USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 309 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 Single : A 12 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 13 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0.011) USER MOD Single : A 18 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4!) USER MOD Single : A 25 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.3) USER MOD Single : A 28 GLN : amide:sc=-0.00804 K(o=-0.008,f=0.75) USER MOD Single : A 29 GLN : amide:sc= -0.527 K(o=-0.53,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.717 X(o=-0.72,f=-0.59) USER MOD Single : A 40 ASN : amide:sc=-0.00558 X(o=-0.0056,f=-0.028) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 44 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.49) USER MOD Single : A 45 GLN : amide:sc= -1.16 K(o=-1.2,f=-4!) USER MOD Single : A 46 CYS SG : rot 98:sc= -0.547 USER MOD Single : A 47 GLN : amide:sc= -5.6! C(o=-5.6!,f=-7.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N TRP A 11 6.908 -5.073 -4.602 1.00 0.00 N ATOM 113 CA TRP A 11 6.473 -4.935 -3.222 1.00 0.00 C ATOM 114 C TRP A 11 6.577 -6.307 -2.554 1.00 0.00 C ATOM 115 O TRP A 11 5.836 -7.226 -2.898 1.00 0.00 O ATOM 116 CB TRP A 11 5.066 -4.339 -3.149 1.00 0.00 C ATOM 117 CG TRP A 11 5.041 -2.828 -2.913 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.517 -1.860 -3.708 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.490 -2.145 -1.766 1.00 0.00 C ATOM 120 NE1 TRP A 11 5.314 -0.609 -3.161 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.669 -0.789 -1.941 1.00 0.00 C ATOM 122 CE3 TRP A 11 3.861 -2.659 -0.618 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.247 0.167 -1.011 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.445 -1.690 0.304 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.618 -0.320 0.141 1.00 0.00 C ATOM 0 HA TRP A 11 7.113 -4.237 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.541 -4.560 -4.078 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.516 -4.831 -2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.999 -2.037 -4.658 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.586 0.283 -3.575 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.711 -3.717 -0.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.398 1.224 -1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.956 -2.031 1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.269 0.365 0.899 1.00 0.00 H new ATOM 135 N THR A 12 7.503 -6.402 -1.610 1.00 0.00 N ATOM 136 CA THR A 12 7.713 -7.646 -0.891 1.00 0.00 C ATOM 137 C THR A 12 6.486 -7.986 -0.043 1.00 0.00 C ATOM 138 O THR A 12 5.692 -7.107 0.287 1.00 0.00 O ATOM 139 CB THR A 12 8.997 -7.507 -0.072 1.00 0.00 C ATOM 140 OG1 THR A 12 8.928 -6.188 0.462 1.00 0.00 O ATOM 141 CG2 THR A 12 10.251 -7.489 -0.949 1.00 0.00 C ATOM 0 H THR A 12 8.116 -5.637 -1.327 1.00 0.00 H new ATOM 0 HA THR A 12 7.837 -8.483 -1.578 1.00 0.00 H new ATOM 0 HB THR A 12 9.064 -8.329 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.722 -6.015 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.134 -7.389 -0.319 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.313 -8.419 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.200 -6.647 -1.639 1.00 0.00 H new ATOM 149 N HIS A 13 6.369 -9.264 0.285 1.00 0.00 N ATOM 150 CA HIS A 13 5.251 -9.731 1.089 1.00 0.00 C ATOM 151 C HIS A 13 5.218 -8.967 2.414 1.00 0.00 C ATOM 152 O HIS A 13 4.175 -8.448 2.809 1.00 0.00 O ATOM 153 CB HIS A 13 5.317 -11.248 1.280 1.00 0.00 C ATOM 154 CG HIS A 13 4.006 -11.871 1.697 1.00 0.00 C ATOM 155 ND1 HIS A 13 3.660 -13.172 1.378 1.00 0.00 N ATOM 156 CD2 HIS A 13 2.964 -11.359 2.413 1.00 0.00 C ATOM 157 CE1 HIS A 13 2.459 -13.421 1.883 1.00 0.00 C ATOM 158 NE2 HIS A 13 2.029 -12.296 2.522 1.00 0.00 N ATOM 0 H HIS A 13 7.029 -9.991 0.009 1.00 0.00 H new ATOM 0 HA HIS A 13 4.314 -9.529 0.570 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.646 -11.707 0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.072 -11.477 2.032 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.909 -10.361 2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.917 -14.352 1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.136 -12.191 3.004 1.00 0.00 H new ATOM 165 N GLU A 14 6.371 -8.923 3.065 1.00 0.00 N ATOM 166 CA GLU A 14 6.486 -8.231 4.336 1.00 0.00 C ATOM 167 C GLU A 14 5.908 -6.819 4.228 1.00 0.00 C ATOM 168 O GLU A 14 5.398 -6.276 5.206 1.00 0.00 O ATOM 169 CB GLU A 14 7.941 -8.194 4.811 1.00 0.00 C ATOM 170 CG GLU A 14 8.247 -9.375 5.734 1.00 0.00 C ATOM 171 CD GLU A 14 9.514 -10.106 5.286 1.00 0.00 C ATOM 172 OE1 GLU A 14 10.548 -10.029 5.967 1.00 0.00 O ATOM 173 OE2 GLU A 14 9.400 -10.774 4.188 1.00 0.00 O ATOM 0 H GLU A 14 7.234 -9.356 2.735 1.00 0.00 H new ATOM 0 HA GLU A 14 5.909 -8.781 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.609 -8.218 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.132 -7.258 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.370 -9.019 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.405 -10.067 5.736 1.00 0.00 H new ATOM 179 N GLU A 15 6.008 -6.265 3.028 1.00 0.00 N ATOM 180 CA GLU A 15 5.502 -4.926 2.778 1.00 0.00 C ATOM 181 C GLU A 15 3.988 -4.962 2.566 1.00 0.00 C ATOM 182 O GLU A 15 3.259 -4.139 3.119 1.00 0.00 O ATOM 183 CB GLU A 15 6.209 -4.286 1.582 1.00 0.00 C ATOM 184 CG GLU A 15 7.583 -3.745 1.981 1.00 0.00 C ATOM 185 CD GLU A 15 7.604 -2.216 1.933 1.00 0.00 C ATOM 186 OE1 GLU A 15 6.540 -1.580 1.945 1.00 0.00 O ATOM 187 OE2 GLU A 15 8.780 -1.688 1.881 1.00 0.00 O ATOM 0 H GLU A 15 6.432 -6.719 2.219 1.00 0.00 H new ATOM 0 HA GLU A 15 5.712 -4.311 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.321 -5.022 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.597 -3.476 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.834 -4.085 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.344 -4.144 1.310 1.00 0.00 H new ATOM 193 N ASP A 16 3.558 -5.925 1.763 1.00 0.00 N ATOM 194 CA ASP A 16 2.143 -6.080 1.470 1.00 0.00 C ATOM 195 C ASP A 16 1.390 -6.391 2.764 1.00 0.00 C ATOM 196 O ASP A 16 0.373 -5.765 3.061 1.00 0.00 O ATOM 197 CB ASP A 16 1.905 -7.234 0.494 1.00 0.00 C ATOM 198 CG ASP A 16 0.445 -7.667 0.349 1.00 0.00 C ATOM 199 OD1 ASP A 16 -0.298 -7.752 1.337 1.00 0.00 O ATOM 200 OD2 ASP A 16 0.072 -7.926 -0.859 1.00 0.00 O ATOM 0 H ASP A 16 4.165 -6.606 1.306 1.00 0.00 H new ATOM 0 HA ASP A 16 1.788 -5.152 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.281 -6.944 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.492 -8.093 0.820 1.00 0.00 H new ATOM 205 N GLU A 17 1.917 -7.358 3.500 1.00 0.00 N ATOM 206 CA GLU A 17 1.307 -7.761 4.757 1.00 0.00 C ATOM 207 C GLU A 17 1.252 -6.576 5.722 1.00 0.00 C ATOM 208 O GLU A 17 0.294 -6.432 6.480 1.00 0.00 O ATOM 209 CB GLU A 17 2.057 -8.940 5.377 1.00 0.00 C ATOM 210 CG GLU A 17 3.568 -8.699 5.363 1.00 0.00 C ATOM 211 CD GLU A 17 4.141 -8.723 6.781 1.00 0.00 C ATOM 212 OE1 GLU A 17 4.574 -9.783 7.257 1.00 0.00 O ATOM 213 OE2 GLU A 17 4.126 -7.588 7.394 1.00 0.00 O ATOM 0 H GLU A 17 2.760 -7.875 3.250 1.00 0.00 H new ATOM 0 HA GLU A 17 0.287 -8.089 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.719 -9.092 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.826 -9.852 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.056 -9.462 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.782 -7.737 4.897 1.00 0.00 H new ATOM 219 N GLN A 18 2.293 -5.758 5.667 1.00 0.00 N ATOM 220 CA GLN A 18 2.376 -4.591 6.527 1.00 0.00 C ATOM 221 C GLN A 18 1.221 -3.632 6.234 1.00 0.00 C ATOM 222 O GLN A 18 0.307 -3.487 7.044 1.00 0.00 O ATOM 223 CB GLN A 18 3.726 -3.888 6.371 1.00 0.00 C ATOM 224 CG GLN A 18 4.689 -4.296 7.488 1.00 0.00 C ATOM 225 CD GLN A 18 6.108 -4.484 6.947 1.00 0.00 C ATOM 226 OE1 GLN A 18 6.544 -3.810 6.028 1.00 0.00 O ATOM 227 NE2 GLN A 18 6.802 -5.433 7.568 1.00 0.00 N ATOM 0 H GLN A 18 3.087 -5.881 5.039 1.00 0.00 H new ATOM 0 HA GLN A 18 2.294 -4.922 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.160 -4.137 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.582 -2.808 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.691 -3.534 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.346 -5.222 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.376 -5.960 8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.760 -5.634 7.282 1.00 0.00 H new ATOM 234 N LEU A 19 1.299 -3.001 5.071 1.00 0.00 N ATOM 235 CA LEU A 19 0.272 -2.058 4.659 1.00 0.00 C ATOM 236 C LEU A 19 -1.106 -2.668 4.921 1.00 0.00 C ATOM 237 O LEU A 19 -2.005 -1.991 5.419 1.00 0.00 O ATOM 238 CB LEU A 19 0.489 -1.629 3.207 1.00 0.00 C ATOM 239 CG LEU A 19 -0.458 -0.551 2.678 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.397 0.707 3.547 1.00 0.00 C ATOM 241 CD2 LEU A 19 -0.173 -0.246 1.206 1.00 0.00 C ATOM 0 H LEU A 19 2.058 -3.124 4.401 1.00 0.00 H new ATOM 0 HA LEU A 19 0.335 -1.144 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.512 -1.268 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.397 -2.509 2.571 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.477 -0.933 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.080 1.458 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.686 0.458 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.619 1.102 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.860 0.524 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.853 0.107 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.308 -1.151 0.614 1.00 0.00 H new ATOM 252 N ARG A 20 -1.231 -3.941 4.576 1.00 0.00 N ATOM 253 CA ARG A 20 -2.485 -4.650 4.768 1.00 0.00 C ATOM 254 C ARG A 20 -2.948 -4.527 6.220 1.00 0.00 C ATOM 255 O ARG A 20 -4.068 -4.094 6.484 1.00 0.00 O ATOM 256 CB ARG A 20 -2.342 -6.131 4.408 1.00 0.00 C ATOM 257 CG ARG A 20 -2.645 -6.367 2.928 1.00 0.00 C ATOM 258 CD ARG A 20 -3.373 -7.698 2.723 1.00 0.00 C ATOM 259 NE ARG A 20 -4.721 -7.455 2.164 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.502 -8.417 1.629 1.00 0.00 C ATOM 261 NH1 ARG A 20 -5.076 -9.697 1.576 1.00 0.00 N ATOM 262 NH2 ARG A 20 -6.691 -8.088 1.158 1.00 0.00 N ATOM 0 H ARG A 20 -0.484 -4.500 4.164 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.225 -4.198 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.330 -6.468 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.020 -6.725 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.257 -5.551 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.716 -6.365 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.800 -8.336 2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.454 -8.228 3.672 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.083 -6.501 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.157 -9.944 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.674 -10.417 1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.007 -7.119 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.294 -8.803 0.750 1.00 0.00 H new ATOM 272 N ALA A 21 -2.061 -4.915 7.125 1.00 0.00 N ATOM 273 CA ALA A 21 -2.364 -4.853 8.544 1.00 0.00 C ATOM 274 C ALA A 21 -2.462 -3.389 8.978 1.00 0.00 C ATOM 275 O ALA A 21 -3.390 -3.010 9.690 1.00 0.00 O ATOM 276 CB ALA A 21 -1.300 -5.624 9.328 1.00 0.00 C ATOM 0 H ALA A 21 -1.132 -5.273 6.902 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.326 -5.323 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.528 -5.577 10.393 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.292 -6.665 9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.321 -5.180 9.146 1.00 0.00 H new ATOM 282 N LEU A 22 -1.491 -2.607 8.529 1.00 0.00 N ATOM 283 CA LEU A 22 -1.456 -1.193 8.862 1.00 0.00 C ATOM 284 C LEU A 22 -2.820 -0.568 8.561 1.00 0.00 C ATOM 285 O LEU A 22 -3.334 0.220 9.352 1.00 0.00 O ATOM 286 CB LEU A 22 -0.293 -0.503 8.147 1.00 0.00 C ATOM 287 CG LEU A 22 1.107 -0.833 8.671 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.185 -0.193 7.795 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.251 -0.432 10.141 1.00 0.00 C ATOM 0 H LEU A 22 -0.723 -2.926 7.938 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.271 -1.058 9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.335 -0.766 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.440 0.575 8.214 1.00 0.00 H new ATOM 0 HG LEU A 22 1.246 -1.913 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.170 -0.443 8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.096 -0.569 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.058 0.890 7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.255 -0.677 10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.083 0.640 10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.518 -0.973 10.739 1.00 0.00 H new ATOM 300 N VAL A 23 -3.367 -0.944 7.414 1.00 0.00 N ATOM 301 CA VAL A 23 -4.661 -0.431 6.998 1.00 0.00 C ATOM 302 C VAL A 23 -5.685 -0.683 8.107 1.00 0.00 C ATOM 303 O VAL A 23 -6.212 0.259 8.695 1.00 0.00 O ATOM 304 CB VAL A 23 -5.065 -1.052 5.659 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.510 -0.698 5.305 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.106 -0.625 4.546 1.00 0.00 C ATOM 0 H VAL A 23 -2.937 -1.598 6.760 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.611 0.646 6.839 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.001 -2.136 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.772 -1.152 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.177 -1.075 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.612 0.385 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.415 -1.080 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.123 0.460 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.095 -0.951 4.792 1.00 0.00 H new ATOM 316 N ARG A 24 -5.935 -1.960 8.358 1.00 0.00 N ATOM 317 CA ARG A 24 -6.886 -2.347 9.386 1.00 0.00 C ATOM 318 C ARG A 24 -6.450 -1.800 10.746 1.00 0.00 C ATOM 319 O ARG A 24 -7.289 -1.483 11.589 1.00 0.00 O ATOM 320 CB ARG A 24 -7.013 -3.870 9.473 1.00 0.00 C ATOM 321 CG ARG A 24 -7.320 -4.474 8.101 1.00 0.00 C ATOM 322 CD ARG A 24 -7.667 -5.959 8.221 1.00 0.00 C ATOM 323 NE ARG A 24 -8.492 -6.381 7.068 1.00 0.00 N ATOM 324 CZ ARG A 24 -8.587 -7.655 6.631 1.00 0.00 C ATOM 325 NH1 ARG A 24 -7.907 -8.643 7.248 1.00 0.00 N ATOM 326 NH2 ARG A 24 -9.355 -7.918 5.589 1.00 0.00 N ATOM 0 H ARG A 24 -5.496 -2.739 7.868 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.855 -1.927 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.087 -4.294 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.804 -4.133 10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.151 -3.939 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.459 -4.350 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.753 -6.552 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.206 -6.141 9.151 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.022 -5.665 6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.315 -8.430 8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.984 -9.603 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.865 -7.164 5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.438 -8.875 5.245 1.00 0.00 H new ATOM 336 N GLN A 25 -5.140 -1.705 10.918 1.00 0.00 N ATOM 337 CA GLN A 25 -4.583 -1.202 12.162 1.00 0.00 C ATOM 338 C GLN A 25 -5.363 0.028 12.633 1.00 0.00 C ATOM 339 O GLN A 25 -6.015 -0.008 13.676 1.00 0.00 O ATOM 340 CB GLN A 25 -3.095 -0.881 12.006 1.00 0.00 C ATOM 341 CG GLN A 25 -2.375 -0.955 13.354 1.00 0.00 C ATOM 342 CD GLN A 25 -0.935 -1.444 13.180 1.00 0.00 C ATOM 343 OE1 GLN A 25 -0.650 -2.353 12.419 1.00 0.00 O ATOM 344 NE2 GLN A 25 -0.048 -0.791 13.927 1.00 0.00 N ATOM 0 H GLN A 25 -4.448 -1.968 10.216 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.676 -1.980 12.920 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.639 -1.582 11.307 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.977 0.116 11.580 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.375 0.028 13.825 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.913 -1.628 14.022 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.356 -0.039 14.543 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.939 -1.043 13.883 1.00 0.00 H new ATOM 351 N PHE A 26 -5.268 1.087 11.843 1.00 0.00 N ATOM 352 CA PHE A 26 -5.957 2.325 12.166 1.00 0.00 C ATOM 353 C PHE A 26 -7.015 2.656 11.111 1.00 0.00 C ATOM 354 O PHE A 26 -8.158 2.960 11.449 1.00 0.00 O ATOM 355 CB PHE A 26 -4.901 3.433 12.177 1.00 0.00 C ATOM 356 CG PHE A 26 -3.630 3.074 12.949 1.00 0.00 C ATOM 357 CD1 PHE A 26 -2.635 2.380 12.335 1.00 0.00 C ATOM 358 CD2 PHE A 26 -3.495 3.451 14.249 1.00 0.00 C ATOM 359 CE1 PHE A 26 -1.455 2.047 13.051 1.00 0.00 C ATOM 360 CE2 PHE A 26 -2.315 3.117 14.964 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.320 2.423 14.352 1.00 0.00 C ATOM 0 H PHE A 26 -4.725 1.114 10.980 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.460 2.231 13.128 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.633 3.675 11.149 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.337 4.332 12.613 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.742 2.082 11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.284 4.004 14.737 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.665 1.495 12.563 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.208 3.415 15.997 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.423 2.170 14.897 1.00 0.00 H new ATOM 370 N GLY A 27 -6.597 2.584 9.857 1.00 0.00 N ATOM 371 CA GLY A 27 -7.495 2.873 8.752 1.00 0.00 C ATOM 372 C GLY A 27 -6.721 3.391 7.537 1.00 0.00 C ATOM 373 O GLY A 27 -5.923 4.319 7.656 1.00 0.00 O ATOM 0 H GLY A 27 -5.649 2.330 9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.045 1.972 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.231 3.614 9.062 1.00 0.00 H new ATOM 377 N GLN A 28 -6.986 2.768 6.398 1.00 0.00 N ATOM 378 CA GLN A 28 -6.324 3.156 5.163 1.00 0.00 C ATOM 379 C GLN A 28 -6.605 4.627 4.849 1.00 0.00 C ATOM 380 O GLN A 28 -5.826 5.276 4.153 1.00 0.00 O ATOM 381 CB GLN A 28 -6.756 2.255 4.004 1.00 0.00 C ATOM 382 CG GLN A 28 -8.260 1.977 4.057 1.00 0.00 C ATOM 383 CD GLN A 28 -8.873 2.013 2.656 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.592 1.185 1.806 1.00 0.00 O ATOM 385 NE2 GLN A 28 -9.726 3.015 2.465 1.00 0.00 N ATOM 0 H GLN A 28 -7.649 1.998 6.304 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.249 3.033 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.503 2.730 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.207 1.314 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.438 1.002 4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.748 2.717 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.916 3.674 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.190 3.125 1.563 1.00 0.00 H new ATOM 392 N GLN A 29 -7.720 5.109 5.378 1.00 0.00 N ATOM 393 CA GLN A 29 -8.114 6.491 5.162 1.00 0.00 C ATOM 394 C GLN A 29 -6.905 7.417 5.317 1.00 0.00 C ATOM 395 O GLN A 29 -6.716 8.335 4.519 1.00 0.00 O ATOM 396 CB GLN A 29 -9.240 6.895 6.114 1.00 0.00 C ATOM 397 CG GLN A 29 -10.608 6.717 5.453 1.00 0.00 C ATOM 398 CD GLN A 29 -10.728 7.586 4.200 1.00 0.00 C ATOM 399 OE1 GLN A 29 -9.944 8.490 3.962 1.00 0.00 O ATOM 400 NE2 GLN A 29 -11.749 7.262 3.412 1.00 0.00 N ATOM 0 H GLN A 29 -8.363 4.567 5.956 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.492 6.586 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.189 6.291 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.110 7.934 6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.755 5.670 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.395 6.981 6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.368 6.494 3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.913 7.782 2.550 1.00 0.00 H new ATOM 407 N ASP A 30 -6.119 7.144 6.347 1.00 0.00 N ATOM 408 CA ASP A 30 -4.935 7.941 6.616 1.00 0.00 C ATOM 409 C ASP A 30 -3.715 7.263 5.990 1.00 0.00 C ATOM 410 O ASP A 30 -3.018 6.495 6.653 1.00 0.00 O ATOM 411 CB ASP A 30 -4.685 8.066 8.121 1.00 0.00 C ATOM 412 CG ASP A 30 -5.225 9.347 8.761 1.00 0.00 C ATOM 413 OD1 ASP A 30 -5.303 10.401 8.113 1.00 0.00 O ATOM 414 OD2 ASP A 30 -5.576 9.232 9.997 1.00 0.00 O ATOM 0 H ASP A 30 -6.279 6.382 7.006 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.094 8.933 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.136 7.209 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.611 8.012 8.302 1.00 0.00 H new ATOM 419 N TRP A 31 -3.494 7.569 4.720 1.00 0.00 N ATOM 420 CA TRP A 31 -2.371 6.998 3.996 1.00 0.00 C ATOM 421 C TRP A 31 -1.124 7.816 4.338 1.00 0.00 C ATOM 422 O TRP A 31 -0.078 7.254 4.658 1.00 0.00 O ATOM 423 CB TRP A 31 -2.657 6.942 2.495 1.00 0.00 C ATOM 424 CG TRP A 31 -3.742 5.936 2.105 1.00 0.00 C ATOM 425 CD1 TRP A 31 -5.043 6.169 1.882 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.566 4.518 1.899 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.715 5.011 1.550 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.788 3.975 1.560 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.411 3.721 1.996 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -4.974 2.613 1.291 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.614 2.363 1.724 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.838 1.801 1.381 1.00 0.00 C ATOM 0 H TRP A 31 -4.074 8.206 4.173 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.203 5.964 4.298 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.956 7.934 2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.736 6.690 1.969 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.507 7.142 1.953 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.709 4.930 1.336 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.445 4.125 2.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.942 2.211 1.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.759 1.706 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.912 0.742 1.185 1.00 0.00 H new ATOM 442 N LYS A 32 -1.277 9.129 4.256 1.00 0.00 N ATOM 443 CA LYS A 32 -0.175 10.030 4.552 1.00 0.00 C ATOM 444 C LYS A 32 0.602 9.499 5.757 1.00 0.00 C ATOM 445 O LYS A 32 1.830 9.572 5.790 1.00 0.00 O ATOM 446 CB LYS A 32 -0.688 11.460 4.733 1.00 0.00 C ATOM 447 CG LYS A 32 -0.626 12.236 3.415 1.00 0.00 C ATOM 448 CD LYS A 32 0.430 13.340 3.478 1.00 0.00 C ATOM 449 CE LYS A 32 0.982 13.651 2.085 1.00 0.00 C ATOM 450 NZ LYS A 32 0.661 15.042 1.698 1.00 0.00 N ATOM 0 H LYS A 32 -2.146 9.591 3.989 1.00 0.00 H new ATOM 0 HA LYS A 32 0.522 10.069 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.715 11.438 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.091 11.971 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.395 11.553 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.601 12.673 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.006 14.241 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.244 13.033 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.062 13.505 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.559 12.958 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.043 15.236 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.371 15.170 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.085 15.700 2.383 1.00 0.00 H new ATOM 459 N PHE A 33 -0.143 8.976 6.719 1.00 0.00 N ATOM 460 CA PHE A 33 0.462 8.433 7.924 1.00 0.00 C ATOM 461 C PHE A 33 1.019 7.030 7.672 1.00 0.00 C ATOM 462 O PHE A 33 2.199 6.776 7.909 1.00 0.00 O ATOM 463 CB PHE A 33 -0.643 8.348 8.979 1.00 0.00 C ATOM 464 CG PHE A 33 -0.368 7.328 10.086 1.00 0.00 C ATOM 465 CD1 PHE A 33 0.837 7.316 10.717 1.00 0.00 C ATOM 466 CD2 PHE A 33 -1.329 6.432 10.439 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.091 6.369 11.744 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.074 5.485 11.467 1.00 0.00 C ATOM 469 CZ PHE A 33 0.131 5.474 12.097 1.00 0.00 C ATOM 0 H PHE A 33 -1.161 8.916 6.689 1.00 0.00 H new ATOM 0 HA PHE A 33 1.285 9.070 8.247 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.777 9.331 9.430 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.582 8.092 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.600 8.027 10.437 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.286 6.441 9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.048 6.360 12.245 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.837 4.774 11.748 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.325 4.754 12.878 1.00 0.00 H new ATOM 478 N LEU A 34 0.144 6.157 7.196 1.00 0.00 N ATOM 479 CA LEU A 34 0.535 4.787 6.911 1.00 0.00 C ATOM 480 C LEU A 34 1.885 4.786 6.191 1.00 0.00 C ATOM 481 O LEU A 34 2.804 4.072 6.588 1.00 0.00 O ATOM 482 CB LEU A 34 -0.572 4.063 6.141 1.00 0.00 C ATOM 483 CG LEU A 34 -1.844 3.751 6.933 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.994 3.377 5.996 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.584 2.669 7.983 1.00 0.00 C ATOM 0 H LEU A 34 -0.834 6.371 7.001 1.00 0.00 H new ATOM 0 HA LEU A 34 0.666 4.228 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.845 4.671 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.168 3.127 5.757 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.144 4.652 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.886 3.160 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.198 4.208 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.719 2.496 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.504 2.466 8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.247 1.757 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.816 3.012 8.676 1.00 0.00 H new ATOM 496 N ALA A 35 1.962 5.593 5.143 1.00 0.00 N ATOM 497 CA ALA A 35 3.184 5.695 4.365 1.00 0.00 C ATOM 498 C ALA A 35 4.377 5.837 5.312 1.00 0.00 C ATOM 499 O ALA A 35 5.438 5.262 5.070 1.00 0.00 O ATOM 500 CB ALA A 35 3.073 6.868 3.388 1.00 0.00 C ATOM 0 H ALA A 35 1.197 6.183 4.815 1.00 0.00 H new ATOM 0 HA ALA A 35 3.338 4.792 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.991 6.944 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.229 6.705 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.920 7.792 3.945 1.00 0.00 H new ATOM 506 N SER A 36 4.164 6.605 6.370 1.00 0.00 N ATOM 507 CA SER A 36 5.209 6.829 7.354 1.00 0.00 C ATOM 508 C SER A 36 5.981 5.531 7.604 1.00 0.00 C ATOM 509 O SER A 36 7.207 5.507 7.513 1.00 0.00 O ATOM 510 CB SER A 36 4.625 7.359 8.666 1.00 0.00 C ATOM 511 OG SER A 36 5.635 7.869 9.532 1.00 0.00 O ATOM 0 H SER A 36 3.283 7.080 6.567 1.00 0.00 H new ATOM 0 HA SER A 36 5.893 7.581 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.902 8.145 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.084 6.559 9.171 1.00 0.00 H new ATOM 0 HG SER A 36 5.222 8.199 10.357 1.00 0.00 H new ATOM 516 N HIS A 37 5.231 4.483 7.912 1.00 0.00 N ATOM 517 CA HIS A 37 5.828 3.186 8.175 1.00 0.00 C ATOM 518 C HIS A 37 6.914 2.901 7.134 1.00 0.00 C ATOM 519 O HIS A 37 7.993 2.419 7.474 1.00 0.00 O ATOM 520 CB HIS A 37 4.758 2.095 8.229 1.00 0.00 C ATOM 521 CG HIS A 37 4.522 1.534 9.610 1.00 0.00 C ATOM 522 ND1 HIS A 37 5.003 0.299 10.011 1.00 0.00 N ATOM 523 CD2 HIS A 37 3.853 2.052 10.680 1.00 0.00 C ATOM 524 CE1 HIS A 37 4.632 0.093 11.266 1.00 0.00 C ATOM 525 NE2 HIS A 37 3.919 1.180 11.679 1.00 0.00 N ATOM 0 H HIS A 37 4.214 4.507 7.985 1.00 0.00 H new ATOM 0 HA HIS A 37 6.305 3.193 9.155 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.821 2.501 7.848 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.048 1.283 7.563 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.354 3.009 10.710 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.855 -0.782 11.858 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.505 1.303 12.603 1.00 0.00 H new ATOM 532 N PHE A 38 6.589 3.212 5.888 1.00 0.00 N ATOM 533 CA PHE A 38 7.523 2.996 4.796 1.00 0.00 C ATOM 534 C PHE A 38 8.230 4.297 4.413 1.00 0.00 C ATOM 535 O PHE A 38 7.583 5.270 4.027 1.00 0.00 O ATOM 536 CB PHE A 38 6.706 2.502 3.600 1.00 0.00 C ATOM 537 CG PHE A 38 5.781 1.327 3.920 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.291 0.070 4.029 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.448 1.537 4.097 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.433 -1.021 4.326 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.591 0.446 4.394 1.00 0.00 C ATOM 542 CZ PHE A 38 4.101 -0.810 4.503 1.00 0.00 C ATOM 0 H PHE A 38 5.693 3.612 5.610 1.00 0.00 H new ATOM 0 HA PHE A 38 8.284 2.275 5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.107 3.328 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.389 2.207 2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.349 -0.097 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.043 2.534 4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.838 -2.019 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.533 0.613 4.534 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.448 -1.640 4.730 1.00 0.00 H new ATOM 551 N PRO A 39 9.585 4.272 4.536 1.00 0.00 N ATOM 552 CA PRO A 39 10.387 5.439 4.207 1.00 0.00 C ATOM 553 C PRO A 39 10.494 5.622 2.692 1.00 0.00 C ATOM 554 O PRO A 39 10.067 6.643 2.155 1.00 0.00 O ATOM 555 CB PRO A 39 11.731 5.190 4.871 1.00 0.00 C ATOM 556 CG PRO A 39 11.789 3.698 5.153 1.00 0.00 C ATOM 557 CD PRO A 39 10.385 3.139 4.989 1.00 0.00 C ATOM 0 HA PRO A 39 9.945 6.368 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.550 5.496 4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.824 5.765 5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.479 3.206 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.158 3.514 6.162 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.365 2.325 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.006 2.738 5.929 1.00 0.00 H new ATOM 562 N ASN A 40 11.065 4.616 2.045 1.00 0.00 N ATOM 563 CA ASN A 40 11.233 4.654 0.602 1.00 0.00 C ATOM 564 C ASN A 40 9.880 4.929 -0.057 1.00 0.00 C ATOM 565 O ASN A 40 9.769 5.808 -0.911 1.00 0.00 O ATOM 566 CB ASN A 40 11.752 3.316 0.074 1.00 0.00 C ATOM 567 CG ASN A 40 12.930 3.523 -0.881 1.00 0.00 C ATOM 568 OD1 ASN A 40 12.891 4.337 -1.788 1.00 0.00 O ATOM 569 ND2 ASN A 40 13.977 2.745 -0.625 1.00 0.00 N ATOM 0 H ASN A 40 11.417 3.770 2.493 1.00 0.00 H new ATOM 0 HA ASN A 40 11.952 5.439 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.062 2.687 0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.950 2.788 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.814 2.809 -1.205 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.944 2.084 0.151 1.00 0.00 H new ATOM 575 N ARG A 41 8.885 4.162 0.364 1.00 0.00 N ATOM 576 CA ARG A 41 7.544 4.312 -0.175 1.00 0.00 C ATOM 577 C ARG A 41 6.896 5.590 0.361 1.00 0.00 C ATOM 578 O ARG A 41 7.512 6.326 1.131 1.00 0.00 O ATOM 579 CB ARG A 41 6.667 3.113 0.189 1.00 0.00 C ATOM 580 CG ARG A 41 7.346 1.798 -0.200 1.00 0.00 C ATOM 581 CD ARG A 41 7.217 1.538 -1.702 1.00 0.00 C ATOM 582 NE ARG A 41 8.306 0.643 -2.156 1.00 0.00 N ATOM 583 CZ ARG A 41 9.517 1.073 -2.567 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.806 2.391 -2.583 1.00 0.00 N ATOM 585 NH2 ARG A 41 10.415 0.185 -2.951 1.00 0.00 N ATOM 0 H ARG A 41 8.981 3.434 1.072 1.00 0.00 H new ATOM 0 HA ARG A 41 7.628 4.371 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.464 3.118 1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.706 3.194 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.399 1.833 0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.897 0.974 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.249 1.086 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.258 2.481 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 41 8.129 -0.362 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.107 3.070 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.724 2.708 -2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.189 -0.809 -2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.335 0.493 -3.265 1.00 0.00 H new ATOM 595 N THR A 42 5.662 5.815 -0.067 1.00 0.00 N ATOM 596 CA THR A 42 4.925 6.992 0.361 1.00 0.00 C ATOM 597 C THR A 42 3.421 6.715 0.339 1.00 0.00 C ATOM 598 O THR A 42 2.999 5.566 0.209 1.00 0.00 O ATOM 599 CB THR A 42 5.340 8.161 -0.534 1.00 0.00 C ATOM 600 OG1 THR A 42 5.041 9.317 0.243 1.00 0.00 O ATOM 601 CG2 THR A 42 4.447 8.299 -1.768 1.00 0.00 C ATOM 0 H THR A 42 5.154 5.202 -0.705 1.00 0.00 H new ATOM 0 HA THR A 42 5.161 7.254 1.392 1.00 0.00 H new ATOM 0 HB THR A 42 6.375 8.027 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.281 10.122 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.785 9.143 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.502 7.386 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.416 8.466 -1.455 1.00 0.00 H new ATOM 609 N ASP A 43 2.652 7.786 0.471 1.00 0.00 N ATOM 610 CA ASP A 43 1.204 7.673 0.469 1.00 0.00 C ATOM 611 C ASP A 43 0.738 7.167 -0.898 1.00 0.00 C ATOM 612 O ASP A 43 -0.067 6.240 -0.980 1.00 0.00 O ATOM 613 CB ASP A 43 0.545 9.030 0.719 1.00 0.00 C ATOM 614 CG ASP A 43 1.095 10.182 -0.124 1.00 0.00 C ATOM 615 OD1 ASP A 43 2.299 10.473 -0.100 1.00 0.00 O ATOM 616 OD2 ASP A 43 0.218 10.801 -0.840 1.00 0.00 O ATOM 0 H ASP A 43 3.005 8.737 0.580 1.00 0.00 H new ATOM 0 HA ASP A 43 0.919 6.982 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.524 8.938 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.660 9.284 1.773 1.00 0.00 H new ATOM 621 N GLN A 44 1.265 7.796 -1.938 1.00 0.00 N ATOM 622 CA GLN A 44 0.913 7.422 -3.297 1.00 0.00 C ATOM 623 C GLN A 44 1.255 5.951 -3.547 1.00 0.00 C ATOM 624 O GLN A 44 0.361 5.122 -3.710 1.00 0.00 O ATOM 625 CB GLN A 44 1.611 8.328 -4.314 1.00 0.00 C ATOM 626 CG GLN A 44 0.617 8.862 -5.346 1.00 0.00 C ATOM 627 CD GLN A 44 1.302 9.114 -6.690 1.00 0.00 C ATOM 628 OE1 GLN A 44 2.061 8.300 -7.191 1.00 0.00 O ATOM 629 NE2 GLN A 44 0.995 10.283 -7.244 1.00 0.00 N ATOM 0 H GLN A 44 1.934 8.563 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.162 7.552 -3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.087 9.161 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.401 7.773 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.196 8.147 -5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.172 9.788 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.352 10.918 -6.771 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.402 10.544 -8.142 1.00 0.00 H new ATOM 636 N GLN A 45 2.550 5.673 -3.571 1.00 0.00 N ATOM 637 CA GLN A 45 3.020 4.318 -3.799 1.00 0.00 C ATOM 638 C GLN A 45 2.199 3.326 -2.973 1.00 0.00 C ATOM 639 O GLN A 45 1.845 2.252 -3.459 1.00 0.00 O ATOM 640 CB GLN A 45 4.511 4.194 -3.480 1.00 0.00 C ATOM 641 CG GLN A 45 5.350 5.035 -4.445 1.00 0.00 C ATOM 642 CD GLN A 45 5.271 4.480 -5.868 1.00 0.00 C ATOM 643 OE1 GLN A 45 4.555 3.534 -6.154 1.00 0.00 O ATOM 644 NE2 GLN A 45 6.044 5.118 -6.742 1.00 0.00 N ATOM 0 H GLN A 45 3.288 6.364 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 45 2.887 4.081 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.695 4.517 -2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.815 3.149 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.999 6.067 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.388 5.048 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.619 5.903 -6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.062 4.823 -7.718 1.00 0.00 H new ATOM 651 N CYS A 46 1.920 3.719 -1.739 1.00 0.00 N ATOM 652 CA CYS A 46 1.147 2.877 -0.842 1.00 0.00 C ATOM 653 C CYS A 46 -0.270 2.750 -1.404 1.00 0.00 C ATOM 654 O CYS A 46 -0.656 1.686 -1.888 1.00 0.00 O ATOM 655 CB CYS A 46 1.147 3.425 0.587 1.00 0.00 C ATOM 656 SG CYS A 46 2.735 3.033 1.409 1.00 0.00 S ATOM 0 H CYS A 46 2.216 4.610 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 46 1.603 1.889 -0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.993 4.504 0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.320 2.993 1.151 1.00 0.00 H new ATOM 0 HG CYS A 46 3.526 4.062 1.339 1.00 0.00 H new ATOM 661 N GLN A 47 -1.007 3.848 -1.322 1.00 0.00 N ATOM 662 CA GLN A 47 -2.372 3.872 -1.816 1.00 0.00 C ATOM 663 C GLN A 47 -2.457 3.174 -3.175 1.00 0.00 C ATOM 664 O GLN A 47 -3.315 2.318 -3.385 1.00 0.00 O ATOM 665 CB GLN A 47 -2.899 5.306 -1.903 1.00 0.00 C ATOM 666 CG GLN A 47 -4.415 5.321 -2.109 1.00 0.00 C ATOM 667 CD GLN A 47 -5.094 6.265 -1.115 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.480 7.150 -0.540 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.392 6.029 -0.944 1.00 0.00 N ATOM 0 H GLN A 47 -0.684 4.728 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.002 3.330 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.647 5.846 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.411 5.827 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.644 5.634 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.812 4.313 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.845 5.272 -1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.935 6.605 -0.300 1.00 0.00 H new ATOM 676 N TYR A 48 -1.554 3.565 -4.063 1.00 0.00 N ATOM 677 CA TYR A 48 -1.517 2.987 -5.395 1.00 0.00 C ATOM 678 C TYR A 48 -1.373 1.465 -5.330 1.00 0.00 C ATOM 679 O TYR A 48 -2.266 0.735 -5.757 1.00 0.00 O ATOM 680 CB TYR A 48 -0.279 3.575 -6.075 1.00 0.00 C ATOM 681 CG TYR A 48 -0.016 3.021 -7.477 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.612 1.801 -7.630 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.406 3.741 -8.587 1.00 0.00 C ATOM 684 CE1 TYR A 48 0.859 1.280 -8.950 1.00 0.00 C ATOM 685 CE2 TYR A 48 -0.159 3.220 -9.907 1.00 0.00 C ATOM 686 CZ TYR A 48 0.462 2.015 -10.022 1.00 0.00 C ATOM 687 OH TYR A 48 0.695 1.523 -11.268 1.00 0.00 O ATOM 0 H TYR A 48 -0.843 4.275 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.437 3.210 -5.935 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.392 4.657 -6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.593 3.381 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.918 1.238 -6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.897 4.696 -8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.349 0.327 -9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.460 3.773 -10.785 1.00 0.00 H new ATOM 0 HH TYR A 48 0.357 2.154 -11.937 1.00 0.00 H new ATOM 696 N ARG A 49 -0.244 1.032 -4.790 1.00 0.00 N ATOM 697 CA ARG A 49 0.029 -0.390 -4.662 1.00 0.00 C ATOM 698 C ARG A 49 -1.162 -1.101 -4.017 1.00 0.00 C ATOM 699 O ARG A 49 -1.355 -2.301 -4.215 1.00 0.00 O ATOM 700 CB ARG A 49 1.280 -0.638 -3.818 1.00 0.00 C ATOM 701 CG ARG A 49 1.455 -2.129 -3.521 1.00 0.00 C ATOM 702 CD ARG A 49 1.859 -2.895 -4.781 1.00 0.00 C ATOM 703 NE ARG A 49 1.795 -4.352 -4.530 1.00 0.00 N ATOM 704 CZ ARG A 49 2.536 -5.267 -5.190 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.405 -4.883 -6.150 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.398 -6.544 -4.884 1.00 0.00 N ATOM 0 H ARG A 49 0.493 1.641 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 49 0.197 -0.787 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.158 -0.263 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.208 -0.083 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.214 -2.263 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.524 -2.536 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.197 -2.630 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.869 -2.613 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 49 1.151 -4.686 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.505 -3.895 -6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.961 -5.581 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.739 -6.826 -4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.950 -7.248 -5.373 1.00 0.00 H new ATOM 716 N TRP A 50 -1.931 -0.334 -3.260 1.00 0.00 N ATOM 717 CA TRP A 50 -3.098 -0.876 -2.585 1.00 0.00 C ATOM 718 C TRP A 50 -4.257 -0.890 -3.583 1.00 0.00 C ATOM 719 O TRP A 50 -4.780 -1.952 -3.918 1.00 0.00 O ATOM 720 CB TRP A 50 -3.412 -0.086 -1.313 1.00 0.00 C ATOM 721 CG TRP A 50 -4.827 -0.310 -0.775 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.977 0.192 -1.245 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.197 -1.120 0.361 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.057 -0.232 -0.498 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.567 -1.056 0.510 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.401 -1.881 1.234 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.261 -1.730 1.522 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.108 -2.550 2.239 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.487 -2.495 2.403 1.00 0.00 C ATOM 0 H TRP A 50 -1.769 0.660 -3.099 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.912 -1.898 -2.253 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.693 -0.360 -0.541 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.275 0.976 -1.514 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.050 0.846 -2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.034 0.014 -0.656 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.327 -1.944 1.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.335 -1.663 1.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.543 -3.151 2.936 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.960 -3.040 3.207 1.00 0.00 H new ATOM 739 N LEU A 51 -4.627 0.302 -4.028 1.00 0.00 N ATOM 740 CA LEU A 51 -5.715 0.440 -4.981 1.00 0.00 C ATOM 741 C LEU A 51 -5.360 -0.309 -6.266 1.00 0.00 C ATOM 742 O LEU A 51 -6.199 -0.462 -7.152 1.00 0.00 O ATOM 743 CB LEU A 51 -6.048 1.918 -5.203 1.00 0.00 C ATOM 744 CG LEU A 51 -6.894 2.584 -4.115 1.00 0.00 C ATOM 745 CD1 LEU A 51 -7.148 4.056 -4.444 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.197 1.815 -3.885 1.00 0.00 C ATOM 0 H LEU A 51 -4.193 1.181 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.625 -0.013 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.113 2.471 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.573 2.013 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.334 2.554 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.751 4.506 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.196 4.582 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.678 4.130 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.779 2.310 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.774 1.791 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.968 0.796 -3.574 1.00 0.00 H new ATOM 757 N ARG A 52 -4.115 -0.757 -6.328 1.00 0.00 N ATOM 758 CA ARG A 52 -3.638 -1.487 -7.491 1.00 0.00 C ATOM 759 C ARG A 52 -3.569 -2.984 -7.186 1.00 0.00 C ATOM 760 O ARG A 52 -4.036 -3.804 -7.974 1.00 0.00 O ATOM 761 CB ARG A 52 -2.254 -0.996 -7.920 1.00 0.00 C ATOM 762 CG ARG A 52 -2.345 0.365 -8.614 1.00 0.00 C ATOM 763 CD ARG A 52 -3.425 0.356 -9.699 1.00 0.00 C ATOM 764 NE ARG A 52 -3.343 -0.896 -10.483 1.00 0.00 N ATOM 765 CZ ARG A 52 -4.293 -1.310 -11.349 1.00 0.00 C ATOM 766 NH1 ARG A 52 -5.406 -0.573 -11.549 1.00 0.00 N ATOM 767 NH2 ARG A 52 -4.117 -2.447 -11.996 1.00 0.00 N ATOM 0 H ARG A 52 -3.421 -0.629 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.341 -1.311 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.605 -0.921 -7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.800 -1.722 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.569 1.138 -7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.381 0.617 -9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.411 0.446 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.299 1.216 -10.357 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.518 -1.483 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.534 0.304 -11.044 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.119 -0.893 -12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.273 -2.998 -11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.825 -2.774 -12.654 1.00 0.00 H new ATOM 777 N VAL A 53 -2.981 -3.296 -6.040 1.00 0.00 N ATOM 778 CA VAL A 53 -2.844 -4.679 -5.620 1.00 0.00 C ATOM 779 C VAL A 53 -3.775 -4.944 -4.435 1.00 0.00 C ATOM 780 O VAL A 53 -4.686 -5.766 -4.527 1.00 0.00 O ATOM 781 CB VAL A 53 -1.379 -4.991 -5.310 1.00 0.00 C ATOM 782 CG1 VAL A 53 -1.203 -6.454 -4.899 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.482 -4.644 -6.500 1.00 0.00 C ATOM 0 H VAL A 53 -2.594 -2.613 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.142 -5.352 -6.424 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.076 -4.369 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.152 -6.648 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.798 -6.656 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.533 -7.102 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.554 -4.875 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.788 -5.228 -7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.573 -3.582 -6.727 1.00 0.00 H new ATOM 793 N LEU A 54 -3.514 -4.231 -3.349 1.00 0.00 N ATOM 794 CA LEU A 54 -4.318 -4.377 -2.147 1.00 0.00 C ATOM 795 C LEU A 54 -5.648 -3.646 -2.335 1.00 0.00 C ATOM 796 O LEU A 54 -5.902 -2.635 -1.682 1.00 0.00 O ATOM 797 CB LEU A 54 -3.531 -3.916 -0.918 1.00 0.00 C ATOM 798 CG LEU A 54 -2.023 -4.174 -0.951 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.363 -3.735 0.356 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.723 -5.637 -1.282 1.00 0.00 C ATOM 0 H LEU A 54 -2.757 -3.551 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.554 -5.427 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.694 -2.846 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.945 -4.411 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.591 -3.569 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.292 -3.929 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.532 -2.669 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.795 -4.293 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.644 -5.792 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.170 -6.281 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.140 -5.882 -2.259 1.00 0.00 H new ATOM 811 N SER A 55 -6.462 -4.185 -3.230 1.00 0.00 N ATOM 812 CA SER A 55 -7.760 -3.597 -3.513 1.00 0.00 C ATOM 813 C SER A 55 -8.819 -4.695 -3.631 1.00 0.00 C ATOM 814 O SER A 55 -8.580 -5.726 -4.257 1.00 0.00 O ATOM 815 CB SER A 55 -7.718 -2.759 -4.792 1.00 0.00 C ATOM 816 OG SER A 55 -7.725 -3.572 -5.963 1.00 0.00 O ATOM 0 H SER A 55 -6.248 -5.024 -3.769 1.00 0.00 H new ATOM 0 HA SER A 55 -8.023 -2.936 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.575 -2.086 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.823 -2.136 -4.788 1.00 0.00 H new ATOM 0 HG SER A 55 -7.699 -3.000 -6.758 1.00 0.00 H new