USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 569 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 60 HIS :FLIP no HD1:sc= -2.19 F(o=-3.6,f=-2.2) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc= -0.0236 F(o=-3.3,f=-2.2) USER MOD Set 2.1: A 16 CYS SG : rot 162:sc= -0.296 USER MOD Set 2.2: A 19 CYS SG : rot -79:sc= 0.495 USER MOD Set 2.3: A 21 THR OG1 : rot 107:sc= 1.06 USER MOD Set 2.4: A 41 CYS SG : rot 180:sc= 0.236 USER MOD Set 2.5: A 43 HIS : no HD1:sc= 0 X(o=-0.86,f=-0.87) USER MOD Set 2.6: A 44 CYS SG : rot -66:sc= -2.36! USER MOD Set 3.1: A 11 MET CE :methyl -133:sc= 0 (180deg=-0.0447) USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 167:sc= -3.26 (180deg=-3.91!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.283) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00519 X(o=-0.0052,f=-0.0052) USER MOD Single : A 23 SER OG : rot -109:sc= -0.764 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 25 HIS : no HD1:sc= -0.718 X(o=-0.72,f=-0.73) USER MOD Single : A 27 MET CE :methyl -155:sc= -2.54 (180deg=-5.75!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -2.98 K(o=-3,f=-9.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -140:sc= -0.106 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-4.9!) USER MOD Single : A 53 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0064) USER MOD Single : A 58 HIS : no HD1:sc= -0.244 X(o=-0.24,f=0.0017) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 66 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.39) USER MOD Single : A 68 MET CE :methyl 180:sc= -0.247 (180deg=-0.247) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.427 -20.376 -2.947 1.00 0.00 N ATOM 118 CA LYS A 9 -4.110 -21.061 -1.855 1.00 0.00 C ATOM 119 C LYS A 9 -3.130 -21.902 -1.044 1.00 0.00 C ATOM 120 O LYS A 9 -2.010 -22.162 -1.482 1.00 0.00 O ATOM 121 CB LYS A 9 -5.229 -21.949 -2.404 1.00 0.00 C ATOM 122 CG LYS A 9 -4.784 -22.859 -3.536 1.00 0.00 C ATOM 123 CD LYS A 9 -5.920 -23.745 -4.018 1.00 0.00 C ATOM 124 CE LYS A 9 -6.867 -22.988 -4.936 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.742 -23.910 -5.712 1.00 0.00 N ATOM 0 HA LYS A 9 -4.543 -20.306 -1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.627 -22.559 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.044 -21.316 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.415 -22.256 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.954 -23.481 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.512 -24.607 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.472 -24.129 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.485 -22.313 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.290 -22.370 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.373 -23.356 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.153 -24.537 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.312 -24.482 -5.056 1.00 0.00 H new ATOM 139 N MET A 10 -3.561 -22.326 0.140 1.00 0.00 N ATOM 140 CA MET A 10 -2.722 -23.141 1.011 1.00 0.00 C ATOM 141 C MET A 10 -3.517 -24.299 1.605 1.00 0.00 C ATOM 142 O MET A 10 -4.678 -24.138 1.981 1.00 0.00 O ATOM 143 CB MET A 10 -2.131 -22.284 2.133 1.00 0.00 C ATOM 144 CG MET A 10 -3.126 -21.310 2.742 1.00 0.00 C ATOM 145 SD MET A 10 -2.848 -21.043 4.503 1.00 0.00 S ATOM 146 CE MET A 10 -4.071 -22.144 5.210 1.00 0.00 C ATOM 0 H MET A 10 -4.486 -22.119 0.518 1.00 0.00 H new ATOM 0 HA MET A 10 -1.910 -23.552 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.750 -22.939 2.917 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.280 -21.725 1.743 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.061 -20.356 2.219 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.137 -21.688 2.591 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.875 -22.269 6.275 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.066 -21.720 5.071 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.017 -23.113 4.715 1.00 0.00 H new ATOM 156 N MET A 11 -2.886 -25.465 1.687 1.00 0.00 N ATOM 157 CA MET A 11 -3.536 -26.649 2.236 1.00 0.00 C ATOM 158 C MET A 11 -3.257 -26.778 3.731 1.00 0.00 C ATOM 159 O MET A 11 -2.120 -26.618 4.175 1.00 0.00 O ATOM 160 CB MET A 11 -3.057 -27.905 1.506 1.00 0.00 C ATOM 161 CG MET A 11 -4.111 -28.997 1.420 1.00 0.00 C ATOM 162 SD MET A 11 -3.511 -30.478 0.584 1.00 0.00 S ATOM 163 CE MET A 11 -3.543 -29.939 -1.124 1.00 0.00 C ATOM 0 H MET A 11 -1.925 -25.616 1.380 1.00 0.00 H new ATOM 0 HA MET A 11 -4.611 -26.542 2.092 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.745 -27.633 0.498 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.178 -28.299 2.016 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.439 -29.260 2.426 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.983 -28.614 0.890 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.016 -30.705 -1.739 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.109 -29.011 -1.202 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.524 -29.773 -1.472 1.00 0.00 H new ATOM 173 N ILE A 12 -4.301 -27.068 4.500 1.00 0.00 N ATOM 174 CA ILE A 12 -4.167 -27.219 5.943 1.00 0.00 C ATOM 175 C ILE A 12 -5.130 -28.274 6.477 1.00 0.00 C ATOM 176 O ILE A 12 -6.342 -28.177 6.285 1.00 0.00 O ATOM 177 CB ILE A 12 -4.424 -25.888 6.675 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.701 -25.229 6.147 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.234 -24.955 6.511 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.604 -24.700 7.239 1.00 0.00 C ATOM 0 H ILE A 12 -5.249 -27.203 4.148 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.142 -27.537 6.133 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.556 -26.094 7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.429 -24.409 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.254 -25.954 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.431 -24.019 7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.344 -25.424 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.074 -24.752 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.489 -24.247 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.906 -25.520 7.890 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.069 -23.951 7.823 1.00 0.00 H new ATOM 192 N ALA A 13 -4.582 -29.280 7.151 1.00 0.00 N ATOM 193 CA ALA A 13 -5.393 -30.351 7.716 1.00 0.00 C ATOM 194 C ALA A 13 -5.696 -30.092 9.188 1.00 0.00 C ATOM 195 O ALA A 13 -4.813 -29.706 9.955 1.00 0.00 O ATOM 196 CB ALA A 13 -4.690 -31.690 7.548 1.00 0.00 C ATOM 0 H ALA A 13 -3.580 -29.375 7.319 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.340 -30.380 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.307 -32.481 7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.530 -31.886 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.729 -31.663 8.061 1.00 0.00 H new ATOM 202 N PHE A 14 -6.948 -30.306 9.577 1.00 0.00 N ATOM 203 CA PHE A 14 -7.368 -30.094 10.957 1.00 0.00 C ATOM 204 C PHE A 14 -8.035 -31.345 11.521 1.00 0.00 C ATOM 205 O PHE A 14 -8.834 -31.995 10.847 1.00 0.00 O ATOM 206 CB PHE A 14 -8.329 -28.906 11.043 1.00 0.00 C ATOM 207 CG PHE A 14 -9.776 -29.308 11.091 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.482 -29.541 9.922 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.428 -29.455 12.304 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.813 -29.910 9.962 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.760 -29.824 12.351 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.453 -30.053 11.178 1.00 0.00 C ATOM 0 H PHE A 14 -7.690 -30.626 8.955 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.480 -29.878 11.552 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.093 -28.321 11.932 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.169 -28.256 10.183 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.986 -29.433 8.969 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.890 -29.279 13.224 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.353 -30.087 9.043 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.258 -29.933 13.303 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.493 -30.343 11.212 1.00 0.00 H new ATOM 222 N THR A 15 -7.700 -31.677 12.765 1.00 0.00 N ATOM 223 CA THR A 15 -8.264 -32.850 13.420 1.00 0.00 C ATOM 224 C THR A 15 -9.630 -32.540 14.021 1.00 0.00 C ATOM 225 O THR A 15 -9.732 -31.828 15.020 1.00 0.00 O ATOM 226 CB THR A 15 -7.334 -33.374 14.531 1.00 0.00 C ATOM 227 OG1 THR A 15 -6.000 -33.509 14.029 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.822 -34.716 15.056 1.00 0.00 C ATOM 0 H THR A 15 -7.041 -31.150 13.338 1.00 0.00 H new ATOM 0 HA THR A 15 -8.373 -33.618 12.655 1.00 0.00 H new ATOM 0 HB THR A 15 -7.342 -32.656 15.351 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.414 -33.841 14.741 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.150 -35.066 15.839 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.827 -34.604 15.463 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.839 -35.441 14.242 1.00 0.00 H new ATOM 236 N CYS A 16 -10.677 -33.080 13.408 1.00 0.00 N ATOM 237 CA CYS A 16 -12.039 -32.861 13.883 1.00 0.00 C ATOM 238 C CYS A 16 -12.262 -33.546 15.227 1.00 0.00 C ATOM 239 O CYS A 16 -12.344 -34.772 15.306 1.00 0.00 O ATOM 240 CB CYS A 16 -13.049 -33.380 12.858 1.00 0.00 C ATOM 241 SG CYS A 16 -14.674 -32.595 12.961 1.00 0.00 S ATOM 0 H CYS A 16 -10.609 -33.673 12.581 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.184 -31.789 14.014 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.646 -33.227 11.857 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.167 -34.455 12.993 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.324 -32.797 11.854 1.00 0.00 H new ATOM 246 N LYS A 17 -12.359 -32.747 16.284 1.00 0.00 N ATOM 247 CA LYS A 17 -12.573 -33.275 17.626 1.00 0.00 C ATOM 248 C LYS A 17 -13.992 -33.812 17.780 1.00 0.00 C ATOM 249 O LYS A 17 -14.312 -34.476 18.766 1.00 0.00 O ATOM 250 CB LYS A 17 -12.311 -32.188 18.671 1.00 0.00 C ATOM 251 CG LYS A 17 -10.958 -31.515 18.523 1.00 0.00 C ATOM 252 CD LYS A 17 -9.820 -32.480 18.809 1.00 0.00 C ATOM 253 CE LYS A 17 -9.357 -32.384 20.255 1.00 0.00 C ATOM 254 NZ LYS A 17 -10.101 -33.322 21.140 1.00 0.00 N ATOM 0 H LYS A 17 -12.293 -31.730 16.237 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.874 -34.097 17.782 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.093 -31.432 18.600 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.382 -32.628 19.666 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.856 -31.120 17.512 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.896 -30.666 19.204 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.144 -33.499 18.596 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.984 -32.266 18.143 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.290 -32.602 20.310 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.492 -31.363 20.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.582 -33.442 22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.046 -32.936 21.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.195 -34.244 20.668 1.00 0.00 H new ATOM 268 N LYS A 18 -14.839 -33.521 16.799 1.00 0.00 N ATOM 269 CA LYS A 18 -16.224 -33.977 16.823 1.00 0.00 C ATOM 270 C LYS A 18 -16.308 -35.477 16.563 1.00 0.00 C ATOM 271 O LYS A 18 -16.858 -36.227 17.371 1.00 0.00 O ATOM 272 CB LYS A 18 -17.050 -33.221 15.780 1.00 0.00 C ATOM 273 CG LYS A 18 -17.109 -31.722 16.020 1.00 0.00 C ATOM 274 CD LYS A 18 -18.251 -31.079 15.251 1.00 0.00 C ATOM 275 CE LYS A 18 -19.588 -31.314 15.936 1.00 0.00 C ATOM 276 NZ LYS A 18 -19.930 -30.213 16.878 1.00 0.00 N ATOM 0 H LYS A 18 -14.591 -32.971 15.977 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.629 -33.775 17.815 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.629 -33.406 14.792 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.064 -33.620 15.774 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.232 -31.528 17.086 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.165 -31.267 15.720 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.071 -30.008 15.160 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.283 -31.484 14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.371 -31.404 15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.557 -32.259 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.848 -30.411 17.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.196 -30.143 17.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.985 -29.315 16.357 1.00 0.00 H new ATOM 290 N CYS A 19 -15.759 -35.909 15.433 1.00 0.00 N ATOM 291 CA CYS A 19 -15.771 -37.321 15.068 1.00 0.00 C ATOM 292 C CYS A 19 -14.355 -37.887 15.039 1.00 0.00 C ATOM 293 O CYS A 19 -14.107 -38.935 14.444 1.00 0.00 O ATOM 294 CB CYS A 19 -16.437 -37.510 13.704 1.00 0.00 C ATOM 295 SG CYS A 19 -15.792 -36.423 12.411 1.00 0.00 S ATOM 0 H CYS A 19 -15.300 -35.302 14.754 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.343 -37.862 15.822 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.310 -38.546 13.390 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.508 -37.338 13.808 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.313 -35.239 12.540 1.00 0.00 H new ATOM 300 N ASN A 20 -13.430 -37.186 15.686 1.00 0.00 N ATOM 301 CA ASN A 20 -12.038 -37.618 15.733 1.00 0.00 C ATOM 302 C ASN A 20 -11.526 -37.957 14.336 1.00 0.00 C ATOM 303 O ASN A 20 -10.680 -38.837 14.169 1.00 0.00 O ATOM 304 CB ASN A 20 -11.889 -38.833 16.652 1.00 0.00 C ATOM 305 CG ASN A 20 -10.496 -38.948 17.238 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.707 -39.800 16.831 1.00 0.00 O ATOM 307 ND2 ASN A 20 -10.187 -38.087 18.201 1.00 0.00 N ATOM 0 H ASN A 20 -13.619 -36.317 16.185 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.442 -36.796 16.130 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.616 -38.764 17.461 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.120 -39.739 16.092 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.264 -38.116 18.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.873 -37.397 18.507 1.00 0.00 H new ATOM 314 N THR A 21 -12.044 -37.253 13.335 1.00 0.00 N ATOM 315 CA THR A 21 -11.641 -37.479 11.953 1.00 0.00 C ATOM 316 C THR A 21 -10.792 -36.325 11.432 1.00 0.00 C ATOM 317 O THR A 21 -11.107 -35.157 11.661 1.00 0.00 O ATOM 318 CB THR A 21 -12.863 -37.657 11.033 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.730 -38.668 11.560 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.430 -38.038 9.625 1.00 0.00 C ATOM 0 H THR A 21 -12.744 -36.521 13.456 1.00 0.00 H new ATOM 0 HA THR A 21 -11.051 -38.395 11.942 1.00 0.00 H new ATOM 0 HB THR A 21 -13.397 -36.708 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.533 -38.248 11.933 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.310 -38.158 8.994 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.794 -37.253 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.875 -38.976 9.656 1.00 0.00 H new ATOM 328 N ARG A 22 -9.714 -36.659 10.730 1.00 0.00 N ATOM 329 CA ARG A 22 -8.819 -35.650 10.178 1.00 0.00 C ATOM 330 C ARG A 22 -8.978 -35.552 8.663 1.00 0.00 C ATOM 331 O ARG A 22 -9.205 -36.555 7.987 1.00 0.00 O ATOM 332 CB ARG A 22 -7.366 -35.978 10.528 1.00 0.00 C ATOM 333 CG ARG A 22 -6.484 -34.750 10.680 1.00 0.00 C ATOM 334 CD ARG A 22 -5.152 -35.098 11.328 1.00 0.00 C ATOM 335 NE ARG A 22 -4.041 -34.991 10.386 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.698 -35.957 9.542 1.00 0.00 C ATOM 337 NH1 ARG A 22 -4.377 -37.096 9.521 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.675 -35.785 8.715 1.00 0.00 N ATOM 0 H ARG A 22 -9.440 -37.621 10.530 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.083 -34.688 10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.345 -36.547 11.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.950 -36.620 9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.308 -34.303 9.701 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.999 -34.003 11.283 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.976 -34.433 12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.195 -36.113 11.724 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.499 -34.127 10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.165 -37.232 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.111 -37.836 8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.151 -34.910 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.412 -36.528 8.067 1.00 0.00 H new ATOM 352 N SER A 23 -8.859 -34.337 8.138 1.00 0.00 N ATOM 353 CA SER A 23 -8.994 -34.108 6.704 1.00 0.00 C ATOM 354 C SER A 23 -8.257 -32.839 6.285 1.00 0.00 C ATOM 355 O SER A 23 -8.088 -31.915 7.080 1.00 0.00 O ATOM 356 CB SER A 23 -10.471 -34.003 6.320 1.00 0.00 C ATOM 357 OG SER A 23 -10.624 -33.830 4.922 1.00 0.00 O ATOM 0 H SER A 23 -8.669 -33.496 8.684 1.00 0.00 H new ATOM 0 HA SER A 23 -8.549 -34.955 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.997 -34.903 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.928 -33.164 6.845 1.00 0.00 H new ATOM 0 HG SER A 23 -10.931 -32.918 4.737 1.00 0.00 H new ATOM 363 N SER A 24 -7.821 -32.804 5.030 1.00 0.00 N ATOM 364 CA SER A 24 -7.098 -31.651 4.504 1.00 0.00 C ATOM 365 C SER A 24 -8.030 -30.743 3.708 1.00 0.00 C ATOM 366 O SER A 24 -8.949 -31.212 3.036 1.00 0.00 O ATOM 367 CB SER A 24 -5.936 -32.110 3.621 1.00 0.00 C ATOM 368 OG SER A 24 -6.112 -33.453 3.204 1.00 0.00 O ATOM 0 H SER A 24 -7.955 -33.560 4.359 1.00 0.00 H new ATOM 0 HA SER A 24 -6.702 -31.086 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.860 -31.462 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.999 -32.016 4.170 1.00 0.00 H new ATOM 0 HG SER A 24 -5.357 -33.722 2.640 1.00 0.00 H new ATOM 374 N HIS A 25 -7.785 -29.439 3.787 1.00 0.00 N ATOM 375 CA HIS A 25 -8.601 -28.463 3.074 1.00 0.00 C ATOM 376 C HIS A 25 -7.740 -27.324 2.536 1.00 0.00 C ATOM 377 O HIS A 25 -6.927 -26.749 3.261 1.00 0.00 O ATOM 378 CB HIS A 25 -9.688 -27.906 3.993 1.00 0.00 C ATOM 379 CG HIS A 25 -10.250 -28.921 4.940 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.415 -29.617 4.693 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.799 -29.358 6.139 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.657 -30.436 5.701 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.691 -30.299 6.591 1.00 0.00 N ATOM 0 H HIS A 25 -7.028 -29.034 4.338 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.073 -28.968 2.231 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.277 -27.075 4.566 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.497 -27.503 3.383 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.904 -29.028 6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.502 -31.104 5.783 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.619 -30.809 7.471 1.00 0.00 H new ATOM 391 N THR A 26 -7.923 -27.002 1.259 1.00 0.00 N ATOM 392 CA THR A 26 -7.162 -25.934 0.623 1.00 0.00 C ATOM 393 C THR A 26 -8.014 -24.683 0.445 1.00 0.00 C ATOM 394 O THR A 26 -9.140 -24.752 -0.048 1.00 0.00 O ATOM 395 CB THR A 26 -6.619 -26.371 -0.750 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.359 -27.779 -0.748 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.344 -25.616 -1.093 1.00 0.00 C ATOM 0 H THR A 26 -8.592 -27.466 0.645 1.00 0.00 H new ATOM 0 HA THR A 26 -6.323 -25.709 1.282 1.00 0.00 H new ATOM 0 HB THR A 26 -7.372 -26.142 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.016 -28.049 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.979 -25.942 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.551 -24.546 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.586 -25.818 -0.336 1.00 0.00 H new ATOM 405 N MET A 27 -7.470 -23.539 0.848 1.00 0.00 N ATOM 406 CA MET A 27 -8.182 -22.272 0.731 1.00 0.00 C ATOM 407 C MET A 27 -7.215 -21.132 0.427 1.00 0.00 C ATOM 408 O MET A 27 -6.021 -21.225 0.713 1.00 0.00 O ATOM 409 CB MET A 27 -8.952 -21.973 2.018 1.00 0.00 C ATOM 410 CG MET A 27 -8.054 -21.722 3.219 1.00 0.00 C ATOM 411 SD MET A 27 -7.566 -23.244 4.052 1.00 0.00 S ATOM 412 CE MET A 27 -9.161 -23.872 4.572 1.00 0.00 C ATOM 0 H MET A 27 -6.539 -23.464 1.258 1.00 0.00 H new ATOM 0 HA MET A 27 -8.889 -22.356 -0.094 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.585 -21.100 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.614 -22.810 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.161 -21.188 2.895 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.573 -21.075 3.927 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.032 -24.521 5.438 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.812 -23.038 4.837 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.612 -24.440 3.758 1.00 0.00 H new ATOM 422 N SER A 28 -7.738 -20.057 -0.155 1.00 0.00 N ATOM 423 CA SER A 28 -6.919 -18.901 -0.502 1.00 0.00 C ATOM 424 C SER A 28 -6.156 -18.391 0.717 1.00 0.00 C ATOM 425 O SER A 28 -6.749 -18.077 1.749 1.00 0.00 O ATOM 426 CB SER A 28 -7.794 -17.784 -1.075 1.00 0.00 C ATOM 427 OG SER A 28 -8.110 -18.030 -2.434 1.00 0.00 O ATOM 0 H SER A 28 -8.725 -19.963 -0.396 1.00 0.00 H new ATOM 0 HA SER A 28 -6.197 -19.211 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.713 -17.703 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.275 -16.830 -0.986 1.00 0.00 H new ATOM 0 HG SER A 28 -8.671 -17.303 -2.776 1.00 0.00 H new ATOM 433 N LYS A 29 -4.836 -18.310 0.589 1.00 0.00 N ATOM 434 CA LYS A 29 -3.989 -17.837 1.678 1.00 0.00 C ATOM 435 C LYS A 29 -4.371 -16.418 2.087 1.00 0.00 C ATOM 436 O LYS A 29 -4.387 -16.088 3.273 1.00 0.00 O ATOM 437 CB LYS A 29 -2.517 -17.880 1.262 1.00 0.00 C ATOM 438 CG LYS A 29 -1.572 -18.211 2.404 1.00 0.00 C ATOM 439 CD LYS A 29 -0.872 -16.967 2.926 1.00 0.00 C ATOM 440 CE LYS A 29 0.226 -16.507 1.980 1.00 0.00 C ATOM 441 NZ LYS A 29 1.456 -17.335 2.114 1.00 0.00 N ATOM 0 H LYS A 29 -4.329 -18.566 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.138 -18.496 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.393 -18.621 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.239 -16.914 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.129 -18.683 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.829 -18.933 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.600 -16.166 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.445 -17.173 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.135 -16.557 0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.467 -15.463 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.181 -16.990 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.815 -17.268 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.232 -18.327 1.895 1.00 0.00 H new ATOM 455 N GLN A 30 -4.680 -15.585 1.099 1.00 0.00 N ATOM 456 CA GLN A 30 -5.062 -14.202 1.358 1.00 0.00 C ATOM 457 C GLN A 30 -6.388 -14.135 2.109 1.00 0.00 C ATOM 458 O GLN A 30 -6.559 -13.318 3.014 1.00 0.00 O ATOM 459 CB GLN A 30 -5.167 -13.425 0.044 1.00 0.00 C ATOM 460 CG GLN A 30 -4.737 -11.972 0.161 1.00 0.00 C ATOM 461 CD GLN A 30 -5.208 -11.325 1.449 1.00 0.00 C ATOM 462 OE1 GLN A 30 -4.559 -11.441 2.489 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.342 -10.637 1.386 1.00 0.00 N ATOM 0 H GLN A 30 -4.673 -15.843 0.112 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.290 -13.749 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.553 -13.918 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.197 -13.463 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.650 -11.913 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.130 -11.412 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.848 -10.567 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.707 -10.179 2.221 1.00 0.00 H new ATOM 472 N ALA A 31 -7.322 -15.000 1.728 1.00 0.00 N ATOM 473 CA ALA A 31 -8.632 -15.040 2.367 1.00 0.00 C ATOM 474 C ALA A 31 -8.542 -15.638 3.767 1.00 0.00 C ATOM 475 O ALA A 31 -9.292 -15.257 4.665 1.00 0.00 O ATOM 476 CB ALA A 31 -9.611 -15.833 1.514 1.00 0.00 C ATOM 0 H ALA A 31 -7.196 -15.682 0.980 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.995 -14.016 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.585 -15.855 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.706 -15.361 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.244 -16.852 1.391 1.00 0.00 H new ATOM 482 N TYR A 32 -7.619 -16.578 3.945 1.00 0.00 N ATOM 483 CA TYR A 32 -7.434 -17.231 5.235 1.00 0.00 C ATOM 484 C TYR A 32 -6.737 -16.299 6.222 1.00 0.00 C ATOM 485 O TYR A 32 -7.175 -16.145 7.362 1.00 0.00 O ATOM 486 CB TYR A 32 -6.620 -18.515 5.068 1.00 0.00 C ATOM 487 CG TYR A 32 -6.260 -19.179 6.377 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.098 -18.835 7.057 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.081 -20.152 6.935 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.765 -19.440 8.254 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.756 -20.760 8.132 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.597 -20.401 8.787 1.00 0.00 C ATOM 493 OH TYR A 32 -5.270 -21.006 9.979 1.00 0.00 O ATOM 0 H TYR A 32 -6.988 -16.904 3.213 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.418 -17.481 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.187 -19.218 4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.704 -18.286 4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.444 -18.082 6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.989 -20.438 6.424 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.858 -19.161 8.769 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.406 -21.513 8.553 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.962 -21.659 10.215 1.00 0.00 H new ATOM 503 N GLU A 33 -5.649 -15.681 5.775 1.00 0.00 N ATOM 504 CA GLU A 33 -4.890 -14.764 6.618 1.00 0.00 C ATOM 505 C GLU A 33 -5.624 -13.435 6.774 1.00 0.00 C ATOM 506 O GLU A 33 -5.514 -12.769 7.804 1.00 0.00 O ATOM 507 CB GLU A 33 -3.499 -14.525 6.028 1.00 0.00 C ATOM 508 CG GLU A 33 -2.531 -15.671 6.267 1.00 0.00 C ATOM 509 CD GLU A 33 -1.081 -15.233 6.203 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.833 -14.025 6.009 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.193 -16.100 6.346 1.00 0.00 O ATOM 0 H GLU A 33 -5.273 -15.798 4.834 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.785 -15.219 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.593 -14.358 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.083 -13.614 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.730 -16.112 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.705 -16.449 5.524 1.00 0.00 H new ATOM 518 N LYS A 34 -6.372 -13.055 5.744 1.00 0.00 N ATOM 519 CA LYS A 34 -7.125 -11.806 5.765 1.00 0.00 C ATOM 520 C LYS A 34 -8.554 -12.025 5.279 1.00 0.00 C ATOM 521 O LYS A 34 -8.929 -11.572 4.198 1.00 0.00 O ATOM 522 CB LYS A 34 -6.434 -10.755 4.893 1.00 0.00 C ATOM 523 CG LYS A 34 -5.043 -10.383 5.377 1.00 0.00 C ATOM 524 CD LYS A 34 -5.095 -9.314 6.456 1.00 0.00 C ATOM 525 CE LYS A 34 -5.005 -9.922 7.847 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.466 -8.953 8.841 1.00 0.00 N ATOM 0 H LYS A 34 -6.473 -13.594 4.884 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.160 -11.449 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.366 -11.130 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.051 -9.857 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.543 -11.270 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.448 -10.025 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.276 -8.610 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.022 -8.748 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.994 -10.254 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.366 -10.805 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.420 -9.405 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.512 -8.655 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.089 -8.122 8.888 1.00 0.00 H new ATOM 540 N GLY A 35 -9.349 -12.722 6.086 1.00 0.00 N ATOM 541 CA GLY A 35 -10.729 -12.987 5.720 1.00 0.00 C ATOM 542 C GLY A 35 -11.285 -14.217 6.409 1.00 0.00 C ATOM 543 O GLY A 35 -10.618 -14.824 7.248 1.00 0.00 O ATOM 0 H GLY A 35 -9.062 -13.108 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.342 -12.123 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.797 -13.117 4.640 1.00 0.00 H new ATOM 547 N THR A 36 -12.512 -14.587 6.057 1.00 0.00 N ATOM 548 CA THR A 36 -13.159 -15.751 6.649 1.00 0.00 C ATOM 549 C THR A 36 -13.013 -16.976 5.754 1.00 0.00 C ATOM 550 O THR A 36 -13.023 -16.867 4.528 1.00 0.00 O ATOM 551 CB THR A 36 -14.656 -15.492 6.905 1.00 0.00 C ATOM 552 OG1 THR A 36 -14.825 -14.271 7.633 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.279 -16.642 7.682 1.00 0.00 C ATOM 0 H THR A 36 -13.078 -14.097 5.364 1.00 0.00 H new ATOM 0 HA THR A 36 -12.662 -15.939 7.601 1.00 0.00 H new ATOM 0 HB THR A 36 -15.158 -15.412 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.531 -14.385 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.336 -16.437 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.175 -17.565 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.773 -16.750 8.641 1.00 0.00 H new ATOM 561 N VAL A 37 -12.876 -18.144 6.375 1.00 0.00 N ATOM 562 CA VAL A 37 -12.729 -19.391 5.634 1.00 0.00 C ATOM 563 C VAL A 37 -13.527 -20.515 6.286 1.00 0.00 C ATOM 564 O VAL A 37 -13.477 -20.702 7.502 1.00 0.00 O ATOM 565 CB VAL A 37 -11.252 -19.815 5.536 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.516 -18.955 4.520 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.583 -19.733 6.900 1.00 0.00 C ATOM 0 H VAL A 37 -12.864 -18.252 7.389 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.115 -19.210 4.631 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.211 -20.850 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.474 -19.269 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.982 -19.069 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.564 -17.910 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.540 -20.036 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.633 -18.709 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.096 -20.395 7.597 1.00 0.00 H new ATOM 577 N LEU A 38 -14.263 -21.261 5.470 1.00 0.00 N ATOM 578 CA LEU A 38 -15.072 -22.368 5.966 1.00 0.00 C ATOM 579 C LEU A 38 -14.657 -23.682 5.313 1.00 0.00 C ATOM 580 O LEU A 38 -14.422 -23.739 4.105 1.00 0.00 O ATOM 581 CB LEU A 38 -16.555 -22.101 5.703 1.00 0.00 C ATOM 582 CG LEU A 38 -17.250 -21.153 6.681 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.148 -21.683 8.102 1.00 0.00 C ATOM 584 CD2 LEU A 38 -16.652 -19.757 6.586 1.00 0.00 C ATOM 0 H LEU A 38 -14.316 -21.119 4.461 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.909 -22.450 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.657 -21.693 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.083 -23.054 5.715 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.305 -21.094 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.648 -20.995 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.624 -22.662 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.099 -21.773 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.159 -19.096 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.590 -19.799 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.778 -19.375 5.573 1.00 0.00 H new ATOM 596 N ILE A 39 -14.570 -24.736 6.118 1.00 0.00 N ATOM 597 CA ILE A 39 -14.187 -26.050 5.616 1.00 0.00 C ATOM 598 C ILE A 39 -15.141 -27.129 6.116 1.00 0.00 C ATOM 599 O ILE A 39 -15.587 -27.095 7.263 1.00 0.00 O ATOM 600 CB ILE A 39 -12.751 -26.416 6.036 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.541 -26.121 7.523 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.741 -25.652 5.192 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.591 -27.084 8.201 1.00 0.00 C ATOM 0 H ILE A 39 -14.759 -24.706 7.120 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.237 -25.999 4.528 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.601 -27.483 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.158 -25.107 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.504 -26.155 8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.731 -25.921 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.879 -25.906 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.889 -24.581 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.489 -26.815 9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.983 -28.098 8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.615 -27.033 7.718 1.00 0.00 H new ATOM 615 N SER A 40 -15.449 -28.087 5.248 1.00 0.00 N ATOM 616 CA SER A 40 -16.352 -29.177 5.601 1.00 0.00 C ATOM 617 C SER A 40 -15.575 -30.463 5.862 1.00 0.00 C ATOM 618 O SER A 40 -14.671 -30.820 5.106 1.00 0.00 O ATOM 619 CB SER A 40 -17.373 -29.402 4.484 1.00 0.00 C ATOM 620 OG SER A 40 -18.426 -30.245 4.919 1.00 0.00 O ATOM 0 H SER A 40 -15.087 -28.131 4.295 1.00 0.00 H new ATOM 0 HA SER A 40 -16.878 -28.900 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.780 -28.444 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.880 -29.847 3.620 1.00 0.00 H new ATOM 0 HG SER A 40 -19.066 -30.372 4.188 1.00 0.00 H new ATOM 626 N CYS A 41 -15.934 -31.155 6.938 1.00 0.00 N ATOM 627 CA CYS A 41 -15.271 -32.403 7.301 1.00 0.00 C ATOM 628 C CYS A 41 -15.915 -33.588 6.589 1.00 0.00 C ATOM 629 O CYS A 41 -17.100 -33.877 6.758 1.00 0.00 O ATOM 630 CB CYS A 41 -15.325 -32.611 8.815 1.00 0.00 C ATOM 631 SG CYS A 41 -14.691 -34.213 9.363 1.00 0.00 S ATOM 0 H CYS A 41 -16.680 -30.873 7.574 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.229 -32.337 6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.752 -31.820 9.300 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.358 -32.508 9.149 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.777 -34.294 10.658 1.00 0.00 H new ATOM 636 N PRO A 42 -15.118 -34.292 5.772 1.00 0.00 N ATOM 637 CA PRO A 42 -15.588 -35.457 5.017 1.00 0.00 C ATOM 638 C PRO A 42 -15.883 -36.651 5.917 1.00 0.00 C ATOM 639 O PRO A 42 -15.204 -37.676 5.849 1.00 0.00 O ATOM 640 CB PRO A 42 -14.418 -35.769 4.081 1.00 0.00 C ATOM 641 CG PRO A 42 -13.220 -35.221 4.776 1.00 0.00 C ATOM 642 CD PRO A 42 -13.695 -34.005 5.523 1.00 0.00 C ATOM 0 HA PRO A 42 -16.525 -35.255 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.321 -36.841 3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.557 -35.304 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.794 -35.957 5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.440 -34.960 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.145 -33.864 6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.565 -33.096 4.935 1.00 0.00 H new ATOM 650 N HIS A 43 -16.901 -36.513 6.762 1.00 0.00 N ATOM 651 CA HIS A 43 -17.286 -37.582 7.676 1.00 0.00 C ATOM 652 C HIS A 43 -18.557 -37.215 8.436 1.00 0.00 C ATOM 653 O HIS A 43 -19.615 -37.808 8.220 1.00 0.00 O ATOM 654 CB HIS A 43 -16.154 -37.871 8.662 1.00 0.00 C ATOM 655 CG HIS A 43 -16.300 -39.181 9.375 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.936 -40.387 8.814 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.773 -39.469 10.610 1.00 0.00 C ATOM 658 CE1 HIS A 43 -16.180 -41.360 9.674 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.688 -40.830 10.771 1.00 0.00 N ATOM 0 H HIS A 43 -17.473 -35.672 6.832 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.482 -38.478 7.087 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.205 -37.862 8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.111 -37.069 9.399 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.147 -38.760 11.334 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.995 -42.411 9.508 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.971 -41.347 11.603 1.00 0.00 H new ATOM 667 N CYS A 44 -18.446 -36.235 9.326 1.00 0.00 N ATOM 668 CA CYS A 44 -19.586 -35.790 10.120 1.00 0.00 C ATOM 669 C CYS A 44 -20.485 -34.864 9.308 1.00 0.00 C ATOM 670 O CYS A 44 -21.645 -34.642 9.657 1.00 0.00 O ATOM 671 CB CYS A 44 -19.106 -35.076 11.384 1.00 0.00 C ATOM 672 SG CYS A 44 -18.057 -33.638 11.067 1.00 0.00 S ATOM 0 H CYS A 44 -17.578 -35.733 9.516 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.164 -36.669 10.406 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.975 -34.758 11.961 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.555 -35.785 12.002 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.941 -34.026 10.526 1.00 0.00 H new ATOM 677 N LYS A 45 -19.942 -34.322 8.223 1.00 0.00 N ATOM 678 CA LYS A 45 -20.694 -33.419 7.360 1.00 0.00 C ATOM 679 C LYS A 45 -21.088 -32.151 8.111 1.00 0.00 C ATOM 680 O LYS A 45 -22.177 -32.069 8.680 1.00 0.00 O ATOM 681 CB LYS A 45 -21.945 -34.117 6.823 1.00 0.00 C ATOM 682 CG LYS A 45 -21.670 -35.486 6.226 1.00 0.00 C ATOM 683 CD LYS A 45 -22.905 -36.060 5.552 1.00 0.00 C ATOM 684 CE LYS A 45 -22.648 -37.459 5.016 1.00 0.00 C ATOM 685 NZ LYS A 45 -22.685 -38.483 6.097 1.00 0.00 N ATOM 0 H LYS A 45 -18.983 -34.493 7.920 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.054 -33.140 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.668 -34.222 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.406 -33.485 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.860 -35.411 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.334 -36.165 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.730 -36.088 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.212 -35.407 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.395 -37.701 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.676 -37.486 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.505 -39.423 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.955 -38.267 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.621 -38.475 6.551 1.00 0.00 H new ATOM 699 N VAL A 46 -20.197 -31.165 8.108 1.00 0.00 N ATOM 700 CA VAL A 46 -20.454 -29.901 8.787 1.00 0.00 C ATOM 701 C VAL A 46 -19.328 -28.904 8.536 1.00 0.00 C ATOM 702 O VAL A 46 -18.150 -29.262 8.564 1.00 0.00 O ATOM 703 CB VAL A 46 -20.617 -30.102 10.305 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.286 -30.475 10.941 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.193 -28.850 10.950 1.00 0.00 C ATOM 0 H VAL A 46 -19.291 -31.217 7.643 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.384 -29.506 8.378 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.315 -30.923 10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.421 -30.613 12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.919 -31.401 10.500 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.563 -29.678 10.766 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.301 -29.010 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.522 -28.009 10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.169 -28.633 10.515 1.00 0.00 H new ATOM 715 N ARG A 47 -19.698 -27.651 8.290 1.00 0.00 N ATOM 716 CA ARG A 47 -18.719 -26.602 8.033 1.00 0.00 C ATOM 717 C ARG A 47 -18.274 -25.943 9.336 1.00 0.00 C ATOM 718 O ARG A 47 -19.101 -25.536 10.153 1.00 0.00 O ATOM 719 CB ARG A 47 -19.305 -25.549 7.091 1.00 0.00 C ATOM 720 CG ARG A 47 -20.010 -26.139 5.881 1.00 0.00 C ATOM 721 CD ARG A 47 -19.169 -25.999 4.622 1.00 0.00 C ATOM 722 NE ARG A 47 -19.845 -26.545 3.448 1.00 0.00 N ATOM 723 CZ ARG A 47 -20.703 -25.853 2.707 1.00 0.00 C ATOM 724 NH1 ARG A 47 -20.988 -24.596 3.016 1.00 0.00 N ATOM 725 NH2 ARG A 47 -21.278 -26.419 1.653 1.00 0.00 N ATOM 0 H ARG A 47 -20.668 -27.338 8.263 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.849 -27.059 7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.010 -24.930 7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.504 -24.893 6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -20.224 -27.192 6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.968 -25.639 5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.942 -24.946 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.217 -26.511 4.763 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.647 -27.510 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -20.548 -24.157 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -21.647 -24.067 2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.061 -27.386 1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -21.937 -25.887 1.084 1.00 0.00 H new ATOM 739 N HIS A 48 -16.962 -25.841 9.523 1.00 0.00 N ATOM 740 CA HIS A 48 -16.407 -25.231 10.726 1.00 0.00 C ATOM 741 C HIS A 48 -15.552 -24.017 10.375 1.00 0.00 C ATOM 742 O HIS A 48 -14.952 -23.957 9.301 1.00 0.00 O ATOM 743 CB HIS A 48 -15.572 -26.251 11.501 1.00 0.00 C ATOM 744 CG HIS A 48 -15.573 -27.617 10.887 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.387 -28.639 11.326 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.853 -28.126 9.860 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.168 -29.718 10.597 1.00 0.00 C ATOM 748 NE2 HIS A 48 -15.241 -29.433 9.700 1.00 0.00 N ATOM 0 H HIS A 48 -16.264 -26.173 8.857 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.236 -24.900 11.352 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.545 -25.892 11.567 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.952 -26.320 12.520 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.055 -28.572 12.094 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.112 -27.602 9.275 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.662 -30.671 10.714 1.00 0.00 H new ATOM 756 N LEU A 49 -15.501 -23.052 11.286 1.00 0.00 N ATOM 757 CA LEU A 49 -14.720 -21.838 11.072 1.00 0.00 C ATOM 758 C LEU A 49 -13.275 -22.035 11.519 1.00 0.00 C ATOM 759 O LEU A 49 -13.015 -22.577 12.593 1.00 0.00 O ATOM 760 CB LEU A 49 -15.345 -20.666 11.831 1.00 0.00 C ATOM 761 CG LEU A 49 -14.956 -19.269 11.346 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.216 -19.131 9.854 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.716 -18.204 12.123 1.00 0.00 C ATOM 0 H LEU A 49 -15.991 -23.086 12.180 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.724 -21.616 10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.430 -20.760 11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.072 -20.753 12.883 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.890 -19.127 11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.933 -18.131 9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.626 -19.870 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.275 -19.293 9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.427 -17.216 11.765 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.787 -18.343 11.978 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.479 -18.289 13.184 1.00 0.00 H new ATOM 775 N ILE A 50 -12.339 -21.590 10.687 1.00 0.00 N ATOM 776 CA ILE A 50 -10.920 -21.715 10.998 1.00 0.00 C ATOM 777 C ILE A 50 -10.306 -20.357 11.320 1.00 0.00 C ATOM 778 O ILE A 50 -9.846 -20.121 12.437 1.00 0.00 O ATOM 779 CB ILE A 50 -10.142 -22.354 9.832 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.078 -22.618 8.651 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.475 -23.644 10.285 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.383 -23.233 7.456 1.00 0.00 C ATOM 0 H ILE A 50 -12.537 -21.140 9.793 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.845 -22.362 11.872 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.366 -21.661 9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.881 -23.280 8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.542 -21.679 8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.929 -24.084 9.450 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.782 -23.429 11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.235 -24.345 10.631 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.107 -23.393 6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.598 -22.562 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.943 -24.188 7.743 1.00 0.00 H new ATOM 794 N ALA A 51 -10.305 -19.465 10.334 1.00 0.00 N ATOM 795 CA ALA A 51 -9.752 -18.129 10.514 1.00 0.00 C ATOM 796 C ALA A 51 -10.826 -17.061 10.331 1.00 0.00 C ATOM 797 O ALA A 51 -11.213 -16.743 9.206 1.00 0.00 O ATOM 798 CB ALA A 51 -8.605 -17.898 9.542 1.00 0.00 C ATOM 0 H ALA A 51 -10.681 -19.644 9.403 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.372 -18.054 11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.201 -16.896 9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.822 -18.635 9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.969 -17.998 8.519 1.00 0.00 H new ATOM 804 N ASP A 52 -11.303 -16.512 11.443 1.00 0.00 N ATOM 805 CA ASP A 52 -12.332 -15.480 11.405 1.00 0.00 C ATOM 806 C ASP A 52 -11.706 -14.088 11.415 1.00 0.00 C ATOM 807 O ASP A 52 -11.154 -13.652 12.425 1.00 0.00 O ATOM 808 CB ASP A 52 -13.282 -15.633 12.593 1.00 0.00 C ATOM 809 CG ASP A 52 -14.358 -14.565 12.616 1.00 0.00 C ATOM 810 OD1 ASP A 52 -14.948 -14.295 11.550 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.608 -13.998 13.701 1.00 0.00 O ATOM 0 H ASP A 52 -10.993 -16.765 12.381 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.897 -15.599 10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.751 -16.616 12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.710 -15.588 13.520 1.00 0.00 H new ATOM 816 N HIS A 53 -11.796 -13.397 10.283 1.00 0.00 N ATOM 817 CA HIS A 53 -11.238 -12.054 10.161 1.00 0.00 C ATOM 818 C HIS A 53 -12.333 -11.037 9.854 1.00 0.00 C ATOM 819 O HIS A 53 -12.156 -9.836 10.065 1.00 0.00 O ATOM 820 CB HIS A 53 -10.172 -12.020 9.066 1.00 0.00 C ATOM 821 CG HIS A 53 -8.773 -11.940 9.594 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.200 -10.765 10.033 1.00 0.00 N ATOM 823 CD2 HIS A 53 -7.831 -12.899 9.755 1.00 0.00 C ATOM 824 CE1 HIS A 53 -6.966 -11.004 10.439 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.717 -12.292 10.281 1.00 0.00 N ATOM 0 H HIS A 53 -12.249 -13.744 9.438 1.00 0.00 H new ATOM 0 HA HIS A 53 -10.778 -11.790 11.113 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.268 -12.913 8.449 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.356 -11.163 8.418 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.936 -13.947 9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.278 -10.271 10.833 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.840 -12.759 10.512 1.00 0.00 H new ATOM 833 N LEU A 54 -13.463 -11.524 9.355 1.00 0.00 N ATOM 834 CA LEU A 54 -14.587 -10.657 9.018 1.00 0.00 C ATOM 835 C LEU A 54 -15.670 -10.729 10.089 1.00 0.00 C ATOM 836 O LEU A 54 -16.641 -9.972 10.058 1.00 0.00 O ATOM 837 CB LEU A 54 -15.170 -11.050 7.659 1.00 0.00 C ATOM 838 CG LEU A 54 -14.164 -11.223 6.521 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.857 -11.738 5.269 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.451 -9.909 6.236 1.00 0.00 C ATOM 0 H LEU A 54 -13.626 -12.515 9.175 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.221 -9.632 8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.718 -11.985 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.895 -10.291 7.364 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.420 -11.958 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.125 -11.855 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.321 -12.702 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.623 -11.027 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.739 -10.050 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.182 -9.153 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.921 -9.581 7.130 1.00 0.00 H new ATOM 852 N LYS A 55 -15.497 -11.642 11.038 1.00 0.00 N ATOM 853 CA LYS A 55 -16.457 -11.811 12.122 1.00 0.00 C ATOM 854 C LYS A 55 -17.875 -11.952 11.577 1.00 0.00 C ATOM 855 O LYS A 55 -18.785 -11.237 11.998 1.00 0.00 O ATOM 856 CB LYS A 55 -16.385 -10.624 13.085 1.00 0.00 C ATOM 857 CG LYS A 55 -15.248 -10.722 14.087 1.00 0.00 C ATOM 858 CD LYS A 55 -15.344 -9.638 15.148 1.00 0.00 C ATOM 859 CE LYS A 55 -14.610 -8.375 14.723 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.136 -8.509 14.887 1.00 0.00 N ATOM 0 H LYS A 55 -14.700 -12.277 11.078 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.201 -12.724 12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.272 -9.706 12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.329 -10.547 13.625 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.266 -11.702 14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.294 -10.639 13.566 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.392 -9.405 15.338 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.925 -10.006 16.085 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.841 -8.154 13.681 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.966 -7.531 15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.680 -7.597 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.920 -8.795 15.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.777 -9.229 14.228 1.00 0.00 H new ATOM 874 N ILE A 56 -18.055 -12.877 10.641 1.00 0.00 N ATOM 875 CA ILE A 56 -19.362 -13.112 10.041 1.00 0.00 C ATOM 876 C ILE A 56 -20.272 -13.884 10.991 1.00 0.00 C ATOM 877 O ILE A 56 -21.411 -13.488 11.236 1.00 0.00 O ATOM 878 CB ILE A 56 -19.242 -13.890 8.717 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.253 -13.195 7.780 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.606 -14.020 8.054 1.00 0.00 C ATOM 881 CD1 ILE A 56 -17.932 -13.997 6.538 1.00 0.00 C ATOM 0 H ILE A 56 -17.312 -13.476 10.282 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.798 -12.133 9.839 1.00 0.00 H new ATOM 0 HB ILE A 56 -18.867 -14.891 8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.663 -12.230 7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.329 -12.996 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.505 -14.572 7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.285 -14.554 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.006 -13.027 7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.225 -13.443 5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.492 -14.952 6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -18.847 -14.174 5.973 1.00 0.00 H new ATOM 893 N PHE A 57 -19.760 -14.988 11.524 1.00 0.00 N ATOM 894 CA PHE A 57 -20.526 -15.817 12.449 1.00 0.00 C ATOM 895 C PHE A 57 -20.507 -15.223 13.854 1.00 0.00 C ATOM 896 O PHE A 57 -21.317 -15.590 14.706 1.00 0.00 O ATOM 897 CB PHE A 57 -19.965 -17.240 12.476 1.00 0.00 C ATOM 898 CG PHE A 57 -19.993 -17.921 11.138 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.160 -18.499 10.664 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.852 -17.984 10.354 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.187 -19.127 9.433 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.874 -18.610 9.122 1.00 0.00 C ATOM 903 CZ PHE A 57 -20.043 -19.181 8.661 1.00 0.00 C ATOM 0 H PHE A 57 -18.818 -15.330 11.332 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.558 -15.848 12.101 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.937 -17.210 12.838 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.537 -17.834 13.189 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.058 -18.458 11.263 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.935 -17.539 10.710 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.102 -19.575 9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.978 -18.652 8.521 1.00 0.00 H new ATOM 0 HZ PHE A 57 -20.063 -19.669 7.698 1.00 0.00 H new ATOM 913 N HIS A 58 -19.576 -14.304 14.090 1.00 0.00 N ATOM 914 CA HIS A 58 -19.451 -13.659 15.392 1.00 0.00 C ATOM 915 C HIS A 58 -20.731 -12.911 15.753 1.00 0.00 C ATOM 916 O HIS A 58 -20.968 -12.594 16.919 1.00 0.00 O ATOM 917 CB HIS A 58 -18.265 -12.694 15.394 1.00 0.00 C ATOM 918 CG HIS A 58 -17.732 -12.403 16.764 1.00 0.00 C ATOM 919 ND1 HIS A 58 -16.489 -12.818 17.191 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.282 -11.733 17.803 1.00 0.00 C ATOM 921 CE1 HIS A 58 -16.297 -12.416 18.435 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.370 -11.755 18.830 1.00 0.00 N ATOM 0 H HIS A 58 -18.897 -13.989 13.397 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.281 -14.434 16.139 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.465 -13.113 14.783 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.568 -11.758 14.924 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -19.256 -11.268 17.821 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -15.413 -12.597 19.028 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -17.500 -11.330 19.748 1.00 0.00 H new ATOM 930 N ASP A 59 -21.552 -12.632 14.746 1.00 0.00 N ATOM 931 CA ASP A 59 -22.808 -11.922 14.958 1.00 0.00 C ATOM 932 C ASP A 59 -23.933 -12.897 15.291 1.00 0.00 C ATOM 933 O ASP A 59 -25.103 -12.515 15.345 1.00 0.00 O ATOM 934 CB ASP A 59 -23.173 -11.107 13.716 1.00 0.00 C ATOM 935 CG ASP A 59 -22.643 -9.688 13.779 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.500 -9.461 13.331 1.00 0.00 O ATOM 937 OD2 ASP A 59 -23.372 -8.804 14.275 1.00 0.00 O ATOM 0 H ASP A 59 -21.370 -12.887 13.775 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.677 -11.245 15.802 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.774 -11.602 12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.257 -11.082 13.607 1.00 0.00 H new ATOM 942 N HIS A 60 -23.572 -14.156 15.514 1.00 0.00 N ATOM 943 CA HIS A 60 -24.552 -15.186 15.842 1.00 0.00 C ATOM 944 C HIS A 60 -25.895 -14.888 15.182 1.00 0.00 C ATOM 945 O HIS A 60 -26.944 -14.962 15.824 1.00 0.00 O ATOM 946 CB HIS A 60 -24.727 -15.289 17.357 1.00 0.00 C ATOM 947 CG HIS A 60 -25.556 -14.187 17.941 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.326 -12.856 18.025 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -26.784 -14.401 18.531 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.409 -12.295 18.657 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -27.275 -13.248 18.951 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.608 -14.488 15.474 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.183 -16.138 15.461 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.190 -16.246 17.597 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.745 -15.283 17.829 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -27.269 -15.361 18.634 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.532 -11.245 18.878 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -28.170 -13.117 19.422 1.00 0.00 H new ATOM 959 N HIS A 61 -25.856 -14.549 13.897 1.00 0.00 N ATOM 960 CA HIS A 61 -27.070 -14.239 13.151 1.00 0.00 C ATOM 961 C HIS A 61 -26.916 -14.620 11.681 1.00 0.00 C ATOM 962 O HIS A 61 -27.674 -14.159 10.828 1.00 0.00 O ATOM 963 CB HIS A 61 -27.403 -12.752 13.272 1.00 0.00 C ATOM 964 CG HIS A 61 -28.333 -12.436 14.403 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.100 -12.304 15.730 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.683 -12.218 14.228 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.302 -12.010 16.326 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.240 -11.963 15.398 1.00 0.00 N flip ATOM 0 H HIS A 61 -24.997 -14.482 13.351 1.00 0.00 H new ATOM 0 HA HIS A 61 -27.887 -14.822 13.576 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.478 -12.191 13.405 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.851 -12.411 12.338 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.204 -12.251 13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.455 -11.844 17.382 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -31.227 -11.764 15.558 1.00 0.00 H new ATOM 976 N VAL A 62 -25.930 -15.464 11.394 1.00 0.00 N ATOM 977 CA VAL A 62 -25.678 -15.907 10.028 1.00 0.00 C ATOM 978 C VAL A 62 -25.397 -17.405 9.979 1.00 0.00 C ATOM 979 O VAL A 62 -24.619 -17.929 10.778 1.00 0.00 O ATOM 980 CB VAL A 62 -24.489 -15.152 9.404 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.194 -15.510 10.118 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.387 -15.455 7.916 1.00 0.00 C ATOM 0 H VAL A 62 -25.293 -15.854 12.089 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.579 -15.690 9.453 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.658 -14.082 9.524 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.366 -14.967 9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.272 -15.238 11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.016 -16.582 10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.542 -14.913 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.241 -16.526 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.305 -15.143 7.417 1.00 0.00 H new ATOM 992 N THR A 63 -26.034 -18.091 9.035 1.00 0.00 N ATOM 993 CA THR A 63 -25.854 -19.529 8.882 1.00 0.00 C ATOM 994 C THR A 63 -24.927 -19.845 7.714 1.00 0.00 C ATOM 995 O THR A 63 -24.533 -18.954 6.962 1.00 0.00 O ATOM 996 CB THR A 63 -27.200 -20.243 8.662 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.019 -21.662 8.733 1.00 0.00 O ATOM 998 CG2 THR A 63 -27.798 -19.870 7.314 1.00 0.00 C ATOM 0 H THR A 63 -26.679 -17.673 8.365 1.00 0.00 H new ATOM 0 HA THR A 63 -25.406 -19.892 9.807 1.00 0.00 H new ATOM 0 HB THR A 63 -27.887 -19.925 9.446 1.00 0.00 H new ATOM 0 HG1 THR A 63 -27.880 -22.109 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.748 -20.387 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 63 -27.962 -18.793 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.112 -20.162 6.518 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.582 -21.121 7.567 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.702 -21.555 6.489 1.00 0.00 C ATOM 1008 C VAL A 64 -24.302 -21.229 5.125 1.00 0.00 C ATOM 1009 O VAL A 64 -23.595 -20.807 4.211 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.424 -23.068 6.566 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.370 -23.470 5.546 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.994 -23.458 7.972 1.00 0.00 C ATOM 0 H VAL A 64 -24.899 -21.871 8.181 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.764 -21.014 6.609 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.344 -23.602 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.187 -24.542 5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -22.722 -23.226 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.445 -22.930 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.801 -24.530 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -22.086 -22.917 8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.786 -23.207 8.678 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.610 -21.429 4.997 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.304 -21.156 3.744 1.00 0.00 C ATOM 1024 C GLU A 65 -26.160 -19.689 3.351 1.00 0.00 C ATOM 1025 O GLU A 65 -26.002 -19.364 2.174 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.786 -21.519 3.867 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.039 -23.014 3.966 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.444 -23.397 3.543 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.366 -23.289 4.378 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -29.621 -23.804 2.375 1.00 0.00 O ATOM 0 H GLU A 65 -26.210 -21.779 5.745 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.850 -21.769 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.200 -21.030 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.321 -21.125 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.319 -23.543 3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -27.871 -23.340 4.992 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.217 -18.807 4.344 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.095 -17.375 4.101 1.00 0.00 C ATOM 1039 C GLN A 66 -24.719 -17.034 3.537 1.00 0.00 C ATOM 1040 O GLN A 66 -24.596 -16.213 2.628 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.336 -16.594 5.394 1.00 0.00 C ATOM 1042 CG GLN A 66 -27.784 -16.173 5.589 1.00 0.00 C ATOM 1043 CD GLN A 66 -27.927 -14.999 6.538 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -28.335 -15.162 7.688 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -27.591 -13.807 6.060 1.00 0.00 N ATOM 0 H GLN A 66 -26.347 -19.059 5.324 1.00 0.00 H new ATOM 0 HA GLN A 66 -26.850 -17.091 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.027 -17.206 6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -25.705 -15.706 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.215 -15.909 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.356 -17.018 5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -27.257 -13.718 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -27.666 -12.980 6.653 1.00 0.00 H new ATOM 1054 N LEU A 67 -23.688 -17.669 4.082 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.320 -17.433 3.634 1.00 0.00 C ATOM 1056 C LEU A 67 -22.181 -17.713 2.141 1.00 0.00 C ATOM 1057 O LEU A 67 -21.584 -16.927 1.405 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.346 -18.310 4.422 1.00 0.00 C ATOM 1059 CG LEU A 67 -20.751 -17.686 5.684 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -19.929 -16.455 5.335 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -21.851 -17.331 6.673 1.00 0.00 C ATOM 0 H LEU A 67 -23.773 -18.352 4.835 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.081 -16.385 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -21.861 -19.228 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.527 -18.594 3.761 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.092 -18.418 6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.514 -16.025 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.117 -16.738 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.566 -15.719 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.409 -16.888 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.536 -16.617 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -22.398 -18.233 6.948 1.00 0.00 H new ATOM 1073 N MET A 68 -22.737 -18.837 1.700 1.00 0.00 N ATOM 1074 CA MET A 68 -22.677 -19.218 0.294 1.00 0.00 C ATOM 1075 C MET A 68 -23.611 -18.351 -0.545 1.00 0.00 C ATOM 1076 O MET A 68 -23.277 -17.965 -1.665 1.00 0.00 O ATOM 1077 CB MET A 68 -23.046 -20.693 0.127 1.00 0.00 C ATOM 1078 CG MET A 68 -22.062 -21.644 0.789 1.00 0.00 C ATOM 1079 SD MET A 68 -21.850 -23.178 -0.135 1.00 0.00 S ATOM 1080 CE MET A 68 -23.400 -24.004 0.219 1.00 0.00 C ATOM 0 H MET A 68 -23.234 -19.499 2.296 1.00 0.00 H new ATOM 0 HA MET A 68 -21.656 -19.064 -0.055 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.038 -20.861 0.546 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.105 -20.926 -0.936 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.096 -21.149 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.408 -21.876 1.796 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.420 -24.971 -0.284 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.496 -24.153 1.295 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.228 -23.392 -0.138 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.085 -26.177 0.603 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.135 -25.171 1.064 1.00 0.00 C ATOM 1256 C ASP A 81 -15.392 -23.829 0.383 1.00 0.00 C ATOM 1257 O ASP A 81 -15.563 -23.762 -0.835 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.702 -25.629 0.790 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.683 -24.868 1.616 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.952 -23.698 1.958 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -11.616 -25.443 1.920 1.00 0.00 O ATOM 0 HA ASP A 81 -15.269 -25.045 2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.617 -26.694 1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.478 -25.498 -0.269 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.418 -22.765 1.177 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.654 -21.424 0.652 1.00 0.00 C ATOM 1268 C LEU A 82 -14.831 -20.389 1.412 1.00 0.00 C ATOM 1269 O LEU A 82 -14.840 -20.356 2.641 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.141 -21.076 0.742 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.597 -19.867 -0.076 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -17.109 -19.978 -1.512 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.113 -19.736 -0.034 1.00 0.00 C ATOM 0 H LEU A 82 -15.279 -22.804 2.187 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.345 -21.409 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.717 -21.944 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.389 -20.897 1.788 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.162 -18.970 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.443 -19.109 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.020 -20.022 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -17.513 -20.883 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.420 -18.871 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.568 -20.636 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.439 -19.608 0.998 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.121 -19.545 0.669 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.294 -18.507 1.273 1.00 0.00 C ATOM 1287 C GLU A 83 -13.846 -17.120 0.960 1.00 0.00 C ATOM 1288 O GLU A 83 -14.372 -16.880 -0.127 1.00 0.00 O ATOM 1289 CB GLU A 83 -11.852 -18.619 0.774 1.00 0.00 C ATOM 1290 CG GLU A 83 -11.742 -18.840 -0.725 1.00 0.00 C ATOM 1291 CD GLU A 83 -11.883 -20.300 -1.112 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.212 -21.147 -0.487 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.666 -20.594 -2.039 1.00 0.00 O ATOM 0 H GLU A 83 -14.102 -19.560 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.309 -18.649 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.313 -17.709 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.360 -19.443 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.512 -18.258 -1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.779 -18.467 -1.074 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.722 -16.209 1.920 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.210 -14.846 1.748 1.00 0.00 C ATOM 1302 C PHE A 84 -13.131 -13.832 2.119 1.00 0.00 C ATOM 1303 O PHE A 84 -12.528 -13.916 3.188 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.457 -14.616 2.604 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.459 -15.732 2.515 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.299 -15.840 1.419 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.560 -16.672 3.528 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.222 -16.865 1.334 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -17.481 -17.700 3.448 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.314 -17.796 2.350 1.00 0.00 C ATOM 0 H PHE A 84 -13.288 -16.390 2.825 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.468 -14.709 0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.156 -14.491 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.933 -13.685 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.232 -15.115 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -15.912 -16.601 4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.871 -16.938 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -17.549 -18.427 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.035 -18.597 2.286 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.895 -12.875 1.227 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.889 -11.846 1.459 1.00 0.00 C ATOM 1322 C GLU A 85 -12.539 -10.541 1.908 1.00 0.00 C ATOM 1323 O GLU A 85 -11.954 -9.775 2.675 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.067 -11.609 0.190 1.00 0.00 C ATOM 1325 CG GLU A 85 -9.616 -11.249 0.463 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.090 -10.188 -0.485 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.156 -10.404 -1.713 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -8.613 -9.142 0.003 1.00 0.00 O ATOM 0 H GLU A 85 -13.387 -12.791 0.337 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.227 -12.194 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.100 -12.507 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.529 -10.808 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.521 -10.894 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.001 -12.145 0.377 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.752 -10.294 1.425 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.483 -9.082 1.777 1.00 0.00 C ATOM 1337 C ASP A 86 -15.988 -9.316 1.705 1.00 0.00 C ATOM 1338 O ASP A 86 -16.579 -9.291 0.625 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.087 -7.934 0.846 1.00 0.00 C ATOM 1340 CG ASP A 86 -12.885 -7.164 1.356 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -12.765 -6.998 2.588 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -12.064 -6.728 0.523 1.00 0.00 O ATOM 0 H ASP A 86 -14.250 -10.917 0.789 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.224 -8.815 2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.866 -8.333 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.931 -7.253 0.734 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.603 -9.542 2.861 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.039 -9.780 2.929 1.00 0.00 C ATOM 1349 C ILE A 87 -18.813 -8.680 2.210 1.00 0.00 C ATOM 1350 O ILE A 87 -18.344 -7.552 2.063 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.527 -9.867 4.387 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.955 -8.711 5.209 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.135 -11.204 4.998 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.556 -8.597 6.593 1.00 0.00 C ATOM 0 H ILE A 87 -16.129 -9.565 3.764 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.225 -10.734 2.435 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.614 -9.791 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.876 -8.839 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.121 -7.777 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.487 -11.250 6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.587 -12.013 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.050 -11.308 4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.103 -7.756 7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.631 -8.437 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.367 -9.516 7.148 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.029 -9.014 1.752 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.895 -8.068 1.043 1.00 0.00 C ATOM 1368 C PRO A 88 -21.433 -6.975 1.961 1.00 0.00 C ATOM 1369 O PRO A 88 -20.988 -6.833 3.099 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.038 -8.949 0.532 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.075 -10.105 1.471 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.651 -10.342 1.892 1.00 0.00 C ATOM 0 HA PRO A 88 -20.361 -7.538 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.985 -8.409 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.858 -9.276 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.706 -9.888 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.491 -10.988 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.590 -10.708 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.163 -11.083 1.259 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.393 -6.207 1.458 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.993 -5.128 2.233 1.00 0.00 C ATOM 1382 C ASP A 89 -24.385 -5.517 2.721 1.00 0.00 C ATOM 1383 O ASP A 89 -24.897 -4.950 3.685 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.072 -3.851 1.394 1.00 0.00 C ATOM 1385 CG ASP A 89 -23.292 -2.614 2.242 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.448 -2.371 2.650 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -22.309 -1.888 2.499 1.00 0.00 O ATOM 0 H ASP A 89 -22.772 -6.312 0.517 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.361 -4.944 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -22.151 -3.737 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.884 -3.943 0.673 1.00 0.00 H new ATOM 1392 N SER A 90 -24.992 -6.489 2.046 1.00 0.00 N ATOM 1393 CA SER A 90 -26.327 -6.951 2.407 1.00 0.00 C ATOM 1394 C SER A 90 -26.293 -7.745 3.710 1.00 0.00 C ATOM 1395 O SER A 90 -27.269 -7.769 4.462 1.00 0.00 O ATOM 1396 CB SER A 90 -26.912 -7.813 1.287 1.00 0.00 C ATOM 1397 OG SER A 90 -26.785 -7.171 0.030 1.00 0.00 O ATOM 0 H SER A 90 -24.580 -6.971 1.247 1.00 0.00 H new ATOM 0 HA SER A 90 -26.961 -6.076 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.401 -8.776 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.963 -8.015 1.491 1.00 0.00 H new ATOM 0 HG SER A 90 -27.165 -7.743 -0.669 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.163 -8.394 3.971 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.000 -9.189 5.182 1.00 0.00 C ATOM 1405 C LEU A 91 -24.873 -8.293 6.410 1.00 0.00 C ATOM 1406 O LEU A 91 -25.671 -8.381 7.343 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.768 -10.089 5.063 1.00 0.00 C ATOM 1408 CG LEU A 91 -23.907 -11.298 4.138 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -22.599 -12.070 4.069 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.038 -12.202 4.607 1.00 0.00 C ATOM 0 H LEU A 91 -24.347 -8.385 3.360 1.00 0.00 H new ATOM 0 HA LEU A 91 -25.887 -9.811 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -22.933 -9.483 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.507 -10.447 6.059 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.147 -10.940 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -22.717 -12.927 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -21.813 -11.420 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.328 -12.417 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.122 -13.057 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -24.828 -12.552 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -25.975 -11.645 4.603 1.00 0.00 H new