3.2,f=-7.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 50:sc= -0.577 USER MOD Single : A 16 THR OG1 : rot -125:sc= -0.718 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 28 GLN : amide:sc= -7.9! C(o=-7.9!,f=-13!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 65:sc= -0.415 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00696 X(o=-0.007,f=-0.025) USER MOD Single : A 48 SER OG : rot 130:sc= -0.0192 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 51 ASN : amide:sc= -0.699 X(o=-0.7,f=-0.42) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -5.35! C(o=-6.1!,f=-5.4!) USER MOD Single : A 75 ASN : amide:sc=-0.00824 K(o=-0.0082,f=-1.2) USER MOD Single : A 76 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-3.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 31:sc= -4.45! USER MOD Single : A 81 TYR OH : rot 119:sc= 0.483 USER MOD Single : A 90 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.33) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 94 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.47) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 10.255 -6.944 -4.150 1.00 0.00 N ATOM 104 CA GLY A 10 9.447 -7.196 -2.969 1.00 0.00 C ATOM 105 C GLY A 10 8.527 -6.010 -2.671 1.00 0.00 C ATOM 106 O GLY A 10 8.773 -5.250 -1.736 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.850 -8.096 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.096 -7.382 -2.113 1.00 0.00 H new ATOM 110 N LEU A 11 7.487 -5.890 -3.483 1.00 0.00 N ATOM 111 CA LEU A 11 6.530 -4.809 -3.317 1.00 0.00 C ATOM 112 C LEU A 11 5.636 -5.106 -2.112 1.00 0.00 C ATOM 113 O LEU A 11 5.076 -6.196 -2.003 1.00 0.00 O ATOM 114 CB LEU A 11 5.755 -4.577 -4.616 1.00 0.00 C ATOM 115 CG LEU A 11 5.824 -3.162 -5.194 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.130 -2.158 -4.272 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.270 -2.762 -5.492 1.00 0.00 C ATOM 0 H LEU A 11 7.286 -6.523 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 11 7.045 -3.872 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.127 -5.274 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.708 -4.826 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 11 5.285 -3.154 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.194 -1.160 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.083 -2.436 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.618 -2.161 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.291 -1.752 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.853 -2.792 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.698 -3.456 -6.215 1.00 0.00 H new ATOM 129 N ARG A 12 5.530 -4.117 -1.236 1.00 0.00 N ATOM 130 CA ARG A 12 4.713 -4.258 -0.043 1.00 0.00 C ATOM 131 C ARG A 12 3.821 -3.029 0.138 1.00 0.00 C ATOM 132 O ARG A 12 4.302 -1.897 0.102 1.00 0.00 O ATOM 133 CB ARG A 12 5.584 -4.436 1.202 1.00 0.00 C ATOM 134 CG ARG A 12 6.444 -5.696 1.094 1.00 0.00 C ATOM 135 CD ARG A 12 6.611 -6.365 2.460 1.00 0.00 C ATOM 136 NE ARG A 12 8.049 -6.489 2.791 1.00 0.00 N ATOM 137 CZ ARG A 12 8.542 -7.357 3.685 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.716 -8.182 4.343 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.860 -7.400 3.921 1.00 0.00 N ATOM 0 H ARG A 12 5.997 -3.215 -1.329 1.00 0.00 H new ATOM 0 HA ARG A 12 4.093 -5.145 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.225 -3.564 1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.951 -4.498 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.984 -6.396 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.423 -5.439 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.102 -5.779 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.145 -7.350 2.451 1.00 0.00 H new ATOM 0 HE ARG A 12 8.705 -5.875 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.713 -8.149 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.091 -8.843 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.489 -6.772 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.235 -8.061 4.602 1.00 0.00 H new ATOM 153 N VAL A 13 2.536 -3.293 0.330 1.00 0.00 N ATOM 154 CA VAL A 13 1.572 -2.222 0.517 1.00 0.00 C ATOM 155 C VAL A 13 1.045 -2.261 1.952 1.00 0.00 C ATOM 156 O VAL A 13 0.150 -3.044 2.267 1.00 0.00 O ATOM 157 CB VAL A 13 0.462 -2.328 -0.531 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.768 -1.521 -0.111 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.964 -1.885 -1.907 1.00 0.00 C ATOM 0 H VAL A 13 2.141 -4.233 0.360 1.00 0.00 H new ATOM 0 HA VAL A 13 2.046 -1.251 0.371 1.00 0.00 H new ATOM 0 HB VAL A 13 0.167 -3.375 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.542 -1.614 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.146 -1.902 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.494 -0.472 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.156 -1.970 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.299 -0.849 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.795 -2.520 -2.213 1.00 0.00 H new ATOM 169 N TYR A 14 1.621 -1.407 2.785 1.00 0.00 N ATOM 170 CA TYR A 14 1.220 -1.334 4.179 1.00 0.00 C ATOM 171 C TYR A 14 -0.164 -0.697 4.319 1.00 0.00 C ATOM 172 O TYR A 14 -0.295 0.525 4.289 1.00 0.00 O ATOM 173 CB TYR A 14 2.252 -0.439 4.869 1.00 0.00 C ATOM 174 CG TYR A 14 3.574 -1.142 5.184 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.459 -1.437 4.166 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.882 -1.483 6.485 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.703 -2.098 4.462 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.126 -2.144 6.781 1.00 0.00 C ATOM 179 CZ TYR A 14 5.975 -2.419 5.755 1.00 0.00 C ATOM 180 OH TYR A 14 7.150 -3.044 6.035 1.00 0.00 O ATOM 0 H TYR A 14 2.363 -0.759 2.521 1.00 0.00 H new ATOM 0 HA TYR A 14 1.172 -2.331 4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.453 0.423 4.233 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.825 -0.058 5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.218 -1.172 3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.190 -1.254 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.404 -2.334 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.379 -2.415 7.795 1.00 0.00 H new ATOM 0 HH TYR A 14 7.210 -3.211 6.999 1.00 0.00 H new ATOM 190 N SER A 15 -1.162 -1.555 4.470 1.00 0.00 N ATOM 191 CA SER A 15 -2.532 -1.092 4.616 1.00 0.00 C ATOM 192 C SER A 15 -3.107 -1.571 5.950 1.00 0.00 C ATOM 193 O SER A 15 -2.564 -2.480 6.574 1.00 0.00 O ATOM 194 CB SER A 15 -3.403 -1.579 3.456 1.00 0.00 C ATOM 195 OG SER A 15 -2.971 -2.842 2.957 1.00 0.00 O ATOM 0 H SER A 15 -1.050 -2.568 4.494 1.00 0.00 H new ATOM 0 HA SER A 15 -2.529 -0.002 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.439 -1.655 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.379 -0.844 2.651 1.00 0.00 H new ATOM 0 HG SER A 15 -2.861 -3.468 3.703 1.00 0.00 H new ATOM 201 N THR A 16 -4.200 -0.936 6.348 1.00 0.00 N ATOM 202 CA THR A 16 -4.855 -1.285 7.597 1.00 0.00 C ATOM 203 C THR A 16 -6.326 -1.628 7.350 1.00 0.00 C ATOM 204 O THR A 16 -6.909 -1.198 6.356 1.00 0.00 O ATOM 205 CB THR A 16 -4.658 -0.125 8.575 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.363 -0.533 9.744 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.383 1.147 8.129 1.00 0.00 C ATOM 0 H THR A 16 -4.648 -0.182 5.827 1.00 0.00 H new ATOM 0 HA THR A 16 -4.414 -2.179 8.038 1.00 0.00 H new ATOM 0 HB THR A 16 -3.593 0.082 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.012 0.158 9.993 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.210 1.939 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.003 1.460 7.156 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.452 0.949 8.054 1.00 0.00 H new ATOM 215 N SER A 17 -6.883 -2.401 8.271 1.00 0.00 N ATOM 216 CA SER A 17 -8.274 -2.807 8.166 1.00 0.00 C ATOM 217 C SER A 17 -9.147 -1.918 9.053 1.00 0.00 C ATOM 218 O SER A 17 -10.264 -1.566 8.678 1.00 0.00 O ATOM 219 CB SER A 17 -8.449 -4.277 8.551 1.00 0.00 C ATOM 220 OG SER A 17 -8.578 -5.117 7.408 1.00 0.00 O ATOM 0 H SER A 17 -6.396 -2.757 9.093 1.00 0.00 H new ATOM 0 HA SER A 17 -8.587 -2.692 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.593 -4.601 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.332 -4.384 9.181 1.00 0.00 H new ATOM 0 HG SER A 17 -8.686 -6.047 7.696 1.00 0.00 H new ATOM 226 N VAL A 18 -8.605 -1.579 10.214 1.00 0.00 N ATOM 227 CA VAL A 18 -9.320 -0.738 11.158 1.00 0.00 C ATOM 228 C VAL A 18 -8.629 0.624 11.246 1.00 0.00 C ATOM 229 O VAL A 18 -7.404 0.699 11.314 1.00 0.00 O ATOM 230 CB VAL A 18 -9.426 -1.443 12.512 1.00 0.00 C ATOM 231 CG1 VAL A 18 -8.201 -1.150 13.380 1.00 0.00 C ATOM 232 CG2 VAL A 18 -10.717 -1.052 13.234 1.00 0.00 C ATOM 0 H VAL A 18 -7.678 -1.872 10.522 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.340 -0.564 10.817 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.457 -2.517 12.329 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.302 -1.663 14.337 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.303 -1.502 12.872 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.124 -0.076 13.550 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.768 -1.567 14.193 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.730 0.025 13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.575 -1.336 12.624 1.00 0.00 H new ATOM 242 N THR A 19 -9.446 1.668 11.241 1.00 0.00 N ATOM 243 CA THR A 19 -8.929 3.023 11.320 1.00 0.00 C ATOM 244 C THR A 19 -10.079 4.032 11.356 1.00 0.00 C ATOM 245 O THR A 19 -10.068 4.962 12.160 1.00 0.00 O ATOM 246 CB THR A 19 -7.973 3.233 10.144 1.00 0.00 C ATOM 247 OG1 THR A 19 -7.724 4.636 10.145 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.642 2.975 8.792 1.00 0.00 C ATOM 0 H THR A 19 -10.462 1.602 11.183 1.00 0.00 H new ATOM 0 HA THR A 19 -8.372 3.180 12.243 1.00 0.00 H new ATOM 0 HB THR A 19 -7.112 2.574 10.255 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.111 4.860 9.414 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.920 3.138 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.000 1.946 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.483 3.657 8.666 1.00 0.00 H new ATOM 256 N GLY A 20 -11.044 3.812 10.475 1.00 0.00 N ATOM 257 CA GLY A 20 -12.199 4.690 10.395 1.00 0.00 C ATOM 258 C GLY A 20 -12.028 5.722 9.278 1.00 0.00 C ATOM 259 O GLY A 20 -12.911 5.883 8.437 1.00 0.00 O ATOM 0 H GLY A 20 -11.050 3.038 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.097 4.099 10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.339 5.200 11.348 1.00 0.00 H new ATOM 263 N SER A 21 -10.886 6.393 9.306 1.00 0.00 N ATOM 264 CA SER A 21 -10.588 7.404 8.307 1.00 0.00 C ATOM 265 C SER A 21 -10.845 6.847 6.905 1.00 0.00 C ATOM 266 O SER A 21 -10.164 5.921 6.467 1.00 0.00 O ATOM 267 CB SER A 21 -9.142 7.889 8.428 1.00 0.00 C ATOM 268 OG SER A 21 -9.053 9.311 8.422 1.00 0.00 O ATOM 0 H SER A 21 -10.156 6.256 10.005 1.00 0.00 H new ATOM 0 HA SER A 21 -11.245 8.257 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.706 7.503 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.554 7.486 7.603 1.00 0.00 H new ATOM 0 HG SER A 21 -8.114 9.580 8.503 1.00 0.00 H new ATOM 274 N ARG A 22 -11.830 7.434 6.241 1.00 0.00 N ATOM 275 CA ARG A 22 -12.186 7.008 4.898 1.00 0.00 C ATOM 276 C ARG A 22 -11.061 7.347 3.918 1.00 0.00 C ATOM 277 O ARG A 22 -10.651 6.504 3.122 1.00 0.00 O ATOM 278 CB ARG A 22 -13.479 7.678 4.432 1.00 0.00 C ATOM 279 CG ARG A 22 -14.350 6.700 3.641 1.00 0.00 C ATOM 280 CD ARG A 22 -14.857 7.341 2.347 1.00 0.00 C ATOM 281 NE ARG A 22 -14.987 6.313 1.290 1.00 0.00 N ATOM 282 CZ ARG A 22 -15.381 6.572 0.036 1.00 0.00 C ATOM 283 NH1 ARG A 22 -15.685 7.825 -0.326 1.00 0.00 N ATOM 284 NH2 ARG A 22 -15.470 5.576 -0.857 1.00 0.00 N ATOM 0 H ARG A 22 -12.393 8.201 6.608 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.338 5.929 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.033 8.047 5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.242 8.542 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.776 5.804 3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.197 6.386 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.821 7.819 2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.168 8.122 2.024 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.763 5.348 1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.617 8.583 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.985 8.021 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.238 4.622 -0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.770 5.772 -1.812 1.00 0.00 H new ATOM 298 N GLU A 23 -10.594 8.584 4.009 1.00 0.00 N ATOM 299 CA GLU A 23 -9.525 9.046 3.140 1.00 0.00 C ATOM 300 C GLU A 23 -8.399 8.011 3.088 1.00 0.00 C ATOM 301 O GLU A 23 -7.915 7.669 2.010 1.00 0.00 O ATOM 302 CB GLU A 23 -8.997 10.407 3.596 1.00 0.00 C ATOM 303 CG GLU A 23 -9.764 11.546 2.922 1.00 0.00 C ATOM 304 CD GLU A 23 -10.644 12.288 3.931 1.00 0.00 C ATOM 305 OE1 GLU A 23 -10.106 12.635 5.005 1.00 0.00 O ATOM 306 OE2 GLU A 23 -11.833 12.490 3.606 1.00 0.00 O ATOM 0 H GLU A 23 -10.936 9.280 4.671 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.928 9.168 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.089 10.493 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.936 10.488 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.061 12.243 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.383 11.147 2.119 1.00 0.00 H new ATOM 313 N ILE A 24 -8.016 7.540 4.265 1.00 0.00 N ATOM 314 CA ILE A 24 -6.956 6.551 4.367 1.00 0.00 C ATOM 315 C ILE A 24 -7.364 5.292 3.599 1.00 0.00 C ATOM 316 O ILE A 24 -6.705 4.910 2.634 1.00 0.00 O ATOM 317 CB ILE A 24 -6.606 6.290 5.834 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.173 7.581 6.532 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.551 5.189 5.958 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.646 7.293 7.939 1.00 0.00 C ATOM 0 H ILE A 24 -8.421 7.825 5.157 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.041 6.924 3.906 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.503 5.935 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.399 8.075 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.017 8.268 6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.320 5.023 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.934 4.267 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.646 5.491 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.345 8.227 8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.430 6.821 8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.787 6.625 7.876 1.00 0.00 H new ATOM 332 N LYS A 25 -8.448 4.684 4.057 1.00 0.00 N ATOM 333 CA LYS A 25 -8.951 3.476 3.424 1.00 0.00 C ATOM 334 C LYS A 25 -8.949 3.662 1.906 1.00 0.00 C ATOM 335 O LYS A 25 -8.300 2.905 1.185 1.00 0.00 O ATOM 336 CB LYS A 25 -10.320 3.103 3.996 1.00 0.00 C ATOM 337 CG LYS A 25 -10.179 2.119 5.160 1.00 0.00 C ATOM 338 CD LYS A 25 -11.501 1.400 5.433 1.00 0.00 C ATOM 339 CE LYS A 25 -12.407 2.241 6.334 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.518 1.627 7.676 1.00 0.00 N ATOM 0 H LYS A 25 -8.992 5.005 4.858 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.298 2.631 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.833 4.002 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.937 2.660 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.404 1.388 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.859 2.652 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.009 1.195 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.305 0.438 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.006 3.251 6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.396 2.329 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.136 2.211 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.921 0.672 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.574 1.566 8.109 1.00 0.00 H new ATOM 354 N SER A 26 -9.682 4.673 1.464 1.00 0.00 N ATOM 355 CA SER A 26 -9.773 4.968 0.044 1.00 0.00 C ATOM 356 C SER A 26 -8.394 4.841 -0.606 1.00 0.00 C ATOM 357 O SER A 26 -8.208 4.046 -1.526 1.00 0.00 O ATOM 358 CB SER A 26 -10.344 6.367 -0.193 1.00 0.00 C ATOM 359 OG SER A 26 -11.585 6.326 -0.893 1.00 0.00 O ATOM 0 H SER A 26 -10.219 5.299 2.065 1.00 0.00 H new ATOM 0 HA SER A 26 -10.451 4.247 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.484 6.868 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.627 6.960 -0.761 1.00 0.00 H new ATOM 0 HG SER A 26 -11.917 7.239 -1.023 1.00 0.00 H new ATOM 365 N GLN A 27 -7.461 5.635 -0.101 1.00 0.00 N ATOM 366 CA GLN A 27 -6.105 5.622 -0.621 1.00 0.00 C ATOM 367 C GLN A 27 -5.595 4.184 -0.736 1.00 0.00 C ATOM 368 O GLN A 27 -4.952 3.826 -1.722 1.00 0.00 O ATOM 369 CB GLN A 27 -5.174 6.465 0.253 1.00 0.00 C ATOM 370 CG GLN A 27 -5.416 7.959 0.028 1.00 0.00 C ATOM 371 CD GLN A 27 -4.915 8.780 1.218 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.086 8.346 2.001 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.464 9.988 1.311 1.00 0.00 N ATOM 0 H GLN A 27 -7.618 6.292 0.663 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.114 6.065 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.335 6.221 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.136 6.222 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.907 8.281 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.480 8.140 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.153 10.290 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.196 10.613 2.072 1.00 0.00 H new ATOM 382 N GLN A 28 -5.901 3.397 0.285 1.00 0.00 N ATOM 383 CA GLN A 28 -5.482 2.006 0.311 1.00 0.00 C ATOM 384 C GLN A 28 -6.139 1.233 -0.834 1.00 0.00 C ATOM 385 O GLN A 28 -5.457 0.554 -1.601 1.00 0.00 O ATOM 386 CB GLN A 28 -5.801 1.362 1.661 1.00 0.00 C ATOM 387 CG GLN A 28 -5.182 2.161 2.810 1.00 0.00 C ATOM 388 CD GLN A 28 -5.939 1.918 4.117 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.293 2.835 4.839 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.165 0.634 4.381 1.00 0.00 N ATOM 0 H GLN A 28 -6.435 3.697 1.101 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.401 1.970 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.881 1.304 1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.423 0.340 1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.137 1.878 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.198 3.224 2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.841 -0.084 3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.662 0.368 5.231 1.00 0.00 H new ATOM 399 N SER A 29 -7.455 1.361 -0.914 1.00 0.00 N ATOM 400 CA SER A 29 -8.211 0.683 -1.953 1.00 0.00 C ATOM 401 C SER A 29 -7.703 1.107 -3.332 1.00 0.00 C ATOM 402 O SER A 29 -7.504 0.268 -4.210 1.00 0.00 O ATOM 403 CB SER A 29 -9.708 0.975 -1.825 1.00 0.00 C ATOM 404 OG SER A 29 -10.438 -0.164 -1.380 1.00 0.00 O ATOM 0 H SER A 29 -8.017 1.924 -0.276 1.00 0.00 H new ATOM 0 HA SER A 29 -8.067 -0.391 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.858 1.798 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.097 1.301 -2.789 1.00 0.00 H new ATOM 0 HG SER A 29 -11.389 0.064 -1.310 1.00 0.00 H new ATOM 410 N GLU A 30 -7.508 2.409 -3.481 1.00 0.00 N ATOM 411 CA GLU A 30 -7.027 2.955 -4.738 1.00 0.00 C ATOM 412 C GLU A 30 -5.675 2.338 -5.102 1.00 0.00 C ATOM 413 O GLU A 30 -5.554 1.653 -6.116 1.00 0.00 O ATOM 414 CB GLU A 30 -6.934 4.481 -4.674 1.00 0.00 C ATOM 415 CG GLU A 30 -8.095 5.133 -5.427 1.00 0.00 C ATOM 416 CD GLU A 30 -7.783 6.596 -5.754 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.734 6.823 -6.393 1.00 0.00 O ATOM 418 OE2 GLU A 30 -8.602 7.452 -5.357 1.00 0.00 O ATOM 0 H GLU A 30 -7.675 3.102 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.743 2.700 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.942 4.806 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.987 4.810 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.290 4.584 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.002 5.076 -4.825 1.00 0.00 H new ATOM 425 N VAL A 31 -4.692 2.604 -4.255 1.00 0.00 N ATOM 426 CA VAL A 31 -3.353 2.084 -4.475 1.00 0.00 C ATOM 427 C VAL A 31 -3.447 0.645 -4.986 1.00 0.00 C ATOM 428 O VAL A 31 -2.955 0.335 -6.070 1.00 0.00 O ATOM 429 CB VAL A 31 -2.526 2.209 -3.193 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.234 1.395 -3.293 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.227 3.676 -2.875 1.00 0.00 C ATOM 0 H VAL A 31 -4.796 3.173 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.838 2.668 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.116 1.802 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.665 1.501 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.477 0.344 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.638 1.759 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.638 3.737 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.666 4.120 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.163 4.217 -2.741 1.00 0.00 H new ATOM 441 N THR A 32 -4.083 -0.195 -4.183 1.00 0.00 N ATOM 442 CA THR A 32 -4.248 -1.593 -4.541 1.00 0.00 C ATOM 443 C THR A 32 -4.904 -1.717 -5.918 1.00 0.00 C ATOM 444 O THR A 32 -4.505 -2.554 -6.726 1.00 0.00 O ATOM 445 CB THR A 32 -5.043 -2.276 -3.426 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.046 -1.324 -3.082 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.228 -2.439 -2.142 1.00 0.00 C ATOM 0 H THR A 32 -4.490 0.066 -3.285 1.00 0.00 H new ATOM 0 HA THR A 32 -3.285 -2.095 -4.628 1.00 0.00 H new ATOM 0 HB THR A 32 -5.381 -3.254 -3.768 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.651 -1.198 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.838 -2.929 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.346 -3.046 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.918 -1.458 -1.781 1.00 0.00 H new ATOM 455 N ARG A 33 -5.898 -0.871 -6.143 1.00 0.00 N ATOM 456 CA ARG A 33 -6.613 -0.875 -7.408 1.00 0.00 C ATOM 457 C ARG A 33 -5.636 -0.683 -8.570 1.00 0.00 C ATOM 458 O ARG A 33 -5.551 -1.528 -9.460 1.00 0.00 O ATOM 459 CB ARG A 33 -7.667 0.233 -7.449 1.00 0.00 C ATOM 460 CG ARG A 33 -8.900 -0.212 -8.238 1.00 0.00 C ATOM 461 CD ARG A 33 -9.609 0.988 -8.869 1.00 0.00 C ATOM 462 NE ARG A 33 -8.779 1.552 -9.957 1.00 0.00 N ATOM 463 CZ ARG A 33 -9.153 2.578 -10.733 1.00 0.00 C ATOM 464 NH1 ARG A 33 -10.346 3.159 -10.545 1.00 0.00 N ATOM 465 NH2 ARG A 33 -8.335 3.024 -11.695 1.00 0.00 N ATOM 0 H ARG A 33 -6.225 -0.178 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.112 -1.839 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.958 0.501 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.242 1.127 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.604 -0.915 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.588 -0.740 -7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.579 0.683 -9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.797 1.749 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.865 1.133 -10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.968 2.820 -9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.631 3.940 -11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.427 2.582 -11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.620 3.805 -12.285 1.00 0.00 H new ATOM 479 N ILE A 34 -4.923 0.433 -8.524 1.00 0.00 N ATOM 480 CA ILE A 34 -3.956 0.746 -9.562 1.00 0.00 C ATOM 481 C ILE A 34 -2.947 -0.399 -9.675 1.00 0.00 C ATOM 482 O ILE A 34 -2.693 -0.901 -10.769 1.00 0.00 O ATOM 483 CB ILE A 34 -3.312 2.109 -9.301 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.371 3.211 -9.228 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.236 2.416 -10.344 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.267 3.985 -7.912 1.00 0.00 C ATOM 0 H ILE A 34 -4.996 1.131 -7.784 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.451 0.833 -10.529 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.818 2.073 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.247 3.895 -10.067 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.365 2.772 -9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.794 3.390 -10.135 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.461 1.650 -10.304 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.685 2.426 -11.337 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.031 4.762 -7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.415 3.302 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.281 4.443 -7.836 1.00 0.00 H new ATOM 498 N LEU A 35 -2.400 -0.779 -8.530 1.00 0.00 N ATOM 499 CA LEU A 35 -1.425 -1.855 -8.487 1.00 0.00 C ATOM 500 C LEU A 35 -2.054 -3.130 -9.054 1.00 0.00 C ATOM 501 O LEU A 35 -1.367 -3.945 -9.668 1.00 0.00 O ATOM 502 CB LEU A 35 -0.871 -2.020 -7.070 1.00 0.00 C ATOM 503 CG LEU A 35 0.130 -0.957 -6.614 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.579 -1.209 -5.173 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.316 -0.872 -7.577 1.00 0.00 C ATOM 0 H LEU A 35 -2.614 -0.361 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.566 -1.616 -9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.708 -2.025 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.391 -2.996 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.369 0.012 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.290 -0.439 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.287 -1.180 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.054 -2.188 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.013 -0.109 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.823 -1.836 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.958 -0.610 -8.573 1.00 0.00 H new ATOM 517 N ASP A 36 -3.352 -3.262 -8.827 1.00 0.00 N ATOM 518 CA ASP A 36 -4.081 -4.424 -9.307 1.00 0.00 C ATOM 519 C ASP A 36 -4.264 -4.315 -10.822 1.00 0.00 C ATOM 520 O ASP A 36 -4.151 -5.309 -11.537 1.00 0.00 O ATOM 521 CB ASP A 36 -5.468 -4.507 -8.668 1.00 0.00 C ATOM 522 CG ASP A 36 -6.297 -5.726 -9.077 1.00 0.00 C ATOM 523 OD1 ASP A 36 -6.099 -6.786 -8.444 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.111 -5.571 -10.013 1.00 0.00 O ATOM 0 H ASP A 36 -3.918 -2.584 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.509 -5.314 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.352 -4.512 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.024 -3.605 -8.925 1.00 0.00 H new ATOM 529 N GLY A 37 -4.544 -3.099 -11.266 1.00 0.00 N ATOM 530 CA GLY A 37 -4.744 -2.847 -12.683 1.00 0.00 C ATOM 531 C GLY A 37 -3.428 -2.971 -13.453 1.00 0.00 C ATOM 532 O GLY A 37 -3.386 -3.574 -14.525 1.00 0.00 O ATOM 0 H GLY A 37 -4.637 -2.277 -10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.471 -3.554 -13.083 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.159 -1.849 -12.823 1.00 0.00 H new ATOM 536 N LYS A 38 -2.386 -2.391 -12.877 1.00 0.00 N ATOM 537 CA LYS A 38 -1.072 -2.429 -13.496 1.00 0.00 C ATOM 538 C LYS A 38 -0.539 -3.863 -13.464 1.00 0.00 C ATOM 539 O LYS A 38 0.434 -4.183 -14.145 1.00 0.00 O ATOM 540 CB LYS A 38 -0.139 -1.411 -12.836 1.00 0.00 C ATOM 541 CG LYS A 38 -0.631 0.018 -13.074 1.00 0.00 C ATOM 542 CD LYS A 38 0.436 0.854 -13.783 1.00 0.00 C ATOM 543 CE LYS A 38 -0.109 2.234 -14.159 1.00 0.00 C ATOM 544 NZ LYS A 38 0.127 2.510 -15.594 1.00 0.00 N ATOM 0 H LYS A 38 -2.425 -1.892 -11.988 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.136 -2.136 -14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.081 -1.606 -11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.869 -1.524 -13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.541 -0.002 -13.674 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.888 0.481 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.305 0.967 -13.135 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.773 0.335 -14.680 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.177 2.281 -13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.373 3.000 -13.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.249 3.450 -15.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.148 2.485 -15.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.353 1.789 -16.170 1.00 0.00 H new ATOM 558 N ARG A 39 -1.199 -4.688 -12.665 1.00 0.00 N ATOM 559 CA ARG A 39 -0.804 -6.080 -12.535 1.00 0.00 C ATOM 560 C ARG A 39 0.599 -6.180 -11.933 1.00 0.00 C ATOM 561 O ARG A 39 1.428 -6.954 -12.407 1.00 0.00 O ATOM 562 CB ARG A 39 -0.820 -6.786 -13.892 1.00 0.00 C ATOM 563 CG ARG A 39 -2.209 -7.349 -14.201 1.00 0.00 C ATOM 564 CD ARG A 39 -2.257 -8.858 -13.951 1.00 0.00 C ATOM 565 NE ARG A 39 -3.456 -9.201 -13.154 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.635 -10.375 -12.534 1.00 0.00 C ATOM 567 NH1 ARG A 39 -2.695 -11.326 -12.615 1.00 0.00 N ATOM 568 NH2 ARG A 39 -4.755 -10.598 -11.833 1.00 0.00 N ATOM 0 H ARG A 39 -2.005 -4.419 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.522 -6.568 -11.876 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.525 -6.086 -14.674 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.088 -7.593 -13.895 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.954 -6.850 -13.581 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.467 -7.140 -15.239 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.277 -9.392 -14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.357 -9.177 -13.425 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.192 -8.500 -13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.843 -11.156 -13.149 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.832 -12.220 -12.143 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.471 -9.874 -11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.892 -11.492 -11.361 1.00 0.00 H new ATOM 582 N ILE A 40 0.820 -5.385 -10.896 1.00 0.00 N ATOM 583 CA ILE A 40 2.108 -5.374 -10.223 1.00 0.00 C ATOM 584 C ILE A 40 2.099 -6.408 -9.095 1.00 0.00 C ATOM 585 O ILE A 40 1.089 -6.579 -8.414 1.00 0.00 O ATOM 586 CB ILE A 40 2.458 -3.959 -9.758 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.754 -3.047 -10.950 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.611 -3.982 -8.753 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.839 -1.584 -10.513 1.00 0.00 C ATOM 0 H ILE A 40 0.129 -4.744 -10.506 1.00 0.00 H new ATOM 0 HA ILE A 40 2.901 -5.663 -10.913 1.00 0.00 H new ATOM 0 HB ILE A 40 1.591 -3.544 -9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.693 -3.346 -11.417 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.973 -3.161 -11.702 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.840 -2.964 -8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.325 -4.574 -7.884 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.491 -4.424 -9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.050 -0.957 -11.379 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.891 -1.281 -10.069 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.637 -1.469 -9.779 1.00 0.00 H new ATOM 601 N GLN A 41 3.235 -7.070 -8.933 1.00 0.00 N ATOM 602 CA GLN A 41 3.370 -8.082 -7.899 1.00 0.00 C ATOM 603 C GLN A 41 3.765 -7.435 -6.570 1.00 0.00 C ATOM 604 O GLN A 41 4.884 -6.947 -6.422 1.00 0.00 O ATOM 605 CB GLN A 41 4.382 -9.153 -8.309 1.00 0.00 C ATOM 606 CG GLN A 41 3.697 -10.506 -8.513 1.00 0.00 C ATOM 607 CD GLN A 41 4.292 -11.567 -7.585 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.347 -11.394 -6.997 1.00 0.00 O ATOM 609 NE2 GLN A 41 3.557 -12.672 -7.486 1.00 0.00 N ATOM 0 H GLN A 41 4.070 -6.925 -9.500 1.00 0.00 H new ATOM 0 HA GLN A 41 2.405 -8.571 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.882 -8.852 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.152 -9.243 -7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.628 -10.409 -8.322 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.808 -10.821 -9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.683 -12.752 -8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.868 -13.439 -6.890 1.00 0.00 H new ATOM 618 N TYR A 42 2.824 -7.451 -5.638 1.00 0.00 N ATOM 619 CA TYR A 42 3.059 -6.871 -4.327 1.00 0.00 C ATOM 620 C TYR A 42 2.403 -7.712 -3.229 1.00 0.00 C ATOM 621 O TYR A 42 1.732 -8.701 -3.518 1.00 0.00 O ATOM 622 CB TYR A 42 2.404 -5.488 -4.353 1.00 0.00 C ATOM 623 CG TYR A 42 0.875 -5.523 -4.322 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.214 -5.770 -3.136 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.157 -5.309 -5.481 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.225 -5.803 -3.108 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.282 -5.342 -5.452 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.902 -5.587 -4.267 1.00 0.00 C ATOM 629 OH TYR A 42 -3.262 -5.618 -4.240 1.00 0.00 O ATOM 0 H TYR A 42 1.897 -7.857 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 42 4.127 -6.824 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.761 -4.912 -3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.727 -4.961 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.776 -5.938 -2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.674 -5.117 -6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.755 -5.995 -2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.856 -5.176 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.611 -5.446 -5.139 1.00 0.00 H new ATOM 639 N GLN A 43 2.621 -7.288 -1.993 1.00 0.00 N ATOM 640 CA GLN A 43 2.060 -7.989 -0.851 1.00 0.00 C ATOM 641 C GLN A 43 1.371 -7.002 0.092 1.00 0.00 C ATOM 642 O GLN A 43 1.976 -6.018 0.517 1.00 0.00 O ATOM 643 CB GLN A 43 3.137 -8.790 -0.116 1.00 0.00 C ATOM 644 CG GLN A 43 2.534 -10.014 0.575 1.00 0.00 C ATOM 645 CD GLN A 43 3.614 -11.048 0.901 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.296 -11.566 0.032 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.731 -11.317 2.198 1.00 0.00 N ATOM 0 H GLN A 43 3.179 -6.467 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 43 1.313 -8.695 -1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.904 -9.108 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.627 -8.155 0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.031 -9.707 1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.778 -10.463 -0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.128 -10.847 2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.424 -11.993 2.518 1.00 0.00 H new ATOM 656 N LEU A 44 0.115 -7.297 0.393 1.00 0.00 N ATOM 657 CA LEU A 44 -0.663 -6.448 1.278 1.00 0.00 C ATOM 658 C LEU A 44 -0.262 -6.726 2.728 1.00 0.00 C ATOM 659 O LEU A 44 -0.556 -7.794 3.263 1.00 0.00 O ATOM 660 CB LEU A 44 -2.159 -6.621 1.010 1.00 0.00 C ATOM 661 CG LEU A 44 -2.983 -5.334 0.947 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.551 -5.115 -0.457 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.078 -5.331 2.015 1.00 0.00 C ATOM 0 H LEU A 44 -0.384 -8.113 0.039 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.448 -5.397 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.280 -7.152 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.576 -7.258 1.790 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.322 -4.494 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.133 -4.193 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.733 -5.041 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.193 -5.954 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.649 -4.405 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.743 -6.180 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.623 -5.406 3.003 1.00 0.00 H new ATOM 675 N VAL A 45 0.405 -5.748 3.323 1.00 0.00 N ATOM 676 CA VAL A 45 0.849 -5.874 4.700 1.00 0.00 C ATOM 677 C VAL A 45 -0.179 -5.221 5.626 1.00 0.00 C ATOM 678 O VAL A 45 -0.368 -4.006 5.590 1.00 0.00 O ATOM 679 CB VAL A 45 2.252 -5.283 4.853 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.674 -5.246 6.324 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.268 -6.057 4.011 1.00 0.00 C ATOM 0 H VAL A 45 0.649 -4.864 2.876 1.00 0.00 H new ATOM 0 HA VAL A 45 0.920 -6.924 4.983 1.00 0.00 H new ATOM 0 HB VAL A 45 2.225 -4.257 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.675 -4.822 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.973 -4.631 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.676 -6.259 6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.257 -5.616 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.290 -7.098 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.982 -6.009 2.960 1.00 0.00 H new ATOM 691 N ASP A 46 -0.816 -6.056 6.433 1.00 0.00 N ATOM 692 CA ASP A 46 -1.821 -5.575 7.366 1.00 0.00 C ATOM 693 C ASP A 46 -1.134 -5.106 8.650 1.00 0.00 C ATOM 694 O ASP A 46 -0.667 -5.922 9.443 1.00 0.00 O ATOM 695 CB ASP A 46 -2.806 -6.686 7.736 1.00 0.00 C ATOM 696 CG ASP A 46 -4.098 -6.209 8.402 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.732 -5.299 7.825 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.422 -6.764 9.474 1.00 0.00 O ATOM 0 H ASP A 46 -0.656 -7.063 6.460 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.362 -4.758 6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.063 -7.239 6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.306 -7.386 8.406 1.00 0.00 H new ATOM 703 N ILE A 47 -1.094 -3.792 8.816 1.00 0.00 N ATOM 704 CA ILE A 47 -0.473 -3.204 9.990 1.00 0.00 C ATOM 705 C ILE A 47 -1.406 -3.366 11.191 1.00 0.00 C ATOM 706 O ILE A 47 -0.947 -3.521 12.322 1.00 0.00 O ATOM 707 CB ILE A 47 -0.071 -1.753 9.714 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.303 -0.850 9.633 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.796 -1.653 8.458 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.905 0.595 9.326 1.00 0.00 C ATOM 0 H ILE A 47 -1.482 -3.118 8.156 1.00 0.00 H new ATOM 0 HA ILE A 47 0.453 -3.726 10.233 1.00 0.00 H new ATOM 0 HB ILE A 47 0.533 -1.401 10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.977 -1.217 8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.849 -0.888 10.576 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.067 -0.612 8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.701 -2.246 8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.239 -2.030 7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.800 1.216 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.250 0.967 10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.381 0.633 8.371 1.00 0.00 H new ATOM 722 N SER A 48 -2.699 -3.325 10.905 1.00 0.00 N ATOM 723 CA SER A 48 -3.701 -3.466 11.948 1.00 0.00 C ATOM 724 C SER A 48 -3.522 -4.803 12.669 1.00 0.00 C ATOM 725 O SER A 48 -3.870 -4.932 13.841 1.00 0.00 O ATOM 726 CB SER A 48 -5.114 -3.358 11.372 1.00 0.00 C ATOM 727 OG SER A 48 -5.518 -4.559 10.720 1.00 0.00 O ATOM 0 H SER A 48 -3.076 -3.196 9.966 1.00 0.00 H new ATOM 0 HA SER A 48 -3.566 -2.655 12.663 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.816 -3.127 12.174 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.155 -2.530 10.664 1.00 0.00 H new ATOM 0 HG SER A 48 -6.401 -4.829 11.049 1.00 0.00 H new ATOM 733 N GLN A 49 -2.980 -5.766 11.937 1.00 0.00 N ATOM 734 CA GLN A 49 -2.751 -7.089 12.491 1.00 0.00 C ATOM 735 C GLN A 49 -1.790 -7.007 13.679 1.00 0.00 C ATOM 736 O GLN A 49 -2.140 -7.395 14.793 1.00 0.00 O ATOM 737 CB GLN A 49 -2.222 -8.047 11.423 1.00 0.00 C ATOM 738 CG GLN A 49 -3.301 -9.046 11.000 1.00 0.00 C ATOM 739 CD GLN A 49 -3.263 -10.299 11.877 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.722 -10.311 13.008 1.00 0.00 O ATOM 741 NE2 GLN A 49 -2.692 -11.350 11.295 1.00 0.00 N ATOM 0 H GLN A 49 -2.693 -5.656 10.964 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.703 -7.483 12.845 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.886 -7.480 10.555 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.355 -8.584 11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.283 -8.578 11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.155 -9.324 9.956 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.328 -11.272 10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.618 -12.234 11.798 1.00 0.00 H new ATOM 750 N ASP A 50 -0.598 -6.501 13.401 1.00 0.00 N ATOM 751 CA ASP A 50 0.416 -6.363 14.432 1.00 0.00 C ATOM 752 C ASP A 50 0.686 -4.878 14.681 1.00 0.00 C ATOM 753 O ASP A 50 1.315 -4.212 13.860 1.00 0.00 O ATOM 754 CB ASP A 50 1.731 -7.018 14.003 1.00 0.00 C ATOM 755 CG ASP A 50 2.461 -7.786 15.106 1.00 0.00 C ATOM 756 OD1 ASP A 50 2.966 -7.111 16.029 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.498 -9.031 15.001 1.00 0.00 O ATOM 0 H ASP A 50 -0.311 -6.181 12.476 1.00 0.00 H new ATOM 0 HA ASP A 50 0.048 -6.851 15.334 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.527 -7.702 13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.396 -6.245 13.618 1.00 0.00 H new ATOM 762 N ASN A 51 0.198 -4.403 15.817 1.00 0.00 N ATOM 763 CA ASN A 51 0.379 -3.009 16.185 1.00 0.00 C ATOM 764 C ASN A 51 1.813 -2.583 15.862 1.00 0.00 C ATOM 765 O ASN A 51 2.053 -1.439 15.478 1.00 0.00 O ATOM 766 CB ASN A 51 0.150 -2.799 17.683 1.00 0.00 C ATOM 767 CG ASN A 51 0.922 -3.833 18.505 1.00 0.00 C ATOM 768 OD1 ASN A 51 2.059 -3.629 18.897 1.00 0.00 O ATOM 769 ND2 ASN A 51 0.242 -4.951 18.744 1.00 0.00 N ATOM 0 H ASN A 51 -0.323 -4.959 16.495 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.343 -2.416 15.624 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.466 -1.795 17.966 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.914 -2.873 17.906 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.670 -5.702 19.285 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.707 -5.057 18.386 1.00 0.00 H new ATOM 776 N ALA A 52 2.728 -3.526 16.029 1.00 0.00 N ATOM 777 CA ALA A 52 4.132 -3.262 15.760 1.00 0.00 C ATOM 778 C ALA A 52 4.276 -2.674 14.355 1.00 0.00 C ATOM 779 O ALA A 52 4.864 -1.608 14.182 1.00 0.00 O ATOM 780 CB ALA A 52 4.936 -4.552 15.937 1.00 0.00 C ATOM 0 H ALA A 52 2.525 -4.474 16.347 1.00 0.00 H new ATOM 0 HA ALA A 52 4.527 -2.531 16.465 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.989 -4.355 15.735 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.824 -4.913 16.959 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.569 -5.308 15.243 1.00 0.00 H new ATOM 786 N LEU A 53 3.728 -3.394 13.387 1.00 0.00 N ATOM 787 CA LEU A 53 3.788 -2.956 12.003 1.00 0.00 C ATOM 788 C LEU A 53 3.556 -1.445 11.940 1.00 0.00 C ATOM 789 O LEU A 53 4.404 -0.704 11.445 1.00 0.00 O ATOM 790 CB LEU A 53 2.813 -3.764 11.143 1.00 0.00 C ATOM 791 CG LEU A 53 3.196 -5.223 10.887 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.952 -6.110 10.810 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.069 -5.350 9.637 1.00 0.00 C ATOM 0 H LEU A 53 3.240 -4.278 13.534 1.00 0.00 H new ATOM 0 HA LEU A 53 4.777 -3.145 11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.834 -3.745 11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.707 -3.263 10.181 1.00 0.00 H new ATOM 0 HG LEU A 53 3.790 -5.574 11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.252 -7.142 10.627 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.405 -6.052 11.751 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.312 -5.769 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.327 -6.397 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.522 -4.976 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.981 -4.768 9.769 1.00 0.00 H new ATOM 805 N ARG A 54 2.405 -1.033 12.450 1.00 0.00 N ATOM 806 CA ARG A 54 2.051 0.376 12.457 1.00 0.00 C ATOM 807 C ARG A 54 3.285 1.231 12.753 1.00 0.00 C ATOM 808 O ARG A 54 3.519 2.240 12.090 1.00 0.00 O ATOM 809 CB ARG A 54 0.974 0.668 13.504 1.00 0.00 C ATOM 810 CG ARG A 54 0.182 1.925 13.139 1.00 0.00 C ATOM 811 CD ARG A 54 -1.018 2.107 14.072 1.00 0.00 C ATOM 812 NE ARG A 54 -1.989 3.048 13.470 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.775 2.750 12.426 1.00 0.00 C ATOM 814 NH1 ARG A 54 -2.709 1.536 11.863 1.00 0.00 N ATOM 815 NH2 ARG A 54 -3.626 3.666 11.946 1.00 0.00 N ATOM 0 H ARG A 54 1.705 -1.651 12.862 1.00 0.00 H new ATOM 0 HA ARG A 54 1.660 0.625 11.471 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.297 -0.183 13.582 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.438 0.797 14.482 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.831 2.799 13.200 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.162 1.856 12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.497 1.145 14.254 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.684 2.485 15.038 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.065 3.981 13.875 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.061 0.839 12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.307 1.309 11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.676 4.590 12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.224 3.440 11.152 1.00 0.00 H new ATOM 829 N ASP A 55 4.042 0.796 13.750 1.00 0.00 N ATOM 830 CA ASP A 55 5.246 1.509 14.142 1.00 0.00 C ATOM 831 C ASP A 55 6.343 1.255 13.106 1.00 0.00 C ATOM 832 O ASP A 55 6.836 2.190 12.477 1.00 0.00 O ATOM 833 CB ASP A 55 5.756 1.023 15.500 1.00 0.00 C ATOM 834 CG ASP A 55 6.621 2.028 16.263 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.671 3.193 15.811 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.212 1.610 17.282 1.00 0.00 O ATOM 0 H ASP A 55 3.845 -0.041 14.298 1.00 0.00 H new ATOM 0 HA ASP A 55 5.005 2.570 14.206 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.899 0.760 16.120 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.333 0.111 15.349 1.00 0.00 H new ATOM 841 N GLU A 56 6.694 -0.014 12.961 1.00 0.00 N ATOM 842 CA GLU A 56 7.724 -0.402 12.013 1.00 0.00 C ATOM 843 C GLU A 56 7.607 0.428 10.733 1.00 0.00 C ATOM 844 O GLU A 56 8.615 0.866 10.179 1.00 0.00 O ATOM 845 CB GLU A 56 7.649 -1.899 11.705 1.00 0.00 C ATOM 846 CG GLU A 56 8.732 -2.670 12.463 1.00 0.00 C ATOM 847 CD GLU A 56 8.828 -4.113 11.965 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.755 -4.741 11.833 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.972 -4.557 11.727 1.00 0.00 O ATOM 0 H GLU A 56 6.283 -0.787 13.484 1.00 0.00 H new ATOM 0 HA GLU A 56 8.697 -0.205 12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.666 -2.281 11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.766 -2.060 10.633 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.694 -2.173 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.509 -2.664 13.530 1.00 0.00 H new ATOM 856 N MET A 57 6.370 0.619 10.301 1.00 0.00 N ATOM 857 CA MET A 57 6.108 1.389 9.097 1.00 0.00 C ATOM 858 C MET A 57 6.533 2.848 9.276 1.00 0.00 C ATOM 859 O MET A 57 7.216 3.409 8.420 1.00 0.00 O ATOM 860 CB MET A 57 4.616 1.329 8.766 1.00 0.00 C ATOM 861 CG MET A 57 4.334 1.933 7.389 1.00 0.00 C ATOM 862 SD MET A 57 4.205 3.709 7.516 1.00 0.00 S ATOM 863 CE MET A 57 2.791 3.840 8.597 1.00 0.00 C ATOM 0 H MET A 57 5.537 0.254 10.763 1.00 0.00 H new ATOM 0 HA MET A 57 6.688 0.959 8.280 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.276 0.294 8.789 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.050 1.867 9.526 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.132 1.667 6.696 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.410 1.521 6.984 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.191 4.703 8.309 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.187 2.936 8.518 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.130 3.961 9.626 1.00 0.00 H new ATOM 873 N ARG A 58 6.112 3.421 10.394 1.00 0.00 N ATOM 874 CA ARG A 58 6.441 4.804 10.696 1.00 0.00 C ATOM 875 C ARG A 58 7.956 5.010 10.655 1.00 0.00 C ATOM 876 O ARG A 58 8.442 5.942 10.016 1.00 0.00 O ATOM 877 CB ARG A 58 5.914 5.206 12.075 1.00 0.00 C ATOM 878 CG ARG A 58 4.502 5.786 11.975 1.00 0.00 C ATOM 879 CD ARG A 58 3.587 5.187 13.045 1.00 0.00 C ATOM 880 NE ARG A 58 2.256 4.895 12.468 1.00 0.00 N ATOM 881 CZ ARG A 58 1.269 5.795 12.363 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.456 7.049 12.797 1.00 0.00 N ATOM 883 NH2 ARG A 58 0.094 5.441 11.825 1.00 0.00 N ATOM 0 H ARG A 58 5.546 2.953 11.102 1.00 0.00 H new ATOM 0 HA ARG A 58 5.966 5.431 9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.908 4.337 12.733 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.582 5.941 12.523 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.541 6.869 12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.091 5.584 10.986 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.028 4.273 13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.486 5.881 13.879 1.00 0.00 H new ATOM 0 HE ARG A 58 2.079 3.949 12.129 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.350 7.319 13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.704 7.734 12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.049 4.486 11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.657 6.126 11.745 1.00 0.00 H new ATOM 897 N THR A 59 8.660 4.126 11.346 1.00 0.00 N ATOM 898 CA THR A 59 10.111 4.199 11.397 1.00 0.00 C ATOM 899 C THR A 59 10.699 4.120 9.987 1.00 0.00 C ATOM 900 O THR A 59 11.473 4.987 9.583 1.00 0.00 O ATOM 901 CB THR A 59 10.608 3.090 12.326 1.00 0.00 C ATOM 902 OG1 THR A 59 10.356 3.594 13.634 1.00 0.00 O ATOM 903 CG2 THR A 59 12.128 2.923 12.276 1.00 0.00 C ATOM 0 H THR A 59 8.253 3.355 11.876 1.00 0.00 H new ATOM 0 HA THR A 59 10.445 5.155 11.801 1.00 0.00 H new ATOM 0 HB THR A 59 10.131 2.148 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.647 2.936 14.300 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.429 2.124 12.953 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.433 2.672 11.260 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.607 3.854 12.579 1.00 0.00 H new ATOM 911 N LEU A 60 10.308 3.073 9.275 1.00 0.00 N ATOM 912 CA LEU A 60 10.787 2.869 7.919 1.00 0.00 C ATOM 913 C LEU A 60 10.516 4.128 7.092 1.00 0.00 C ATOM 914 O LEU A 60 11.438 4.716 6.530 1.00 0.00 O ATOM 915 CB LEU A 60 10.180 1.598 7.321 1.00 0.00 C ATOM 916 CG LEU A 60 10.752 0.276 7.834 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.920 -0.910 7.342 1.00 0.00 C ATOM 918 CD2 LEU A 60 12.229 0.135 7.459 1.00 0.00 C ATOM 0 H LEU A 60 9.665 2.357 9.612 1.00 0.00 H new ATOM 0 HA LEU A 60 11.865 2.711 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.107 1.606 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.310 1.632 6.239 1.00 0.00 H new ATOM 0 HG LEU A 60 10.695 0.279 8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.349 -1.838 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.896 -0.810 7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.922 -0.929 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.611 -0.814 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.333 0.163 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.796 0.955 7.899 1.00 0.00 H new ATOM 930 N ALA A 61 9.246 4.504 7.045 1.00 0.00 N ATOM 931 CA ALA A 61 8.842 5.682 6.297 1.00 0.00 C ATOM 932 C ALA A 61 9.743 6.858 6.679 1.00 0.00 C ATOM 933 O ALA A 61 10.322 7.508 5.810 1.00 0.00 O ATOM 934 CB ALA A 61 7.363 5.971 6.561 1.00 0.00 C ATOM 0 H ALA A 61 8.484 4.014 7.513 1.00 0.00 H new ATOM 0 HA ALA A 61 8.956 5.514 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.059 6.855 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.763 5.117 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.211 6.147 7.626 1.00 0.00 H new ATOM 940 N GLY A 62 9.833 7.094 7.979 1.00 0.00 N ATOM 941 CA GLY A 62 10.654 8.181 8.487 1.00 0.00 C ATOM 942 C GLY A 62 9.792 9.253 9.155 1.00 0.00 C ATOM 943 O GLY A 62 10.125 10.437 9.115 1.00 0.00 O ATOM 0 H GLY A 62 9.351 6.552 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.376 7.791 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.223 8.624 7.670 1.00 0.00 H new ATOM 947 N ASN A 63 8.701 8.801 9.755 1.00 0.00 N ATOM 948 CA ASN A 63 7.788 9.708 10.431 1.00 0.00 C ATOM 949 C ASN A 63 6.912 8.912 11.401 1.00 0.00 C ATOM 950 O ASN A 63 6.354 7.879 11.034 1.00 0.00 O ATOM 951 CB ASN A 63 6.869 10.411 9.431 1.00 0.00 C ATOM 952 CG ASN A 63 6.466 11.798 9.939 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.272 12.559 10.448 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.178 12.081 9.772 1.00 0.00 N ATOM 0 H ASN A 63 8.428 7.819 9.787 1.00 0.00 H new ATOM 0 HA ASN A 63 8.382 10.454 10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.375 10.504 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.977 9.807 9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.810 12.982 10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.558 11.397 9.338 1.00 0.00 H new ATOM 961 N PRO A 64 6.815 9.438 12.652 1.00 0.00 N ATOM 962 CA PRO A 64 6.016 8.788 13.676 1.00 0.00 C ATOM 963 C PRO A 64 4.522 9.011 13.430 1.00 0.00 C ATOM 964 O PRO A 64 3.700 8.160 13.766 1.00 0.00 O ATOM 965 CB PRO A 64 6.497 9.386 14.988 1.00 0.00 C ATOM 966 CG PRO A 64 7.213 10.675 14.621 1.00 0.00 C ATOM 967 CD PRO A 64 7.462 10.660 13.121 1.00 0.00 C ATOM 0 HA PRO A 64 6.136 7.705 13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.660 9.581 15.658 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.167 8.701 15.507 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.610 11.539 14.899 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.155 10.756 15.163 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.039 11.542 12.640 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.529 10.655 12.896 1.00 0.00 H new ATOM 975 N LYS A 65 4.216 10.160 12.845 1.00 0.00 N ATOM 976 CA LYS A 65 2.836 10.505 12.550 1.00 0.00 C ATOM 977 C LYS A 65 2.534 10.176 11.087 1.00 0.00 C ATOM 978 O LYS A 65 1.980 11.001 10.363 1.00 0.00 O ATOM 979 CB LYS A 65 2.557 11.963 12.922 1.00 0.00 C ATOM 980 CG LYS A 65 2.812 12.207 14.411 1.00 0.00 C ATOM 981 CD LYS A 65 1.554 12.735 15.104 1.00 0.00 C ATOM 982 CE LYS A 65 1.830 13.053 16.574 1.00 0.00 C ATOM 983 NZ LYS A 65 0.608 12.858 17.385 1.00 0.00 N ATOM 0 H LYS A 65 4.900 10.864 12.568 1.00 0.00 H new ATOM 0 HA LYS A 65 2.156 9.909 13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.191 12.621 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.524 12.212 12.681 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.131 11.279 14.886 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.625 12.922 14.532 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.203 13.632 14.594 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.757 11.995 15.032 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.628 12.411 16.947 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.177 14.082 16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.813 13.078 18.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.143 13.489 17.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.294 11.870 17.307 1.00 0.00 H new ATOM 997 N ALA A 66 2.913 8.968 10.695 1.00 0.00 N ATOM 998 CA ALA A 66 2.690 8.520 9.331 1.00 0.00 C ATOM 999 C ALA A 66 1.384 7.725 9.267 1.00 0.00 C ATOM 1000 O ALA A 66 0.824 7.361 10.300 1.00 0.00 O ATOM 1001 CB ALA A 66 3.894 7.702 8.859 1.00 0.00 C ATOM 0 H ALA A 66 3.373 8.286 11.298 1.00 0.00 H new ATOM 0 HA ALA A 66 2.591 9.372 8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.727 7.366 7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.791 8.320 8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.023 6.836 9.509 1.00 0.00 H new ATOM 1007 N THR A 67 0.938 7.480 8.044 1.00 0.00 N ATOM 1008 CA THR A 67 -0.292 6.735 7.832 1.00 0.00 C ATOM 1009 C THR A 67 -0.278 6.062 6.458 1.00 0.00 C ATOM 1010 O THR A 67 0.456 6.482 5.565 1.00 0.00 O ATOM 1011 CB THR A 67 -1.466 7.696 8.026 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.103 8.846 7.267 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.568 8.215 9.462 1.00 0.00 C ATOM 0 H THR A 67 1.406 7.784 7.190 1.00 0.00 H new ATOM 0 HA THR A 67 -0.393 5.925 8.554 1.00 0.00 H new ATOM 0 HB THR A 67 -2.394 7.193 7.755 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.811 9.520 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.418 8.893 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.706 7.375 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.653 8.747 9.722 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.119 5.001 6.329 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.210 4.266 5.079 1.00 0.00 C ATOM 1023 C PRO A 68 -1.994 5.060 4.032 1.00 0.00 C ATOM 1024 O PRO A 68 -2.648 6.049 4.359 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.873 2.948 5.445 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.547 3.180 6.788 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.002 4.475 7.366 1.00 0.00 C ATOM 0 HA PRO A 68 -0.236 4.093 4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.600 2.653 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.138 2.146 5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.628 3.242 6.667 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.349 2.348 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.805 5.175 7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.460 4.297 8.295 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.901 4.584 2.762 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.106 3.406 2.460 1.00 0.00 C ATOM 1037 C PRO A 69 0.389 3.733 2.484 1.00 0.00 C ATOM 1038 O PRO A 69 0.774 4.878 2.714 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.591 2.943 1.096 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.305 4.135 0.480 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.549 5.152 1.583 1.00 0.00 C ATOM 0 HA PRO A 69 -1.227 2.615 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.756 2.623 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.264 2.091 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.702 4.572 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.249 3.825 0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.125 6.123 1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.615 5.305 1.752 1.00 0.00 H new ATOM 1049 N GLN A 70 1.190 2.706 2.243 1.00 0.00 N ATOM 1050 CA GLN A 70 2.634 2.870 2.234 1.00 0.00 C ATOM 1051 C GLN A 70 3.288 1.769 1.397 1.00 0.00 C ATOM 1052 O GLN A 70 3.238 0.595 1.760 1.00 0.00 O ATOM 1053 CB GLN A 70 3.194 2.881 3.658 1.00 0.00 C ATOM 1054 CG GLN A 70 3.860 4.221 3.975 1.00 0.00 C ATOM 1055 CD GLN A 70 2.914 5.132 4.760 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.208 4.708 5.661 1.00 0.00 O ATOM 1057 NE2 GLN A 70 2.939 6.403 4.370 1.00 0.00 N ATOM 0 H GLN A 70 0.867 1.757 2.053 1.00 0.00 H new ATOM 0 HA GLN A 70 2.867 3.833 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.390 2.693 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.918 2.075 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.769 4.052 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.157 4.712 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.554 6.691 3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.343 7.090 4.832 1.00 0.00 H new ATOM 1066 N ILE A 71 3.887 2.187 0.291 1.00 0.00 N ATOM 1067 CA ILE A 71 4.550 1.251 -0.601 1.00 0.00 C ATOM 1068 C ILE A 71 6.012 1.098 -0.177 1.00 0.00 C ATOM 1069 O ILE A 71 6.666 2.079 0.174 1.00 0.00 O ATOM 1070 CB ILE A 71 4.373 1.683 -2.058 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.891 1.819 -2.414 1.00 0.00 C ATOM 1072 CG2 ILE A 71 5.105 0.730 -3.005 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.572 3.233 -2.902 1.00 0.00 C ATOM 0 H ILE A 71 3.927 3.162 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 71 4.092 0.265 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 71 4.825 2.668 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.631 1.096 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.281 1.585 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.963 1.060 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.169 0.728 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.705 -0.277 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.512 3.303 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.810 3.951 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.166 3.455 -3.789 1.00 0.00 H new ATOM 1085 N VAL A 72 6.482 -0.140 -0.224 1.00 0.00 N ATOM 1086 CA VAL A 72 7.855 -0.433 0.150 1.00 0.00 C ATOM 1087 C VAL A 72 8.391 -1.558 -0.737 1.00 0.00 C ATOM 1088 O VAL A 72 7.717 -2.567 -0.943 1.00 0.00 O ATOM 1089 CB VAL A 72 7.932 -0.761 1.642 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.340 -0.514 2.186 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.891 0.035 2.433 1.00 0.00 C ATOM 0 H VAL A 72 5.937 -0.951 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 72 8.489 0.439 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 72 7.707 -1.821 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.367 -0.755 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.052 -1.144 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.606 0.534 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.967 -0.217 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.071 1.102 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.893 -0.212 2.072 1.00 0.00 H new ATOM 1101 N ASN A 73 9.599 -1.348 -1.240 1.00 0.00 N ATOM 1102 CA ASN A 73 10.234 -2.332 -2.100 1.00 0.00 C ATOM 1103 C ASN A 73 11.560 -2.770 -1.475 1.00 0.00 C ATOM 1104 O ASN A 73 12.526 -2.009 -1.463 1.00 0.00 O ATOM 1105 CB ASN A 73 10.533 -1.745 -3.481 1.00 0.00 C ATOM 1106 CG ASN A 73 10.175 -2.738 -4.588 1.00 0.00 C ATOM 1107 OD1 ASN A 73 9.890 -2.167 -5.755 1.00 0.00 O flip ATOM 1108 ND2 ASN A 73 10.159 -3.942 -4.396 1.00 0.00 N flip ATOM 0 H ASN A 73 10.155 -0.510 -1.068 1.00 0.00 H new ATOM 0 HA ASN A 73 9.553 -3.176 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.968 -0.823 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.589 -1.485 -3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.388 -4.315 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.916 -4.577 -5.157 1.00 0.00 H new ATOM 1115 N GLY A 74 11.563 -3.996 -0.972 1.00 0.00 N ATOM 1116 CA GLY A 74 12.755 -4.544 -0.346 1.00 0.00 C ATOM 1117 C GLY A 74 13.253 -3.634 0.778 1.00 0.00 C ATOM 1118 O GLY A 74 14.458 -3.468 0.960 1.00 0.00 O ATOM 0 H GLY A 74 10.760 -4.625 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.537 -5.535 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.539 -4.667 -1.094 1.00 0.00 H new ATOM 1122 N ASN A 75 12.299 -3.068 1.503 1.00 0.00 N ATOM 1123 CA ASN A 75 12.626 -2.179 2.605 1.00 0.00 C ATOM 1124 C ASN A 75 12.981 -0.797 2.052 1.00 0.00 C ATOM 1125 O ASN A 75 13.772 -0.069 2.651 1.00 0.00 O ATOM 1126 CB ASN A 75 13.831 -2.697 3.393 1.00 0.00 C ATOM 1127 CG ASN A 75 13.587 -2.593 4.899 1.00 0.00 C ATOM 1128 OD1 ASN A 75 13.944 -1.622 5.547 1.00 0.00 O ATOM 1129 ND2 ASN A 75 12.962 -3.645 5.420 1.00 0.00 N ATOM 0 H ASN A 75 11.300 -3.208 1.349 1.00 0.00 H new ATOM 0 HA ASN A 75 11.760 -2.128 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.027 -3.735 3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.719 -2.125 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.754 -3.672 6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.690 -4.425 4.821 1.00 0.00 H new ATOM 1136 N HIS A 76 12.380 -0.477 0.915 1.00 0.00 N ATOM 1137 CA HIS A 76 12.623 0.804 0.275 1.00 0.00 C ATOM 1138 C HIS A 76 11.339 1.637 0.290 1.00 0.00 C ATOM 1139 O HIS A 76 10.404 1.356 -0.459 1.00 0.00 O ATOM 1140 CB HIS A 76 13.187 0.609 -1.134 1.00 0.00 C ATOM 1141 CG HIS A 76 14.422 -0.258 -1.187 1.00 0.00 C ATOM 1142 ND1 HIS A 76 15.272 -0.417 -0.106 1.00 0.00 N ATOM 1143 CD2 HIS A 76 14.941 -1.010 -2.199 1.00 0.00 C ATOM 1144 CE1 HIS A 76 16.256 -1.230 -0.464 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.049 -1.596 -1.762 1.00 0.00 N ATOM 0 H HIS A 76 11.725 -1.083 0.421 1.00 0.00 H new ATOM 0 HA HIS A 76 13.379 1.356 0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.417 0.165 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.422 1.585 -1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.521 -1.112 -3.189 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.077 -1.547 0.162 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.647 -2.217 -2.307 1.00 0.00 H new ATOM 1153 N TYR A 77 11.336 2.644 1.150 1.00 0.00 N ATOM 1154 CA TYR A 77 10.183 3.520 1.272 1.00 0.00 C ATOM 1155 C TYR A 77 9.958 4.314 -0.016 1.00 0.00 C ATOM 1156 O TYR A 77 10.639 5.307 -0.264 1.00 0.00 O ATOM 1157 CB TYR A 77 10.511 4.493 2.406 1.00 0.00 C ATOM 1158 CG TYR A 77 9.413 5.523 2.679 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.088 5.136 2.681 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.747 6.840 2.924 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.055 6.105 2.938 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.713 7.809 3.181 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.418 7.394 3.175 1.00 0.00 C ATOM 1164 OH TYR A 77 6.442 8.309 3.418 1.00 0.00 O ATOM 0 H TYR A 77 12.113 2.873 1.769 1.00 0.00 H new ATOM 0 HA TYR A 77 9.280 2.941 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.696 3.924 3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.435 5.018 2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.826 4.106 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.783 7.144 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.015 5.815 2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.961 8.842 3.374 1.00 0.00 H new ATOM 0 HH TYR A 77 6.848 9.188 3.571 1.00 0.00 H new ATOM 1174 N CYS A 78 9.000 3.846 -0.802 1.00 0.00 N ATOM 1175 CA CYS A 78 8.677 4.499 -2.059 1.00 0.00 C ATOM 1176 C CYS A 78 8.088 5.877 -1.747 1.00 0.00 C ATOM 1177 O CYS A 78 8.656 6.899 -2.129 1.00 0.00 O ATOM 1178 CB CYS A 78 7.727 3.653 -2.910 1.00 0.00 C ATOM 1179 SG CYS A 78 8.469 2.010 -3.228 1.00 0.00 S ATOM 0 H CYS A 78 8.437 3.022 -0.593 1.00 0.00 H new ATOM 0 HA CYS A 78 9.583 4.617 -2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.772 3.537 -2.398 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.523 4.158 -3.854 1.00 0.00 H new ATOM 0 HG CYS A 78 9.227 1.675 -2.226 1.00 0.00 H new ATOM 1185 N GLY A 79 6.958 5.859 -1.056 1.00 0.00 N ATOM 1186 CA GLY A 79 6.287 7.094 -0.688 1.00 0.00 C ATOM 1187 C GLY A 79 4.842 6.826 -0.260 1.00 0.00 C ATOM 1188 O GLY A 79 4.446 5.675 -0.086 1.00 0.00 O ATOM 0 H GLY A 79 6.490 5.009 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.828 7.577 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.298 7.784 -1.532 1.00 0.00 H new ATOM 1192 N ASP A 80 4.095 7.909 -0.102 1.00 0.00 N ATOM 1193 CA ASP A 80 2.703 7.805 0.302 1.00 0.00 C ATOM 1194 C ASP A 80 1.822 7.687 -0.943 1.00 0.00 C ATOM 1195 O ASP A 80 2.314 7.780 -2.067 1.00 0.00 O ATOM 1196 CB ASP A 80 2.261 9.048 1.077 1.00 0.00 C ATOM 1197 CG ASP A 80 2.182 10.332 0.250 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.692 10.305 -0.891 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.613 11.313 0.777 1.00 0.00 O ATOM 0 H ASP A 80 4.427 8.862 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 80 2.602 6.927 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.282 8.855 1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.954 9.208 1.903 1.00 0.00 H new ATOM 1204 N TYR A 81 0.536 7.483 -0.702 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.418 7.351 -1.790 1.00 0.00 C ATOM 1206 C TYR A 81 -0.238 8.471 -2.816 1.00 0.00 C ATOM 1207 O TYR A 81 -0.232 8.219 -4.020 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.804 7.477 -1.153 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.925 7.763 -2.155 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.069 9.028 -2.686 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.792 6.755 -2.526 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.124 9.297 -3.629 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.847 7.024 -3.469 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.961 8.281 -3.973 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.957 8.535 -4.864 1.00 0.00 O ATOM 0 H TYR A 81 0.132 7.406 0.231 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.280 6.402 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.033 6.554 -0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.781 8.276 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.391 9.816 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.679 5.765 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.248 10.282 -4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.532 6.245 -3.769 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.838 7.971 -5.657 1.00 0.00 H new ATOM 1225 N GLU A 82 -0.095 9.684 -2.302 1.00 0.00 N ATOM 1226 CA GLU A 82 0.085 10.843 -3.160 1.00 0.00 C ATOM 1227 C GLU A 82 1.232 10.603 -4.143 1.00 0.00 C ATOM 1228 O GLU A 82 1.062 10.759 -5.351 1.00 0.00 O ATOM 1229 CB GLU A 82 0.329 12.106 -2.330 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.978 12.627 -1.729 1.00 0.00 C ATOM 1231 CD GLU A 82 -1.379 13.961 -2.362 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -2.054 13.909 -3.413 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -1.002 15.001 -1.782 1.00 0.00 O ATOM 0 H GLU A 82 -0.100 9.889 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.831 10.994 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.040 11.890 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.778 12.876 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.771 11.895 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.863 12.751 -0.652 1.00 0.00 H new ATOM 1240 N LEU A 83 2.376 10.228 -3.588 1.00 0.00 N ATOM 1241 CA LEU A 83 3.551 9.965 -4.402 1.00 0.00 C ATOM 1242 C LEU A 83 3.209 8.915 -5.461 1.00 0.00 C ATOM 1243 O LEU A 83 3.453 9.123 -6.648 1.00 0.00 O ATOM 1244 CB LEU A 83 4.739 9.582 -3.518 1.00 0.00 C ATOM 1245 CG LEU A 83 5.703 10.716 -3.160 1.00 0.00 C ATOM 1246 CD1 LEU A 83 4.980 11.831 -2.402 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.911 10.186 -2.385 1.00 0.00 C ATOM 0 H LEU A 83 2.514 10.100 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 83 3.855 10.866 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.354 9.153 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.304 8.798 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 83 6.080 11.148 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.687 12.624 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.181 12.235 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.556 11.430 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.579 11.012 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.573 9.712 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.443 9.456 -2.995 1.00 0.00 H new ATOM 1259 N PHE A 84 2.648 7.810 -4.992 1.00 0.00 N ATOM 1260 CA PHE A 84 2.270 6.727 -5.884 1.00 0.00 C ATOM 1261 C PHE A 84 1.424 7.246 -7.049 1.00 0.00 C ATOM 1262 O PHE A 84 1.776 7.051 -8.211 1.00 0.00 O ATOM 1263 CB PHE A 84 1.436 5.742 -5.063 1.00 0.00 C ATOM 1264 CG PHE A 84 0.872 4.575 -5.876 1.00 0.00 C ATOM 1265 CD1 PHE A 84 -0.341 4.690 -6.480 1.00 0.00 C ATOM 1266 CD2 PHE A 84 1.584 3.422 -5.995 1.00 0.00 C ATOM 1267 CE1 PHE A 84 -0.864 3.607 -7.235 1.00 0.00 C ATOM 1268 CE2 PHE A 84 1.061 2.339 -6.749 1.00 0.00 C ATOM 1269 CZ PHE A 84 -0.152 2.454 -7.354 1.00 0.00 C ATOM 0 H PHE A 84 2.446 7.641 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 84 3.162 6.258 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.052 5.345 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.610 6.280 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.907 5.605 -6.385 1.00 0.00 H new ATOM 0 HD2 PHE A 84 2.547 3.331 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.827 3.699 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.626 1.423 -6.842 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.550 1.630 -7.928 1.00 0.00 H new ATOM 1279 N VAL A 85 0.325 7.897 -6.696 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.574 8.445 -7.697 1.00 0.00 C ATOM 1281 C VAL A 85 0.207 9.388 -8.616 1.00 0.00 C ATOM 1282 O VAL A 85 0.291 9.157 -9.821 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.764 9.123 -7.017 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -2.877 9.418 -8.025 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.287 8.276 -5.855 1.00 0.00 C ATOM 0 H VAL A 85 0.037 8.057 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.983 7.649 -8.319 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.420 10.074 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.711 9.900 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.497 10.079 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.217 8.485 -8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.133 8.781 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.606 7.303 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.495 8.140 -5.119 1.00 0.00 H new ATOM 1295 N GLU A 86 0.757 10.430 -8.010 1.00 0.00 N ATOM 1296 CA GLU A 86 1.528 11.408 -8.758 1.00 0.00 C ATOM 1297 C GLU A 86 2.339 10.718 -9.857 1.00 0.00 C ATOM 1298 O GLU A 86 2.279 11.115 -11.020 1.00 0.00 O ATOM 1299 CB GLU A 86 2.438 12.216 -7.830 1.00 0.00 C ATOM 1300 CG GLU A 86 2.657 13.630 -8.371 1.00 0.00 C ATOM 1301 CD GLU A 86 4.109 13.831 -8.809 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.407 13.470 -9.968 1.00 0.00 O ATOM 1303 OE2 GLU A 86 4.888 14.341 -7.975 1.00 0.00 O ATOM 0 H GLU A 86 0.684 10.618 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 86 0.834 12.104 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.995 12.268 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.398 11.710 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.991 13.807 -9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.400 14.360 -7.604 1.00 0.00 H new ATOM 1310 N ALA A 87 3.079 9.697 -9.449 1.00 0.00 N ATOM 1311 CA ALA A 87 3.901 8.948 -10.384 1.00 0.00 C ATOM 1312 C ALA A 87 2.997 8.213 -11.375 1.00 0.00 C ATOM 1313 O ALA A 87 3.145 8.365 -12.587 1.00 0.00 O ATOM 1314 CB ALA A 87 4.815 7.995 -9.611 1.00 0.00 C ATOM 0 H ALA A 87 3.126 9.371 -8.484 1.00 0.00 H new ATOM 0 HA ALA A 87 4.540 9.620 -10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.432 7.433 -10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.457 8.569 -8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.208 7.303 -9.026 1.00 0.00 H new ATOM 1320 N VAL A 88 2.080 7.431 -10.824 1.00 0.00 N ATOM 1321 CA VAL A 88 1.152 6.672 -11.645 1.00 0.00 C ATOM 1322 C VAL A 88 0.607 7.572 -12.756 1.00 0.00 C ATOM 1323 O VAL A 88 0.588 7.182 -13.922 1.00 0.00 O ATOM 1324 CB VAL A 88 0.051 6.069 -10.769 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.067 5.474 -11.627 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.624 5.023 -9.811 1.00 0.00 C ATOM 0 H VAL A 88 1.960 7.307 -9.819 1.00 0.00 H new ATOM 0 HA VAL A 88 1.661 5.836 -12.125 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.378 6.872 -10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.837 5.052 -10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.504 6.256 -12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.658 4.690 -12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.179 4.610 -9.200 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.092 4.223 -10.384 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.368 5.490 -9.165 1.00 0.00 H new ATOM 1336 N GLU A 89 0.176 8.759 -12.355 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.368 9.717 -13.302 1.00 0.00 C ATOM 1338 C GLU A 89 0.679 10.069 -14.361 1.00 0.00 C ATOM 1339 O GLU A 89 0.378 10.086 -15.554 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.866 10.973 -12.585 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.942 10.626 -11.554 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.280 11.274 -11.918 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.281 12.511 -12.096 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -4.271 10.517 -12.009 1.00 0.00 O ATOM 0 H GLU A 89 0.193 9.079 -11.387 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.222 9.260 -13.802 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.031 11.469 -12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.269 11.676 -13.314 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.061 9.544 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.627 10.964 -10.567 1.00 0.00 H new ATOM 1351 N GLN A 90 1.886 10.341 -13.887 1.00 0.00 N ATOM 1352 CA GLN A 90 2.978 10.691 -14.779 1.00 0.00 C ATOM 1353 C GLN A 90 3.546 9.435 -15.442 1.00 0.00 C ATOM 1354 O GLN A 90 4.462 9.520 -16.259 1.00 0.00 O ATOM 1355 CB GLN A 90 4.071 11.458 -14.032 1.00 0.00 C ATOM 1356 CG GLN A 90 3.542 12.795 -13.507 1.00 0.00 C ATOM 1357 CD GLN A 90 2.992 13.653 -14.648 1.00 0.00 C ATOM 1358 OE1 GLN A 90 3.717 14.349 -15.340 1.00 0.00 O ATOM 1359 NE2 GLN A 90 1.675 13.566 -14.805 1.00 0.00 N ATOM 0 H GLN A 90 2.132 10.326 -12.897 1.00 0.00 H new ATOM 0 HA GLN A 90 2.588 11.345 -15.559 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.439 10.857 -13.201 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.917 11.633 -14.697 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.758 12.616 -12.771 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.342 13.332 -12.997 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.127 12.964 -14.191 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.213 14.101 -15.540 1.00 0.00 H new ATOM 1368 N ASP A 91 2.978 8.298 -15.066 1.00 0.00 N ATOM 1369 CA ASP A 91 3.416 7.026 -15.615 1.00 0.00 C ATOM 1370 C ASP A 91 4.837 6.729 -15.131 1.00 0.00 C ATOM 1371 O ASP A 91 5.500 5.833 -15.652 1.00 0.00 O ATOM 1372 CB ASP A 91 3.436 7.062 -17.144 1.00 0.00 C ATOM 1373 CG ASP A 91 2.948 5.784 -17.828 1.00 0.00 C ATOM 1374 OD1 ASP A 91 2.494 4.883 -17.089 1.00 0.00 O ATOM 1375 OD2 ASP A 91 3.040 5.735 -19.073 1.00 0.00 O ATOM 0 H ASP A 91 2.219 8.231 -14.388 1.00 0.00 H new ATOM 0 HA ASP A 91 2.718 6.258 -15.282 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.818 7.895 -17.481 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.454 7.267 -17.474 1.00 0.00 H new ATOM 1380 N THR A 92 5.263 7.498 -14.140 1.00 0.00 N ATOM 1381 CA THR A 92 6.594 7.329 -13.580 1.00 0.00 C ATOM 1382 C THR A 92 6.543 6.420 -12.351 1.00 0.00 C ATOM 1383 O THR A 92 7.377 6.535 -11.454 1.00 0.00 O ATOM 1384 CB THR A 92 7.163 8.718 -13.285 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.205 9.308 -12.410 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.152 9.629 -14.515 1.00 0.00 C ATOM 0 H THR A 92 4.710 8.240 -13.710 1.00 0.00 H new ATOM 0 HA THR A 92 7.260 6.833 -14.286 1.00 0.00 H new ATOM 0 HB THR A 92 8.183 8.620 -12.914 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.497 10.212 -12.167 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.566 10.602 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.754 9.181 -15.305 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.128 9.754 -14.866 1.00 0.00 H new ATOM 1394 N LEU A 93 5.555 5.537 -12.348 1.00 0.00 N ATOM 1395 CA LEU A 93 5.385 4.608 -11.243 1.00 0.00 C ATOM 1396 C LEU A 93 6.624 3.718 -11.135 1.00 0.00 C ATOM 1397 O LEU A 93 6.983 3.276 -10.045 1.00 0.00 O ATOM 1398 CB LEU A 93 4.078 3.828 -11.396 1.00 0.00 C ATOM 1399 CG LEU A 93 3.707 2.906 -10.232 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.403 3.713 -8.969 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.550 1.980 -10.614 1.00 0.00 C ATOM 0 H LEU A 93 4.864 5.445 -13.093 1.00 0.00 H new ATOM 0 HA LEU A 93 5.298 5.148 -10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.267 4.542 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.140 3.228 -12.304 1.00 0.00 H new ATOM 0 HG LEU A 93 4.566 2.273 -10.010 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.142 3.034 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.282 4.294 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.568 4.387 -9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.306 1.335 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.678 2.578 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.841 1.367 -11.467 1.00 0.00 H new ATOM 1413 N GLN A 94 7.245 3.480 -12.282 1.00 0.00 N ATOM 1414 CA GLN A 94 8.437 2.650 -12.330 1.00 0.00 C ATOM 1415 C GLN A 94 9.618 3.380 -11.688 1.00 0.00 C ATOM 1416 O GLN A 94 10.224 2.877 -10.743 1.00 0.00 O ATOM 1417 CB GLN A 94 8.761 2.240 -13.767 1.00 0.00 C ATOM 1418 CG GLN A 94 7.779 1.180 -14.270 1.00 0.00 C ATOM 1419 CD GLN A 94 6.498 1.827 -14.800 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.522 2.746 -15.602 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.381 1.298 -14.309 1.00 0.00 N ATOM 0 H GLN A 94 6.945 3.848 -13.185 1.00 0.00 H new ATOM 0 HA GLN A 94 8.246 1.740 -11.762 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.721 3.115 -14.416 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.778 1.852 -13.817 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.247 0.591 -15.059 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.535 0.492 -13.461 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.432 0.529 -13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.474 1.661 -14.601 1.00 0.00 H new ATOM 1430 N GLU A 95 9.910 4.555 -12.227 1.00 0.00 N ATOM 1431 CA GLU A 95 11.009 5.359 -11.719 1.00 0.00 C ATOM 1432 C GLU A 95 10.804 5.658 -10.232 1.00 0.00 C ATOM 1433 O GLU A 95 11.768 5.888 -9.503 1.00 0.00 O ATOM 1434 CB GLU A 95 11.159 6.652 -12.522 1.00 0.00 C ATOM 1435 CG GLU A 95 12.009 6.425 -13.774 1.00 0.00 C ATOM 1436 CD GLU A 95 11.621 7.402 -14.885 1.00 0.00 C ATOM 1437 OE1 GLU A 95 11.927 8.603 -14.717 1.00 0.00 O ATOM 1438 OE2 GLU A 95 11.028 6.927 -15.878 1.00 0.00 O ATOM 0 H GLU A 95 9.405 4.969 -13.010 1.00 0.00 H new ATOM 0 HA GLU A 95 11.932 4.791 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.175 7.022 -12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.620 7.419 -11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.064 6.548 -13.529 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.880 5.401 -14.124 1.00 0.00 H new ATOM 1445 N PHE A 96 9.543 5.644 -9.826 1.00 0.00 N ATOM 1446 CA PHE A 96 9.200 5.910 -8.440 1.00 0.00 C ATOM 1447 C PHE A 96 9.717 4.799 -7.524 1.00 0.00 C ATOM 1448 O PHE A 96 10.446 5.065 -6.570 1.00 0.00 O ATOM 1449 CB PHE A 96 7.673 5.954 -8.357 1.00 0.00 C ATOM 1450 CG PHE A 96 7.127 5.961 -6.928 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.551 6.903 -6.043 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.217 5.027 -6.542 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.044 6.911 -4.717 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.710 5.034 -5.216 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.135 5.976 -4.331 1.00 0.00 C ATOM 0 H PHE A 96 8.746 5.452 -10.433 1.00 0.00 H new ATOM 0 HA PHE A 96 9.652 6.848 -8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.317 6.844 -8.875 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.266 5.093 -8.886 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.274 7.645 -6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.880 4.279 -7.245 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.380 7.660 -4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.987 4.292 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.750 5.981 -3.322 1.00 0.00 H new ATOM 1465 N LEU A 97 9.319 3.577 -7.846 1.00 0.00 N ATOM 1466 CA LEU A 97 9.733 2.425 -7.064 1.00 0.00 C ATOM 1467 C LEU A 97 11.116 1.967 -7.531 1.00 0.00 C ATOM 1468 O LEU A 97 11.943 2.786 -7.928 1.00 0.00 O ATOM 1469 CB LEU A 97 8.669 1.327 -7.124 1.00 0.00 C ATOM 1470 CG LEU A 97 7.215 1.802 -7.148 1.00 0.00 C ATOM 1471 CD1 LEU A 97 6.354 0.888 -8.022 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.657 1.930 -5.729 1.00 0.00 C ATOM 0 H LEU A 97 8.714 3.360 -8.638 1.00 0.00 H new ATOM 0 HA LEU A 97 9.824 2.692 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.848 0.724 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.802 0.672 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 97 7.187 2.795 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.325 1.248 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.739 0.891 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.383 -0.127 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.622 2.269 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.700 0.961 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.251 2.652 -5.168 1.00 0.00 H new ATOM 1484 N LYS A 98 11.324 0.660 -7.467 1.00 0.00 N ATOM 1485 CA LYS A 98 12.593 0.084 -7.879 1.00 0.00 C ATOM 1486 C LYS A 98 12.335 -1.048 -8.876 1.00 0.00 C ATOM 1487 O LYS A 98 12.445 -2.223 -8.529 1.00 0.00 O ATOM 1488 CB LYS A 98 13.407 -0.347 -6.657 1.00 0.00 C ATOM 1489 CG LYS A 98 14.401 0.743 -6.249 1.00 0.00 C ATOM 1490 CD LYS A 98 13.697 1.872 -5.492 1.00 0.00 C ATOM 1491 CE LYS A 98 14.404 2.169 -4.169 1.00 0.00 C ATOM 1492 NZ LYS A 98 13.930 3.453 -3.605 1.00 0.00 N ATOM 0 H LYS A 98 10.636 -0.016 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 98 13.201 0.829 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.736 -0.562 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.944 -1.269 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 98 15.182 0.312 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.890 1.145 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.678 2.771 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.660 1.595 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.216 1.362 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.482 2.210 -4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.420 3.640 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.131 4.222 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.905 3.401 -3.436 1.00 0.00 H new ATOM 1506 N LEU A 99 11.997 -0.654 -10.095 1.00 0.00 N ATOM 1507 CA LEU A 99 11.722 -1.620 -11.144 1.00 0.00 C ATOM 1508 C LEU A 99 12.623 -1.330 -12.347 1.00 0.00 C ATOM 1509 O LEU A 99 13.197 -2.247 -12.932 1.00 0.00 O ATOM 1510 CB LEU A 99 10.230 -1.635 -11.482 1.00 0.00 C ATOM 1511 CG LEU A 99 9.294 -1.074 -10.410 1.00 0.00 C ATOM 1512 CD1 LEU A 99 9.466 -1.822 -9.087 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.490 0.434 -10.245 1.00 0.00 C ATOM 0 H LEU A 99 11.907 0.321 -10.379 1.00 0.00 H new ATOM 0 HA LEU A 99 11.958 -2.629 -10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.080 -1.067 -12.400 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.935 -2.663 -11.691 1.00 0.00 H new ATOM 0 HG LEU A 99 8.266 -1.231 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.789 -1.404 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.237 -2.878 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.495 -1.719 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.812 0.807 -9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.520 0.637 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.278 0.934 -11.190 1.00 0.00 H new ATOM 1525 N ALA A 100 12.717 -0.051 -12.680 1.00 0.00 N ATOM 1526 CA ALA A 100 13.538 0.371 -13.803 1.00 0.00 C ATOM 1527 C ALA A 100 14.675 1.258 -13.292 1.00 0.00 C ATOM 1528 O ALA A 100 15.293 1.987 -14.066 1.00 0.00 O ATOM 1529 CB ALA A 100 12.662 1.083 -14.836 1.00 0.00 C ATOM 0 H ALA A 100 12.239 0.707 -12.192 1.00 0.00 H new ATOM 0 HA ALA A 100 13.988 -0.491 -14.296 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.277 1.400 -15.678 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.888 0.401 -15.188 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.196 1.956 -14.378 1.00 0.00 H new