USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot -174:sc= -1.96! USER MOD Set 1.2: A 30 ASN : amide:sc= -6.95! C(o=-12!,f=-8.7!) USER MOD Set 1.3: A 43 ASN : amide:sc= -3.46! C(o=-12!,f=-26!) USER MOD Set 1.4: A 46 SER OG : rot 180:sc= 0.00535 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 137:sc= -1.57! USER MOD Single : A 13 ASN : amide:sc= -2.07! C(o=-2.1!,f=-6!) USER MOD Single : A 15 TYR OH : rot -57:sc= 0.00741 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.74! X(o=-1.7!,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.116) USER MOD Single : A 41 HIS : no HE2:sc= -7.51! C(o=-7.5!,f=-6.8!) USER MOD Single : A 44 THR OG1 : rot 118:sc= 0.887 USER MOD Single : A 47 MET CE :methyl 166:sc= -1.45 (180deg=-2.45!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 12.131 1.617 3.599 1.00 0.00 N ATOM 83 CA SER A 7 13.325 1.446 2.724 1.00 0.00 C ATOM 84 C SER A 7 13.221 0.134 1.940 1.00 0.00 C ATOM 85 O SER A 7 13.077 -0.928 2.510 1.00 0.00 O ATOM 86 CB SER A 7 14.517 1.404 3.681 1.00 0.00 C ATOM 87 OG SER A 7 15.699 1.099 2.956 1.00 0.00 O ATOM 0 HA SER A 7 13.419 2.249 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.625 2.364 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.349 0.655 4.455 1.00 0.00 H new ATOM 0 HG SER A 7 16.462 1.074 3.570 1.00 0.00 H new ATOM 93 N TYR A 8 13.293 0.202 0.638 1.00 0.00 N ATOM 94 CA TYR A 8 13.197 -1.042 -0.178 1.00 0.00 C ATOM 95 C TYR A 8 14.026 -2.158 0.462 1.00 0.00 C ATOM 96 O TYR A 8 13.546 -3.251 0.684 1.00 0.00 O ATOM 97 CB TYR A 8 13.765 -0.659 -1.545 1.00 0.00 C ATOM 98 CG TYR A 8 12.977 0.500 -2.103 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.578 0.468 -2.081 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.643 1.608 -2.640 1.00 0.00 C ATOM 101 CE1 TYR A 8 10.844 1.543 -2.596 1.00 0.00 C ATOM 102 CE2 TYR A 8 12.910 2.683 -3.155 1.00 0.00 C ATOM 103 CZ TYR A 8 11.510 2.651 -3.133 1.00 0.00 C ATOM 104 OH TYR A 8 10.787 3.712 -3.640 1.00 0.00 O ATOM 0 H TYR A 8 13.414 1.063 0.105 1.00 0.00 H new ATOM 0 HA TYR A 8 12.175 -1.414 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.817 -0.388 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.714 -1.510 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.064 -0.387 -1.666 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.723 1.633 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.764 1.518 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.424 3.538 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 8 11.194 4.554 -3.348 1.00 0.00 H new ATOM 114 N ALA A 9 15.266 -1.889 0.767 1.00 0.00 N ATOM 115 CA ALA A 9 16.120 -2.935 1.398 1.00 0.00 C ATOM 116 C ALA A 9 15.374 -3.583 2.566 1.00 0.00 C ATOM 117 O ALA A 9 15.633 -4.713 2.931 1.00 0.00 O ATOM 118 CB ALA A 9 17.357 -2.187 1.896 1.00 0.00 C ATOM 0 H ALA A 9 15.724 -0.992 0.607 1.00 0.00 H new ATOM 0 HA ALA A 9 16.382 -3.734 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.039 -2.890 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.859 -1.712 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.056 -1.425 2.615 1.00 0.00 H new ATOM 124 N GLU A 10 14.444 -2.877 3.151 1.00 0.00 N ATOM 125 CA GLU A 10 13.673 -3.453 4.291 1.00 0.00 C ATOM 126 C GLU A 10 12.298 -3.912 3.803 1.00 0.00 C ATOM 127 O GLU A 10 11.764 -4.906 4.256 1.00 0.00 O ATOM 128 CB GLU A 10 13.535 -2.308 5.295 1.00 0.00 C ATOM 129 CG GLU A 10 14.926 -1.879 5.770 1.00 0.00 C ATOM 130 CD GLU A 10 14.792 -1.007 7.020 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.691 -0.553 7.288 1.00 0.00 O ATOM 132 OE2 GLU A 10 15.793 -0.806 7.688 1.00 0.00 O ATOM 0 H GLU A 10 14.185 -1.926 2.889 1.00 0.00 H new ATOM 0 HA GLU A 10 14.164 -4.320 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.020 -1.465 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.930 -2.625 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.534 -2.757 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.437 -1.327 4.981 1.00 0.00 H new ATOM 139 N LEU A 11 11.725 -3.198 2.873 1.00 0.00 N ATOM 140 CA LEU A 11 10.390 -3.592 2.342 1.00 0.00 C ATOM 141 C LEU A 11 10.551 -4.758 1.370 1.00 0.00 C ATOM 142 O LEU A 11 9.915 -5.786 1.500 1.00 0.00 O ATOM 143 CB LEU A 11 9.873 -2.349 1.614 1.00 0.00 C ATOM 144 CG LEU A 11 8.353 -2.436 1.467 1.00 0.00 C ATOM 145 CD1 LEU A 11 7.686 -1.571 2.538 1.00 0.00 C ATOM 146 CD2 LEU A 11 7.948 -1.934 0.081 1.00 0.00 C ATOM 0 H LEU A 11 12.125 -2.357 2.457 1.00 0.00 H new ATOM 0 HA LEU A 11 9.703 -3.916 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.144 -1.451 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.340 -2.270 0.632 1.00 0.00 H new ATOM 0 HG LEU A 11 8.034 -3.471 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.603 -1.633 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.976 -1.928 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.003 -0.535 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.865 -1.995 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.267 -0.898 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.423 -2.550 -0.682 1.00 0.00 H new ATOM 158 N CYS A 12 11.407 -4.607 0.401 1.00 0.00 N ATOM 159 CA CYS A 12 11.628 -5.706 -0.581 1.00 0.00 C ATOM 160 C CYS A 12 12.344 -6.872 0.102 1.00 0.00 C ATOM 161 O CYS A 12 12.336 -7.987 -0.379 1.00 0.00 O ATOM 162 CB CYS A 12 12.513 -5.094 -1.667 1.00 0.00 C ATOM 163 SG CYS A 12 11.477 -4.195 -2.846 1.00 0.00 S ATOM 0 H CYS A 12 11.966 -3.768 0.245 1.00 0.00 H new ATOM 0 HA CYS A 12 10.696 -6.095 -0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.244 -4.420 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.073 -5.876 -2.180 1.00 0.00 H new ATOM 168 N ASN A 13 12.958 -6.618 1.228 1.00 0.00 N ATOM 169 CA ASN A 13 13.670 -7.709 1.953 1.00 0.00 C ATOM 170 C ASN A 13 12.828 -8.982 1.932 1.00 0.00 C ATOM 171 O ASN A 13 13.282 -10.037 1.537 1.00 0.00 O ATOM 172 CB ASN A 13 13.819 -7.194 3.384 1.00 0.00 C ATOM 173 CG ASN A 13 14.778 -8.104 4.157 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.143 -9.161 3.684 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.199 -7.736 5.335 1.00 0.00 N ATOM 0 H ASN A 13 12.997 -5.702 1.676 1.00 0.00 H new ATOM 0 HA ASN A 13 14.632 -7.952 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.197 -6.172 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.847 -7.170 3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.835 -8.336 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.892 -6.848 5.732 1.00 0.00 H new ATOM 182 N GLU A 14 11.599 -8.888 2.351 1.00 0.00 N ATOM 183 CA GLU A 14 10.720 -10.089 2.351 1.00 0.00 C ATOM 184 C GLU A 14 10.884 -10.862 1.039 1.00 0.00 C ATOM 185 O GLU A 14 10.653 -12.054 0.977 1.00 0.00 O ATOM 186 CB GLU A 14 9.298 -9.539 2.474 1.00 0.00 C ATOM 187 CG GLU A 14 8.303 -10.701 2.517 1.00 0.00 C ATOM 188 CD GLU A 14 6.882 -10.150 2.657 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.730 -8.941 2.614 1.00 0.00 O ATOM 190 OE2 GLU A 14 5.971 -10.948 2.804 1.00 0.00 O ATOM 0 H GLU A 14 11.164 -8.031 2.694 1.00 0.00 H new ATOM 0 HA GLU A 14 10.962 -10.779 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.207 -8.935 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.075 -8.886 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.385 -11.298 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.533 -11.360 3.354 1.00 0.00 H new ATOM 197 N TYR A 15 11.280 -10.195 -0.012 1.00 0.00 N ATOM 198 CA TYR A 15 11.457 -10.895 -1.316 1.00 0.00 C ATOM 199 C TYR A 15 12.915 -11.317 -1.504 1.00 0.00 C ATOM 200 O TYR A 15 13.231 -12.129 -2.351 1.00 0.00 O ATOM 201 CB TYR A 15 11.040 -9.876 -2.374 1.00 0.00 C ATOM 202 CG TYR A 15 9.564 -9.607 -2.232 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.654 -10.659 -2.364 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.105 -8.315 -1.957 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.285 -10.424 -2.219 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.734 -8.077 -1.810 1.00 0.00 C ATOM 207 CZ TYR A 15 6.822 -9.132 -1.941 1.00 0.00 C ATOM 208 OH TYR A 15 5.469 -8.898 -1.797 1.00 0.00 O ATOM 0 H TYR A 15 11.488 -9.197 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 15 10.863 -11.807 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.606 -8.952 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.260 -10.256 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.010 -11.656 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.808 -7.501 -1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.583 -11.239 -2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.379 -7.080 -1.596 1.00 0.00 H new ATOM 0 HH TYR A 15 4.999 -9.184 -2.608 1.00 0.00 H new ATOM 218 N ARG A 16 13.809 -10.782 -0.716 1.00 0.00 N ATOM 219 CA ARG A 16 15.241 -11.170 -0.855 1.00 0.00 C ATOM 220 C ARG A 16 15.367 -12.692 -0.786 1.00 0.00 C ATOM 221 O ARG A 16 16.296 -13.276 -1.308 1.00 0.00 O ATOM 222 CB ARG A 16 15.953 -10.519 0.331 1.00 0.00 C ATOM 223 CG ARG A 16 16.348 -9.088 -0.037 1.00 0.00 C ATOM 224 CD ARG A 16 16.912 -8.380 1.195 1.00 0.00 C ATOM 225 NE ARG A 16 16.588 -6.941 0.987 1.00 0.00 N ATOM 226 CZ ARG A 16 17.437 -6.022 1.358 1.00 0.00 C ATOM 227 NH1 ARG A 16 17.957 -5.219 0.470 1.00 0.00 N ATOM 228 NH2 ARG A 16 17.765 -5.906 2.615 1.00 0.00 N ATOM 0 H ARG A 16 13.611 -10.097 0.013 1.00 0.00 H new ATOM 0 HA ARG A 16 15.670 -10.849 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.300 -10.515 1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.839 -11.095 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 16 17.091 -9.099 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.481 -8.546 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.459 -8.759 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 16 17.987 -8.535 1.283 1.00 0.00 H new ATOM 0 HE ARG A 16 15.703 -6.674 0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.700 -5.310 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.621 -4.500 0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.358 -6.534 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.429 -5.188 2.905 1.00 0.00 H new ATOM 242 N LYS A 17 14.430 -13.340 -0.149 1.00 0.00 N ATOM 243 CA LYS A 17 14.484 -14.827 -0.048 1.00 0.00 C ATOM 244 C LYS A 17 13.980 -15.447 -1.351 1.00 0.00 C ATOM 245 O LYS A 17 14.344 -16.549 -1.709 1.00 0.00 O ATOM 246 CB LYS A 17 13.551 -15.194 1.112 1.00 0.00 C ATOM 247 CG LYS A 17 13.679 -14.162 2.235 1.00 0.00 C ATOM 248 CD LYS A 17 13.270 -14.799 3.564 1.00 0.00 C ATOM 249 CE LYS A 17 11.994 -14.129 4.079 1.00 0.00 C ATOM 250 NZ LYS A 17 12.463 -13.157 5.108 1.00 0.00 N ATOM 0 H LYS A 17 13.628 -12.904 0.306 1.00 0.00 H new ATOM 0 HA LYS A 17 15.497 -15.193 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.520 -15.235 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.799 -16.186 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.705 -13.799 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.047 -13.299 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.104 -15.868 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.072 -14.689 4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.459 -13.625 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.309 -14.860 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.645 -12.656 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.963 -13.666 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.108 -12.470 4.668 1.00 0.00 H new ATOM 264 N LEU A 18 13.147 -14.740 -2.068 1.00 0.00 N ATOM 265 CA LEU A 18 12.622 -15.284 -3.352 1.00 0.00 C ATOM 266 C LEU A 18 13.581 -14.923 -4.490 1.00 0.00 C ATOM 267 O LEU A 18 13.836 -15.715 -5.375 1.00 0.00 O ATOM 268 CB LEU A 18 11.263 -14.607 -3.571 1.00 0.00 C ATOM 269 CG LEU A 18 10.549 -14.369 -2.236 1.00 0.00 C ATOM 270 CD1 LEU A 18 9.095 -13.975 -2.504 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.576 -15.643 -1.395 1.00 0.00 C ATOM 0 H LEU A 18 12.808 -13.810 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 18 12.525 -16.369 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.404 -13.657 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.641 -15.230 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 18 11.058 -13.571 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.584 -13.805 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.069 -13.062 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.595 -14.777 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.066 -15.465 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.071 -16.445 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.610 -15.930 -1.202 1.00 0.00 H new ATOM 283 N VAL A 19 14.116 -13.731 -4.469 1.00 0.00 N ATOM 284 CA VAL A 19 15.060 -13.314 -5.546 1.00 0.00 C ATOM 285 C VAL A 19 16.504 -13.582 -5.113 1.00 0.00 C ATOM 286 O VAL A 19 17.027 -12.937 -4.226 1.00 0.00 O ATOM 287 CB VAL A 19 14.822 -11.814 -5.732 1.00 0.00 C ATOM 288 CG1 VAL A 19 14.910 -11.104 -4.382 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.879 -11.239 -6.678 1.00 0.00 C ATOM 0 H VAL A 19 13.940 -13.028 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 19 14.898 -13.865 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 19 13.830 -11.660 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.740 -10.036 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.154 -11.508 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.899 -11.261 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.707 -10.171 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.871 -11.398 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.812 -11.738 -7.645 1.00 0.00 H new ATOM 299 N ARG A 20 17.153 -14.529 -5.734 1.00 0.00 N ATOM 300 CA ARG A 20 18.563 -14.837 -5.358 1.00 0.00 C ATOM 301 C ARG A 20 19.527 -13.953 -6.150 1.00 0.00 C ATOM 302 O ARG A 20 19.997 -12.941 -5.668 1.00 0.00 O ATOM 303 CB ARG A 20 18.759 -16.308 -5.726 1.00 0.00 C ATOM 304 CG ARG A 20 18.214 -17.191 -4.602 1.00 0.00 C ATOM 305 CD ARG A 20 16.821 -17.696 -4.979 1.00 0.00 C ATOM 306 NE ARG A 20 16.484 -18.705 -3.935 1.00 0.00 N ATOM 307 CZ ARG A 20 16.605 -19.979 -4.196 1.00 0.00 C ATOM 308 NH1 ARG A 20 17.543 -20.393 -5.002 1.00 0.00 N ATOM 309 NH2 ARG A 20 15.789 -20.837 -3.648 1.00 0.00 N ATOM 0 H ARG A 20 16.769 -15.102 -6.485 1.00 0.00 H new ATOM 0 HA ARG A 20 18.758 -14.652 -4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 20 18.245 -16.532 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.817 -16.516 -5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.884 -18.034 -4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.168 -16.626 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.096 -16.882 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.818 -18.141 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 20 16.159 -18.401 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.182 -19.722 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.638 -21.388 -5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.057 -20.513 -3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.883 -21.832 -3.852 1.00 0.00 H new ATOM 323 N ASN A 21 19.827 -14.329 -7.362 1.00 0.00 N ATOM 324 CA ASN A 21 20.763 -13.512 -8.186 1.00 0.00 C ATOM 325 C ASN A 21 20.056 -13.003 -9.447 1.00 0.00 C ATOM 326 O ASN A 21 20.630 -12.965 -10.517 1.00 0.00 O ATOM 327 CB ASN A 21 21.898 -14.466 -8.556 1.00 0.00 C ATOM 328 CG ASN A 21 22.571 -14.976 -7.280 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.236 -14.228 -6.589 1.00 0.00 O ATOM 330 ND2 ASN A 21 22.426 -16.226 -6.937 1.00 0.00 N ATOM 0 H ASN A 21 19.465 -15.166 -7.818 1.00 0.00 H new ATOM 0 HA ASN A 21 21.125 -12.634 -7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.509 -15.304 -9.135 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.627 -13.955 -9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.870 -16.577 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.868 -16.853 -7.517 1.00 0.00 H new ATOM 337 N GLY A 22 18.818 -12.609 -9.328 1.00 0.00 N ATOM 338 CA GLY A 22 18.081 -12.102 -10.521 1.00 0.00 C ATOM 339 C GLY A 22 16.852 -12.976 -10.778 1.00 0.00 C ATOM 340 O GLY A 22 16.294 -12.975 -11.858 1.00 0.00 O ATOM 0 H GLY A 22 18.285 -12.616 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.776 -11.068 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.734 -12.110 -11.394 1.00 0.00 H new ATOM 344 N LYS A 23 16.423 -13.721 -9.797 1.00 0.00 N ATOM 345 CA LYS A 23 15.228 -14.593 -9.991 1.00 0.00 C ATOM 346 C LYS A 23 14.281 -14.466 -8.795 1.00 0.00 C ATOM 347 O LYS A 23 14.311 -15.268 -7.882 1.00 0.00 O ATOM 348 CB LYS A 23 15.784 -16.013 -10.085 1.00 0.00 C ATOM 349 CG LYS A 23 14.628 -17.014 -10.109 1.00 0.00 C ATOM 350 CD LYS A 23 13.980 -17.013 -11.496 1.00 0.00 C ATOM 351 CE LYS A 23 13.228 -18.328 -11.709 1.00 0.00 C ATOM 352 NZ LYS A 23 13.478 -18.683 -13.135 1.00 0.00 N ATOM 0 H LYS A 23 16.847 -13.764 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 23 14.658 -14.319 -10.879 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.389 -16.119 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.437 -16.216 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.992 -18.012 -9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.890 -16.752 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.294 -16.171 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.742 -16.889 -12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.593 -19.106 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.162 -18.211 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.994 -19.576 -13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.114 -17.927 -13.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.500 -18.794 -13.291 1.00 0.00 H new ATOM 366 N LEU A 24 13.441 -13.466 -8.792 1.00 0.00 N ATOM 367 CA LEU A 24 12.496 -13.291 -7.652 1.00 0.00 C ATOM 368 C LEU A 24 11.314 -14.251 -7.796 1.00 0.00 C ATOM 369 O LEU A 24 10.728 -14.378 -8.852 1.00 0.00 O ATOM 370 CB LEU A 24 12.024 -11.838 -7.748 1.00 0.00 C ATOM 371 CG LEU A 24 11.015 -11.545 -6.633 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.688 -11.697 -5.270 1.00 0.00 C ATOM 373 CD2 LEU A 24 10.501 -10.112 -6.772 1.00 0.00 C ATOM 0 H LEU A 24 13.368 -12.764 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 24 12.963 -13.504 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.876 -11.163 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.567 -11.658 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 24 10.186 -12.248 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.965 -11.487 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.060 -12.716 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.520 -10.997 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.783 -9.904 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.337 -9.417 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.016 -9.992 -7.741 1.00 0.00 H new ATOM 385 N ALA A 25 10.961 -14.933 -6.739 1.00 0.00 N ATOM 386 CA ALA A 25 9.820 -15.889 -6.815 1.00 0.00 C ATOM 387 C ALA A 25 8.592 -15.313 -6.105 1.00 0.00 C ATOM 388 O ALA A 25 8.564 -15.179 -4.899 1.00 0.00 O ATOM 389 CB ALA A 25 10.312 -17.147 -6.097 1.00 0.00 C ATOM 0 H ALA A 25 11.414 -14.869 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 25 9.522 -16.093 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.527 -17.903 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.196 -17.533 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.564 -16.902 -5.065 1.00 0.00 H new ATOM 395 N CYS A 26 7.574 -14.978 -6.849 1.00 0.00 N ATOM 396 CA CYS A 26 6.342 -14.417 -6.225 1.00 0.00 C ATOM 397 C CYS A 26 5.109 -14.858 -7.014 1.00 0.00 C ATOM 398 O CYS A 26 5.170 -15.754 -7.832 1.00 0.00 O ATOM 399 CB CYS A 26 6.513 -12.900 -6.297 1.00 0.00 C ATOM 400 SG CYS A 26 6.427 -12.211 -4.625 1.00 0.00 S ATOM 0 H CYS A 26 7.542 -15.069 -7.864 1.00 0.00 H new ATOM 0 HA CYS A 26 6.204 -14.759 -5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.469 -12.651 -6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.735 -12.464 -6.923 1.00 0.00 H new ATOM 405 N THR A 27 3.988 -14.241 -6.768 1.00 0.00 N ATOM 406 CA THR A 27 2.749 -14.629 -7.499 1.00 0.00 C ATOM 407 C THR A 27 2.466 -13.652 -8.641 1.00 0.00 C ATOM 408 O THR A 27 3.303 -12.857 -9.017 1.00 0.00 O ATOM 409 CB THR A 27 1.641 -14.571 -6.452 1.00 0.00 C ATOM 410 OG1 THR A 27 1.668 -13.307 -5.805 1.00 0.00 O ATOM 411 CG2 THR A 27 1.860 -15.678 -5.423 1.00 0.00 C ATOM 0 H THR A 27 3.875 -13.485 -6.093 1.00 0.00 H new ATOM 0 HA THR A 27 2.833 -15.617 -7.952 1.00 0.00 H new ATOM 0 HB THR A 27 0.673 -14.709 -6.934 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.020 -13.302 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.070 -15.639 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.840 -16.647 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.827 -15.539 -4.939 1.00 0.00 H new ATOM 419 N ARG A 28 1.288 -13.717 -9.198 1.00 0.00 N ATOM 420 CA ARG A 28 0.940 -12.803 -10.324 1.00 0.00 C ATOM 421 C ARG A 28 0.294 -11.517 -9.797 1.00 0.00 C ATOM 422 O ARG A 28 0.073 -10.579 -10.536 1.00 0.00 O ATOM 423 CB ARG A 28 -0.057 -13.592 -11.173 1.00 0.00 C ATOM 424 CG ARG A 28 -0.442 -12.771 -12.404 1.00 0.00 C ATOM 425 CD ARG A 28 -1.662 -13.404 -13.077 1.00 0.00 C ATOM 426 NE ARG A 28 -1.269 -14.821 -13.321 1.00 0.00 N ATOM 427 CZ ARG A 28 -2.178 -15.758 -13.327 1.00 0.00 C ATOM 428 NH1 ARG A 28 -2.499 -16.349 -14.445 1.00 0.00 N ATOM 429 NH2 ARG A 28 -2.766 -16.104 -12.214 1.00 0.00 N ATOM 0 H ARG A 28 0.550 -14.364 -8.922 1.00 0.00 H new ATOM 0 HA ARG A 28 1.819 -12.500 -10.893 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.382 -14.542 -11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.945 -13.826 -10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.665 -11.744 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.393 -12.731 -13.104 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.543 -13.342 -12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.908 -12.895 -14.009 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.290 -15.058 -13.483 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.040 -16.079 -15.315 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.209 -17.081 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.515 -15.642 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.476 -16.836 -12.219 1.00 0.00 H new ATOM 443 N GLU A 29 -0.015 -11.463 -8.530 1.00 0.00 N ATOM 444 CA GLU A 29 -0.649 -10.232 -7.975 1.00 0.00 C ATOM 445 C GLU A 29 -0.325 -10.082 -6.486 1.00 0.00 C ATOM 446 O GLU A 29 -0.522 -10.991 -5.703 1.00 0.00 O ATOM 447 CB GLU A 29 -2.151 -10.438 -8.178 1.00 0.00 C ATOM 448 CG GLU A 29 -2.885 -9.120 -7.922 1.00 0.00 C ATOM 449 CD GLU A 29 -4.395 -9.352 -8.008 1.00 0.00 C ATOM 450 OE1 GLU A 29 -4.786 -10.461 -8.330 1.00 0.00 O ATOM 451 OE2 GLU A 29 -5.133 -8.415 -7.750 1.00 0.00 O ATOM 0 H GLU A 29 0.143 -12.214 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.287 -9.328 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.348 -10.785 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.518 -11.209 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.622 -8.730 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.579 -8.373 -8.654 1.00 0.00 H new ATOM 458 N ASN A 30 0.167 -8.938 -6.089 1.00 0.00 N ATOM 459 CA ASN A 30 0.501 -8.723 -4.650 1.00 0.00 C ATOM 460 C ASN A 30 0.465 -7.228 -4.319 1.00 0.00 C ATOM 461 O ASN A 30 1.450 -6.650 -3.907 1.00 0.00 O ATOM 462 CB ASN A 30 1.919 -9.271 -4.482 1.00 0.00 C ATOM 463 CG ASN A 30 1.950 -10.744 -4.891 1.00 0.00 C ATOM 464 OD1 ASN A 30 1.262 -11.562 -4.313 1.00 0.00 O ATOM 465 ND2 ASN A 30 2.728 -11.119 -5.869 1.00 0.00 N ATOM 0 H ASN A 30 0.352 -8.142 -6.700 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.208 -9.217 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.616 -8.698 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.241 -9.164 -3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.759 -12.099 -6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.305 -10.432 -6.354 1.00 0.00 H new ATOM 472 N ASP A 31 -0.665 -6.600 -4.497 1.00 0.00 N ATOM 473 CA ASP A 31 -0.763 -5.142 -4.192 1.00 0.00 C ATOM 474 C ASP A 31 0.112 -4.339 -5.162 1.00 0.00 C ATOM 475 O ASP A 31 1.271 -4.095 -4.889 1.00 0.00 O ATOM 476 CB ASP A 31 -0.248 -5.000 -2.760 1.00 0.00 C ATOM 477 CG ASP A 31 -1.224 -4.144 -1.951 1.00 0.00 C ATOM 478 OD1 ASP A 31 -1.740 -3.187 -2.504 1.00 0.00 O ATOM 479 OD2 ASP A 31 -1.441 -4.461 -0.793 1.00 0.00 O ATOM 0 H ASP A 31 -1.524 -7.031 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.781 -4.765 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.142 -5.983 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.741 -4.541 -2.761 1.00 0.00 H new ATOM 484 N PRO A 32 -0.472 -3.950 -6.269 1.00 0.00 N ATOM 485 CA PRO A 32 0.264 -3.167 -7.287 1.00 0.00 C ATOM 486 C PRO A 32 0.709 -1.820 -6.713 1.00 0.00 C ATOM 487 O PRO A 32 0.034 -1.227 -5.894 1.00 0.00 O ATOM 488 CB PRO A 32 -0.781 -2.974 -8.389 1.00 0.00 C ATOM 489 CG PRO A 32 -2.090 -3.661 -7.954 1.00 0.00 C ATOM 490 CD PRO A 32 -1.888 -4.272 -6.562 1.00 0.00 C ATOM 0 HA PRO A 32 1.173 -3.655 -7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.952 -1.912 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.424 -3.400 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.907 -2.939 -7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.366 -4.435 -8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.563 -3.836 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.068 -5.347 -6.561 1.00 0.00 H new ATOM 498 N ILE A 33 1.839 -1.336 -7.141 1.00 0.00 N ATOM 499 CA ILE A 33 2.338 -0.023 -6.631 1.00 0.00 C ATOM 500 C ILE A 33 3.210 0.653 -7.693 1.00 0.00 C ATOM 501 O ILE A 33 3.233 0.252 -8.839 1.00 0.00 O ATOM 502 CB ILE A 33 3.160 -0.348 -5.373 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.560 -0.830 -5.767 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.459 -1.441 -4.561 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.443 -1.960 -6.788 1.00 0.00 C ATOM 0 H ILE A 33 2.443 -1.792 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 33 1.523 0.663 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 33 3.247 0.556 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.135 -0.005 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.098 -1.177 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.047 -1.667 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.469 -1.095 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.362 -2.340 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.439 -2.302 -7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.884 -2.788 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.922 -1.597 -7.674 1.00 0.00 H new ATOM 517 N GLN A 34 3.925 1.675 -7.319 1.00 0.00 N ATOM 518 CA GLN A 34 4.795 2.378 -8.306 1.00 0.00 C ATOM 519 C GLN A 34 6.263 2.283 -7.881 1.00 0.00 C ATOM 520 O GLN A 34 6.606 2.516 -6.739 1.00 0.00 O ATOM 521 CB GLN A 34 4.324 3.832 -8.286 1.00 0.00 C ATOM 522 CG GLN A 34 5.077 4.624 -9.358 1.00 0.00 C ATOM 523 CD GLN A 34 4.660 6.095 -9.293 1.00 0.00 C ATOM 524 OE1 GLN A 34 4.786 6.730 -8.264 1.00 0.00 O ATOM 525 NE2 GLN A 34 4.164 6.668 -10.355 1.00 0.00 N ATOM 0 H GLN A 34 3.946 2.056 -6.373 1.00 0.00 H new ATOM 0 HA GLN A 34 4.725 1.941 -9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.251 3.881 -8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.500 4.270 -7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.152 4.533 -9.205 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.860 4.217 -10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.058 6.136 -11.219 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.882 7.648 -10.321 1.00 0.00 H new ATOM 534 N GLY A 35 7.132 1.944 -8.794 1.00 0.00 N ATOM 535 CA GLY A 35 8.576 1.835 -8.444 1.00 0.00 C ATOM 536 C GLY A 35 9.105 3.212 -8.027 1.00 0.00 C ATOM 537 O GLY A 35 8.485 4.219 -8.303 1.00 0.00 O ATOM 0 H GLY A 35 6.904 1.738 -9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.712 1.120 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.141 1.459 -9.297 1.00 0.00 H new ATOM 541 N PRO A 36 10.241 3.213 -7.372 1.00 0.00 N ATOM 542 CA PRO A 36 10.855 4.481 -6.914 1.00 0.00 C ATOM 543 C PRO A 36 11.176 5.381 -8.111 1.00 0.00 C ATOM 544 O PRO A 36 11.364 6.573 -7.970 1.00 0.00 O ATOM 545 CB PRO A 36 12.136 4.005 -6.224 1.00 0.00 C ATOM 546 CG PRO A 36 12.207 2.467 -6.315 1.00 0.00 C ATOM 547 CD PRO A 36 10.965 1.957 -7.057 1.00 0.00 C ATOM 0 HA PRO A 36 10.211 5.071 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.009 4.452 -6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.143 4.322 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.112 2.162 -6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.255 2.032 -5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.229 1.404 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.368 1.289 -6.437 1.00 0.00 H new ATOM 555 N ASP A 37 11.240 4.819 -9.286 1.00 0.00 N ATOM 556 CA ASP A 37 11.549 5.642 -10.491 1.00 0.00 C ATOM 557 C ASP A 37 10.288 6.349 -10.986 1.00 0.00 C ATOM 558 O ASP A 37 10.330 7.145 -11.902 1.00 0.00 O ATOM 559 CB ASP A 37 12.051 4.644 -11.534 1.00 0.00 C ATOM 560 CG ASP A 37 13.326 3.968 -11.024 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.904 4.478 -10.078 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.702 2.954 -11.587 1.00 0.00 O ATOM 0 H ASP A 37 11.092 3.826 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 37 12.285 6.418 -10.283 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.285 3.895 -11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.250 5.156 -12.476 1.00 0.00 H new ATOM 567 N GLY A 38 9.167 6.068 -10.384 1.00 0.00 N ATOM 568 CA GLY A 38 7.905 6.729 -10.818 1.00 0.00 C ATOM 569 C GLY A 38 7.113 5.780 -11.720 1.00 0.00 C ATOM 570 O GLY A 38 5.925 5.944 -11.917 1.00 0.00 O ATOM 0 H GLY A 38 9.070 5.410 -9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.308 7.003 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.131 7.652 -11.353 1.00 0.00 H new ATOM 574 N LYS A 39 7.761 4.790 -12.272 1.00 0.00 N ATOM 575 CA LYS A 39 7.042 3.834 -13.162 1.00 0.00 C ATOM 576 C LYS A 39 6.303 2.784 -12.329 1.00 0.00 C ATOM 577 O LYS A 39 6.658 2.511 -11.200 1.00 0.00 O ATOM 578 CB LYS A 39 8.138 3.178 -14.003 1.00 0.00 C ATOM 579 CG LYS A 39 7.502 2.237 -15.028 1.00 0.00 C ATOM 580 CD LYS A 39 8.597 1.428 -15.726 1.00 0.00 C ATOM 581 CE LYS A 39 8.005 0.705 -16.937 1.00 0.00 C ATOM 582 NZ LYS A 39 7.240 -0.438 -16.362 1.00 0.00 N ATOM 0 H LYS A 39 8.756 4.602 -12.145 1.00 0.00 H new ATOM 0 HA LYS A 39 6.293 4.329 -13.780 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.727 3.942 -14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.822 2.624 -13.360 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.798 1.567 -14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.935 2.810 -15.761 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.405 2.087 -16.042 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.028 0.706 -15.033 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.357 1.365 -17.513 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.787 0.358 -17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.533 -1.321 -16.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.430 -0.505 -15.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.223 -0.287 -16.515 1.00 0.00 H new ATOM 596 N VAL A 40 5.277 2.194 -12.879 1.00 0.00 N ATOM 597 CA VAL A 40 4.516 1.161 -12.119 1.00 0.00 C ATOM 598 C VAL A 40 5.034 -0.238 -12.462 1.00 0.00 C ATOM 599 O VAL A 40 5.743 -0.427 -13.430 1.00 0.00 O ATOM 600 CB VAL A 40 3.066 1.323 -12.576 1.00 0.00 C ATOM 601 CG1 VAL A 40 2.170 0.377 -11.773 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.616 2.767 -12.346 1.00 0.00 C ATOM 0 H VAL A 40 4.933 2.382 -13.821 1.00 0.00 H new ATOM 0 HA VAL A 40 4.620 1.281 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 40 2.991 1.084 -13.637 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.136 0.492 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.489 -0.652 -11.936 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.246 0.617 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.582 2.882 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.691 3.007 -11.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.254 3.442 -12.917 1.00 0.00 H new ATOM 612 N HIS A 41 4.685 -1.219 -11.677 1.00 0.00 N ATOM 613 CA HIS A 41 5.157 -2.605 -11.959 1.00 0.00 C ATOM 614 C HIS A 41 3.991 -3.591 -11.861 1.00 0.00 C ATOM 615 O HIS A 41 2.850 -3.204 -11.702 1.00 0.00 O ATOM 616 CB HIS A 41 6.199 -2.896 -10.878 1.00 0.00 C ATOM 617 CG HIS A 41 7.320 -1.897 -10.981 1.00 0.00 C ATOM 618 ND1 HIS A 41 8.433 -2.115 -11.777 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.513 -0.673 -10.392 1.00 0.00 C ATOM 620 CE1 HIS A 41 9.240 -1.045 -11.647 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.726 -0.136 -10.815 1.00 0.00 N ATOM 0 H HIS A 41 4.093 -1.122 -10.852 1.00 0.00 H new ATOM 0 HA HIS A 41 5.572 -2.704 -12.962 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.740 -2.843 -9.891 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.587 -3.908 -10.995 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.609 -2.936 -12.356 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.828 -0.198 -9.705 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.187 -0.935 -12.154 1.00 0.00 H new ATOM 629 N GLY A 42 4.267 -4.863 -11.953 1.00 0.00 N ATOM 630 CA GLY A 42 3.172 -5.870 -11.865 1.00 0.00 C ATOM 631 C GLY A 42 2.649 -5.930 -10.428 1.00 0.00 C ATOM 632 O GLY A 42 1.490 -5.677 -10.167 1.00 0.00 O ATOM 0 H GLY A 42 5.202 -5.248 -12.085 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.364 -5.605 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.539 -6.850 -12.171 1.00 0.00 H new ATOM 636 N ASN A 43 3.497 -6.263 -9.492 1.00 0.00 N ATOM 637 CA ASN A 43 3.049 -6.337 -8.072 1.00 0.00 C ATOM 638 C ASN A 43 4.150 -5.835 -7.139 1.00 0.00 C ATOM 639 O ASN A 43 5.087 -5.183 -7.555 1.00 0.00 O ATOM 640 CB ASN A 43 2.768 -7.817 -7.817 1.00 0.00 C ATOM 641 CG ASN A 43 4.055 -8.624 -8.010 1.00 0.00 C ATOM 642 OD1 ASN A 43 5.140 -8.103 -7.851 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.978 -9.881 -8.349 1.00 0.00 N ATOM 0 H ASN A 43 4.480 -6.487 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 43 2.171 -5.718 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.388 -7.956 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.997 -8.174 -8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.830 -10.427 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.066 -10.318 -8.482 1.00 0.00 H new ATOM 650 N THR A 44 4.035 -6.131 -5.877 1.00 0.00 N ATOM 651 CA THR A 44 5.063 -5.673 -4.900 1.00 0.00 C ATOM 652 C THR A 44 6.406 -6.353 -5.174 1.00 0.00 C ATOM 653 O THR A 44 7.456 -5.790 -4.939 1.00 0.00 O ATOM 654 CB THR A 44 4.525 -6.088 -3.531 1.00 0.00 C ATOM 655 OG1 THR A 44 3.325 -5.376 -3.260 1.00 0.00 O ATOM 656 CG2 THR A 44 5.563 -5.768 -2.456 1.00 0.00 C ATOM 0 H THR A 44 3.270 -6.673 -5.476 1.00 0.00 H new ATOM 0 HA THR A 44 5.235 -4.599 -4.964 1.00 0.00 H new ATOM 0 HB THR A 44 4.321 -7.159 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.583 -6.009 -3.164 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.179 -6.064 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.483 -6.314 -2.665 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.768 -4.698 -2.456 1.00 0.00 H new ATOM 664 N CYS A 45 6.382 -7.560 -5.668 1.00 0.00 N ATOM 665 CA CYS A 45 7.666 -8.267 -5.951 1.00 0.00 C ATOM 666 C CYS A 45 8.291 -7.706 -7.230 1.00 0.00 C ATOM 667 O CYS A 45 9.426 -7.272 -7.237 1.00 0.00 O ATOM 668 CB CYS A 45 7.310 -9.745 -6.133 1.00 0.00 C ATOM 669 SG CYS A 45 6.065 -10.247 -4.918 1.00 0.00 S ATOM 0 H CYS A 45 5.536 -8.086 -5.887 1.00 0.00 H new ATOM 0 HA CYS A 45 8.387 -8.135 -5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.932 -9.913 -7.141 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.205 -10.358 -6.021 1.00 0.00 H new ATOM 674 N SER A 46 7.559 -7.702 -8.312 1.00 0.00 N ATOM 675 CA SER A 46 8.119 -7.152 -9.579 1.00 0.00 C ATOM 676 C SER A 46 8.834 -5.835 -9.281 1.00 0.00 C ATOM 677 O SER A 46 9.939 -5.598 -9.728 1.00 0.00 O ATOM 678 CB SER A 46 6.911 -6.917 -10.485 1.00 0.00 C ATOM 679 OG SER A 46 6.223 -8.144 -10.685 1.00 0.00 O ATOM 0 H SER A 46 6.603 -8.054 -8.373 1.00 0.00 H new ATOM 0 HA SER A 46 8.841 -7.821 -10.047 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.243 -6.182 -10.035 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.235 -6.509 -11.442 1.00 0.00 H new ATOM 0 HG SER A 46 5.447 -7.993 -11.265 1.00 0.00 H new ATOM 685 N MET A 47 8.216 -4.983 -8.508 1.00 0.00 N ATOM 686 CA MET A 47 8.864 -3.690 -8.156 1.00 0.00 C ATOM 687 C MET A 47 10.142 -3.971 -7.369 1.00 0.00 C ATOM 688 O MET A 47 11.112 -3.244 -7.444 1.00 0.00 O ATOM 689 CB MET A 47 7.842 -2.967 -7.281 1.00 0.00 C ATOM 690 CG MET A 47 7.938 -1.459 -7.518 1.00 0.00 C ATOM 691 SD MET A 47 8.132 -0.615 -5.929 1.00 0.00 S ATOM 692 CE MET A 47 9.717 -1.357 -5.469 1.00 0.00 C ATOM 0 H MET A 47 7.290 -5.128 -8.106 1.00 0.00 H new ATOM 0 HA MET A 47 9.138 -3.097 -9.028 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.837 -3.318 -7.513 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.024 -3.192 -6.230 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.784 -1.235 -8.168 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.042 -1.101 -8.026 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.153 -0.800 -4.640 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.560 -2.393 -5.168 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.394 -1.326 -6.322 1.00 0.00 H new ATOM 702 N CYS A 48 10.142 -5.037 -6.617 1.00 0.00 N ATOM 703 CA CYS A 48 11.345 -5.400 -5.818 1.00 0.00 C ATOM 704 C CYS A 48 12.405 -6.023 -6.729 1.00 0.00 C ATOM 705 O CYS A 48 13.587 -5.960 -6.456 1.00 0.00 O ATOM 706 CB CYS A 48 10.837 -6.418 -4.795 1.00 0.00 C ATOM 707 SG CYS A 48 10.081 -5.544 -3.403 1.00 0.00 S ATOM 0 H CYS A 48 9.353 -5.677 -6.522 1.00 0.00 H new ATOM 0 HA CYS A 48 11.809 -4.539 -5.337 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.110 -7.084 -5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.661 -7.040 -4.444 1.00 0.00 H new ATOM 712 N GLU A 49 11.990 -6.618 -7.816 1.00 0.00 N ATOM 713 CA GLU A 49 12.975 -7.237 -8.749 1.00 0.00 C ATOM 714 C GLU A 49 13.878 -6.152 -9.342 1.00 0.00 C ATOM 715 O GLU A 49 15.060 -6.355 -9.540 1.00 0.00 O ATOM 716 CB GLU A 49 12.132 -7.893 -9.843 1.00 0.00 C ATOM 717 CG GLU A 49 11.325 -9.045 -9.244 1.00 0.00 C ATOM 718 CD GLU A 49 10.672 -9.848 -10.371 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.703 -9.383 -11.498 1.00 0.00 O ATOM 720 OE2 GLU A 49 10.151 -10.914 -10.087 1.00 0.00 O ATOM 0 H GLU A 49 11.013 -6.702 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 49 13.622 -7.960 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.461 -7.159 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.776 -8.263 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.975 -9.690 -8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.562 -8.657 -8.570 1.00 0.00 H new ATOM 727 N VAL A 50 13.333 -4.997 -9.613 1.00 0.00 N ATOM 728 CA VAL A 50 14.164 -3.896 -10.175 1.00 0.00 C ATOM 729 C VAL A 50 15.229 -3.516 -9.161 1.00 0.00 C ATOM 730 O VAL A 50 16.412 -3.528 -9.439 1.00 0.00 O ATOM 731 CB VAL A 50 13.198 -2.735 -10.378 1.00 0.00 C ATOM 732 CG1 VAL A 50 13.953 -1.539 -10.960 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.089 -3.164 -11.332 1.00 0.00 C ATOM 0 H VAL A 50 12.349 -4.769 -9.469 1.00 0.00 H new ATOM 0 HA VAL A 50 14.663 -4.174 -11.103 1.00 0.00 H new ATOM 0 HB VAL A 50 12.760 -2.449 -9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.262 -0.708 -11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.743 -1.238 -10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.392 -1.817 -11.918 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.396 -2.336 -11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.523 -3.449 -12.290 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.554 -4.014 -10.909 1.00 0.00 H new ATOM 743 N PHE A 51 14.807 -3.194 -7.975 1.00 0.00 N ATOM 744 CA PHE A 51 15.782 -2.829 -6.917 1.00 0.00 C ATOM 745 C PHE A 51 16.764 -3.982 -6.736 1.00 0.00 C ATOM 746 O PHE A 51 17.962 -3.793 -6.663 1.00 0.00 O ATOM 747 CB PHE A 51 14.943 -2.627 -5.658 1.00 0.00 C ATOM 748 CG PHE A 51 15.845 -2.617 -4.454 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.994 -1.819 -4.448 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.533 -3.406 -3.343 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.832 -1.807 -3.327 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.370 -3.395 -2.220 1.00 0.00 C ATOM 753 CZ PHE A 51 17.520 -2.595 -2.212 1.00 0.00 C ATOM 0 H PHE A 51 13.827 -3.168 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 51 16.360 -1.936 -7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.392 -1.689 -5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 51 14.205 -3.424 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.234 -1.212 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.647 -4.024 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.719 -1.190 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.129 -4.003 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 51 18.166 -2.586 -1.346 1.00 0.00 H new ATOM 763 N PHE A 52 16.257 -5.180 -6.691 1.00 0.00 N ATOM 764 CA PHE A 52 17.147 -6.363 -6.544 1.00 0.00 C ATOM 765 C PHE A 52 18.136 -6.390 -7.705 1.00 0.00 C ATOM 766 O PHE A 52 19.314 -6.631 -7.533 1.00 0.00 O ATOM 767 CB PHE A 52 16.214 -7.574 -6.614 1.00 0.00 C ATOM 768 CG PHE A 52 15.548 -7.790 -5.278 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.282 -7.650 -4.094 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.192 -8.134 -5.224 1.00 0.00 C ATOM 771 CE1 PHE A 52 15.660 -7.856 -2.857 1.00 0.00 C ATOM 772 CE2 PHE A 52 13.570 -8.340 -3.989 1.00 0.00 C ATOM 773 CZ PHE A 52 14.303 -8.201 -2.805 1.00 0.00 C ATOM 0 H PHE A 52 15.261 -5.392 -6.750 1.00 0.00 H new ATOM 0 HA PHE A 52 17.720 -6.349 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.459 -7.418 -7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.779 -8.463 -6.896 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.328 -7.383 -4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.626 -8.240 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.226 -7.749 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.524 -8.606 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.823 -8.360 -1.851 1.00 0.00 H new ATOM 783 N GLN A 53 17.659 -6.132 -8.891 1.00 0.00 N ATOM 784 CA GLN A 53 18.562 -6.126 -10.074 1.00 0.00 C ATOM 785 C GLN A 53 19.647 -5.067 -9.884 1.00 0.00 C ATOM 786 O GLN A 53 20.815 -5.308 -10.114 1.00 0.00 O ATOM 787 CB GLN A 53 17.657 -5.759 -11.248 1.00 0.00 C ATOM 788 CG GLN A 53 18.328 -6.173 -12.560 1.00 0.00 C ATOM 789 CD GLN A 53 17.719 -5.376 -13.716 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.354 -4.498 -14.265 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.505 -5.648 -14.112 1.00 0.00 N ATOM 0 H GLN A 53 16.681 -5.925 -9.092 1.00 0.00 H new ATOM 0 HA GLN A 53 19.065 -7.081 -10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.693 -6.258 -11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.463 -4.686 -11.249 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.402 -5.992 -12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.193 -7.241 -12.729 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.971 -6.385 -13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.090 -5.123 -14.882 1.00 0.00 H new ATOM 800 N ALA A 54 19.264 -3.897 -9.458 1.00 0.00 N ATOM 801 CA ALA A 54 20.264 -2.814 -9.243 1.00 0.00 C ATOM 802 C ALA A 54 21.343 -3.280 -8.261 1.00 0.00 C ATOM 803 O ALA A 54 22.513 -3.000 -8.435 1.00 0.00 O ATOM 804 CB ALA A 54 19.469 -1.650 -8.655 1.00 0.00 C ATOM 0 H ALA A 54 18.299 -3.643 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 54 20.773 -2.533 -10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.138 -0.810 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.694 -1.347 -9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.007 -1.961 -7.718 1.00 0.00 H new ATOM 810 N GLU A 55 20.963 -3.989 -7.232 1.00 0.00 N ATOM 811 CA GLU A 55 21.977 -4.467 -6.250 1.00 0.00 C ATOM 812 C GLU A 55 23.126 -5.157 -6.984 1.00 0.00 C ATOM 813 O GLU A 55 24.281 -5.010 -6.633 1.00 0.00 O ATOM 814 CB GLU A 55 21.233 -5.460 -5.357 1.00 0.00 C ATOM 815 CG GLU A 55 20.147 -4.726 -4.569 1.00 0.00 C ATOM 816 CD GLU A 55 19.387 -5.726 -3.694 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.670 -6.908 -3.798 1.00 0.00 O ATOM 818 OE2 GLU A 55 18.536 -5.292 -2.936 1.00 0.00 O ATOM 0 H GLU A 55 20.000 -4.256 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 55 22.411 -3.652 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.787 -6.247 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.930 -5.942 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.595 -3.950 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.459 -4.229 -5.253 1.00 0.00 H new ATOM 825 N GLU A 56 22.818 -5.902 -8.007 1.00 0.00 N ATOM 826 CA GLU A 56 23.890 -6.597 -8.772 1.00 0.00 C ATOM 827 C GLU A 56 24.642 -5.587 -9.643 1.00 0.00 C ATOM 828 O GLU A 56 25.771 -5.806 -10.034 1.00 0.00 O ATOM 829 CB GLU A 56 23.157 -7.619 -9.643 1.00 0.00 C ATOM 830 CG GLU A 56 22.608 -8.740 -8.761 1.00 0.00 C ATOM 831 CD GLU A 56 23.760 -9.412 -8.011 1.00 0.00 C ATOM 832 OE1 GLU A 56 24.896 -9.211 -8.409 1.00 0.00 O ATOM 833 OE2 GLU A 56 23.488 -10.115 -7.052 1.00 0.00 O ATOM 0 H GLU A 56 21.870 -6.060 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 56 24.625 -7.073 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.343 -7.135 -10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 56 23.836 -8.029 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 56 21.884 -8.338 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 22.082 -9.473 -9.372 1.00 0.00 H new