USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -175:sc= -0.678 USER MOD Single : A 11 THR OG1 : rot 138:sc= 2.31 USER MOD Single : A 15 TYR OH : rot -155:sc= 1.24 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.549 USER MOD Single : A 32 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.67) USER MOD Single : A 35 SER OG : rot 180:sc= -0.136 USER MOD Single : A 36 LYS NZ :NH3+ 134:sc= -0.819 (180deg=-1.69!) USER MOD Single : A 38 THR OG1 : rot 118:sc= 0.907 USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= 0.164 (180deg=0) USER MOD Single : A 49 ASN : amide:sc=-0.00986 K(o=-0.0099,f=-1) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0639 (180deg=-0.319) USER MOD Single : A 58 ASN : amide:sc= -0.0682 K(o=-0.068,f=-0.66) USER MOD Single : A 62 GLN : amide:sc= 1.19 K(o=1.2,f=-0.44) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0219 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -10.570 3.397 -2.462 1.00 0.00 N ATOM 77 CA GLU A 7 -9.702 3.219 -1.345 1.00 0.00 C ATOM 78 C GLU A 7 -8.302 3.657 -1.720 1.00 0.00 C ATOM 79 O GLU A 7 -7.655 3.058 -2.612 1.00 0.00 O ATOM 80 CB GLU A 7 -9.688 1.749 -0.907 1.00 0.00 C ATOM 81 CG GLU A 7 -10.978 1.209 -0.263 1.00 0.00 C ATOM 82 CD GLU A 7 -12.229 1.319 -1.117 1.00 0.00 C ATOM 83 OE1 GLU A 7 -12.205 0.960 -2.335 1.00 0.00 O ATOM 84 OE2 GLU A 7 -13.264 1.784 -0.592 1.00 0.00 O ATOM 0 HA GLU A 7 -10.064 3.825 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.460 1.136 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.871 1.612 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.825 0.161 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.149 1.744 0.671 1.00 0.00 H new ATOM 91 N TYR A 8 -7.840 4.690 -1.079 1.00 0.00 N ATOM 92 CA TYR A 8 -6.524 5.228 -1.342 1.00 0.00 C ATOM 93 C TYR A 8 -5.824 5.433 -0.021 1.00 0.00 C ATOM 94 O TYR A 8 -6.467 5.757 0.992 1.00 0.00 O ATOM 95 CB TYR A 8 -6.592 6.562 -2.113 1.00 0.00 C ATOM 96 CG TYR A 8 -7.454 6.527 -3.368 1.00 0.00 C ATOM 97 CD1 TYR A 8 -7.014 5.901 -4.527 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.713 7.117 -3.385 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.804 5.863 -5.659 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.506 7.084 -4.516 1.00 0.00 C ATOM 101 CZ TYR A 8 -9.049 6.454 -5.650 1.00 0.00 C ATOM 102 OH TYR A 8 -9.844 6.412 -6.783 1.00 0.00 O ATOM 0 H TYR A 8 -8.360 5.189 -0.357 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.975 4.524 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.977 7.333 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.580 6.857 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.039 5.437 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.078 7.611 -2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.446 5.370 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.480 7.551 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.690 6.875 -6.607 1.00 0.00 H new ATOM 112 N CYS A 9 -4.549 5.234 0.001 1.00 0.00 N ATOM 113 CA CYS A 9 -3.805 5.365 1.221 1.00 0.00 C ATOM 114 C CYS A 9 -2.625 6.290 1.026 1.00 0.00 C ATOM 115 O CYS A 9 -2.022 6.303 -0.043 1.00 0.00 O ATOM 116 CB CYS A 9 -3.330 3.986 1.675 1.00 0.00 C ATOM 117 SG CYS A 9 -4.662 2.778 1.835 1.00 0.00 S ATOM 0 H CYS A 9 -3.992 4.978 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.449 5.795 1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.595 3.612 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.822 4.084 2.635 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.189 1.674 2.333 1.00 0.00 H new ATOM 123 N ARG A 10 -2.324 7.079 2.033 1.00 0.00 N ATOM 124 CA ARG A 10 -1.168 7.941 2.004 1.00 0.00 C ATOM 125 C ARG A 10 -0.119 7.306 2.881 1.00 0.00 C ATOM 126 O ARG A 10 -0.423 6.873 3.991 1.00 0.00 O ATOM 127 CB ARG A 10 -1.477 9.354 2.524 1.00 0.00 C ATOM 128 CG ARG A 10 -0.295 10.310 2.360 1.00 0.00 C ATOM 129 CD ARG A 10 -0.524 11.665 3.016 1.00 0.00 C ATOM 130 NE ARG A 10 -0.625 11.566 4.485 1.00 0.00 N ATOM 131 CZ ARG A 10 0.405 11.741 5.347 1.00 0.00 C ATOM 132 NH1 ARG A 10 1.634 11.955 4.893 1.00 0.00 N ATOM 133 NH2 ARG A 10 0.191 11.723 6.657 1.00 0.00 N ATOM 0 H ARG A 10 -2.872 7.140 2.891 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.832 8.050 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.340 9.753 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.751 9.298 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.596 9.852 2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.099 10.456 1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.295 12.336 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.438 12.108 2.620 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.540 11.349 4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.808 11.989 3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.404 12.086 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.752 11.577 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.969 11.855 7.303 1.00 0.00 H new ATOM 147 N THR A 11 1.070 7.218 2.395 1.00 0.00 N ATOM 148 CA THR A 11 2.131 6.609 3.128 1.00 0.00 C ATOM 149 C THR A 11 2.662 7.531 4.227 1.00 0.00 C ATOM 150 O THR A 11 2.881 8.739 4.006 1.00 0.00 O ATOM 151 CB THR A 11 3.242 6.180 2.179 1.00 0.00 C ATOM 152 OG1 THR A 11 3.674 7.307 1.415 1.00 0.00 O ATOM 153 CG2 THR A 11 2.719 5.121 1.235 1.00 0.00 C ATOM 0 H THR A 11 1.338 7.567 1.475 1.00 0.00 H new ATOM 0 HA THR A 11 1.737 5.722 3.624 1.00 0.00 H new ATOM 0 HB THR A 11 4.075 5.781 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.652 7.306 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.514 4.814 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.378 4.259 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.887 5.526 0.659 1.00 0.00 H new ATOM 161 N LEU A 12 2.853 6.958 5.398 1.00 0.00 N ATOM 162 CA LEU A 12 3.312 7.685 6.563 1.00 0.00 C ATOM 163 C LEU A 12 4.813 7.550 6.695 1.00 0.00 C ATOM 164 O LEU A 12 5.456 8.318 7.405 1.00 0.00 O ATOM 165 CB LEU A 12 2.659 7.109 7.826 1.00 0.00 C ATOM 166 CG LEU A 12 1.135 7.176 7.913 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.652 6.451 9.159 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.668 8.620 7.937 1.00 0.00 C ATOM 0 H LEU A 12 2.692 5.965 5.569 1.00 0.00 H new ATOM 0 HA LEU A 12 3.041 8.735 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.957 6.064 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.071 7.633 8.689 1.00 0.00 H new ATOM 0 HG LEU A 12 0.714 6.689 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.435 6.504 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.963 5.407 9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.082 6.921 10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.420 8.650 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.095 9.126 8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.993 9.123 7.026 1.00 0.00 H new ATOM 180 N PHE A 13 5.360 6.568 6.026 1.00 0.00 N ATOM 181 CA PHE A 13 6.772 6.272 6.098 1.00 0.00 C ATOM 182 C PHE A 13 7.275 5.871 4.732 1.00 0.00 C ATOM 183 O PHE A 13 6.486 5.442 3.887 1.00 0.00 O ATOM 184 CB PHE A 13 7.034 5.087 7.056 1.00 0.00 C ATOM 185 CG PHE A 13 6.714 5.299 8.511 1.00 0.00 C ATOM 186 CD1 PHE A 13 5.457 4.998 9.010 1.00 0.00 C ATOM 187 CD2 PHE A 13 7.679 5.770 9.380 1.00 0.00 C ATOM 188 CE1 PHE A 13 5.168 5.166 10.345 1.00 0.00 C ATOM 189 CE2 PHE A 13 7.396 5.943 10.722 1.00 0.00 C ATOM 190 CZ PHE A 13 6.139 5.640 11.206 1.00 0.00 C ATOM 0 H PHE A 13 4.836 5.945 5.411 1.00 0.00 H new ATOM 0 HA PHE A 13 7.284 7.164 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.456 4.233 6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.086 4.814 6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.694 4.627 8.342 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.665 6.006 9.007 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.183 4.928 10.719 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.158 6.315 11.391 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.915 5.773 12.254 1.00 0.00 H new ATOM 200 N PRO A 14 8.573 6.068 4.471 1.00 0.00 N ATOM 201 CA PRO A 14 9.211 5.516 3.297 1.00 0.00 C ATOM 202 C PRO A 14 9.586 4.043 3.563 1.00 0.00 C ATOM 203 O PRO A 14 10.148 3.707 4.618 1.00 0.00 O ATOM 204 CB PRO A 14 10.465 6.383 3.120 1.00 0.00 C ATOM 205 CG PRO A 14 10.793 6.889 4.489 1.00 0.00 C ATOM 206 CD PRO A 14 9.506 6.894 5.280 1.00 0.00 C ATOM 0 HA PRO A 14 8.579 5.524 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.290 5.802 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.279 7.207 2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.537 6.252 4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.218 7.892 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.649 6.473 6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.126 7.907 5.414 1.00 0.00 H new ATOM 214 N TYR A 15 9.308 3.184 2.629 1.00 0.00 N ATOM 215 CA TYR A 15 9.522 1.759 2.803 1.00 0.00 C ATOM 216 C TYR A 15 10.174 1.215 1.560 1.00 0.00 C ATOM 217 O TYR A 15 9.803 1.596 0.451 1.00 0.00 O ATOM 218 CB TYR A 15 8.173 1.089 3.051 1.00 0.00 C ATOM 219 CG TYR A 15 8.184 -0.400 3.335 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.486 -0.875 4.595 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.846 -1.320 2.354 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.460 -2.222 4.880 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.806 -2.670 2.631 1.00 0.00 C ATOM 224 CZ TYR A 15 8.117 -3.116 3.903 1.00 0.00 C ATOM 225 OH TYR A 15 8.063 -4.464 4.204 1.00 0.00 O ATOM 0 H TYR A 15 8.925 3.441 1.719 1.00 0.00 H new ATOM 0 HA TYR A 15 10.173 1.562 3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.696 1.591 3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.544 1.262 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.748 -0.175 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.611 -0.974 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.709 -2.571 5.871 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.534 -3.375 1.860 1.00 0.00 H new ATOM 0 HH TYR A 15 8.209 -4.987 3.388 1.00 0.00 H new ATOM 235 N THR A 16 11.136 0.353 1.725 1.00 0.00 N ATOM 236 CA THR A 16 11.849 -0.164 0.600 1.00 0.00 C ATOM 237 C THR A 16 11.470 -1.614 0.332 1.00 0.00 C ATOM 238 O THR A 16 11.576 -2.481 1.221 1.00 0.00 O ATOM 239 CB THR A 16 13.365 -0.031 0.816 1.00 0.00 C ATOM 240 OG1 THR A 16 13.650 1.323 1.207 1.00 0.00 O ATOM 241 CG2 THR A 16 14.130 -0.346 -0.467 1.00 0.00 C ATOM 0 H THR A 16 11.442 -0.005 2.630 1.00 0.00 H new ATOM 0 HA THR A 16 11.571 0.423 -0.276 1.00 0.00 H new ATOM 0 HB THR A 16 13.677 -0.736 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.614 1.426 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.200 -0.244 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.910 -1.366 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.827 0.348 -1.251 1.00 0.00 H new ATOM 249 N GLY A 17 10.997 -1.853 -0.864 1.00 0.00 N ATOM 250 CA GLY A 17 10.667 -3.160 -1.289 1.00 0.00 C ATOM 251 C GLY A 17 11.884 -3.889 -1.752 1.00 0.00 C ATOM 252 O GLY A 17 12.442 -3.598 -2.820 1.00 0.00 O ATOM 0 H GLY A 17 10.834 -1.130 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.200 -3.707 -0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.937 -3.111 -2.097 1.00 0.00 H new ATOM 256 N THR A 18 12.303 -4.807 -0.946 1.00 0.00 N ATOM 257 CA THR A 18 13.442 -5.608 -1.177 1.00 0.00 C ATOM 258 C THR A 18 13.027 -6.782 -2.017 1.00 0.00 C ATOM 259 O THR A 18 13.779 -7.286 -2.845 1.00 0.00 O ATOM 260 CB THR A 18 13.968 -6.105 0.174 1.00 0.00 C ATOM 261 OG1 THR A 18 13.108 -5.606 1.238 1.00 0.00 O ATOM 262 CG2 THR A 18 15.346 -5.583 0.395 1.00 0.00 C ATOM 0 H THR A 18 11.832 -5.023 -0.068 1.00 0.00 H new ATOM 0 HA THR A 18 14.220 -5.042 -1.688 1.00 0.00 H new ATOM 0 HB THR A 18 13.978 -7.195 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.251 -6.081 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.719 -5.937 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.001 -5.937 -0.401 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.327 -4.493 0.392 1.00 0.00 H new ATOM 270 N ASN A 19 11.818 -7.201 -1.787 1.00 0.00 N ATOM 271 CA ASN A 19 11.228 -8.277 -2.525 1.00 0.00 C ATOM 272 C ASN A 19 10.545 -7.713 -3.752 1.00 0.00 C ATOM 273 O ASN A 19 10.122 -6.555 -3.749 1.00 0.00 O ATOM 274 CB ASN A 19 10.200 -9.024 -1.679 1.00 0.00 C ATOM 275 CG ASN A 19 10.770 -9.749 -0.478 1.00 0.00 C ATOM 276 OD1 ASN A 19 11.934 -10.190 -0.476 1.00 0.00 O ATOM 277 ND2 ASN A 19 9.956 -9.903 0.540 1.00 0.00 N ATOM 0 H ASN A 19 11.208 -6.801 -1.074 1.00 0.00 H new ATOM 0 HA ASN A 19 12.014 -8.977 -2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.449 -8.313 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.686 -9.748 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.270 -10.400 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.009 -9.526 0.498 1.00 0.00 H new ATOM 284 N GLU A 20 10.416 -8.518 -4.786 1.00 0.00 N ATOM 285 CA GLU A 20 9.772 -8.086 -6.032 1.00 0.00 C ATOM 286 C GLU A 20 8.313 -7.707 -5.809 1.00 0.00 C ATOM 287 O GLU A 20 7.813 -6.744 -6.398 1.00 0.00 O ATOM 288 CB GLU A 20 9.829 -9.177 -7.071 1.00 0.00 C ATOM 289 CG GLU A 20 11.214 -9.567 -7.510 1.00 0.00 C ATOM 290 CD GLU A 20 11.172 -10.662 -8.528 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.002 -11.840 -8.144 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.299 -10.372 -9.738 1.00 0.00 O ATOM 0 H GLU A 20 10.747 -9.483 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 20 10.319 -7.210 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.327 -10.060 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.264 -8.854 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.724 -8.699 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.794 -9.892 -6.646 1.00 0.00 H new ATOM 299 N ASP A 21 7.651 -8.453 -4.941 1.00 0.00 N ATOM 300 CA ASP A 21 6.231 -8.242 -4.633 1.00 0.00 C ATOM 301 C ASP A 21 6.073 -7.284 -3.459 1.00 0.00 C ATOM 302 O ASP A 21 4.986 -7.105 -2.926 1.00 0.00 O ATOM 303 CB ASP A 21 5.522 -9.579 -4.324 1.00 0.00 C ATOM 304 CG ASP A 21 5.991 -10.236 -3.035 1.00 0.00 C ATOM 305 OD1 ASP A 21 7.136 -10.730 -2.988 1.00 0.00 O ATOM 306 OD2 ASP A 21 5.224 -10.276 -2.046 1.00 0.00 O ATOM 0 H ASP A 21 8.075 -9.224 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 21 5.763 -7.802 -5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.448 -9.405 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.686 -10.267 -5.153 1.00 0.00 H new ATOM 311 N GLU A 22 7.150 -6.662 -3.080 1.00 0.00 N ATOM 312 CA GLU A 22 7.150 -5.714 -2.002 1.00 0.00 C ATOM 313 C GLU A 22 7.380 -4.331 -2.613 1.00 0.00 C ATOM 314 O GLU A 22 8.334 -4.133 -3.370 1.00 0.00 O ATOM 315 CB GLU A 22 8.250 -6.100 -1.016 1.00 0.00 C ATOM 316 CG GLU A 22 8.322 -5.292 0.251 1.00 0.00 C ATOM 317 CD GLU A 22 9.462 -5.747 1.139 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.576 -5.990 0.637 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.281 -5.824 2.363 1.00 0.00 O ATOM 0 H GLU A 22 8.063 -6.799 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 22 6.207 -5.704 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.116 -7.148 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.210 -6.022 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.451 -4.238 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.380 -5.380 0.793 1.00 0.00 H new ATOM 326 N LEU A 23 6.498 -3.409 -2.328 1.00 0.00 N ATOM 327 CA LEU A 23 6.548 -2.081 -2.933 1.00 0.00 C ATOM 328 C LEU A 23 7.506 -1.131 -2.239 1.00 0.00 C ATOM 329 O LEU A 23 7.601 -1.100 -1.013 1.00 0.00 O ATOM 330 CB LEU A 23 5.153 -1.451 -3.001 1.00 0.00 C ATOM 331 CG LEU A 23 4.418 -1.524 -4.344 1.00 0.00 C ATOM 332 CD1 LEU A 23 3.022 -0.961 -4.193 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.176 -0.728 -5.400 1.00 0.00 C ATOM 0 H LEU A 23 5.725 -3.544 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 23 6.930 -2.237 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.528 -1.930 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.242 -0.401 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 23 4.358 -2.566 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.503 -1.015 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.474 -1.541 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.082 0.078 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.645 -0.787 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.248 0.314 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.178 -1.141 -5.518 1.00 0.00 H new ATOM 345 N THR A 24 8.212 -0.365 -3.037 1.00 0.00 N ATOM 346 CA THR A 24 9.081 0.659 -2.544 1.00 0.00 C ATOM 347 C THR A 24 8.344 1.981 -2.657 1.00 0.00 C ATOM 348 O THR A 24 7.946 2.387 -3.750 1.00 0.00 O ATOM 349 CB THR A 24 10.356 0.721 -3.415 1.00 0.00 C ATOM 350 OG1 THR A 24 10.969 -0.578 -3.452 1.00 0.00 O ATOM 351 CG2 THR A 24 11.358 1.741 -2.879 1.00 0.00 C ATOM 0 H THR A 24 8.194 -0.441 -4.054 1.00 0.00 H new ATOM 0 HA THR A 24 9.363 0.454 -1.511 1.00 0.00 H new ATOM 0 HB THR A 24 10.065 1.033 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.777 -0.543 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.241 1.755 -3.519 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.901 2.730 -2.870 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.649 1.467 -1.865 1.00 0.00 H new ATOM 359 N PHE A 25 8.140 2.625 -1.553 1.00 0.00 N ATOM 360 CA PHE A 25 7.470 3.885 -1.545 1.00 0.00 C ATOM 361 C PHE A 25 8.158 4.903 -0.677 1.00 0.00 C ATOM 362 O PHE A 25 8.940 4.560 0.210 1.00 0.00 O ATOM 363 CB PHE A 25 5.968 3.758 -1.221 1.00 0.00 C ATOM 364 CG PHE A 25 5.616 2.957 0.002 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.660 3.519 1.262 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.207 1.643 -0.122 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.303 2.788 2.374 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.846 0.909 0.981 1.00 0.00 C ATOM 369 CZ PHE A 25 4.893 1.479 2.232 1.00 0.00 C ATOM 0 H PHE A 25 8.432 2.293 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 25 7.532 4.262 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.557 4.761 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.470 3.308 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.978 4.545 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.171 1.187 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.344 3.239 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.525 -0.116 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.610 0.903 3.101 1.00 0.00 H new ATOM 379 N ARG A 26 7.861 6.135 -0.936 1.00 0.00 N ATOM 380 CA ARG A 26 8.355 7.246 -0.174 1.00 0.00 C ATOM 381 C ARG A 26 7.266 7.699 0.768 1.00 0.00 C ATOM 382 O ARG A 26 6.184 7.120 0.773 1.00 0.00 O ATOM 383 CB ARG A 26 8.723 8.385 -1.112 1.00 0.00 C ATOM 384 CG ARG A 26 10.000 8.173 -1.891 1.00 0.00 C ATOM 385 CD ARG A 26 10.209 9.295 -2.886 1.00 0.00 C ATOM 386 NE ARG A 26 10.144 10.625 -2.259 1.00 0.00 N ATOM 387 CZ ARG A 26 9.540 11.697 -2.798 1.00 0.00 C ATOM 388 NH1 ARG A 26 9.025 11.634 -4.016 1.00 0.00 N ATOM 389 NH2 ARG A 26 9.480 12.836 -2.130 1.00 0.00 N ATOM 0 H ARG A 26 7.250 6.409 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 26 9.240 6.951 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.905 8.537 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.816 9.302 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.847 8.125 -1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.959 7.218 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.178 9.172 -3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.452 9.228 -3.668 1.00 0.00 H new ATOM 0 HE ARG A 26 10.590 10.741 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.085 10.768 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.568 12.452 -4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.894 12.904 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.020 13.647 -2.544 1.00 0.00 H new ATOM 403 N GLU A 27 7.533 8.710 1.542 1.00 0.00 N ATOM 404 CA GLU A 27 6.532 9.260 2.429 1.00 0.00 C ATOM 405 C GLU A 27 5.707 10.269 1.648 1.00 0.00 C ATOM 406 O GLU A 27 6.273 11.087 0.915 1.00 0.00 O ATOM 407 CB GLU A 27 7.185 9.961 3.620 1.00 0.00 C ATOM 408 CG GLU A 27 6.177 10.521 4.610 1.00 0.00 C ATOM 409 CD GLU A 27 6.799 11.397 5.651 1.00 0.00 C ATOM 410 OE1 GLU A 27 7.315 10.881 6.649 1.00 0.00 O ATOM 411 OE2 GLU A 27 6.758 12.639 5.498 1.00 0.00 O ATOM 0 H GLU A 27 8.439 9.177 1.582 1.00 0.00 H new ATOM 0 HA GLU A 27 5.905 8.453 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.838 9.256 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.816 10.772 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.423 11.091 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.661 9.695 5.100 1.00 0.00 H new ATOM 418 N GLY A 28 4.401 10.202 1.768 1.00 0.00 N ATOM 419 CA GLY A 28 3.562 11.151 1.074 1.00 0.00 C ATOM 420 C GLY A 28 3.086 10.622 -0.253 1.00 0.00 C ATOM 421 O GLY A 28 2.624 11.374 -1.108 1.00 0.00 O ATOM 0 H GLY A 28 3.903 9.512 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.701 11.396 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.116 12.077 0.917 1.00 0.00 H new ATOM 425 N GLU A 29 3.181 9.332 -0.419 1.00 0.00 N ATOM 426 CA GLU A 29 2.745 8.691 -1.625 1.00 0.00 C ATOM 427 C GLU A 29 1.321 8.252 -1.460 1.00 0.00 C ATOM 428 O GLU A 29 0.911 7.848 -0.369 1.00 0.00 O ATOM 429 CB GLU A 29 3.605 7.461 -1.946 1.00 0.00 C ATOM 430 CG GLU A 29 5.026 7.766 -2.368 1.00 0.00 C ATOM 431 CD GLU A 29 5.085 8.582 -3.630 1.00 0.00 C ATOM 432 OE1 GLU A 29 4.624 8.106 -4.684 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.582 9.719 -3.591 1.00 0.00 O ATOM 0 H GLU A 29 3.564 8.696 0.280 1.00 0.00 H new ATOM 0 HA GLU A 29 2.839 9.405 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.633 6.817 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.120 6.895 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.533 8.303 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.567 6.831 -2.517 1.00 0.00 H new ATOM 440 N ILE A 30 0.574 8.367 -2.506 1.00 0.00 N ATOM 441 CA ILE A 30 -0.771 7.899 -2.529 1.00 0.00 C ATOM 442 C ILE A 30 -0.752 6.565 -3.234 1.00 0.00 C ATOM 443 O ILE A 30 -0.235 6.452 -4.351 1.00 0.00 O ATOM 444 CB ILE A 30 -1.719 8.879 -3.275 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.662 10.290 -2.641 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.158 8.343 -3.281 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.065 10.349 -1.179 1.00 0.00 C ATOM 0 H ILE A 30 0.884 8.794 -3.379 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.151 7.817 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.380 8.958 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.647 10.676 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.312 10.955 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.805 9.044 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.184 7.376 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.508 8.228 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.994 11.377 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.091 9.998 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.400 9.715 -0.592 1.00 0.00 H new ATOM 459 N ILE A 31 -1.237 5.571 -2.576 1.00 0.00 N ATOM 460 CA ILE A 31 -1.259 4.250 -3.114 1.00 0.00 C ATOM 461 C ILE A 31 -2.697 3.834 -3.322 1.00 0.00 C ATOM 462 O ILE A 31 -3.576 4.182 -2.515 1.00 0.00 O ATOM 463 CB ILE A 31 -0.516 3.232 -2.174 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.968 3.618 -2.030 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.645 1.792 -2.680 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.777 2.663 -1.172 1.00 0.00 C ATOM 0 H ILE A 31 -1.634 5.649 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.731 4.246 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.993 3.281 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.417 3.667 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.032 4.618 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.118 1.120 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.698 1.514 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.211 1.716 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.810 3.006 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.356 2.631 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.747 1.665 -1.610 1.00 0.00 H new ATOM 478 N HIS A 32 -2.939 3.125 -4.391 1.00 0.00 N ATOM 479 CA HIS A 32 -4.247 2.614 -4.681 1.00 0.00 C ATOM 480 C HIS A 32 -4.347 1.270 -4.028 1.00 0.00 C ATOM 481 O HIS A 32 -3.587 0.369 -4.358 1.00 0.00 O ATOM 482 CB HIS A 32 -4.462 2.463 -6.196 1.00 0.00 C ATOM 483 CG HIS A 32 -4.556 3.749 -6.965 1.00 0.00 C ATOM 484 ND1 HIS A 32 -5.679 4.137 -7.659 1.00 0.00 N ATOM 485 CD2 HIS A 32 -3.632 4.712 -7.186 1.00 0.00 C ATOM 486 CE1 HIS A 32 -5.416 5.290 -8.266 1.00 0.00 C ATOM 487 NE2 HIS A 32 -4.179 5.690 -8.012 1.00 0.00 N ATOM 0 H HIS A 32 -2.232 2.886 -5.086 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.006 3.302 -4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.641 1.874 -6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.376 1.893 -6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.629 4.721 -6.785 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.118 5.829 -8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.723 6.537 -8.351 1.00 0.00 H new ATOM 495 N LEU A 33 -5.226 1.154 -3.066 1.00 0.00 N ATOM 496 CA LEU A 33 -5.405 -0.082 -2.337 1.00 0.00 C ATOM 497 C LEU A 33 -5.957 -1.110 -3.324 1.00 0.00 C ATOM 498 O LEU A 33 -6.820 -0.784 -4.132 1.00 0.00 O ATOM 499 CB LEU A 33 -6.388 0.165 -1.164 1.00 0.00 C ATOM 500 CG LEU A 33 -6.332 -0.774 0.071 1.00 0.00 C ATOM 501 CD1 LEU A 33 -7.321 -0.309 1.119 1.00 0.00 C ATOM 502 CD2 LEU A 33 -6.615 -2.221 -0.280 1.00 0.00 C ATOM 0 H LEU A 33 -5.839 1.911 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.469 -0.449 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.230 1.184 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.400 0.120 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.315 -0.724 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.276 -0.973 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.073 0.706 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.328 -0.325 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.562 -2.831 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.611 -2.302 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.875 -2.572 -0.999 1.00 0.00 H new ATOM 514 N ILE A 34 -5.402 -2.293 -3.319 1.00 0.00 N ATOM 515 CA ILE A 34 -5.851 -3.346 -4.198 1.00 0.00 C ATOM 516 C ILE A 34 -6.492 -4.452 -3.376 1.00 0.00 C ATOM 517 O ILE A 34 -7.586 -4.924 -3.679 1.00 0.00 O ATOM 518 CB ILE A 34 -4.674 -3.942 -5.049 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.019 -2.861 -5.930 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.140 -5.121 -5.911 1.00 0.00 C ATOM 521 CD1 ILE A 34 -4.946 -2.216 -6.942 1.00 0.00 C ATOM 0 H ILE A 34 -4.628 -2.556 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.577 -2.917 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.928 -4.313 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.612 -2.083 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.178 -3.306 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.298 -5.507 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.532 -5.909 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.922 -4.786 -6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.396 -1.469 -7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.334 -2.978 -7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.775 -1.736 -6.422 1.00 0.00 H new ATOM 533 N SER A 35 -5.815 -4.892 -2.340 1.00 0.00 N ATOM 534 CA SER A 35 -6.330 -5.968 -1.519 1.00 0.00 C ATOM 535 C SER A 35 -5.862 -5.846 -0.080 1.00 0.00 C ATOM 536 O SER A 35 -4.673 -5.847 0.182 1.00 0.00 O ATOM 537 CB SER A 35 -5.890 -7.322 -2.095 1.00 0.00 C ATOM 538 OG SER A 35 -6.296 -7.446 -3.453 1.00 0.00 O ATOM 0 H SER A 35 -4.910 -4.525 -2.045 1.00 0.00 H new ATOM 0 HA SER A 35 -7.418 -5.901 -1.526 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.807 -7.418 -2.024 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.321 -8.131 -1.506 1.00 0.00 H new ATOM 0 HG SER A 35 -6.006 -8.314 -3.803 1.00 0.00 H new ATOM 544 N LYS A 36 -6.803 -5.695 0.838 1.00 0.00 N ATOM 545 CA LYS A 36 -6.485 -5.714 2.265 1.00 0.00 C ATOM 546 C LYS A 36 -6.174 -7.129 2.703 1.00 0.00 C ATOM 547 O LYS A 36 -5.494 -7.357 3.697 1.00 0.00 O ATOM 548 CB LYS A 36 -7.666 -5.239 3.093 1.00 0.00 C ATOM 549 CG LYS A 36 -8.117 -3.834 2.838 1.00 0.00 C ATOM 550 CD LYS A 36 -9.311 -3.429 3.721 1.00 0.00 C ATOM 551 CE LYS A 36 -10.553 -4.340 3.554 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.485 -5.629 4.320 1.00 0.00 N ATOM 0 H LYS A 36 -7.791 -5.558 0.626 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.630 -5.055 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.506 -5.909 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.407 -5.332 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.287 -3.151 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.393 -3.729 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.999 -3.444 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.592 -2.402 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.438 -3.789 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.682 -4.567 2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.387 -5.788 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.306 -6.415 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.714 -5.579 5.017 1.00 0.00 H new ATOM 566 N GLU A 37 -6.728 -8.078 1.985 1.00 0.00 N ATOM 567 CA GLU A 37 -6.542 -9.455 2.314 1.00 0.00 C ATOM 568 C GLU A 37 -5.525 -10.023 1.380 1.00 0.00 C ATOM 569 O GLU A 37 -5.753 -10.109 0.164 1.00 0.00 O ATOM 570 CB GLU A 37 -7.820 -10.254 2.150 1.00 0.00 C ATOM 571 CG GLU A 37 -9.067 -9.585 2.649 1.00 0.00 C ATOM 572 CD GLU A 37 -9.032 -9.140 4.086 1.00 0.00 C ATOM 573 OE1 GLU A 37 -9.147 -9.992 4.993 1.00 0.00 O ATOM 574 OE2 GLU A 37 -8.920 -7.923 4.337 1.00 0.00 O ATOM 0 H GLU A 37 -7.313 -7.911 1.166 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.226 -9.516 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.950 -10.485 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.704 -11.204 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.268 -8.716 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.904 -10.272 2.520 1.00 0.00 H new ATOM 581 N THR A 38 -4.420 -10.345 1.908 1.00 0.00 N ATOM 582 CA THR A 38 -3.379 -10.983 1.144 1.00 0.00 C ATOM 583 C THR A 38 -3.256 -12.407 1.613 1.00 0.00 C ATOM 584 O THR A 38 -2.505 -13.213 1.054 1.00 0.00 O ATOM 585 CB THR A 38 -2.044 -10.268 1.372 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.758 -10.254 2.784 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.109 -8.842 0.850 1.00 0.00 C ATOM 0 H THR A 38 -4.187 -10.183 2.888 1.00 0.00 H new ATOM 0 HA THR A 38 -3.626 -10.944 0.083 1.00 0.00 H new ATOM 0 HB THR A 38 -1.256 -10.797 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.933 -10.754 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.152 -8.348 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.326 -8.855 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.896 -8.298 1.373 1.00 0.00 H new ATOM 595 N GLY A 39 -4.059 -12.726 2.609 1.00 0.00 N ATOM 596 CA GLY A 39 -3.933 -13.978 3.305 1.00 0.00 C ATOM 597 C GLY A 39 -3.401 -13.723 4.695 1.00 0.00 C ATOM 598 O GLY A 39 -3.372 -14.615 5.549 1.00 0.00 O ATOM 0 H GLY A 39 -4.809 -12.126 2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.901 -14.477 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.262 -14.643 2.762 1.00 0.00 H new ATOM 602 N GLU A 40 -2.956 -12.492 4.907 1.00 0.00 N ATOM 603 CA GLU A 40 -2.442 -12.043 6.174 1.00 0.00 C ATOM 604 C GLU A 40 -3.209 -10.799 6.576 1.00 0.00 C ATOM 605 O GLU A 40 -3.566 -9.990 5.717 1.00 0.00 O ATOM 606 CB GLU A 40 -0.943 -11.666 6.090 1.00 0.00 C ATOM 607 CG GLU A 40 0.034 -12.749 5.602 1.00 0.00 C ATOM 608 CD GLU A 40 -0.074 -13.047 4.122 1.00 0.00 C ATOM 609 OE1 GLU A 40 0.077 -12.120 3.302 1.00 0.00 O ATOM 610 OE2 GLU A 40 -0.329 -14.206 3.754 1.00 0.00 O ATOM 0 H GLU A 40 -2.946 -11.772 4.184 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.555 -12.853 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.849 -10.805 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.621 -11.344 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.053 -12.434 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.146 -13.667 6.162 1.00 0.00 H new ATOM 617 N ALA A 41 -3.470 -10.637 7.851 1.00 0.00 N ATOM 618 CA ALA A 41 -4.134 -9.443 8.319 1.00 0.00 C ATOM 619 C ALA A 41 -3.099 -8.424 8.760 1.00 0.00 C ATOM 620 O ALA A 41 -2.690 -8.389 9.930 1.00 0.00 O ATOM 621 CB ALA A 41 -5.112 -9.751 9.441 1.00 0.00 C ATOM 0 H ALA A 41 -3.235 -11.312 8.579 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.715 -9.025 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.593 -8.829 9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.870 -10.448 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.576 -10.197 10.279 1.00 0.00 H new ATOM 627 N GLY A 42 -2.634 -7.643 7.820 1.00 0.00 N ATOM 628 CA GLY A 42 -1.614 -6.666 8.109 1.00 0.00 C ATOM 629 C GLY A 42 -0.908 -6.245 6.868 1.00 0.00 C ATOM 630 O GLY A 42 -0.428 -5.115 6.762 1.00 0.00 O ATOM 0 H GLY A 42 -2.944 -7.663 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.064 -5.796 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.896 -7.083 8.816 1.00 0.00 H new ATOM 634 N TRP A 43 -0.830 -7.149 5.929 1.00 0.00 N ATOM 635 CA TRP A 43 -0.257 -6.847 4.661 1.00 0.00 C ATOM 636 C TRP A 43 -1.331 -6.345 3.750 1.00 0.00 C ATOM 637 O TRP A 43 -2.352 -6.991 3.564 1.00 0.00 O ATOM 638 CB TRP A 43 0.432 -8.063 4.039 1.00 0.00 C ATOM 639 CG TRP A 43 1.695 -8.481 4.723 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.823 -9.350 5.765 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.021 -8.055 4.391 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.144 -9.490 6.094 1.00 0.00 N ATOM 643 CE2 TRP A 43 3.900 -8.703 5.268 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.546 -7.188 3.433 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.281 -8.510 5.216 1.00 0.00 C ATOM 646 CZ3 TRP A 43 4.913 -6.997 3.382 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.766 -7.654 4.266 1.00 0.00 C ATOM 0 H TRP A 43 -1.162 -8.108 6.028 1.00 0.00 H new ATOM 0 HA TRP A 43 0.507 -6.082 4.804 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.264 -8.902 4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.655 -7.843 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.004 -9.853 6.258 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.508 -10.086 6.837 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.894 -6.674 2.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.943 -9.018 5.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.328 -6.327 2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.831 -7.484 4.200 1.00 0.00 H new ATOM 658 N TRP A 44 -1.128 -5.188 3.245 1.00 0.00 N ATOM 659 CA TRP A 44 -2.021 -4.607 2.310 1.00 0.00 C ATOM 660 C TRP A 44 -1.373 -4.595 0.975 1.00 0.00 C ATOM 661 O TRP A 44 -0.191 -4.273 0.854 1.00 0.00 O ATOM 662 CB TRP A 44 -2.423 -3.193 2.720 1.00 0.00 C ATOM 663 CG TRP A 44 -3.581 -3.130 3.670 1.00 0.00 C ATOM 664 CD1 TRP A 44 -4.104 -4.144 4.423 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.374 -1.980 3.947 1.00 0.00 C ATOM 666 NE1 TRP A 44 -5.180 -3.689 5.138 1.00 0.00 N ATOM 667 CE2 TRP A 44 -5.365 -2.364 4.866 1.00 0.00 C ATOM 668 CE3 TRP A 44 -4.342 -0.659 3.503 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -6.315 -1.480 5.342 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -5.286 0.218 3.982 1.00 0.00 C ATOM 671 CH2 TRP A 44 -6.263 -0.198 4.893 1.00 0.00 C ATOM 0 H TRP A 44 -0.323 -4.605 3.472 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.933 -5.203 2.277 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.565 -2.703 3.179 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.672 -2.625 1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.725 -5.155 4.450 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.751 -4.249 5.771 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.592 -0.332 2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.071 -1.796 6.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.273 1.245 3.649 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.992 0.515 5.247 1.00 0.00 H new ATOM 682 N LYS A 45 -2.102 -4.992 -0.008 1.00 0.00 N ATOM 683 CA LYS A 45 -1.604 -4.978 -1.333 1.00 0.00 C ATOM 684 C LYS A 45 -2.131 -3.740 -2.000 1.00 0.00 C ATOM 685 O LYS A 45 -3.344 -3.473 -1.960 1.00 0.00 O ATOM 686 CB LYS A 45 -2.037 -6.238 -2.097 1.00 0.00 C ATOM 687 CG LYS A 45 -1.373 -6.380 -3.450 1.00 0.00 C ATOM 688 CD LYS A 45 -1.692 -7.700 -4.119 1.00 0.00 C ATOM 689 CE LYS A 45 -0.874 -7.838 -5.385 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.121 -9.094 -6.102 1.00 0.00 N ATOM 0 H LYS A 45 -3.058 -5.335 0.086 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.514 -4.971 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.807 -7.116 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.118 -6.218 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.694 -5.563 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.293 -6.288 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.473 -8.525 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.755 -7.753 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.097 -7.001 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.185 -7.773 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.231 -9.626 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.815 -9.663 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.492 -8.885 -7.051 1.00 0.00 H new ATOM 704 N GLY A 46 -1.255 -3.005 -2.598 1.00 0.00 N ATOM 705 CA GLY A 46 -1.615 -1.786 -3.238 1.00 0.00 C ATOM 706 C GLY A 46 -0.832 -1.602 -4.493 1.00 0.00 C ATOM 707 O GLY A 46 0.161 -2.300 -4.704 1.00 0.00 O ATOM 0 H GLY A 46 -0.263 -3.235 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.681 -1.789 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.435 -0.948 -2.564 1.00 0.00 H new ATOM 711 N GLU A 47 -1.267 -0.695 -5.318 1.00 0.00 N ATOM 712 CA GLU A 47 -0.621 -0.428 -6.571 1.00 0.00 C ATOM 713 C GLU A 47 0.045 0.933 -6.541 1.00 0.00 C ATOM 714 O GLU A 47 -0.564 1.933 -6.105 1.00 0.00 O ATOM 715 CB GLU A 47 -1.632 -0.479 -7.712 1.00 0.00 C ATOM 716 CG GLU A 47 -1.023 -0.284 -9.089 1.00 0.00 C ATOM 717 CD GLU A 47 -2.063 -0.242 -10.160 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.756 0.789 -10.282 1.00 0.00 O ATOM 719 OE2 GLU A 47 -2.231 -1.229 -10.897 1.00 0.00 O ATOM 0 H GLU A 47 -2.087 -0.115 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 47 0.138 -1.193 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.145 -1.441 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.387 0.290 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.450 0.643 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.324 -1.095 -9.294 1.00 0.00 H new ATOM 726 N LEU A 48 1.281 0.964 -6.969 1.00 0.00 N ATOM 727 CA LEU A 48 2.030 2.181 -7.087 1.00 0.00 C ATOM 728 C LEU A 48 3.004 2.055 -8.247 1.00 0.00 C ATOM 729 O LEU A 48 3.815 1.121 -8.286 1.00 0.00 O ATOM 730 CB LEU A 48 2.788 2.499 -5.788 1.00 0.00 C ATOM 731 CG LEU A 48 3.620 3.791 -5.789 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.735 5.012 -5.983 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.425 3.912 -4.511 1.00 0.00 C ATOM 0 H LEU A 48 1.799 0.131 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 48 1.337 3.002 -7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.065 2.557 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.452 1.664 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 48 4.314 3.742 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.350 5.912 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.211 4.934 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.008 5.067 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.006 4.834 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.749 3.930 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.099 3.060 -4.424 1.00 0.00 H new ATOM 745 N ASN A 49 2.851 2.939 -9.231 1.00 0.00 N ATOM 746 CA ASN A 49 3.759 3.049 -10.389 1.00 0.00 C ATOM 747 C ASN A 49 3.779 1.779 -11.227 1.00 0.00 C ATOM 748 O ASN A 49 4.807 1.406 -11.812 1.00 0.00 O ATOM 749 CB ASN A 49 5.188 3.468 -9.964 1.00 0.00 C ATOM 750 CG ASN A 49 5.251 4.892 -9.427 1.00 0.00 C ATOM 751 OD1 ASN A 49 4.455 5.759 -9.818 1.00 0.00 O ATOM 752 ND2 ASN A 49 6.193 5.156 -8.555 1.00 0.00 N ATOM 0 H ASN A 49 2.085 3.612 -9.254 1.00 0.00 H new ATOM 0 HA ASN A 49 3.361 3.843 -11.021 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.551 2.780 -9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.858 3.377 -10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.288 6.098 -8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.831 4.419 -8.255 1.00 0.00 H new ATOM 759 N GLY A 50 2.639 1.129 -11.296 1.00 0.00 N ATOM 760 CA GLY A 50 2.502 -0.047 -12.111 1.00 0.00 C ATOM 761 C GLY A 50 2.690 -1.336 -11.350 1.00 0.00 C ATOM 762 O GLY A 50 2.417 -2.410 -11.875 1.00 0.00 O ATOM 0 H GLY A 50 1.793 1.400 -10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.513 -0.047 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.230 -0.004 -12.921 1.00 0.00 H new ATOM 766 N LYS A 51 3.163 -1.255 -10.132 1.00 0.00 N ATOM 767 CA LYS A 51 3.359 -2.446 -9.349 1.00 0.00 C ATOM 768 C LYS A 51 2.324 -2.570 -8.302 1.00 0.00 C ATOM 769 O LYS A 51 2.076 -1.627 -7.555 1.00 0.00 O ATOM 770 CB LYS A 51 4.722 -2.490 -8.654 1.00 0.00 C ATOM 771 CG LYS A 51 5.910 -2.854 -9.506 1.00 0.00 C ATOM 772 CD LYS A 51 6.250 -1.801 -10.538 1.00 0.00 C ATOM 773 CE LYS A 51 7.532 -2.153 -11.253 1.00 0.00 C ATOM 774 NZ LYS A 51 7.480 -3.493 -11.860 1.00 0.00 N ATOM 0 H LYS A 51 3.417 -0.384 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 51 3.297 -3.269 -10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.909 -1.512 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.661 -3.205 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.775 -3.015 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.710 -3.798 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.437 -1.715 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.352 -0.829 -10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.729 -1.412 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.363 -2.107 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.268 -3.601 -12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.557 -4.215 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.578 -3.611 -12.364 1.00 0.00 H new ATOM 788 N GLU A 52 1.724 -3.706 -8.242 1.00 0.00 N ATOM 789 CA GLU A 52 0.855 -4.013 -7.166 1.00 0.00 C ATOM 790 C GLU A 52 1.431 -5.092 -6.302 1.00 0.00 C ATOM 791 O GLU A 52 1.528 -6.264 -6.676 1.00 0.00 O ATOM 792 CB GLU A 52 -0.658 -4.123 -7.514 1.00 0.00 C ATOM 793 CG GLU A 52 -1.065 -4.888 -8.769 1.00 0.00 C ATOM 794 CD GLU A 52 -0.959 -6.386 -8.675 1.00 0.00 C ATOM 795 OE1 GLU A 52 -1.868 -7.021 -8.108 1.00 0.00 O ATOM 796 OE2 GLU A 52 0.015 -6.965 -9.190 1.00 0.00 O ATOM 0 H GLU A 52 1.822 -4.446 -8.937 1.00 0.00 H new ATOM 0 HA GLU A 52 0.815 -3.124 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.160 -4.588 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.052 -3.110 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.095 -4.628 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.445 -4.548 -9.598 1.00 0.00 H new ATOM 803 N GLY A 53 1.875 -4.661 -5.170 1.00 0.00 N ATOM 804 CA GLY A 53 2.573 -5.502 -4.256 1.00 0.00 C ATOM 805 C GLY A 53 2.063 -5.301 -2.877 1.00 0.00 C ATOM 806 O GLY A 53 1.102 -4.557 -2.679 1.00 0.00 O ATOM 0 H GLY A 53 1.762 -3.700 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.452 -6.546 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.640 -5.282 -4.292 1.00 0.00 H new ATOM 810 N VAL A 54 2.719 -5.876 -1.923 1.00 0.00 N ATOM 811 CA VAL A 54 2.243 -5.840 -0.571 1.00 0.00 C ATOM 812 C VAL A 54 3.173 -5.064 0.317 1.00 0.00 C ATOM 813 O VAL A 54 4.385 -4.960 0.051 1.00 0.00 O ATOM 814 CB VAL A 54 2.026 -7.266 0.010 1.00 0.00 C ATOM 815 CG1 VAL A 54 0.951 -7.993 -0.762 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.316 -8.075 -0.005 1.00 0.00 C ATOM 0 H VAL A 54 3.595 -6.382 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 54 1.278 -5.334 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 54 1.708 -7.155 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.812 -8.989 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.016 -7.437 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.248 -8.078 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.129 -9.066 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.674 -8.171 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.070 -7.568 0.597 1.00 0.00 H new ATOM 826 N PHE A 55 2.594 -4.484 1.326 1.00 0.00 N ATOM 827 CA PHE A 55 3.288 -3.703 2.299 1.00 0.00 C ATOM 828 C PHE A 55 2.504 -3.777 3.609 1.00 0.00 C ATOM 829 O PHE A 55 1.288 -3.966 3.574 1.00 0.00 O ATOM 830 CB PHE A 55 3.406 -2.239 1.804 1.00 0.00 C ATOM 831 CG PHE A 55 2.088 -1.508 1.585 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.489 -0.787 2.610 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.465 -1.538 0.345 1.00 0.00 C ATOM 834 CE1 PHE A 55 0.297 -0.120 2.402 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.273 -0.872 0.135 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.312 -0.163 1.164 1.00 0.00 C ATOM 0 H PHE A 55 1.590 -4.546 1.498 1.00 0.00 H new ATOM 0 HA PHE A 55 4.297 -4.085 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.996 -1.677 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.962 -2.235 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.960 -0.747 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.918 -2.089 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.159 0.435 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.201 -0.906 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.244 0.357 1.001 1.00 0.00 H new ATOM 846 N PRO A 56 3.160 -3.707 4.770 1.00 0.00 N ATOM 847 CA PRO A 56 2.454 -3.670 6.044 1.00 0.00 C ATOM 848 C PRO A 56 1.668 -2.357 6.156 1.00 0.00 C ATOM 849 O PRO A 56 2.221 -1.265 5.930 1.00 0.00 O ATOM 850 CB PRO A 56 3.569 -3.747 7.095 1.00 0.00 C ATOM 851 CG PRO A 56 4.773 -4.209 6.344 1.00 0.00 C ATOM 852 CD PRO A 56 4.614 -3.676 4.953 1.00 0.00 C ATOM 0 HA PRO A 56 1.731 -4.477 6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.742 -2.776 7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.311 -4.442 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.688 -3.836 6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.839 -5.297 6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.014 -2.667 4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.129 -4.295 4.219 1.00 0.00 H new ATOM 860 N ASP A 57 0.388 -2.467 6.496 1.00 0.00 N ATOM 861 CA ASP A 57 -0.554 -1.327 6.503 1.00 0.00 C ATOM 862 C ASP A 57 -0.118 -0.196 7.427 1.00 0.00 C ATOM 863 O ASP A 57 -0.494 0.936 7.220 1.00 0.00 O ATOM 864 CB ASP A 57 -1.982 -1.763 6.886 1.00 0.00 C ATOM 865 CG ASP A 57 -2.225 -1.857 8.384 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.821 -2.862 9.022 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.848 -0.932 8.950 1.00 0.00 O ATOM 0 H ASP A 57 -0.038 -3.350 6.778 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.550 -0.952 5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.693 -1.056 6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.187 -2.734 6.435 1.00 0.00 H new ATOM 872 N ASN A 58 0.710 -0.499 8.409 1.00 0.00 N ATOM 873 CA ASN A 58 1.152 0.500 9.401 1.00 0.00 C ATOM 874 C ASN A 58 2.081 1.562 8.794 1.00 0.00 C ATOM 875 O ASN A 58 2.416 2.553 9.448 1.00 0.00 O ATOM 876 CB ASN A 58 1.825 -0.175 10.607 1.00 0.00 C ATOM 877 CG ASN A 58 3.107 -0.909 10.257 1.00 0.00 C ATOM 878 OD1 ASN A 58 3.073 -2.067 9.847 1.00 0.00 O ATOM 879 ND2 ASN A 58 4.233 -0.273 10.462 1.00 0.00 N ATOM 0 H ASN A 58 1.100 -1.431 8.553 1.00 0.00 H new ATOM 0 HA ASN A 58 0.253 1.014 9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.044 0.582 11.361 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.124 -0.879 11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.122 -0.739 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.221 0.688 10.803 1.00 0.00 H new ATOM 886 N PHE A 59 2.489 1.358 7.555 1.00 0.00 N ATOM 887 CA PHE A 59 3.326 2.319 6.864 1.00 0.00 C ATOM 888 C PHE A 59 2.475 3.314 6.071 1.00 0.00 C ATOM 889 O PHE A 59 3.005 4.232 5.441 1.00 0.00 O ATOM 890 CB PHE A 59 4.329 1.619 5.931 1.00 0.00 C ATOM 891 CG PHE A 59 5.421 0.858 6.639 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.211 -0.422 7.102 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.660 1.438 6.839 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.215 -1.113 7.751 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.667 0.756 7.488 1.00 0.00 C ATOM 896 CZ PHE A 59 7.443 -0.523 7.943 1.00 0.00 C ATOM 0 H PHE A 59 2.253 0.532 7.006 1.00 0.00 H new ATOM 0 HA PHE A 59 3.888 2.866 7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.784 0.930 5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.787 2.368 5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.249 -0.891 6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.842 2.441 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.036 -2.117 8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.629 1.224 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.229 -1.063 8.450 1.00 0.00 H new ATOM 906 N ALA A 60 1.164 3.150 6.118 1.00 0.00 N ATOM 907 CA ALA A 60 0.260 4.005 5.379 1.00 0.00 C ATOM 908 C ALA A 60 -1.018 4.239 6.157 1.00 0.00 C ATOM 909 O ALA A 60 -1.284 3.562 7.138 1.00 0.00 O ATOM 910 CB ALA A 60 -0.061 3.392 4.018 1.00 0.00 C ATOM 0 H ALA A 60 0.702 2.425 6.666 1.00 0.00 H new ATOM 0 HA ALA A 60 0.752 4.965 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.742 4.048 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.860 3.272 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.530 2.418 4.159 1.00 0.00 H new ATOM 916 N VAL A 61 -1.781 5.202 5.738 1.00 0.00 N ATOM 917 CA VAL A 61 -3.059 5.476 6.334 1.00 0.00 C ATOM 918 C VAL A 61 -4.106 5.619 5.231 1.00 0.00 C ATOM 919 O VAL A 61 -3.849 6.252 4.193 1.00 0.00 O ATOM 920 CB VAL A 61 -3.023 6.744 7.254 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.661 8.007 6.478 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.338 6.920 8.006 1.00 0.00 C ATOM 0 H VAL A 61 -1.536 5.825 4.969 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.326 4.640 6.980 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.234 6.581 7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.648 8.860 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.676 7.887 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.400 8.177 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.281 7.808 8.635 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.153 7.033 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.521 6.045 8.629 1.00 0.00 H new ATOM 932 N GLN A 62 -5.238 4.989 5.421 1.00 0.00 N ATOM 933 CA GLN A 62 -6.322 5.050 4.474 1.00 0.00 C ATOM 934 C GLN A 62 -6.931 6.444 4.532 1.00 0.00 C ATOM 935 O GLN A 62 -7.415 6.866 5.573 1.00 0.00 O ATOM 936 CB GLN A 62 -7.378 3.997 4.824 1.00 0.00 C ATOM 937 CG GLN A 62 -8.495 3.875 3.803 1.00 0.00 C ATOM 938 CD GLN A 62 -9.590 2.917 4.238 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.352 1.954 4.979 1.00 0.00 O ATOM 940 NE2 GLN A 62 -10.786 3.155 3.782 1.00 0.00 N ATOM 0 H GLN A 62 -5.434 4.416 6.242 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.955 4.848 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.889 3.029 4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.812 4.242 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.929 4.859 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.078 3.536 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.949 3.957 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.560 2.540 4.034 1.00 0.00 H new ATOM 949 N ILE A 63 -6.879 7.160 3.440 1.00 0.00 N ATOM 950 CA ILE A 63 -7.405 8.515 3.413 1.00 0.00 C ATOM 951 C ILE A 63 -8.817 8.526 2.862 1.00 0.00 C ATOM 952 O ILE A 63 -9.604 9.448 3.099 1.00 0.00 O ATOM 953 CB ILE A 63 -6.508 9.478 2.594 1.00 0.00 C ATOM 954 CG1 ILE A 63 -6.355 9.007 1.132 1.00 0.00 C ATOM 955 CG2 ILE A 63 -5.151 9.617 3.265 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.550 9.946 0.257 1.00 0.00 C ATOM 0 H ILE A 63 -6.482 6.837 2.558 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.416 8.873 4.443 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.991 10.455 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.880 8.026 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.347 8.883 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.526 10.295 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.282 10.016 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.671 8.640 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.491 9.541 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.034 10.922 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.545 10.052 0.665 1.00 0.00 H new ATOM 968 N SER A 64 -9.116 7.532 2.107 1.00 0.00 N ATOM 969 CA SER A 64 -10.375 7.334 1.527 1.00 0.00 C ATOM 970 C SER A 64 -10.567 5.846 1.490 1.00 0.00 C ATOM 971 O SER A 64 -11.471 5.327 2.181 1.00 0.00 O ATOM 972 CB SER A 64 -10.380 7.932 0.129 1.00 0.00 C ATOM 973 OG SER A 64 -10.046 9.329 0.189 1.00 0.00 O ATOM 974 OXT SER A 64 -9.704 5.192 0.908 1.00 0.00 O ATOM 0 H SER A 64 -8.446 6.801 1.870 1.00 0.00 H new ATOM 0 HA SER A 64 -11.181 7.813 2.083 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.665 7.406 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.362 7.804 -0.326 1.00 0.00 H new ATOM 0 HG SER A 64 -10.050 9.705 -0.716 1.00 0.00 H new