USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot -52:sc= 0.827 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.872 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 16 SER OG : rot 30:sc= -3.32! USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 80:sc= -0.762 USER MOD Single : A 27 CYS SG : rot 180:sc= -1.63 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc=0.000437 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 140:sc= -0.281 (180deg=-1.13) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.81! C(o=-3.8!,f=-9.1!) USER MOD Single : A 50 TYR OH : rot 165:sc= -1.48! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 60 THR OG1 : rot 81:sc= 1.5 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc=-0.00641 (180deg=-0.144) USER MOD Single : A 63 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.651 F(o=-1.8,f=-0.65) USER MOD Single : A 69 GLN : amide:sc= -0.3 K(o=-0.3,f=-2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 13.314 -1.313 11.977 1.00 0.00 N ATOM 131 CA SER A 10 13.321 -2.729 11.630 1.00 0.00 C ATOM 132 C SER A 10 12.825 -2.942 10.202 1.00 0.00 C ATOM 133 O SER A 10 11.972 -2.200 9.715 1.00 0.00 O ATOM 134 CB SER A 10 12.451 -3.520 12.608 1.00 0.00 C ATOM 135 OG SER A 10 13.026 -4.783 12.896 1.00 0.00 O ATOM 0 HA SER A 10 14.348 -3.088 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.329 -2.953 13.531 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.456 -3.658 12.185 1.00 0.00 H new ATOM 0 HG SER A 10 12.452 -5.268 13.525 1.00 0.00 H new ATOM 141 N PRO A 11 13.356 -3.964 9.509 1.00 0.00 N ATOM 142 CA PRO A 11 12.964 -4.273 8.131 1.00 0.00 C ATOM 143 C PRO A 11 11.549 -4.835 8.034 1.00 0.00 C ATOM 144 O PRO A 11 10.976 -4.911 6.947 1.00 0.00 O ATOM 145 CB PRO A 11 13.987 -5.321 7.696 1.00 0.00 C ATOM 146 CG PRO A 11 14.416 -5.970 8.961 1.00 0.00 C ATOM 147 CD PRO A 11 14.379 -4.897 10.013 1.00 0.00 C ATOM 0 HA PRO A 11 12.954 -3.381 7.505 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.547 -6.044 7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.830 -4.862 7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.752 -6.794 9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.418 -6.387 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.110 -5.300 10.989 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.348 -4.410 10.125 1.00 0.00 H new ATOM 155 N ASP A 12 10.990 -5.225 9.174 1.00 0.00 N ATOM 156 CA ASP A 12 9.641 -5.778 9.212 1.00 0.00 C ATOM 157 C ASP A 12 8.618 -4.760 8.723 1.00 0.00 C ATOM 158 O ASP A 12 7.533 -5.122 8.268 1.00 0.00 O ATOM 159 CB ASP A 12 9.294 -6.231 10.628 1.00 0.00 C ATOM 160 CG ASP A 12 9.146 -7.736 10.736 1.00 0.00 C ATOM 161 OD1 ASP A 12 8.180 -8.280 10.160 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.996 -8.370 11.396 1.00 0.00 O ATOM 0 H ASP A 12 11.449 -5.169 10.083 1.00 0.00 H new ATOM 0 HA ASP A 12 9.611 -6.640 8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.072 -5.895 11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.365 -5.754 10.941 1.00 0.00 H new ATOM 167 N ILE A 13 8.974 -3.485 8.815 1.00 0.00 N ATOM 168 CA ILE A 13 8.092 -2.415 8.379 1.00 0.00 C ATOM 169 C ILE A 13 7.981 -2.395 6.867 1.00 0.00 C ATOM 170 O ILE A 13 6.889 -2.495 6.307 1.00 0.00 O ATOM 171 CB ILE A 13 8.573 -1.047 8.870 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.891 -1.097 10.366 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.531 0.021 8.576 1.00 0.00 C ATOM 174 CD1 ILE A 13 7.718 -1.533 11.218 1.00 0.00 C ATOM 0 H ILE A 13 9.869 -3.168 9.188 1.00 0.00 H new ATOM 0 HA ILE A 13 7.112 -2.612 8.814 1.00 0.00 H new ATOM 0 HB ILE A 13 9.487 -0.788 8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.723 -1.782 10.530 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.220 -0.111 10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.890 0.987 8.932 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.356 0.072 7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.600 -0.230 9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.015 -1.546 12.267 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.891 -0.835 11.083 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.402 -2.532 10.918 1.00 0.00 H new ATOM 186 N GLU A 14 9.123 -2.284 6.216 1.00 0.00 N ATOM 187 CA GLU A 14 9.172 -2.271 4.762 1.00 0.00 C ATOM 188 C GLU A 14 8.652 -3.591 4.209 1.00 0.00 C ATOM 189 O GLU A 14 8.171 -3.659 3.078 1.00 0.00 O ATOM 190 CB GLU A 14 10.600 -2.019 4.275 1.00 0.00 C ATOM 191 CG GLU A 14 10.670 -1.434 2.873 1.00 0.00 C ATOM 192 CD GLU A 14 11.859 -1.950 2.086 1.00 0.00 C ATOM 193 OE1 GLU A 14 13.006 -1.653 2.481 1.00 0.00 O ATOM 194 OE2 GLU A 14 11.643 -2.649 1.074 1.00 0.00 O ATOM 0 H GLU A 14 10.033 -2.201 6.670 1.00 0.00 H new ATOM 0 HA GLU A 14 8.537 -1.462 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.097 -1.340 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.153 -2.958 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.752 -1.674 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.726 -0.347 2.939 1.00 0.00 H new ATOM 201 N GLN A 15 8.743 -4.636 5.025 1.00 0.00 N ATOM 202 CA GLN A 15 8.275 -5.951 4.634 1.00 0.00 C ATOM 203 C GLN A 15 6.762 -6.011 4.682 1.00 0.00 C ATOM 204 O GLN A 15 6.115 -6.544 3.781 1.00 0.00 O ATOM 205 CB GLN A 15 8.877 -7.010 5.533 1.00 0.00 C ATOM 206 CG GLN A 15 10.104 -7.657 4.931 1.00 0.00 C ATOM 207 CD GLN A 15 9.762 -8.730 3.915 1.00 0.00 C ATOM 208 OE1 GLN A 15 9.467 -8.434 2.758 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.800 -9.986 4.346 1.00 0.00 N ATOM 0 H GLN A 15 9.139 -4.592 5.964 1.00 0.00 H new ATOM 0 HA GLN A 15 8.593 -6.143 3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.141 -6.561 6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.129 -7.777 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.716 -6.892 4.453 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.706 -8.095 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.050 -10.185 5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.579 -10.751 3.708 1.00 0.00 H new ATOM 218 N SER A 16 6.207 -5.438 5.736 1.00 0.00 N ATOM 219 CA SER A 16 4.765 -5.398 5.909 1.00 0.00 C ATOM 220 C SER A 16 4.130 -4.591 4.785 1.00 0.00 C ATOM 221 O SER A 16 2.971 -4.802 4.429 1.00 0.00 O ATOM 222 CB SER A 16 4.404 -4.790 7.265 1.00 0.00 C ATOM 223 OG SER A 16 3.019 -4.927 7.533 1.00 0.00 O ATOM 0 H SER A 16 6.735 -4.993 6.487 1.00 0.00 H new ATOM 0 HA SER A 16 4.381 -6.417 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.980 -5.279 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.678 -3.735 7.278 1.00 0.00 H new ATOM 0 HG SER A 16 2.680 -5.736 7.095 1.00 0.00 H new ATOM 229 N PHE A 17 4.908 -3.671 4.224 1.00 0.00 N ATOM 230 CA PHE A 17 4.435 -2.833 3.133 1.00 0.00 C ATOM 231 C PHE A 17 4.117 -3.677 1.912 1.00 0.00 C ATOM 232 O PHE A 17 3.123 -3.445 1.224 1.00 0.00 O ATOM 233 CB PHE A 17 5.477 -1.771 2.789 1.00 0.00 C ATOM 234 CG PHE A 17 5.077 -0.381 3.194 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.538 -0.139 4.447 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.242 0.683 2.322 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.171 1.139 4.823 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.877 1.963 2.693 1.00 0.00 C ATOM 239 CZ PHE A 17 4.341 2.192 3.945 1.00 0.00 C ATOM 0 H PHE A 17 5.870 -3.488 4.509 1.00 0.00 H new ATOM 0 HA PHE A 17 3.521 -2.333 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.418 -2.026 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.660 -1.789 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.403 -0.958 5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.661 0.510 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.752 1.315 5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.011 2.784 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.055 3.192 4.237 1.00 0.00 H new ATOM 249 N GLN A 18 4.959 -4.666 1.657 1.00 0.00 N ATOM 250 CA GLN A 18 4.753 -5.555 0.525 1.00 0.00 C ATOM 251 C GLN A 18 3.491 -6.379 0.727 1.00 0.00 C ATOM 252 O GLN A 18 2.848 -6.798 -0.234 1.00 0.00 O ATOM 253 CB GLN A 18 5.955 -6.482 0.329 1.00 0.00 C ATOM 254 CG GLN A 18 5.689 -7.615 -0.653 1.00 0.00 C ATOM 255 CD GLN A 18 6.963 -8.269 -1.151 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.464 -9.218 -0.549 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.494 -7.762 -2.258 1.00 0.00 N ATOM 0 H GLN A 18 5.787 -4.873 2.215 1.00 0.00 H new ATOM 0 HA GLN A 18 4.642 -4.943 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.803 -5.896 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.240 -6.905 1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.063 -8.367 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.127 -7.229 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.045 -6.974 -2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.351 -8.160 -2.641 1.00 0.00 H new ATOM 266 N GLU A 19 3.144 -6.607 1.985 1.00 0.00 N ATOM 267 CA GLU A 19 1.960 -7.379 2.318 1.00 0.00 C ATOM 268 C GLU A 19 0.706 -6.653 1.866 1.00 0.00 C ATOM 269 O GLU A 19 -0.249 -7.271 1.400 1.00 0.00 O ATOM 270 CB GLU A 19 1.905 -7.655 3.818 1.00 0.00 C ATOM 271 CG GLU A 19 1.903 -9.135 4.165 1.00 0.00 C ATOM 272 CD GLU A 19 3.283 -9.756 4.076 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.900 -9.678 2.993 1.00 0.00 O ATOM 274 OE2 GLU A 19 3.746 -10.320 5.090 1.00 0.00 O ATOM 0 H GLU A 19 3.667 -6.267 2.792 1.00 0.00 H new ATOM 0 HA GLU A 19 2.014 -8.333 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.760 -7.179 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.009 -7.192 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.513 -9.267 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.227 -9.662 3.491 1.00 0.00 H new ATOM 281 N ALA A 20 0.721 -5.337 1.997 1.00 0.00 N ATOM 282 CA ALA A 20 -0.412 -4.525 1.592 1.00 0.00 C ATOM 283 C ALA A 20 -0.430 -4.346 0.084 1.00 0.00 C ATOM 284 O ALA A 20 -1.491 -4.230 -0.530 1.00 0.00 O ATOM 285 CB ALA A 20 -0.385 -3.177 2.296 1.00 0.00 C ATOM 0 H ALA A 20 1.505 -4.809 2.380 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.326 -5.042 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.242 -2.584 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.428 -3.329 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.535 -2.651 2.040 1.00 0.00 H new ATOM 291 N LEU A 21 0.755 -4.338 -0.508 1.00 0.00 N ATOM 292 CA LEU A 21 0.886 -4.189 -1.946 1.00 0.00 C ATOM 293 C LEU A 21 0.651 -5.523 -2.640 1.00 0.00 C ATOM 294 O LEU A 21 0.167 -5.573 -3.771 1.00 0.00 O ATOM 295 CB LEU A 21 2.262 -3.633 -2.304 1.00 0.00 C ATOM 296 CG LEU A 21 2.249 -2.248 -2.952 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.402 -2.259 -4.215 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.733 -1.208 -1.968 1.00 0.00 C ATOM 0 H LEU A 21 1.641 -4.433 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 21 0.131 -3.482 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.866 -3.588 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.754 -4.330 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 21 3.270 -1.984 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.404 -1.265 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.815 -2.977 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.380 -2.542 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.730 -0.227 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.719 -1.467 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.380 -1.184 -1.091 1.00 0.00 H new ATOM 310 N SER A 22 0.986 -6.602 -1.945 1.00 0.00 N ATOM 311 CA SER A 22 0.803 -7.940 -2.478 1.00 0.00 C ATOM 312 C SER A 22 -0.657 -8.350 -2.368 1.00 0.00 C ATOM 313 O SER A 22 -1.181 -9.073 -3.215 1.00 0.00 O ATOM 314 CB SER A 22 1.691 -8.941 -1.735 1.00 0.00 C ATOM 315 OG SER A 22 1.729 -10.187 -2.409 1.00 0.00 O ATOM 0 H SER A 22 1.387 -6.573 -1.008 1.00 0.00 H new ATOM 0 HA SER A 22 1.092 -7.938 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.701 -8.541 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.315 -9.083 -0.722 1.00 0.00 H new ATOM 0 HG SER A 22 2.304 -10.809 -1.915 1.00 0.00 H new ATOM 321 N ILE A 23 -1.306 -7.871 -1.316 1.00 0.00 N ATOM 322 CA ILE A 23 -2.709 -8.169 -1.081 1.00 0.00 C ATOM 323 C ILE A 23 -3.600 -7.203 -1.851 1.00 0.00 C ATOM 324 O ILE A 23 -4.657 -7.576 -2.359 1.00 0.00 O ATOM 325 CB ILE A 23 -3.047 -8.117 0.428 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.946 -9.293 0.812 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.701 -6.795 0.812 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.184 -10.571 1.091 1.00 0.00 C ATOM 0 H ILE A 23 -0.879 -7.272 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.897 -9.182 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.111 -8.193 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.524 -9.024 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.659 -9.473 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.924 -6.796 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.022 -5.973 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.625 -6.669 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.885 -11.362 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.627 -10.864 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.491 -10.408 1.916 1.00 0.00 H new ATOM 340 N TYR A 24 -3.150 -5.961 -1.926 1.00 0.00 N ATOM 341 CA TYR A 24 -3.876 -4.915 -2.628 1.00 0.00 C ATOM 342 C TYR A 24 -3.078 -4.393 -3.821 1.00 0.00 C ATOM 343 O TYR A 24 -2.379 -3.385 -3.716 1.00 0.00 O ATOM 344 CB TYR A 24 -4.205 -3.764 -1.689 1.00 0.00 C ATOM 345 CG TYR A 24 -4.888 -4.187 -0.410 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.079 -4.901 -0.438 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.341 -3.871 0.826 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.706 -5.289 0.731 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.961 -4.255 2.000 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.143 -4.964 1.947 1.00 0.00 C ATOM 351 OH TYR A 24 -6.763 -5.350 3.114 1.00 0.00 O ATOM 0 H TYR A 24 -2.275 -5.650 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.805 -5.352 -2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.283 -3.238 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.845 -3.054 -2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.522 -5.157 -1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.416 -3.316 0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.632 -5.844 0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.522 -4.001 2.954 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.559 -6.291 3.297 1.00 0.00 H new ATOM 361 N PRO A 25 -3.174 -5.072 -4.978 1.00 0.00 N ATOM 362 CA PRO A 25 -2.468 -4.677 -6.187 1.00 0.00 C ATOM 363 C PRO A 25 -3.236 -3.626 -6.986 1.00 0.00 C ATOM 364 O PRO A 25 -4.372 -3.289 -6.651 1.00 0.00 O ATOM 365 CB PRO A 25 -2.354 -5.983 -6.984 1.00 0.00 C ATOM 366 CG PRO A 25 -3.236 -6.986 -6.301 1.00 0.00 C ATOM 367 CD PRO A 25 -3.976 -6.273 -5.202 1.00 0.00 C ATOM 0 HA PRO A 25 -1.504 -4.219 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.667 -5.834 -8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.321 -6.331 -7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.937 -7.425 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.641 -7.803 -5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.995 -6.026 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.045 -6.884 -4.302 1.00 0.00 H new ATOM 375 N PRO A 26 -2.625 -3.093 -8.057 1.00 0.00 N ATOM 376 CA PRO A 26 -3.257 -2.075 -8.902 1.00 0.00 C ATOM 377 C PRO A 26 -4.429 -2.627 -9.704 1.00 0.00 C ATOM 378 O PRO A 26 -5.328 -1.886 -10.102 1.00 0.00 O ATOM 379 CB PRO A 26 -2.131 -1.631 -9.834 1.00 0.00 C ATOM 380 CG PRO A 26 -1.210 -2.797 -9.887 1.00 0.00 C ATOM 381 CD PRO A 26 -1.271 -3.435 -8.528 1.00 0.00 C ATOM 0 HA PRO A 26 -3.679 -1.264 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.511 -1.380 -10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.626 -0.744 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.515 -3.500 -10.662 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.194 -2.481 -10.125 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.124 -4.514 -8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.502 -3.042 -7.863 1.00 0.00 H new ATOM 389 N CYS A 27 -4.408 -3.930 -9.939 1.00 0.00 N ATOM 390 CA CYS A 27 -5.454 -4.594 -10.689 1.00 0.00 C ATOM 391 C CYS A 27 -6.759 -4.624 -9.900 1.00 0.00 C ATOM 392 O CYS A 27 -6.782 -4.320 -8.707 1.00 0.00 O ATOM 393 CB CYS A 27 -5.013 -6.014 -11.028 1.00 0.00 C ATOM 394 SG CYS A 27 -4.470 -6.984 -9.602 1.00 0.00 S ATOM 0 H CYS A 27 -3.667 -4.552 -9.615 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.630 -4.037 -11.609 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.840 -6.533 -11.512 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.199 -5.966 -11.752 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.119 -8.173 -9.994 1.00 0.00 H new ATOM 400 N GLY A 28 -7.844 -4.994 -10.573 1.00 0.00 N ATOM 401 CA GLY A 28 -9.137 -5.059 -9.917 1.00 0.00 C ATOM 402 C GLY A 28 -9.559 -3.726 -9.330 1.00 0.00 C ATOM 403 O GLY A 28 -9.804 -3.620 -8.128 1.00 0.00 O ATOM 0 H GLY A 28 -7.851 -5.250 -11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.888 -5.391 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.101 -5.806 -9.124 1.00 0.00 H new ATOM 407 N ARG A 29 -9.645 -2.707 -10.179 1.00 0.00 N ATOM 408 CA ARG A 29 -10.041 -1.375 -9.737 1.00 0.00 C ATOM 409 C ARG A 29 -11.425 -1.404 -9.095 1.00 0.00 C ATOM 410 O ARG A 29 -12.441 -1.290 -9.780 1.00 0.00 O ATOM 411 CB ARG A 29 -10.034 -0.400 -10.915 1.00 0.00 C ATOM 412 CG ARG A 29 -9.761 1.040 -10.512 1.00 0.00 C ATOM 413 CD ARG A 29 -9.507 1.920 -11.725 1.00 0.00 C ATOM 414 NE ARG A 29 -8.566 2.999 -11.431 1.00 0.00 N ATOM 415 CZ ARG A 29 -7.267 2.810 -11.213 1.00 0.00 C ATOM 416 NH1 ARG A 29 -6.750 1.588 -11.255 1.00 0.00 N ATOM 417 NH2 ARG A 29 -6.481 3.846 -10.953 1.00 0.00 N ATOM 0 H ARG A 29 -9.446 -2.778 -11.177 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.321 -1.038 -8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.278 -0.717 -11.633 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.997 -0.450 -11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.611 1.429 -9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.897 1.076 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.116 1.310 -12.540 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.450 2.345 -12.069 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.926 3.952 -11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.349 0.787 -11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.753 1.450 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.872 4.787 -10.920 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.485 3.701 -10.786 1.00 0.00 H new ATOM 431 N ARG A 30 -11.455 -1.560 -7.775 1.00 0.00 N ATOM 432 CA ARG A 30 -12.713 -1.607 -7.039 1.00 0.00 C ATOM 433 C ARG A 30 -13.505 -0.317 -7.229 1.00 0.00 C ATOM 434 O ARG A 30 -12.935 0.739 -7.501 1.00 0.00 O ATOM 435 CB ARG A 30 -12.447 -1.841 -5.550 1.00 0.00 C ATOM 436 CG ARG A 30 -13.482 -2.730 -4.880 1.00 0.00 C ATOM 437 CD ARG A 30 -13.035 -4.182 -4.852 1.00 0.00 C ATOM 438 NE ARG A 30 -13.408 -4.846 -3.606 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.806 -4.626 -2.439 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.802 -3.762 -2.355 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.208 -5.273 -1.354 1.00 0.00 N ATOM 0 H ARG A 30 -10.622 -1.656 -7.194 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.304 -2.435 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.462 -2.292 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.421 -0.879 -5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.657 -2.383 -3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.430 -2.650 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.479 -4.714 -5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.954 -4.231 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.175 -5.518 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.488 -3.263 -3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.344 -3.597 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.978 -5.939 -1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.747 -5.105 -0.460 1.00 0.00 H new ATOM 455 N LYS A 31 -14.823 -0.413 -7.082 1.00 0.00 N ATOM 456 CA LYS A 31 -15.694 0.740 -7.232 1.00 0.00 C ATOM 457 C LYS A 31 -16.937 0.600 -6.359 1.00 0.00 C ATOM 458 O LYS A 31 -17.712 -0.344 -6.512 1.00 0.00 O ATOM 459 CB LYS A 31 -16.099 0.916 -8.697 1.00 0.00 C ATOM 460 CG LYS A 31 -16.688 2.283 -9.006 1.00 0.00 C ATOM 461 CD LYS A 31 -17.769 2.196 -10.071 1.00 0.00 C ATOM 462 CE LYS A 31 -19.158 2.166 -9.454 1.00 0.00 C ATOM 463 NZ LYS A 31 -19.597 0.778 -9.140 1.00 0.00 N ATOM 0 H LYS A 31 -15.309 -1.282 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.144 1.623 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.225 0.755 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.827 0.148 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.106 2.714 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.897 2.953 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.687 3.049 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.617 1.300 -10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.163 2.763 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.870 2.625 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.616 0.775 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.409 0.161 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.073 0.427 -8.313 1.00 0.00 H new ATOM 477 N ILE A 32 -17.121 1.545 -5.443 1.00 0.00 N ATOM 478 CA ILE A 32 -18.265 1.528 -4.547 1.00 0.00 C ATOM 479 C ILE A 32 -18.602 2.935 -4.063 1.00 0.00 C ATOM 480 O ILE A 32 -17.815 3.866 -4.231 1.00 0.00 O ATOM 481 CB ILE A 32 -18.031 0.617 -3.323 1.00 0.00 C ATOM 482 CG1 ILE A 32 -16.743 -0.198 -3.479 1.00 0.00 C ATOM 483 CG2 ILE A 32 -19.222 -0.307 -3.115 1.00 0.00 C ATOM 484 CD1 ILE A 32 -16.387 -1.006 -2.250 1.00 0.00 C ATOM 0 H ILE A 32 -16.489 2.333 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 32 -19.100 1.128 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 32 -17.923 1.253 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -16.850 -0.872 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.920 0.478 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -19.042 -0.943 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.120 0.288 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.359 -0.929 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.465 -1.558 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.248 -0.336 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.192 -1.707 -2.030 1.00 0.00 H new ATOM 496 N ILE A 33 -19.778 3.081 -3.460 1.00 0.00 N ATOM 497 CA ILE A 33 -20.221 4.367 -2.951 1.00 0.00 C ATOM 498 C ILE A 33 -21.045 4.196 -1.678 1.00 0.00 C ATOM 499 O ILE A 33 -21.887 3.303 -1.587 1.00 0.00 O ATOM 500 CB ILE A 33 -21.055 5.149 -3.990 1.00 0.00 C ATOM 501 CG1 ILE A 33 -21.149 4.384 -5.315 1.00 0.00 C ATOM 502 CG2 ILE A 33 -20.460 6.531 -4.217 1.00 0.00 C ATOM 503 CD1 ILE A 33 -22.001 3.136 -5.233 1.00 0.00 C ATOM 0 H ILE A 33 -20.441 2.320 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.319 4.939 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 33 -22.064 5.262 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -21.559 5.045 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -20.145 4.108 -5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.059 7.069 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.455 7.084 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -19.439 6.432 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -22.023 2.646 -6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -21.579 2.456 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -23.016 3.407 -4.940 1.00 0.00 H new ATOM 515 N LEU A 34 -20.796 5.058 -0.698 1.00 0.00 N ATOM 516 CA LEU A 34 -21.509 5.007 0.567 1.00 0.00 C ATOM 517 C LEU A 34 -23.002 5.258 0.371 1.00 0.00 C ATOM 518 O LEU A 34 -23.815 4.922 1.232 1.00 0.00 O ATOM 519 CB LEU A 34 -20.929 6.037 1.537 1.00 0.00 C ATOM 520 CG LEU A 34 -20.473 7.356 0.904 1.00 0.00 C ATOM 521 CD1 LEU A 34 -20.898 8.538 1.763 1.00 0.00 C ATOM 522 CD2 LEU A 34 -18.965 7.356 0.702 1.00 0.00 C ATOM 0 H LEU A 34 -20.102 5.803 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.385 4.008 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -21.680 6.259 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.079 5.588 2.051 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.951 7.453 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.565 9.465 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.984 8.548 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.450 8.448 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.658 8.300 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.469 7.235 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.686 6.533 0.044 1.00 0.00 H new ATOM 534 N SER A 35 -23.358 5.849 -0.765 1.00 0.00 N ATOM 535 CA SER A 35 -24.754 6.143 -1.069 1.00 0.00 C ATOM 536 C SER A 35 -25.599 4.872 -1.072 1.00 0.00 C ATOM 537 O SER A 35 -26.819 4.927 -0.919 1.00 0.00 O ATOM 538 CB SER A 35 -24.864 6.850 -2.418 1.00 0.00 C ATOM 539 OG SER A 35 -25.409 8.149 -2.270 1.00 0.00 O ATOM 0 H SER A 35 -22.699 6.134 -1.490 1.00 0.00 H new ATOM 0 HA SER A 35 -25.136 6.801 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.878 6.916 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 35 -25.491 6.263 -3.089 1.00 0.00 H new ATOM 0 HG SER A 35 -25.467 8.581 -3.148 1.00 0.00 H new ATOM 545 N ASP A 36 -24.944 3.730 -1.247 1.00 0.00 N ATOM 546 CA ASP A 36 -25.631 2.450 -1.269 1.00 0.00 C ATOM 547 C ASP A 36 -25.034 1.492 -0.242 1.00 0.00 C ATOM 548 O ASP A 36 -25.667 1.170 0.762 1.00 0.00 O ATOM 549 CB ASP A 36 -25.563 1.834 -2.669 1.00 0.00 C ATOM 550 CG ASP A 36 -26.914 1.810 -3.356 1.00 0.00 C ATOM 551 OD1 ASP A 36 -27.750 0.957 -2.991 1.00 0.00 O ATOM 552 OD2 ASP A 36 -27.136 2.644 -4.259 1.00 0.00 O ATOM 0 H ASP A 36 -23.934 3.668 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.676 2.621 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -24.859 2.400 -3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -25.177 0.817 -2.597 1.00 0.00 H new ATOM 557 N GLU A 37 -23.811 1.041 -0.502 1.00 0.00 N ATOM 558 CA GLU A 37 -23.129 0.119 0.399 1.00 0.00 C ATOM 559 C GLU A 37 -22.966 0.726 1.790 1.00 0.00 C ATOM 560 O GLU A 37 -22.791 0.007 2.774 1.00 0.00 O ATOM 561 CB GLU A 37 -21.765 -0.265 -0.170 1.00 0.00 C ATOM 562 CG GLU A 37 -21.626 -1.747 -0.465 1.00 0.00 C ATOM 563 CD GLU A 37 -21.371 -2.032 -1.932 1.00 0.00 C ATOM 564 OE1 GLU A 37 -22.056 -1.425 -2.782 1.00 0.00 O ATOM 565 OE2 GLU A 37 -20.486 -2.861 -2.231 1.00 0.00 O ATOM 0 H GLU A 37 -23.272 1.299 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.742 -0.778 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.592 0.297 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.989 0.031 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.807 -2.156 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -22.534 -2.262 -0.152 1.00 0.00 H new ATOM 572 N GLY A 38 -23.024 2.050 1.865 1.00 0.00 N ATOM 573 CA GLY A 38 -22.882 2.729 3.139 1.00 0.00 C ATOM 574 C GLY A 38 -21.544 2.458 3.801 1.00 0.00 C ATOM 575 O GLY A 38 -21.382 2.680 5.000 1.00 0.00 O ATOM 0 H GLY A 38 -23.167 2.666 1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.998 3.802 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.684 2.412 3.806 1.00 0.00 H new ATOM 579 N LYS A 39 -20.581 1.991 3.015 1.00 0.00 N ATOM 580 CA LYS A 39 -19.255 1.706 3.518 1.00 0.00 C ATOM 581 C LYS A 39 -18.214 2.007 2.451 1.00 0.00 C ATOM 582 O LYS A 39 -17.861 1.146 1.645 1.00 0.00 O ATOM 583 CB LYS A 39 -19.150 0.245 3.961 1.00 0.00 C ATOM 584 CG LYS A 39 -19.779 -0.026 5.318 1.00 0.00 C ATOM 585 CD LYS A 39 -19.083 -1.170 6.036 1.00 0.00 C ATOM 586 CE LYS A 39 -19.894 -1.658 7.225 1.00 0.00 C ATOM 587 NZ LYS A 39 -19.507 -0.963 8.484 1.00 0.00 N ATOM 0 H LYS A 39 -20.702 1.803 2.020 1.00 0.00 H new ATOM 0 HA LYS A 39 -19.069 2.343 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.630 -0.388 3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.099 -0.042 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -19.727 0.874 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -20.835 -0.264 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.924 -1.994 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.100 -0.844 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.955 -1.496 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.752 -2.732 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.083 -1.324 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.501 -1.138 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.666 0.059 8.379 1.00 0.00 H new ATOM 601 N MET A 40 -17.725 3.234 2.462 1.00 0.00 N ATOM 602 CA MET A 40 -16.719 3.671 1.513 1.00 0.00 C ATOM 603 C MET A 40 -15.816 4.726 2.137 1.00 0.00 C ATOM 604 O MET A 40 -16.057 5.926 2.003 1.00 0.00 O ATOM 605 CB MET A 40 -17.380 4.224 0.249 1.00 0.00 C ATOM 606 CG MET A 40 -16.625 3.892 -1.028 1.00 0.00 C ATOM 607 SD MET A 40 -15.512 5.215 -1.540 1.00 0.00 S ATOM 608 CE MET A 40 -16.674 6.384 -2.239 1.00 0.00 C ATOM 0 H MET A 40 -18.013 3.952 3.126 1.00 0.00 H new ATOM 0 HA MET A 40 -16.110 2.809 1.241 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.393 3.828 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.467 5.307 0.339 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.051 2.977 -0.879 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.339 3.694 -1.827 1.00 0.00 H new ATOM 0 HE1 MET A 40 -16.385 7.397 -1.958 1.00 0.00 H new ATOM 0 HE2 MET A 40 -16.672 6.294 -3.325 1.00 0.00 H new ATOM 0 HE3 MET A 40 -17.674 6.174 -1.860 1.00 0.00 H new ATOM 618 N TYR A 41 -14.776 4.268 2.820 1.00 0.00 N ATOM 619 CA TYR A 41 -13.830 5.160 3.468 1.00 0.00 C ATOM 620 C TYR A 41 -12.538 5.259 2.664 1.00 0.00 C ATOM 621 O TYR A 41 -12.425 4.690 1.578 1.00 0.00 O ATOM 622 CB TYR A 41 -13.525 4.690 4.898 1.00 0.00 C ATOM 623 CG TYR A 41 -13.876 3.242 5.168 1.00 0.00 C ATOM 624 CD1 TYR A 41 -15.200 2.838 5.282 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.882 2.282 5.310 1.00 0.00 C ATOM 626 CE1 TYR A 41 -15.524 1.517 5.529 1.00 0.00 C ATOM 627 CE2 TYR A 41 -13.198 0.959 5.557 1.00 0.00 C ATOM 628 CZ TYR A 41 -14.520 0.582 5.666 1.00 0.00 C ATOM 629 OH TYR A 41 -14.838 -0.734 5.911 1.00 0.00 O ATOM 0 H TYR A 41 -14.567 3.277 2.939 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.286 6.149 3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.464 4.837 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.072 5.321 5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.989 3.568 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.846 2.574 5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.559 1.219 5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.414 0.224 5.664 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.015 -1.262 5.979 1.00 0.00 H new ATOM 639 N GLY A 42 -11.564 5.984 3.205 1.00 0.00 N ATOM 640 CA GLY A 42 -10.293 6.144 2.525 1.00 0.00 C ATOM 641 C GLY A 42 -9.606 4.818 2.261 1.00 0.00 C ATOM 642 O GLY A 42 -9.350 4.049 3.187 1.00 0.00 O ATOM 0 H GLY A 42 -11.633 6.464 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.453 6.662 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.639 6.775 3.127 1.00 0.00 H new ATOM 646 N ARG A 43 -9.307 4.551 0.994 1.00 0.00 N ATOM 647 CA ARG A 43 -8.646 3.308 0.611 1.00 0.00 C ATOM 648 C ARG A 43 -7.296 3.166 1.306 1.00 0.00 C ATOM 649 O ARG A 43 -6.802 2.057 1.506 1.00 0.00 O ATOM 650 CB ARG A 43 -8.466 3.250 -0.904 1.00 0.00 C ATOM 651 CG ARG A 43 -9.228 2.112 -1.564 1.00 0.00 C ATOM 652 CD ARG A 43 -9.162 2.203 -3.080 1.00 0.00 C ATOM 653 NE ARG A 43 -9.076 0.885 -3.705 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.043 0.689 -5.021 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.088 1.721 -5.854 1.00 0.00 N ATOM 656 NH2 ARG A 43 -8.963 -0.543 -5.505 1.00 0.00 N ATOM 0 H ARG A 43 -9.511 5.178 0.216 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.279 2.479 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.794 4.195 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.405 3.146 -1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.814 1.158 -1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.269 2.135 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.045 2.723 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.296 2.799 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.039 0.067 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.148 2.671 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.062 1.565 -6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.927 -1.340 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.938 -0.694 -6.513 1.00 0.00 H new ATOM 670 N ASN A 44 -6.706 4.297 1.671 1.00 0.00 N ATOM 671 CA ASN A 44 -5.413 4.303 2.343 1.00 0.00 C ATOM 672 C ASN A 44 -5.507 3.654 3.719 1.00 0.00 C ATOM 673 O ASN A 44 -4.521 3.132 4.240 1.00 0.00 O ATOM 674 CB ASN A 44 -4.888 5.732 2.469 1.00 0.00 C ATOM 675 CG ASN A 44 -3.602 5.948 1.696 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.226 5.134 0.854 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.919 7.051 1.981 1.00 0.00 N ATOM 0 H ASN A 44 -7.103 5.223 1.513 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.716 3.721 1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.646 6.427 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.719 5.962 3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.045 7.250 1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.268 7.699 2.687 1.00 0.00 H new ATOM 684 N GLU A 45 -6.697 3.689 4.301 1.00 0.00 N ATOM 685 CA GLU A 45 -6.921 3.104 5.614 1.00 0.00 C ATOM 686 C GLU A 45 -6.935 1.583 5.534 1.00 0.00 C ATOM 687 O GLU A 45 -6.611 0.895 6.502 1.00 0.00 O ATOM 688 CB GLU A 45 -8.237 3.610 6.208 1.00 0.00 C ATOM 689 CG GLU A 45 -8.180 5.059 6.666 1.00 0.00 C ATOM 690 CD GLU A 45 -9.524 5.753 6.569 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.408 5.453 7.399 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.693 6.598 5.664 1.00 0.00 O ATOM 0 H GLU A 45 -7.523 4.117 3.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.101 3.409 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.027 3.503 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.510 2.980 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.829 5.097 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.452 5.599 6.061 1.00 0.00 H new ATOM 699 N LEU A 46 -7.312 1.066 4.372 1.00 0.00 N ATOM 700 CA LEU A 46 -7.369 -0.372 4.157 1.00 0.00 C ATOM 701 C LEU A 46 -5.973 -0.954 4.009 1.00 0.00 C ATOM 702 O LEU A 46 -5.674 -2.027 4.532 1.00 0.00 O ATOM 703 CB LEU A 46 -8.206 -0.695 2.922 1.00 0.00 C ATOM 704 CG LEU A 46 -9.274 -1.773 3.120 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.941 -2.108 1.796 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.663 -3.020 3.741 1.00 0.00 C ATOM 0 H LEU A 46 -7.583 1.624 3.562 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.840 -0.825 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.694 0.219 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.537 -1.012 2.122 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.033 -1.387 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.698 -2.876 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.412 -1.213 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.192 -2.475 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.437 -3.776 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.885 -3.409 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.229 -2.769 4.709 1.00 0.00 H new ATOM 718 N ILE A 47 -5.125 -0.235 3.296 1.00 0.00 N ATOM 719 CA ILE A 47 -3.758 -0.667 3.078 1.00 0.00 C ATOM 720 C ILE A 47 -2.922 -0.430 4.322 1.00 0.00 C ATOM 721 O ILE A 47 -2.010 -1.197 4.630 1.00 0.00 O ATOM 722 CB ILE A 47 -3.099 0.042 1.871 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.777 1.383 1.571 1.00 0.00 C ATOM 724 CG2 ILE A 47 -3.135 -0.856 0.644 1.00 0.00 C ATOM 725 CD1 ILE A 47 -3.012 2.243 0.590 1.00 0.00 C ATOM 0 H ILE A 47 -5.361 0.655 2.857 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.798 -1.733 2.856 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.060 0.244 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.775 1.195 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.902 1.934 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.668 -0.343 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.593 -1.779 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.170 -1.091 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.552 3.176 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.023 2.462 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.909 1.712 -0.356 1.00 0.00 H new ATOM 737 N ALA A 48 -3.252 0.630 5.042 1.00 0.00 N ATOM 738 CA ALA A 48 -2.548 0.963 6.265 1.00 0.00 C ATOM 739 C ALA A 48 -3.033 0.089 7.411 1.00 0.00 C ATOM 740 O ALA A 48 -2.307 -0.148 8.377 1.00 0.00 O ATOM 741 CB ALA A 48 -2.719 2.437 6.597 1.00 0.00 C ATOM 0 H ALA A 48 -4.004 1.274 4.798 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.485 0.772 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.183 2.667 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.319 3.042 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.778 2.660 6.728 1.00 0.00 H new ATOM 747 N ARG A 49 -4.259 -0.407 7.288 1.00 0.00 N ATOM 748 CA ARG A 49 -4.826 -1.275 8.303 1.00 0.00 C ATOM 749 C ARG A 49 -4.185 -2.652 8.221 1.00 0.00 C ATOM 750 O ARG A 49 -4.084 -3.365 9.220 1.00 0.00 O ATOM 751 CB ARG A 49 -6.343 -1.384 8.135 1.00 0.00 C ATOM 752 CG ARG A 49 -7.117 -0.329 8.909 1.00 0.00 C ATOM 753 CD ARG A 49 -8.523 -0.154 8.358 1.00 0.00 C ATOM 754 NE ARG A 49 -9.494 0.128 9.413 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.701 0.643 9.191 1.00 0.00 C ATOM 756 NH1 ARG A 49 -11.090 0.933 7.956 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.522 0.870 10.208 1.00 0.00 N ATOM 0 H ARG A 49 -4.875 -0.221 6.496 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.622 -0.845 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.590 -1.301 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.666 -2.373 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.170 -0.613 9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.586 0.621 8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.529 0.660 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.819 -1.058 7.826 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.231 -0.082 10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.463 0.761 7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.016 1.327 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.228 0.650 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.447 1.265 10.038 1.00 0.00 H new ATOM 771 N TYR A 50 -3.739 -3.010 7.023 1.00 0.00 N ATOM 772 CA TYR A 50 -3.089 -4.290 6.801 1.00 0.00 C ATOM 773 C TYR A 50 -1.735 -4.320 7.478 1.00 0.00 C ATOM 774 O TYR A 50 -1.432 -5.219 8.262 1.00 0.00 O ATOM 775 CB TYR A 50 -2.922 -4.550 5.315 1.00 0.00 C ATOM 776 CG TYR A 50 -2.754 -6.011 4.969 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.519 -6.631 5.096 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.827 -6.769 4.519 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.355 -7.966 4.783 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.672 -8.106 4.205 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.434 -8.700 4.338 1.00 0.00 C ATOM 782 OH TYR A 50 -2.275 -10.030 4.026 1.00 0.00 O ATOM 0 H TYR A 50 -3.817 -2.428 6.189 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.718 -5.070 7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.791 -4.158 4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.054 -3.998 4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.672 -6.060 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.797 -6.307 4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.387 -8.433 4.886 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.516 -8.683 3.857 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.154 -10.458 3.963 1.00 0.00 H new ATOM 792 N ILE A 51 -0.929 -3.323 7.169 1.00 0.00 N ATOM 793 CA ILE A 51 0.399 -3.213 7.743 1.00 0.00 C ATOM 794 C ILE A 51 0.317 -3.032 9.250 1.00 0.00 C ATOM 795 O ILE A 51 1.184 -3.493 9.993 1.00 0.00 O ATOM 796 CB ILE A 51 1.205 -2.049 7.129 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.284 -0.949 6.594 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.113 -2.565 6.024 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.927 0.420 6.572 1.00 0.00 C ATOM 0 H ILE A 51 -1.172 -2.574 6.521 1.00 0.00 H new ATOM 0 HA ILE A 51 0.920 -4.142 7.512 1.00 0.00 H new ATOM 0 HB ILE A 51 1.818 -1.613 7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.031 -1.210 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.616 -0.909 7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.676 -1.735 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.805 -3.300 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.509 -3.031 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.217 1.149 6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.217 0.702 7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.811 0.397 5.934 1.00 0.00 H new ATOM 811 N LYS A 52 -0.738 -2.366 9.691 1.00 0.00 N ATOM 812 CA LYS A 52 -0.953 -2.127 11.110 1.00 0.00 C ATOM 813 C LYS A 52 -1.347 -3.418 11.819 1.00 0.00 C ATOM 814 O LYS A 52 -1.098 -3.584 13.013 1.00 0.00 O ATOM 815 CB LYS A 52 -2.035 -1.065 11.315 1.00 0.00 C ATOM 816 CG LYS A 52 -2.243 -0.683 12.771 1.00 0.00 C ATOM 817 CD LYS A 52 -1.275 0.406 13.205 1.00 0.00 C ATOM 818 CE LYS A 52 -1.024 0.362 14.704 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.925 1.286 15.446 1.00 0.00 N ATOM 0 H LYS A 52 -1.462 -1.980 9.085 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.019 -1.765 11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.769 -0.173 10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.976 -1.433 10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.267 -0.339 12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.110 -1.562 13.402 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.331 0.288 12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.676 1.382 12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.169 -0.656 15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.014 0.627 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.722 1.226 16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.769 2.261 15.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.915 1.018 15.274 1.00 0.00 H new ATOM 833 N LEU A 53 -1.963 -4.327 11.073 1.00 0.00 N ATOM 834 CA LEU A 53 -2.394 -5.603 11.619 1.00 0.00 C ATOM 835 C LEU A 53 -1.258 -6.627 11.605 1.00 0.00 C ATOM 836 O LEU A 53 -1.329 -7.653 12.281 1.00 0.00 O ATOM 837 CB LEU A 53 -3.592 -6.138 10.828 1.00 0.00 C ATOM 838 CG LEU A 53 -4.901 -6.227 11.618 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.003 -5.445 10.920 1.00 0.00 C ATOM 840 CD2 LEU A 53 -5.314 -7.680 11.807 1.00 0.00 C ATOM 0 H LEU A 53 -2.175 -4.201 10.083 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.690 -5.441 12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.751 -5.497 9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.345 -7.130 10.450 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.738 -5.785 12.601 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.925 -5.521 11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.711 -4.398 10.839 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.165 -5.855 9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.246 -7.723 12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.457 -8.147 10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.535 -8.212 12.353 1.00 0.00 H new ATOM 852 N ARG A 54 -0.215 -6.345 10.828 1.00 0.00 N ATOM 853 CA ARG A 54 0.930 -7.246 10.724 1.00 0.00 C ATOM 854 C ARG A 54 1.515 -7.558 12.094 1.00 0.00 C ATOM 855 O ARG A 54 1.747 -8.718 12.436 1.00 0.00 O ATOM 856 CB ARG A 54 2.005 -6.636 9.824 1.00 0.00 C ATOM 857 CG ARG A 54 2.931 -7.667 9.198 1.00 0.00 C ATOM 858 CD ARG A 54 2.153 -8.705 8.405 1.00 0.00 C ATOM 859 NE ARG A 54 1.804 -9.867 9.218 1.00 0.00 N ATOM 860 CZ ARG A 54 0.898 -10.775 8.863 1.00 0.00 C ATOM 861 NH1 ARG A 54 0.248 -10.660 7.712 1.00 0.00 N ATOM 862 NH2 ARG A 54 0.641 -11.802 9.662 1.00 0.00 N ATOM 0 H ARG A 54 -0.139 -5.500 10.261 1.00 0.00 H new ATOM 0 HA ARG A 54 0.580 -8.180 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.522 -6.065 9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.599 -5.933 10.407 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.645 -7.167 8.543 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.508 -8.162 9.979 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.243 -8.252 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.746 -9.027 7.549 1.00 0.00 H new ATOM 0 HE ARG A 54 2.283 -9.990 10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.442 -9.872 7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.445 -11.359 7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.138 -11.896 10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.053 -12.498 9.390 1.00 0.00 H new ATOM 876 N THR A 55 1.750 -6.515 12.868 1.00 0.00 N ATOM 877 CA THR A 55 2.310 -6.661 14.204 1.00 0.00 C ATOM 878 C THR A 55 2.102 -5.395 15.030 1.00 0.00 C ATOM 879 O THR A 55 2.903 -5.077 15.908 1.00 0.00 O ATOM 880 CB THR A 55 3.800 -6.992 14.119 1.00 0.00 C ATOM 881 OG1 THR A 55 4.327 -7.273 15.403 1.00 0.00 O ATOM 882 CG2 THR A 55 4.629 -5.877 13.515 1.00 0.00 C ATOM 0 H THR A 55 1.561 -5.551 12.595 1.00 0.00 H new ATOM 0 HA THR A 55 1.789 -7.480 14.700 1.00 0.00 H new ATOM 0 HB THR A 55 3.864 -7.864 13.468 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.093 -6.547 16.019 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.676 -6.178 13.484 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.281 -5.672 12.503 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.527 -4.978 14.123 1.00 0.00 H new ATOM 890 N GLY A 56 1.021 -4.676 14.743 1.00 0.00 N ATOM 891 CA GLY A 56 0.728 -3.454 15.469 1.00 0.00 C ATOM 892 C GLY A 56 1.797 -2.391 15.290 1.00 0.00 C ATOM 893 O GLY A 56 1.840 -1.415 16.038 1.00 0.00 O ATOM 0 H GLY A 56 0.343 -4.918 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.231 -3.059 15.133 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.624 -3.683 16.530 1.00 0.00 H new ATOM 897 N LYS A 57 2.661 -2.578 14.296 1.00 0.00 N ATOM 898 CA LYS A 57 3.729 -1.628 14.025 1.00 0.00 C ATOM 899 C LYS A 57 3.192 -0.400 13.299 1.00 0.00 C ATOM 900 O LYS A 57 1.981 -0.234 13.154 1.00 0.00 O ATOM 901 CB LYS A 57 4.830 -2.289 13.198 1.00 0.00 C ATOM 902 CG LYS A 57 6.178 -2.330 13.900 1.00 0.00 C ATOM 903 CD LYS A 57 6.079 -3.003 15.260 1.00 0.00 C ATOM 904 CE LYS A 57 7.269 -3.912 15.521 1.00 0.00 C ATOM 905 NZ LYS A 57 6.968 -4.939 16.556 1.00 0.00 N ATOM 0 H LYS A 57 2.640 -3.380 13.666 1.00 0.00 H new ATOM 0 HA LYS A 57 4.148 -1.307 14.978 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.527 -3.307 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.937 -1.752 12.256 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.896 -2.866 13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.557 -1.315 14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.023 -2.243 16.040 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.158 -3.584 15.313 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.559 -4.406 14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.120 -3.312 15.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.805 -5.538 16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.716 -4.469 17.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.172 -5.529 16.239 1.00 0.00 H new ATOM 919 N THR A 58 4.099 0.460 12.843 1.00 0.00 N ATOM 920 CA THR A 58 3.715 1.674 12.129 1.00 0.00 C ATOM 921 C THR A 58 2.689 1.364 11.041 1.00 0.00 C ATOM 922 O THR A 58 2.435 0.200 10.730 1.00 0.00 O ATOM 923 CB THR A 58 4.949 2.338 11.513 1.00 0.00 C ATOM 924 OG1 THR A 58 4.616 3.599 10.956 1.00 0.00 O ATOM 925 CG2 THR A 58 5.597 1.508 10.424 1.00 0.00 C ATOM 0 H THR A 58 5.105 0.338 12.955 1.00 0.00 H new ATOM 0 HA THR A 58 3.261 2.360 12.844 1.00 0.00 H new ATOM 0 HB THR A 58 5.658 2.445 12.334 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.418 4.008 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.465 2.037 10.031 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.912 0.549 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.880 1.339 9.620 1.00 0.00 H new ATOM 933 N ARG A 59 2.110 2.408 10.460 1.00 0.00 N ATOM 934 CA ARG A 59 1.129 2.244 9.407 1.00 0.00 C ATOM 935 C ARG A 59 1.083 3.486 8.530 1.00 0.00 C ATOM 936 O ARG A 59 0.089 4.211 8.504 1.00 0.00 O ATOM 937 CB ARG A 59 -0.253 1.964 10.000 1.00 0.00 C ATOM 938 CG ARG A 59 -0.773 3.087 10.884 1.00 0.00 C ATOM 939 CD ARG A 59 -2.221 3.426 10.565 1.00 0.00 C ATOM 940 NE ARG A 59 -3.129 2.337 10.918 1.00 0.00 N ATOM 941 CZ ARG A 59 -4.454 2.416 10.820 1.00 0.00 C ATOM 942 NH1 ARG A 59 -5.029 3.530 10.382 1.00 0.00 N ATOM 943 NH2 ARG A 59 -5.207 1.379 11.161 1.00 0.00 N ATOM 0 H ARG A 59 2.307 3.378 10.705 1.00 0.00 H new ATOM 0 HA ARG A 59 1.422 1.392 8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.960 1.794 9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.210 1.044 10.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.689 2.795 11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.153 3.973 10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.510 4.328 11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.316 3.647 9.502 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.724 1.465 11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.455 4.331 10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.045 3.585 10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.771 0.521 11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.222 1.439 11.086 1.00 0.00 H new ATOM 957 N THR A 60 2.171 3.718 7.812 1.00 0.00 N ATOM 958 CA THR A 60 2.271 4.869 6.921 1.00 0.00 C ATOM 959 C THR A 60 1.149 4.846 5.887 1.00 0.00 C ATOM 960 O THR A 60 0.655 3.781 5.520 1.00 0.00 O ATOM 961 CB THR A 60 3.633 4.887 6.219 1.00 0.00 C ATOM 962 OG1 THR A 60 4.333 3.674 6.440 1.00 0.00 O ATOM 963 CG2 THR A 60 4.524 6.024 6.675 1.00 0.00 C ATOM 0 H THR A 60 3.000 3.124 7.827 1.00 0.00 H new ATOM 0 HA THR A 60 2.174 5.774 7.521 1.00 0.00 H new ATOM 0 HB THR A 60 3.410 5.022 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.999 2.987 5.826 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.473 5.980 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.034 6.976 6.468 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.707 5.936 7.746 1.00 0.00 H new ATOM 971 N ARG A 61 0.748 6.025 5.423 1.00 0.00 N ATOM 972 CA ARG A 61 -0.313 6.133 4.437 1.00 0.00 C ATOM 973 C ARG A 61 0.238 6.589 3.097 1.00 0.00 C ATOM 974 O ARG A 61 0.221 5.848 2.114 1.00 0.00 O ATOM 975 CB ARG A 61 -1.394 7.102 4.918 1.00 0.00 C ATOM 976 CG ARG A 61 -2.491 6.434 5.732 1.00 0.00 C ATOM 977 CD ARG A 61 -3.125 7.403 6.718 1.00 0.00 C ATOM 978 NE ARG A 61 -4.482 7.775 6.323 1.00 0.00 N ATOM 979 CZ ARG A 61 -4.761 8.699 5.405 1.00 0.00 C ATOM 980 NH1 ARG A 61 -3.782 9.346 4.786 1.00 0.00 N ATOM 981 NH2 ARG A 61 -6.022 8.975 5.106 1.00 0.00 N ATOM 0 H ARG A 61 1.144 6.918 5.716 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.757 5.146 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.929 7.882 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.842 7.592 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.256 6.044 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.077 5.583 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.147 6.949 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.510 8.300 6.792 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.261 7.299 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.810 9.137 5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.002 10.053 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.778 8.480 5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.236 9.682 4.403 1.00 0.00 H new ATOM 995 N LYS A 62 0.727 7.814 3.077 1.00 0.00 N ATOM 996 CA LYS A 62 1.295 8.399 1.870 1.00 0.00 C ATOM 997 C LYS A 62 2.391 7.512 1.296 1.00 0.00 C ATOM 998 O LYS A 62 2.617 7.486 0.086 1.00 0.00 O ATOM 999 CB LYS A 62 1.849 9.788 2.173 1.00 0.00 C ATOM 1000 CG LYS A 62 1.286 10.879 1.276 1.00 0.00 C ATOM 1001 CD LYS A 62 0.130 11.606 1.943 1.00 0.00 C ATOM 1002 CE LYS A 62 -0.120 12.961 1.301 1.00 0.00 C ATOM 1003 NZ LYS A 62 0.941 13.945 1.649 1.00 0.00 N ATOM 0 H LYS A 62 0.744 8.431 3.889 1.00 0.00 H new ATOM 0 HA LYS A 62 0.502 8.484 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.633 10.037 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.934 9.768 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.073 11.592 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.949 10.441 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.772 10.998 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.345 11.739 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.167 12.846 0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.089 13.342 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.603 14.907 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.170 13.866 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.793 13.751 1.085 1.00 0.00 H new ATOM 1017 N GLN A 63 3.067 6.787 2.174 1.00 0.00 N ATOM 1018 CA GLN A 63 4.140 5.896 1.763 1.00 0.00 C ATOM 1019 C GLN A 63 3.583 4.632 1.122 1.00 0.00 C ATOM 1020 O GLN A 63 4.201 4.050 0.231 1.00 0.00 O ATOM 1021 CB GLN A 63 5.025 5.540 2.956 1.00 0.00 C ATOM 1022 CG GLN A 63 6.462 6.011 2.809 1.00 0.00 C ATOM 1023 CD GLN A 63 7.407 4.888 2.428 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.005 3.907 1.804 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.673 5.027 2.805 1.00 0.00 N ATOM 0 H GLN A 63 2.890 6.799 3.179 1.00 0.00 H new ATOM 0 HA GLN A 63 4.746 6.416 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.598 5.978 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.018 4.459 3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.509 6.793 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.792 6.456 3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.963 5.857 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.355 4.303 2.578 1.00 0.00 H new ATOM 1034 N VAL A 64 2.411 4.217 1.580 1.00 0.00 N ATOM 1035 CA VAL A 64 1.767 3.027 1.051 1.00 0.00 C ATOM 1036 C VAL A 64 1.060 3.322 -0.267 1.00 0.00 C ATOM 1037 O VAL A 64 0.764 2.410 -1.036 1.00 0.00 O ATOM 1038 CB VAL A 64 0.751 2.434 2.047 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.174 1.131 1.513 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.397 2.217 3.406 1.00 0.00 C ATOM 0 H VAL A 64 1.887 4.688 2.318 1.00 0.00 H new ATOM 0 HA VAL A 64 2.558 2.296 0.881 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.066 3.146 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.541 0.729 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.330 1.318 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.979 0.412 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.663 1.798 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.235 1.527 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.756 3.170 3.794 1.00 0.00 H new ATOM 1050 N SER A 65 0.805 4.598 -0.530 1.00 0.00 N ATOM 1051 CA SER A 65 0.150 5.000 -1.761 1.00 0.00 C ATOM 1052 C SER A 65 1.186 5.207 -2.850 1.00 0.00 C ATOM 1053 O SER A 65 0.928 4.979 -4.032 1.00 0.00 O ATOM 1054 CB SER A 65 -0.663 6.278 -1.550 1.00 0.00 C ATOM 1055 OG SER A 65 -1.867 6.247 -2.296 1.00 0.00 O ATOM 0 H SER A 65 1.043 5.369 0.094 1.00 0.00 H new ATOM 0 HA SER A 65 -0.535 4.209 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.891 6.397 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.070 7.143 -1.847 1.00 0.00 H new ATOM 0 HG SER A 65 -2.369 7.075 -2.142 1.00 0.00 H new ATOM 1061 N SER A 66 2.368 5.628 -2.429 1.00 0.00 N ATOM 1062 CA SER A 66 3.472 5.858 -3.338 1.00 0.00 C ATOM 1063 C SER A 66 4.035 4.536 -3.833 1.00 0.00 C ATOM 1064 O SER A 66 4.518 4.431 -4.960 1.00 0.00 O ATOM 1065 CB SER A 66 4.557 6.661 -2.636 1.00 0.00 C ATOM 1066 OG SER A 66 5.000 7.741 -3.439 1.00 0.00 O ATOM 0 H SER A 66 2.586 5.818 -1.451 1.00 0.00 H new ATOM 0 HA SER A 66 3.110 6.422 -4.198 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.175 7.042 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.399 6.010 -2.401 1.00 0.00 H new ATOM 0 HG SER A 66 5.695 8.240 -2.962 1.00 0.00 H new ATOM 1072 N HIS A 67 3.970 3.530 -2.972 1.00 0.00 N ATOM 1073 CA HIS A 67 4.473 2.205 -3.303 1.00 0.00 C ATOM 1074 C HIS A 67 3.596 1.530 -4.348 1.00 0.00 C ATOM 1075 O HIS A 67 4.086 0.784 -5.196 1.00 0.00 O ATOM 1076 CB HIS A 67 4.558 1.337 -2.046 1.00 0.00 C ATOM 1077 CG HIS A 67 5.457 0.150 -2.199 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.237 -1.164 -1.956 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.756 0.241 -2.651 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.396 -1.834 -2.263 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.296 -0.964 -2.680 1.00 0.00 N flip ATOM 0 H HIS A 67 3.572 3.607 -2.036 1.00 0.00 H new ATOM 0 HA HIS A 67 5.473 2.321 -3.721 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.914 1.948 -1.216 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.558 0.993 -1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.255 1.155 -2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.546 -2.900 -2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.247 -1.185 -2.975 1.00 0.00 H new ATOM 1090 N ILE A 68 2.301 1.798 -4.285 1.00 0.00 N ATOM 1091 CA ILE A 68 1.361 1.218 -5.232 1.00 0.00 C ATOM 1092 C ILE A 68 1.496 1.873 -6.599 1.00 0.00 C ATOM 1093 O ILE A 68 1.197 1.264 -7.626 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.098 1.349 -4.750 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.227 0.891 -3.297 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.028 0.540 -5.644 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.355 1.567 -2.551 1.00 0.00 C ATOM 0 H ILE A 68 1.877 2.412 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 68 1.606 0.159 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.386 2.399 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.383 -0.188 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.711 1.087 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.054 0.643 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.959 0.907 -6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.738 -0.510 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.388 1.195 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.190 2.644 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.301 1.350 -3.047 1.00 0.00 H new ATOM 1109 N GLN A 69 1.955 3.118 -6.603 1.00 0.00 N ATOM 1110 CA GLN A 69 2.139 3.859 -7.839 1.00 0.00 C ATOM 1111 C GLN A 69 3.364 3.358 -8.591 1.00 0.00 C ATOM 1112 O GLN A 69 3.423 3.423 -9.818 1.00 0.00 O ATOM 1113 CB GLN A 69 2.272 5.356 -7.551 1.00 0.00 C ATOM 1114 CG GLN A 69 1.004 5.982 -6.993 1.00 0.00 C ATOM 1115 CD GLN A 69 0.685 7.320 -7.631 1.00 0.00 C ATOM 1116 OE1 GLN A 69 1.067 7.584 -8.771 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -0.019 8.173 -6.897 1.00 0.00 N ATOM 0 H GLN A 69 2.207 3.635 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 69 1.261 3.699 -8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.086 5.511 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.548 5.872 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.168 5.301 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.111 6.113 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.315 7.913 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.264 9.089 -7.274 1.00 0.00 H new ATOM 1126 N VAL A 70 4.338 2.854 -7.844 1.00 0.00 N ATOM 1127 CA VAL A 70 5.560 2.334 -8.437 1.00 0.00 C ATOM 1128 C VAL A 70 5.304 1.011 -9.144 1.00 0.00 C ATOM 1129 O VAL A 70 5.982 0.669 -10.112 1.00 0.00 O ATOM 1130 CB VAL A 70 6.668 2.139 -7.394 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.029 2.066 -8.068 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.638 3.249 -6.353 1.00 0.00 C ATOM 0 H VAL A 70 4.304 2.795 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 70 5.893 3.077 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 70 6.489 1.194 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.802 1.928 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.046 1.226 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.215 2.992 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.433 3.087 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.785 4.211 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.674 3.244 -5.844 1.00 0.00 H new ATOM 1142 N LEU A 71 4.316 0.275 -8.654 1.00 0.00 N ATOM 1143 CA LEU A 71 3.960 -1.009 -9.239 1.00 0.00 C ATOM 1144 C LEU A 71 3.280 -0.817 -10.588 1.00 0.00 C ATOM 1145 O LEU A 71 3.372 -1.671 -11.470 1.00 0.00 O ATOM 1146 CB LEU A 71 3.051 -1.793 -8.293 1.00 0.00 C ATOM 1147 CG LEU A 71 3.623 -3.124 -7.802 1.00 0.00 C ATOM 1148 CD1 LEU A 71 4.502 -2.909 -6.579 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.500 -4.101 -7.488 1.00 0.00 C ATOM 0 H LEU A 71 3.747 0.546 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 71 4.876 -1.579 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.828 -1.169 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.105 -1.986 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 71 4.238 -3.549 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.900 -3.867 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.326 -2.243 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.911 -2.462 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.924 -5.043 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.860 -3.682 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.910 -4.279 -8.387 1.00 0.00 H new ATOM 1161 N ALA A 72 2.602 0.312 -10.739 1.00 0.00 N ATOM 1162 CA ALA A 72 1.908 0.626 -11.978 1.00 0.00 C ATOM 1163 C ALA A 72 2.898 0.954 -13.088 1.00 0.00 C ATOM 1164 O ALA A 72 2.615 0.751 -14.268 1.00 0.00 O ATOM 1165 CB ALA A 72 0.942 1.782 -11.767 1.00 0.00 C ATOM 0 H ALA A 72 2.518 1.027 -10.016 1.00 0.00 H new ATOM 0 HA ALA A 72 1.339 -0.253 -12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.431 2.005 -12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.208 1.509 -11.009 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.494 2.662 -11.437 1.00 0.00 H new ATOM 1171 N ARG A 73 4.060 1.461 -12.697 1.00 0.00 N ATOM 1172 CA ARG A 73 5.099 1.817 -13.651 1.00 0.00 C ATOM 1173 C ARG A 73 5.746 0.569 -14.239 1.00 0.00 C ATOM 1174 O ARG A 73 6.235 0.582 -15.369 1.00 0.00 O ATOM 1175 CB ARG A 73 6.160 2.693 -12.983 1.00 0.00 C ATOM 1176 CG ARG A 73 5.740 4.146 -12.829 1.00 0.00 C ATOM 1177 CD ARG A 73 6.946 5.067 -12.735 1.00 0.00 C ATOM 1178 NE ARG A 73 6.726 6.162 -11.793 1.00 0.00 N ATOM 1179 CZ ARG A 73 7.684 6.987 -11.379 1.00 0.00 C ATOM 1180 NH1 ARG A 73 8.928 6.845 -11.819 1.00 0.00 N ATOM 1181 NH2 ARG A 73 7.399 7.957 -10.521 1.00 0.00 N ATOM 0 H ARG A 73 4.306 1.635 -11.722 1.00 0.00 H new ATOM 0 HA ARG A 73 4.636 2.380 -14.461 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.390 2.284 -11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.078 2.649 -13.570 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.122 4.439 -13.678 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.126 4.256 -11.935 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.818 4.492 -12.425 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.168 5.476 -13.721 1.00 0.00 H new ATOM 0 HE ARG A 73 5.783 6.302 -11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.154 6.100 -12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.658 7.481 -11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.445 8.071 -10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.134 8.589 -10.204 1.00 0.00 H new ATOM 1195 N ARG A 74 5.745 -0.505 -13.462 1.00 0.00 N ATOM 1196 CA ARG A 74 6.330 -1.765 -13.897 1.00 0.00 C ATOM 1197 C ARG A 74 5.440 -2.456 -14.924 1.00 0.00 C ATOM 1198 O ARG A 74 5.916 -3.233 -15.752 1.00 0.00 O ATOM 1199 CB ARG A 74 6.559 -2.688 -12.698 1.00 0.00 C ATOM 1200 CG ARG A 74 7.754 -3.613 -12.862 1.00 0.00 C ATOM 1201 CD ARG A 74 9.066 -2.856 -12.730 1.00 0.00 C ATOM 1202 NE ARG A 74 10.140 -3.707 -12.224 1.00 0.00 N ATOM 1203 CZ ARG A 74 11.271 -3.240 -11.699 1.00 0.00 C ATOM 1204 NH1 ARG A 74 11.478 -1.932 -11.610 1.00 0.00 N ATOM 1205 NH2 ARG A 74 12.196 -4.083 -11.262 1.00 0.00 N ATOM 0 H ARG A 74 5.344 -0.529 -12.524 1.00 0.00 H new ATOM 0 HA ARG A 74 7.289 -1.546 -14.366 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.700 -2.080 -11.804 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.664 -3.289 -12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.711 -4.402 -12.111 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.709 -4.098 -13.837 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.351 -2.452 -13.701 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.929 -2.008 -12.060 1.00 0.00 H new ATOM 0 HE ARG A 74 10.016 -4.718 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.769 -1.280 -11.945 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.346 -1.579 -11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.041 -5.089 -11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.063 -3.726 -10.860 1.00 0.00 H new ATOM 1219 N LYS A 75 4.147 -2.169 -14.862 1.00 0.00 N ATOM 1220 CA LYS A 75 3.187 -2.760 -15.779 1.00 0.00 C ATOM 1221 C LYS A 75 3.017 -1.902 -17.029 1.00 0.00 C ATOM 1222 O LYS A 75 2.622 -2.396 -18.085 1.00 0.00 O ATOM 1223 CB LYS A 75 1.836 -2.949 -15.086 1.00 0.00 C ATOM 1224 CG LYS A 75 0.877 -3.840 -15.857 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.448 -3.993 -15.127 1.00 0.00 C ATOM 1226 CE LYS A 75 -1.463 -4.750 -15.968 1.00 0.00 C ATOM 1227 NZ LYS A 75 -2.517 -5.385 -15.129 1.00 0.00 N ATOM 0 H LYS A 75 3.739 -1.527 -14.182 1.00 0.00 H new ATOM 0 HA LYS A 75 3.571 -3.733 -16.084 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.001 -3.377 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.373 -1.973 -14.938 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.702 -3.418 -16.847 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.328 -4.821 -16.004 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.288 -4.520 -14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.843 -3.008 -14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.928 -4.066 -16.679 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.952 -5.517 -16.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.189 -5.891 -15.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.077 -6.056 -14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.022 -4.651 -14.592 1.00 0.00 H new ATOM 1241 N SER A 76 3.312 -0.614 -16.900 1.00 0.00 N ATOM 1242 CA SER A 76 3.186 0.315 -18.015 1.00 0.00 C ATOM 1243 C SER A 76 4.288 0.101 -19.047 1.00 0.00 C ATOM 1244 O SER A 76 4.155 0.504 -20.202 1.00 0.00 O ATOM 1245 CB SER A 76 3.217 1.759 -17.510 1.00 0.00 C ATOM 1246 OG SER A 76 2.378 2.591 -18.293 1.00 0.00 O ATOM 0 H SER A 76 3.641 -0.189 -16.033 1.00 0.00 H new ATOM 0 HA SER A 76 2.228 0.124 -18.499 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.896 1.790 -16.469 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.239 2.136 -17.540 1.00 0.00 H new ATOM 0 HG SER A 76 2.414 3.508 -17.949 1.00 0.00 H new ATOM 1252 N ARG A 77 5.374 -0.538 -18.628 1.00 0.00 N ATOM 1253 CA ARG A 77 6.492 -0.805 -19.525 1.00 0.00 C ATOM 1254 C ARG A 77 6.076 -1.744 -20.658 1.00 0.00 C ATOM 1255 O ARG A 77 6.788 -1.879 -21.653 1.00 0.00 O ATOM 1256 CB ARG A 77 7.666 -1.408 -18.749 1.00 0.00 C ATOM 1257 CG ARG A 77 7.388 -2.800 -18.203 1.00 0.00 C ATOM 1258 CD ARG A 77 8.250 -3.851 -18.885 1.00 0.00 C ATOM 1259 NE ARG A 77 7.653 -4.327 -20.130 1.00 0.00 N ATOM 1260 CZ ARG A 77 8.319 -5.009 -21.059 1.00 0.00 C ATOM 1261 NH1 ARG A 77 9.603 -5.298 -20.886 1.00 0.00 N ATOM 1262 NH2 ARG A 77 7.700 -5.405 -22.163 1.00 0.00 N ATOM 0 H ARG A 77 5.504 -0.880 -17.676 1.00 0.00 H new ATOM 0 HA ARG A 77 6.805 0.143 -19.963 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.538 -1.451 -19.402 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.920 -0.747 -17.921 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.576 -2.815 -17.130 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.335 -3.044 -18.345 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.235 -3.433 -19.092 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.397 -4.693 -18.209 1.00 0.00 H new ATOM 0 HE ARG A 77 6.667 -4.125 -20.298 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.084 -4.997 -20.038 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.109 -5.821 -21.601 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.713 -5.187 -22.301 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.211 -5.928 -22.875 1.00 0.00 H new ATOM 1276 N ASP A 78 4.923 -2.392 -20.502 1.00 0.00 N ATOM 1277 CA ASP A 78 4.425 -3.315 -21.513 1.00 0.00 C ATOM 1278 C ASP A 78 4.042 -2.579 -22.793 1.00 0.00 C ATOM 1279 O ASP A 78 4.004 -3.170 -23.873 1.00 0.00 O ATOM 1280 CB ASP A 78 3.226 -4.093 -20.975 1.00 0.00 C ATOM 1281 CG ASP A 78 3.488 -5.585 -20.903 1.00 0.00 C ATOM 1282 OD1 ASP A 78 3.997 -6.049 -19.861 1.00 0.00 O ATOM 1283 OD2 ASP A 78 3.184 -6.289 -21.889 1.00 0.00 O ATOM 0 H ASP A 78 4.319 -2.293 -19.686 1.00 0.00 H new ATOM 0 HA ASP A 78 5.226 -4.015 -21.752 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.973 -3.723 -19.981 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.362 -3.909 -21.613 1.00 0.00 H new