USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 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 1 GLY N :NH3+ -134:sc= 0.0313 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0898 X(o=-0.09,f=-0.52) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.1) USER MOD Single : A 19 TYR OH : rot 153:sc= -0.566 USER MOD Single : A 21 ASN : amide:sc= -4.36 K(o=-4.4,f=-15!) USER MOD Single : B 1 PHE N :NH3+ -157:sc= 0.342 (180deg=-0.265) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN :FLIP amide:sc= -4.44! C(o=-5.6!,f=-4.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 150:sc= -1.03 USER MOD Single : B 26 TYR OH : rot 126:sc= 0.0243 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.730 4.408 1.528 1.00 0.00 N ATOM 2 CA GLY A 1 -8.855 3.208 1.624 1.00 0.00 C ATOM 3 C GLY A 1 -7.383 3.565 1.663 1.00 0.00 C ATOM 4 O GLY A 1 -7.014 4.659 2.092 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.512 4.323 2.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.175 5.261 1.743 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.116 4.480 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.113 2.645 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.045 2.555 0.772 1.00 0.00 H new ATOM 10 N ILE A 2 -6.538 2.641 1.217 1.00 0.00 N ATOM 11 CA ILE A 2 -5.099 2.865 1.203 1.00 0.00 C ATOM 12 C ILE A 2 -4.742 4.072 0.345 1.00 0.00 C ATOM 13 O ILE A 2 -3.921 4.904 0.730 1.00 0.00 O ATOM 14 CB ILE A 2 -4.343 1.628 0.681 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.695 1.350 -0.783 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.663 0.417 1.543 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.039 0.103 -1.335 1.00 0.00 C ATOM 0 H ILE A 2 -6.826 1.730 0.861 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.796 3.055 2.233 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.273 1.829 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.777 1.254 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.398 2.206 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.123 -0.451 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.361 0.613 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.735 0.220 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.333 -0.032 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.955 0.204 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.356 -0.763 -0.753 1.00 0.00 H new ATOM 29 N VAL A 3 -5.367 4.155 -0.821 1.00 0.00 N ATOM 30 CA VAL A 3 -5.127 5.258 -1.752 1.00 0.00 C ATOM 31 C VAL A 3 -5.145 6.604 -1.039 1.00 0.00 C ATOM 32 O VAL A 3 -4.109 7.241 -0.880 1.00 0.00 O ATOM 33 CB VAL A 3 -6.159 5.281 -2.902 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.592 4.594 -4.131 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.470 4.629 -2.482 1.00 0.00 C ATOM 0 H VAL A 3 -6.048 3.470 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.137 5.088 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.369 6.322 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.329 4.617 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.689 5.112 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.350 3.559 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.175 4.661 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.287 3.592 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.888 5.167 -1.631 1.00 0.00 H new ATOM 45 N GLU A 4 -6.323 7.029 -0.605 1.00 0.00 N ATOM 46 CA GLU A 4 -6.472 8.306 0.096 1.00 0.00 C ATOM 47 C GLU A 4 -5.362 8.515 1.130 1.00 0.00 C ATOM 48 O GLU A 4 -5.022 9.649 1.470 1.00 0.00 O ATOM 49 CB GLU A 4 -7.837 8.375 0.782 1.00 0.00 C ATOM 50 CG GLU A 4 -9.003 8.154 -0.165 1.00 0.00 C ATOM 51 CD GLU A 4 -9.762 9.432 -0.466 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.790 10.326 0.406 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.330 9.539 -1.574 1.00 0.00 O ATOM 0 H GLU A 4 -7.193 6.511 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.396 9.101 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.875 7.626 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.946 9.349 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.633 7.728 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.686 7.424 0.270 1.00 0.00 H new ATOM 60 N GLN A 5 -4.809 7.414 1.633 1.00 0.00 N ATOM 61 CA GLN A 5 -3.748 7.472 2.634 1.00 0.00 C ATOM 62 C GLN A 5 -2.368 7.629 1.998 1.00 0.00 C ATOM 63 O GLN A 5 -1.606 8.522 2.364 1.00 0.00 O ATOM 64 CB GLN A 5 -3.770 6.205 3.484 1.00 0.00 C ATOM 65 CG GLN A 5 -2.852 6.268 4.693 1.00 0.00 C ATOM 66 CD GLN A 5 -3.596 6.596 5.973 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.671 6.056 6.235 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.025 7.485 6.777 1.00 0.00 N ATOM 0 H GLN A 5 -5.079 6.468 1.362 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.933 8.348 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.790 6.022 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.482 5.356 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.343 5.311 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.082 7.020 4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.133 7.907 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.478 7.746 7.653 1.00 0.00 H new ATOM 77 N CYS A 6 -2.042 6.740 1.066 1.00 0.00 N ATOM 78 CA CYS A 6 -0.741 6.771 0.404 1.00 0.00 C ATOM 79 C CYS A 6 -0.724 7.768 -0.751 1.00 0.00 C ATOM 80 O CYS A 6 0.277 8.440 -0.986 1.00 0.00 O ATOM 81 CB CYS A 6 -0.378 5.374 -0.111 1.00 0.00 C ATOM 82 SG CYS A 6 0.430 4.313 1.130 1.00 0.00 S ATOM 0 H CYS A 6 -2.658 5.990 0.752 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.002 7.092 1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.285 4.880 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.282 5.476 -0.972 1.00 0.00 H new ATOM 87 N CYS A 7 -1.830 7.845 -1.474 1.00 0.00 N ATOM 88 CA CYS A 7 -1.944 8.745 -2.622 1.00 0.00 C ATOM 89 C CYS A 7 -1.620 10.197 -2.255 1.00 0.00 C ATOM 90 O CYS A 7 -1.283 10.998 -3.127 1.00 0.00 O ATOM 91 CB CYS A 7 -3.354 8.662 -3.220 1.00 0.00 C ATOM 92 SG CYS A 7 -3.739 9.966 -4.439 1.00 0.00 S ATOM 0 H CYS A 7 -2.668 7.294 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.211 8.421 -3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.476 7.689 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.082 8.713 -2.410 1.00 0.00 H new ATOM 97 N THR A 8 -1.743 10.543 -0.977 1.00 0.00 N ATOM 98 CA THR A 8 -1.481 11.913 -0.538 1.00 0.00 C ATOM 99 C THR A 8 0.013 12.190 -0.374 1.00 0.00 C ATOM 100 O THR A 8 0.487 13.274 -0.718 1.00 0.00 O ATOM 101 CB THR A 8 -2.214 12.207 0.773 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.768 13.430 1.331 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.029 11.132 1.819 1.00 0.00 C ATOM 0 H THR A 8 -2.019 9.903 -0.233 1.00 0.00 H new ATOM 0 HA THR A 8 -1.856 12.575 -1.318 1.00 0.00 H new ATOM 0 HB THR A 8 -3.270 12.253 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.248 13.602 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.575 11.405 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.409 10.184 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.969 11.030 2.053 1.00 0.00 H new ATOM 111 N SER A 9 0.753 11.223 0.157 1.00 0.00 N ATOM 112 CA SER A 9 2.189 11.394 0.365 1.00 0.00 C ATOM 113 C SER A 9 2.984 10.269 -0.289 1.00 0.00 C ATOM 114 O SER A 9 2.435 9.450 -1.023 1.00 0.00 O ATOM 115 CB SER A 9 2.501 11.458 1.862 1.00 0.00 C ATOM 116 OG SER A 9 2.832 12.778 2.258 1.00 0.00 O ATOM 0 H SER A 9 0.387 10.317 0.450 1.00 0.00 H new ATOM 0 HA SER A 9 2.486 12.332 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.639 11.109 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.329 10.787 2.093 1.00 0.00 H new ATOM 0 HG SER A 9 3.025 12.793 3.219 1.00 0.00 H new ATOM 122 N ILE A 10 4.285 10.234 -0.015 1.00 0.00 N ATOM 123 CA ILE A 10 5.155 9.206 -0.577 1.00 0.00 C ATOM 124 C ILE A 10 5.262 8.028 0.376 1.00 0.00 C ATOM 125 O ILE A 10 5.889 8.124 1.431 1.00 0.00 O ATOM 126 CB ILE A 10 6.575 9.742 -0.882 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.561 11.265 -1.038 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.125 9.085 -2.143 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.485 11.765 -1.977 1.00 0.00 C ATOM 0 H ILE A 10 4.759 10.904 0.591 1.00 0.00 H new ATOM 0 HA ILE A 10 4.704 8.889 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 10 7.224 9.492 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.418 11.721 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.534 11.594 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.124 9.470 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.174 8.006 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.470 9.309 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.533 12.852 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.639 11.337 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.506 11.467 -1.601 1.00 0.00 H new ATOM 141 N CYS A 11 4.632 6.919 0.011 1.00 0.00 N ATOM 142 CA CYS A 11 4.649 5.734 0.852 1.00 0.00 C ATOM 143 C CYS A 11 5.857 4.852 0.563 1.00 0.00 C ATOM 144 O CYS A 11 6.377 4.835 -0.553 1.00 0.00 O ATOM 145 CB CYS A 11 3.363 4.925 0.665 1.00 0.00 C ATOM 146 SG CYS A 11 2.002 5.429 1.765 1.00 0.00 S ATOM 0 H CYS A 11 4.106 6.817 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 11 4.717 6.073 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.034 5.020 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.582 3.871 0.835 1.00 0.00 H new ATOM 151 N SER A 12 6.286 4.111 1.578 1.00 0.00 N ATOM 152 CA SER A 12 7.421 3.209 1.447 1.00 0.00 C ATOM 153 C SER A 12 6.934 1.767 1.348 1.00 0.00 C ATOM 154 O SER A 12 6.058 1.351 2.098 1.00 0.00 O ATOM 155 CB SER A 12 8.367 3.364 2.641 1.00 0.00 C ATOM 156 OG SER A 12 7.709 3.977 3.737 1.00 0.00 O ATOM 0 H SER A 12 5.861 4.118 2.505 1.00 0.00 H new ATOM 0 HA SER A 12 7.965 3.463 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.744 2.386 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.230 3.963 2.350 1.00 0.00 H new ATOM 0 HG SER A 12 8.334 4.063 4.487 1.00 0.00 H new ATOM 162 N LEU A 13 7.500 1.013 0.416 1.00 0.00 N ATOM 163 CA LEU A 13 7.112 -0.383 0.215 1.00 0.00 C ATOM 164 C LEU A 13 6.988 -1.123 1.531 1.00 0.00 C ATOM 165 O LEU A 13 6.137 -1.998 1.691 1.00 0.00 O ATOM 166 CB LEU A 13 8.128 -1.081 -0.675 1.00 0.00 C ATOM 167 CG LEU A 13 7.911 -0.839 -2.159 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.680 0.642 -2.417 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.088 -1.356 -2.967 1.00 0.00 C ATOM 0 H LEU A 13 8.231 1.342 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 13 6.135 -0.391 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.128 -0.743 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.091 -2.153 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 13 7.024 -1.387 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.525 0.806 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.799 0.974 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.550 1.209 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.911 -1.172 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.997 -0.841 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.202 -2.427 -2.799 1.00 0.00 H new ATOM 181 N TYR A 14 7.830 -0.750 2.476 1.00 0.00 N ATOM 182 CA TYR A 14 7.806 -1.364 3.794 1.00 0.00 C ATOM 183 C TYR A 14 6.410 -1.235 4.383 1.00 0.00 C ATOM 184 O TYR A 14 5.916 -2.133 5.061 1.00 0.00 O ATOM 185 CB TYR A 14 8.831 -0.705 4.715 1.00 0.00 C ATOM 186 CG TYR A 14 8.855 -1.290 6.109 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.788 -2.662 6.307 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.943 -0.468 7.226 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.807 -3.200 7.581 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.964 -0.998 8.501 1.00 0.00 C ATOM 191 CZ TYR A 14 8.895 -2.365 8.674 1.00 0.00 C ATOM 192 OH TYR A 14 8.914 -2.896 9.943 1.00 0.00 O ATOM 0 H TYR A 14 8.539 -0.026 2.358 1.00 0.00 H new ATOM 0 HA TYR A 14 8.065 -2.419 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.822 -0.803 4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.615 0.361 4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.720 -3.320 5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.996 0.603 7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.753 -4.270 7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.034 -0.345 9.359 1.00 0.00 H new ATOM 0 HH TYR A 14 8.980 -2.172 10.600 1.00 0.00 H new ATOM 202 N GLN A 15 5.767 -0.113 4.082 1.00 0.00 N ATOM 203 CA GLN A 15 4.413 0.138 4.552 1.00 0.00 C ATOM 204 C GLN A 15 3.417 -0.521 3.614 1.00 0.00 C ATOM 205 O GLN A 15 2.346 -0.962 4.031 1.00 0.00 O ATOM 206 CB GLN A 15 4.145 1.641 4.640 1.00 0.00 C ATOM 207 CG GLN A 15 4.897 2.325 5.771 1.00 0.00 C ATOM 208 CD GLN A 15 4.105 2.351 7.064 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.504 1.747 8.061 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.978 3.052 7.053 1.00 0.00 N ATOM 0 H GLN A 15 6.163 0.636 3.515 1.00 0.00 H new ATOM 0 HA GLN A 15 4.301 -0.287 5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.423 2.108 3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.076 1.804 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.842 1.809 5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.139 3.346 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.687 3.536 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.403 3.106 7.894 1.00 0.00 H new ATOM 219 N LEU A 16 3.792 -0.602 2.343 1.00 0.00 N ATOM 220 CA LEU A 16 2.950 -1.227 1.341 1.00 0.00 C ATOM 221 C LEU A 16 2.844 -2.725 1.602 1.00 0.00 C ATOM 222 O LEU A 16 1.899 -3.376 1.161 1.00 0.00 O ATOM 223 CB LEU A 16 3.509 -0.972 -0.061 1.00 0.00 C ATOM 224 CG LEU A 16 2.454 -0.698 -1.134 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.760 0.629 -0.873 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.084 -0.707 -2.518 1.00 0.00 C ATOM 0 H LEU A 16 4.676 -0.241 1.985 1.00 0.00 H new ATOM 0 HA LEU A 16 1.954 -0.789 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.190 -0.122 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.099 -1.837 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 16 1.707 -1.491 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.013 0.807 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.273 0.600 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.496 1.433 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.318 -0.510 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.852 0.064 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.534 -1.682 -2.706 1.00 0.00 H new ATOM 238 N GLU A 17 3.813 -3.270 2.340 1.00 0.00 N ATOM 239 CA GLU A 17 3.803 -4.690 2.665 1.00 0.00 C ATOM 240 C GLU A 17 2.704 -4.994 3.681 1.00 0.00 C ATOM 241 O GLU A 17 2.320 -6.147 3.871 1.00 0.00 O ATOM 242 CB GLU A 17 5.169 -5.131 3.203 1.00 0.00 C ATOM 243 CG GLU A 17 5.415 -4.757 4.657 1.00 0.00 C ATOM 244 CD GLU A 17 5.329 -5.949 5.590 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.282 -6.632 5.586 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.307 -6.200 6.324 1.00 0.00 O ATOM 0 H GLU A 17 4.606 -2.752 2.719 1.00 0.00 H new ATOM 0 HA GLU A 17 3.598 -5.251 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.257 -6.212 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.951 -4.686 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.400 -4.299 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.686 -4.007 4.964 1.00 0.00 H new ATOM 253 N ASN A 18 2.195 -3.943 4.326 1.00 0.00 N ATOM 254 CA ASN A 18 1.133 -4.093 5.315 1.00 0.00 C ATOM 255 C ASN A 18 -0.221 -4.333 4.644 1.00 0.00 C ATOM 256 O ASN A 18 -1.233 -4.514 5.322 1.00 0.00 O ATOM 257 CB ASN A 18 1.059 -2.850 6.204 1.00 0.00 C ATOM 258 CG ASN A 18 0.274 -3.097 7.478 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.664 -2.364 7.794 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.654 -4.132 8.217 1.00 0.00 N ATOM 0 H ASN A 18 2.502 -2.981 4.180 1.00 0.00 H new ATOM 0 HA ASN A 18 1.368 -4.962 5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.069 -2.528 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.596 -2.035 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.163 -4.347 9.085 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.437 -4.713 7.917 1.00 0.00 H new ATOM 267 N TYR A 19 -0.233 -4.344 3.312 1.00 0.00 N ATOM 268 CA TYR A 19 -1.461 -4.573 2.560 1.00 0.00 C ATOM 269 C TYR A 19 -1.544 -6.030 2.114 1.00 0.00 C ATOM 270 O TYR A 19 -2.628 -6.545 1.832 1.00 0.00 O ATOM 271 CB TYR A 19 -1.518 -3.657 1.332 1.00 0.00 C ATOM 272 CG TYR A 19 -1.615 -2.178 1.649 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.172 -1.725 2.840 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.149 -1.231 0.743 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.259 -0.373 3.118 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.231 0.122 1.016 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.787 0.545 2.204 1.00 0.00 C ATOM 278 OH TYR A 19 -1.870 1.889 2.480 1.00 0.00 O ATOM 0 H TYR A 19 0.594 -4.197 2.734 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.306 -4.348 3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.627 -3.827 0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.376 -3.941 0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.543 -2.440 3.559 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.715 -1.558 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.695 -0.038 4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.861 0.843 0.302 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.160 2.366 2.001 1.00 0.00 H new ATOM 288 N CYS A 20 -0.389 -6.688 2.047 1.00 0.00 N ATOM 289 CA CYS A 20 -0.322 -8.084 1.632 1.00 0.00 C ATOM 290 C CYS A 20 -1.024 -8.987 2.639 1.00 0.00 C ATOM 291 O CYS A 20 -0.536 -9.194 3.749 1.00 0.00 O ATOM 292 CB CYS A 20 1.137 -8.523 1.468 1.00 0.00 C ATOM 293 SG CYS A 20 2.205 -7.286 0.665 1.00 0.00 S ATOM 0 H CYS A 20 0.515 -6.274 2.276 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.832 -8.174 0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.547 -8.757 2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.164 -9.443 0.884 1.00 0.00 H new ATOM 298 N ASN A 21 -2.172 -9.525 2.242 1.00 0.00 N ATOM 299 CA ASN A 21 -2.941 -10.410 3.112 1.00 0.00 C ATOM 300 C ASN A 21 -2.859 -11.854 2.628 1.00 0.00 C ATOM 301 O ASN A 21 -1.943 -12.221 1.892 1.00 0.00 O ATOM 302 CB ASN A 21 -4.403 -9.962 3.173 1.00 0.00 C ATOM 303 CG ASN A 21 -4.959 -9.603 1.811 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.405 -8.762 1.105 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.062 -10.240 1.434 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.721 -12.670 3.041 1.00 0.00 O ATOM 0 H ASN A 21 -2.591 -9.365 1.326 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.512 -10.355 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.006 -10.759 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.488 -9.100 3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.482 -10.039 0.527 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.488 -10.931 2.052 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.237 3.799 -2.460 1.00 0.00 N ATOM 315 CA PHE B 1 12.408 3.625 -3.314 1.00 0.00 C ATOM 316 C PHE B 1 12.775 4.948 -3.988 1.00 0.00 C ATOM 317 O PHE B 1 13.928 5.172 -4.355 1.00 0.00 O ATOM 318 CB PHE B 1 12.169 2.532 -4.363 1.00 0.00 C ATOM 319 CG PHE B 1 10.818 2.589 -5.021 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.455 3.681 -5.788 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.919 1.545 -4.879 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.219 3.733 -6.403 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.680 1.591 -5.490 1.00 0.00 C ATOM 324 CZ PHE B 1 8.330 2.687 -6.254 1.00 0.00 C ATOM 0 H1 PHE B 1 11.224 3.055 -1.733 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.278 4.731 -2.001 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.374 3.735 -3.037 1.00 0.00 H new ATOM 0 HA PHE B 1 13.242 3.310 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.938 2.609 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.288 1.558 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.146 4.503 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.189 0.685 -4.284 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.948 4.591 -7.000 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.987 0.771 -5.370 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.363 2.726 -6.734 1.00 0.00 H new ATOM 336 N VAL B 2 11.784 5.828 -4.127 1.00 0.00 N ATOM 337 CA VAL B 2 11.986 7.141 -4.732 1.00 0.00 C ATOM 338 C VAL B 2 10.893 8.100 -4.282 1.00 0.00 C ATOM 339 O VAL B 2 10.086 7.767 -3.414 1.00 0.00 O ATOM 340 CB VAL B 2 11.987 7.080 -6.274 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.079 6.152 -6.771 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.626 6.650 -6.805 1.00 0.00 C ATOM 0 H VAL B 2 10.826 5.651 -3.825 1.00 0.00 H new ATOM 0 HA VAL B 2 12.963 7.494 -4.402 1.00 0.00 H new ATOM 0 HB VAL B 2 12.191 8.082 -6.652 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.063 6.122 -7.860 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.049 6.517 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.911 5.149 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.655 6.615 -7.894 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.380 5.662 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.868 7.365 -6.485 1.00 0.00 H new ATOM 352 N ASN B 3 10.856 9.284 -4.881 1.00 0.00 N ATOM 353 CA ASN B 3 9.839 10.266 -4.538 1.00 0.00 C ATOM 354 C ASN B 3 8.512 9.890 -5.187 1.00 0.00 C ATOM 355 O ASN B 3 7.978 10.628 -6.017 1.00 0.00 O ATOM 356 CB ASN B 3 10.272 11.665 -4.982 1.00 0.00 C ATOM 357 CG ASN B 3 9.885 12.735 -3.981 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.724 13.235 -3.231 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.606 13.094 -3.963 1.00 0.00 N ATOM 0 H ASN B 3 11.513 9.584 -5.601 1.00 0.00 H new ATOM 0 HA ASN B 3 9.712 10.275 -3.455 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.352 11.679 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.819 11.893 -5.947 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.286 13.810 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.944 12.654 -4.602 1.00 0.00 H new ATOM 366 N GLN B 4 7.995 8.722 -4.815 1.00 0.00 N ATOM 367 CA GLN B 4 6.746 8.223 -5.367 1.00 0.00 C ATOM 368 C GLN B 4 5.534 8.936 -4.765 1.00 0.00 C ATOM 369 O GLN B 4 5.659 10.017 -4.192 1.00 0.00 O ATOM 370 CB GLN B 4 6.658 6.708 -5.146 1.00 0.00 C ATOM 371 CG GLN B 4 6.704 6.293 -3.683 1.00 0.00 C ATOM 372 CD GLN B 4 7.096 4.839 -3.494 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.635 3.976 -4.393 1.00 0.00 O flip ATOM 374 NE2 GLN B 4 7.808 4.494 -2.551 1.00 0.00 N flip ATOM 0 H GLN B 4 8.427 8.103 -4.129 1.00 0.00 H new ATOM 0 HA GLN B 4 6.735 8.431 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.733 6.340 -5.589 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.479 6.225 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.414 6.927 -3.153 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.726 6.462 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.141 5.189 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.065 3.513 -2.438 1.00 0.00 H new ATOM 383 N ALA B 5 4.358 8.329 -4.910 1.00 0.00 N ATOM 384 CA ALA B 5 3.123 8.903 -4.387 1.00 0.00 C ATOM 385 C ALA B 5 2.150 7.807 -3.990 1.00 0.00 C ATOM 386 O ALA B 5 1.594 7.816 -2.896 1.00 0.00 O ATOM 387 CB ALA B 5 2.480 9.805 -5.424 1.00 0.00 C ATOM 0 H ALA B 5 4.236 7.436 -5.388 1.00 0.00 H new ATOM 0 HA ALA B 5 3.370 9.492 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.560 10.226 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA B 5 3.166 10.612 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA B 5 2.252 9.226 -6.319 1.00 0.00 H new ATOM 393 N LEU B 6 1.960 6.865 -4.904 1.00 0.00 N ATOM 394 CA LEU B 6 1.065 5.734 -4.695 1.00 0.00 C ATOM 395 C LEU B 6 -0.397 6.143 -4.768 1.00 0.00 C ATOM 396 O LEU B 6 -1.088 6.230 -3.754 1.00 0.00 O ATOM 397 CB LEU B 6 1.357 5.038 -3.365 1.00 0.00 C ATOM 398 CG LEU B 6 2.458 3.983 -3.438 1.00 0.00 C ATOM 399 CD1 LEU B 6 1.936 2.728 -4.112 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.664 4.526 -4.189 1.00 0.00 C ATOM 0 H LEU B 6 2.423 6.863 -5.813 1.00 0.00 H new ATOM 0 HA LEU B 6 1.252 5.029 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.639 5.790 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.442 4.567 -3.006 1.00 0.00 H new ATOM 0 HG LEU B 6 2.768 3.731 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.730 1.983 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.098 2.330 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.605 2.968 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.440 3.762 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.369 4.801 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.049 5.405 -3.672 1.00 0.00 H new ATOM 412 N CYS B 7 -0.860 6.375 -5.988 1.00 0.00 N ATOM 413 CA CYS B 7 -2.246 6.756 -6.225 1.00 0.00 C ATOM 414 C CYS B 7 -2.828 5.960 -7.388 1.00 0.00 C ATOM 415 O CYS B 7 -2.157 5.729 -8.393 1.00 0.00 O ATOM 416 CB CYS B 7 -2.349 8.252 -6.516 1.00 0.00 C ATOM 417 SG CYS B 7 -3.996 8.955 -6.179 1.00 0.00 S ATOM 0 H CYS B 7 -0.293 6.306 -6.833 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.818 6.533 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.609 8.781 -5.916 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.096 8.428 -7.562 1.00 0.00 H new ATOM 422 N GLY B 8 -4.079 5.540 -7.241 1.00 0.00 N ATOM 423 CA GLY B 8 -4.730 4.772 -8.287 1.00 0.00 C ATOM 424 C GLY B 8 -4.150 3.377 -8.430 1.00 0.00 C ATOM 425 O GLY B 8 -4.270 2.552 -7.523 1.00 0.00 O ATOM 0 H GLY B 8 -4.654 5.717 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.796 4.698 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.634 5.301 -9.235 1.00 0.00 H new ATOM 429 N SER B 9 -3.524 3.111 -9.572 1.00 0.00 N ATOM 430 CA SER B 9 -2.926 1.804 -9.833 1.00 0.00 C ATOM 431 C SER B 9 -1.500 1.729 -9.291 1.00 0.00 C ATOM 432 O SER B 9 -0.954 0.640 -9.117 1.00 0.00 O ATOM 433 CB SER B 9 -2.929 1.512 -11.335 1.00 0.00 C ATOM 434 OG SER B 9 -2.424 0.216 -11.603 1.00 0.00 O ATOM 0 H SER B 9 -3.417 3.782 -10.332 1.00 0.00 H new ATOM 0 HA SER B 9 -3.525 1.053 -9.319 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.944 1.598 -11.723 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.325 2.256 -11.855 1.00 0.00 H new ATOM 0 HG SER B 9 -2.438 0.053 -12.569 1.00 0.00 H new ATOM 440 N ASP B 10 -0.899 2.888 -9.021 1.00 0.00 N ATOM 441 CA ASP B 10 0.461 2.937 -8.492 1.00 0.00 C ATOM 442 C ASP B 10 0.612 1.980 -7.317 1.00 0.00 C ATOM 443 O ASP B 10 1.685 1.421 -7.089 1.00 0.00 O ATOM 444 CB ASP B 10 0.815 4.356 -8.053 1.00 0.00 C ATOM 445 CG ASP B 10 0.596 5.381 -9.150 1.00 0.00 C ATOM 446 OD1 ASP B 10 -0.318 5.181 -9.978 1.00 0.00 O ATOM 447 OD2 ASP B 10 1.338 6.385 -9.180 1.00 0.00 O ATOM 0 H ASP B 10 -1.332 3.801 -9.160 1.00 0.00 H new ATOM 0 HA ASP B 10 1.144 2.633 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.212 4.624 -7.185 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.858 4.385 -7.738 1.00 0.00 H new ATOM 452 N LEU B 11 -0.477 1.787 -6.582 1.00 0.00 N ATOM 453 CA LEU B 11 -0.472 0.888 -5.440 1.00 0.00 C ATOM 454 C LEU B 11 -0.346 -0.547 -5.898 1.00 0.00 C ATOM 455 O LEU B 11 0.710 -1.146 -5.762 1.00 0.00 O ATOM 456 CB LEU B 11 -1.738 1.064 -4.615 1.00 0.00 C ATOM 457 CG LEU B 11 -1.869 2.420 -3.937 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.325 2.732 -3.687 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.083 2.445 -2.637 1.00 0.00 C ATOM 0 H LEU B 11 -1.373 2.242 -6.758 1.00 0.00 H new ATOM 0 HA LEU B 11 0.387 1.134 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.602 0.911 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.770 0.286 -3.852 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.456 3.184 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.411 3.704 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.861 2.752 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.756 1.966 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.189 3.423 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.465 1.676 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.030 2.254 -2.845 1.00 0.00 H new ATOM 471 N VAL B 12 -1.425 -1.087 -6.456 1.00 0.00 N ATOM 472 CA VAL B 12 -1.427 -2.457 -6.948 1.00 0.00 C ATOM 473 C VAL B 12 -0.115 -2.789 -7.637 1.00 0.00 C ATOM 474 O VAL B 12 0.475 -3.843 -7.402 1.00 0.00 O ATOM 475 CB VAL B 12 -2.581 -2.686 -7.935 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.907 -2.790 -7.201 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.630 -1.579 -8.972 1.00 0.00 C ATOM 0 H VAL B 12 -2.310 -0.594 -6.578 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.557 -3.110 -6.085 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.402 -3.630 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.709 -2.952 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.872 -3.626 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.093 -1.867 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.455 -1.762 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.778 -0.621 -8.474 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.692 -1.558 -9.527 1.00 0.00 H new ATOM 487 N GLU B 13 0.350 -1.869 -8.469 1.00 0.00 N ATOM 488 CA GLU B 13 1.607 -2.053 -9.175 1.00 0.00 C ATOM 489 C GLU B 13 2.739 -2.250 -8.180 1.00 0.00 C ATOM 490 O GLU B 13 3.510 -3.207 -8.274 1.00 0.00 O ATOM 491 CB GLU B 13 1.898 -0.849 -10.070 1.00 0.00 C ATOM 492 CG GLU B 13 1.349 -0.994 -11.480 1.00 0.00 C ATOM 493 CD GLU B 13 2.441 -1.190 -12.514 1.00 0.00 C ATOM 494 OE1 GLU B 13 3.561 -1.583 -12.128 1.00 0.00 O ATOM 495 OE2 GLU B 13 2.174 -0.952 -13.711 1.00 0.00 O ATOM 0 H GLU B 13 -0.124 -0.989 -8.671 1.00 0.00 H new ATOM 0 HA GLU B 13 1.527 -2.941 -9.802 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.472 0.044 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.976 -0.698 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.665 -1.842 -11.514 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.769 -0.106 -11.733 1.00 0.00 H new ATOM 502 N ALA B 14 2.815 -1.350 -7.210 1.00 0.00 N ATOM 503 CA ALA B 14 3.842 -1.431 -6.183 1.00 0.00 C ATOM 504 C ALA B 14 3.452 -2.434 -5.105 1.00 0.00 C ATOM 505 O ALA B 14 4.268 -2.799 -4.260 1.00 0.00 O ATOM 506 CB ALA B 14 4.085 -0.060 -5.569 1.00 0.00 C ATOM 0 H ALA B 14 2.180 -0.558 -7.113 1.00 0.00 H new ATOM 0 HA ALA B 14 4.765 -1.774 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.856 -0.136 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.412 0.633 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.162 0.306 -5.120 1.00 0.00 H new ATOM 512 N LEU B 15 2.191 -2.860 -5.131 1.00 0.00 N ATOM 513 CA LEU B 15 1.677 -3.800 -4.154 1.00 0.00 C ATOM 514 C LEU B 15 1.879 -5.249 -4.588 1.00 0.00 C ATOM 515 O LEU B 15 2.589 -6.007 -3.929 1.00 0.00 O ATOM 516 CB LEU B 15 0.195 -3.539 -3.900 1.00 0.00 C ATOM 517 CG LEU B 15 -0.182 -3.265 -2.445 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.657 -3.527 -2.232 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.646 -4.118 -1.493 1.00 0.00 C ATOM 0 H LEU B 15 1.507 -2.563 -5.826 1.00 0.00 H new ATOM 0 HA LEU B 15 2.240 -3.649 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.115 -2.687 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.373 -4.401 -4.249 1.00 0.00 H new ATOM 0 HG LEU B 15 0.030 -2.217 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.915 -3.329 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.240 -2.874 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.880 -4.567 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.356 -3.902 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.472 -5.173 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.704 -3.891 -1.627 1.00 0.00 H new ATOM 531 N TYR B 16 1.243 -5.653 -5.687 1.00 0.00 N ATOM 532 CA TYR B 16 1.382 -7.023 -6.141 1.00 0.00 C ATOM 533 C TYR B 16 2.848 -7.381 -6.356 1.00 0.00 C ATOM 534 O TYR B 16 3.216 -8.555 -6.327 1.00 0.00 O ATOM 535 CB TYR B 16 0.555 -7.302 -7.400 1.00 0.00 C ATOM 536 CG TYR B 16 0.787 -6.386 -8.578 1.00 0.00 C ATOM 537 CD1 TYR B 16 2.045 -6.229 -9.137 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.277 -5.706 -9.155 1.00 0.00 C ATOM 539 CE1 TYR B 16 2.237 -5.419 -10.239 1.00 0.00 C ATOM 540 CE2 TYR B 16 -0.094 -4.891 -10.252 1.00 0.00 C ATOM 541 CZ TYR B 16 1.166 -4.753 -10.793 1.00 0.00 C ATOM 542 OH TYR B 16 1.353 -3.946 -11.893 1.00 0.00 O ATOM 0 H TYR B 16 0.642 -5.063 -6.263 1.00 0.00 H new ATOM 0 HA TYR B 16 0.986 -7.663 -5.353 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.755 -8.325 -7.719 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.500 -7.252 -7.132 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.888 -6.748 -8.705 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.266 -5.817 -8.737 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.223 -5.308 -10.665 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.932 -4.365 -10.684 1.00 0.00 H new ATOM 0 HH TYR B 16 0.537 -3.939 -12.436 1.00 0.00 H new ATOM 552 N LEU B 17 3.688 -6.367 -6.554 1.00 0.00 N ATOM 553 CA LEU B 17 5.110 -6.601 -6.750 1.00 0.00 C ATOM 554 C LEU B 17 5.809 -6.836 -5.410 1.00 0.00 C ATOM 555 O LEU B 17 6.717 -7.661 -5.309 1.00 0.00 O ATOM 556 CB LEU B 17 5.750 -5.426 -7.492 1.00 0.00 C ATOM 557 CG LEU B 17 6.330 -5.767 -8.869 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.346 -6.603 -9.683 1.00 0.00 C ATOM 559 CD2 LEU B 17 6.698 -4.494 -9.617 1.00 0.00 C ATOM 0 H LEU B 17 3.409 -5.386 -6.582 1.00 0.00 H new ATOM 0 HA LEU B 17 5.228 -7.498 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.002 -4.642 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.546 -5.014 -6.871 1.00 0.00 H new ATOM 0 HG LEU B 17 7.234 -6.359 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.781 -6.832 -10.656 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.132 -7.531 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.421 -6.043 -9.822 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.109 -4.751 -10.593 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.808 -3.879 -9.749 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.442 -3.938 -9.046 1.00 0.00 H new ATOM 571 N VAL B 18 5.373 -6.112 -4.380 1.00 0.00 N ATOM 572 CA VAL B 18 5.954 -6.253 -3.045 1.00 0.00 C ATOM 573 C VAL B 18 5.486 -7.543 -2.386 1.00 0.00 C ATOM 574 O VAL B 18 6.262 -8.238 -1.731 1.00 0.00 O ATOM 575 CB VAL B 18 5.587 -5.072 -2.123 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.356 -3.826 -2.518 1.00 0.00 C ATOM 577 CG2 VAL B 18 4.096 -4.807 -2.139 1.00 0.00 C ATOM 0 H VAL B 18 4.622 -5.424 -4.443 1.00 0.00 H new ATOM 0 HA VAL B 18 7.035 -6.270 -3.180 1.00 0.00 H new ATOM 0 HB VAL B 18 5.868 -5.343 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.083 -3.005 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.426 -4.018 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.113 -3.559 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.868 -3.969 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.780 -4.566 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.565 -5.694 -1.795 1.00 0.00 H new ATOM 587 N CYS B 19 4.210 -7.851 -2.567 1.00 0.00 N ATOM 588 CA CYS B 19 3.622 -9.052 -1.996 1.00 0.00 C ATOM 589 C CYS B 19 3.955 -10.271 -2.840 1.00 0.00 C ATOM 590 O CYS B 19 4.475 -11.267 -2.338 1.00 0.00 O ATOM 591 CB CYS B 19 2.108 -8.900 -1.893 1.00 0.00 C ATOM 592 SG CYS B 19 1.558 -7.287 -1.257 1.00 0.00 S ATOM 0 H CYS B 19 3.559 -7.281 -3.108 1.00 0.00 H new ATOM 0 HA CYS B 19 4.040 -9.192 -0.999 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.671 -9.056 -2.879 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.719 -9.685 -1.244 1.00 0.00 H new ATOM 597 N GLY B 20 3.645 -10.183 -4.125 1.00 0.00 N ATOM 598 CA GLY B 20 3.911 -11.282 -5.026 1.00 0.00 C ATOM 599 C GLY B 20 2.806 -12.316 -5.007 1.00 0.00 C ATOM 600 O GLY B 20 1.786 -12.159 -5.676 1.00 0.00 O ATOM 0 H GLY B 20 3.213 -9.367 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.030 -10.898 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.854 -11.755 -4.751 1.00 0.00 H new ATOM 604 N GLU B 21 3.010 -13.374 -4.233 1.00 0.00 N ATOM 605 CA GLU B 21 2.023 -14.437 -4.120 1.00 0.00 C ATOM 606 C GLU B 21 1.264 -14.342 -2.799 1.00 0.00 C ATOM 607 O GLU B 21 0.526 -15.257 -2.432 1.00 0.00 O ATOM 608 CB GLU B 21 2.702 -15.801 -4.234 1.00 0.00 C ATOM 609 CG GLU B 21 2.856 -16.284 -5.667 1.00 0.00 C ATOM 610 CD GLU B 21 4.307 -16.413 -6.088 1.00 0.00 C ATOM 611 OE1 GLU B 21 4.968 -17.379 -5.652 1.00 0.00 O ATOM 612 OE2 GLU B 21 4.780 -15.550 -6.856 1.00 0.00 O ATOM 0 H GLU B 21 3.851 -13.518 -3.674 1.00 0.00 H new ATOM 0 HA GLU B 21 1.308 -14.323 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.686 -15.748 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.123 -16.534 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.363 -17.250 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.348 -15.590 -6.337 1.00 0.00 H new ATOM 619 N ARG B 22 1.447 -13.234 -2.084 1.00 0.00 N ATOM 620 CA ARG B 22 0.776 -13.034 -0.806 1.00 0.00 C ATOM 621 C ARG B 22 -0.714 -12.781 -1.006 1.00 0.00 C ATOM 622 O ARG B 22 -1.549 -13.327 -0.285 1.00 0.00 O ATOM 623 CB ARG B 22 1.410 -11.864 -0.052 1.00 0.00 C ATOM 624 CG ARG B 22 1.859 -12.218 1.358 1.00 0.00 C ATOM 625 CD ARG B 22 2.975 -13.251 1.347 1.00 0.00 C ATOM 626 NE ARG B 22 4.250 -12.683 1.782 1.00 0.00 N ATOM 627 CZ ARG B 22 4.573 -12.475 3.056 1.00 0.00 C ATOM 628 NH1 ARG B 22 3.719 -12.785 4.024 1.00 0.00 N ATOM 629 NH2 ARG B 22 5.753 -11.956 3.364 1.00 0.00 N ATOM 0 H ARG B 22 2.053 -12.464 -2.369 1.00 0.00 H new ATOM 0 HA ARG B 22 0.893 -13.943 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.269 -11.501 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.693 -11.045 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.201 -11.318 1.869 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.011 -12.603 1.925 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.707 -14.082 1.999 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.083 -13.657 0.341 1.00 0.00 H new ATOM 0 HE ARG B 22 4.932 -12.431 1.067 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.810 -13.185 3.793 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.972 -12.623 4.999 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.413 -11.716 2.625 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.001 -11.796 4.341 1.00 0.00 H new ATOM 643 N GLY B 23 -1.037 -11.947 -1.986 1.00 0.00 N ATOM 644 CA GLY B 23 -2.427 -11.629 -2.263 1.00 0.00 C ATOM 645 C GLY B 23 -2.874 -10.362 -1.561 1.00 0.00 C ATOM 646 O GLY B 23 -3.621 -10.416 -0.584 1.00 0.00 O ATOM 0 H GLY B 23 -0.362 -11.484 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.565 -11.515 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.058 -12.460 -1.947 1.00 0.00 H new ATOM 650 N PHE B 24 -2.409 -9.220 -2.057 1.00 0.00 N ATOM 651 CA PHE B 24 -2.757 -7.931 -1.470 1.00 0.00 C ATOM 652 C PHE B 24 -4.267 -7.738 -1.409 1.00 0.00 C ATOM 653 O PHE B 24 -5.027 -8.506 -2.000 1.00 0.00 O ATOM 654 CB PHE B 24 -2.115 -6.793 -2.263 1.00 0.00 C ATOM 655 CG PHE B 24 -2.630 -6.669 -3.670 1.00 0.00 C ATOM 656 CD1 PHE B 24 -2.145 -7.489 -4.676 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.597 -5.727 -3.988 1.00 0.00 C ATOM 658 CE1 PHE B 24 -2.614 -7.373 -5.970 1.00 0.00 C ATOM 659 CE2 PHE B 24 -4.069 -5.607 -5.281 1.00 0.00 C ATOM 660 CZ PHE B 24 -3.577 -6.430 -6.273 1.00 0.00 C ATOM 0 H PHE B 24 -1.789 -9.161 -2.865 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.372 -7.916 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.289 -5.854 -1.738 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.036 -6.947 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.391 -8.228 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.986 -5.080 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.228 -8.019 -6.745 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.823 -4.870 -5.515 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.944 -6.337 -7.284 1.00 0.00 H new ATOM 670 N PHE B 25 -4.694 -6.711 -0.681 1.00 0.00 N ATOM 671 CA PHE B 25 -6.115 -6.420 -0.533 1.00 0.00 C ATOM 672 C PHE B 25 -6.520 -5.187 -1.340 1.00 0.00 C ATOM 673 O PHE B 25 -7.159 -5.308 -2.384 1.00 0.00 O ATOM 674 CB PHE B 25 -6.465 -6.221 0.944 1.00 0.00 C ATOM 675 CG PHE B 25 -7.772 -6.846 1.342 1.00 0.00 C ATOM 676 CD1 PHE B 25 -8.965 -6.386 0.810 1.00 0.00 C ATOM 677 CD2 PHE B 25 -7.806 -7.893 2.250 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.169 -6.958 1.174 1.00 0.00 C ATOM 679 CE2 PHE B 25 -9.008 -8.470 2.618 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.191 -8.001 2.079 1.00 0.00 C ATOM 0 H PHE B 25 -4.077 -6.068 -0.185 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.672 -7.273 -0.921 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.669 -6.642 1.557 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.502 -5.153 1.159 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.954 -5.570 0.102 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.884 -8.262 2.675 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.092 -6.590 0.751 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.022 -9.286 3.326 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.131 -8.449 2.365 1.00 0.00 H new ATOM 690 N TYR B 26 -6.156 -4.004 -0.846 1.00 0.00 N ATOM 691 CA TYR B 26 -6.497 -2.752 -1.521 1.00 0.00 C ATOM 692 C TYR B 26 -8.005 -2.652 -1.732 1.00 0.00 C ATOM 693 O TYR B 26 -8.578 -3.378 -2.543 1.00 0.00 O ATOM 694 CB TYR B 26 -5.777 -2.645 -2.867 1.00 0.00 C ATOM 695 CG TYR B 26 -6.101 -1.377 -3.630 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.524 -0.228 -2.969 1.00 0.00 C ATOM 697 CD2 TYR B 26 -5.981 -1.329 -5.012 1.00 0.00 C ATOM 698 CE1 TYR B 26 -6.818 0.927 -3.665 1.00 0.00 C ATOM 699 CE2 TYR B 26 -6.273 -0.176 -5.715 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.691 0.949 -5.038 1.00 0.00 C ATOM 701 OH TYR B 26 -6.983 2.098 -5.735 1.00 0.00 O ATOM 0 H TYR B 26 -5.626 -3.886 0.018 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.172 -1.929 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.701 -2.693 -2.699 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.042 -3.506 -3.481 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.624 -0.240 -1.894 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.654 -2.208 -5.547 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.146 1.810 -3.137 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.174 -0.157 -6.790 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.220 2.341 -6.300 1.00 0.00 H new ATOM 711 N THR B 27 -8.646 -1.760 -0.987 1.00 0.00 N ATOM 712 CA THR B 27 -10.090 -1.589 -1.088 1.00 0.00 C ATOM 713 C THR B 27 -10.457 -0.206 -1.613 1.00 0.00 C ATOM 714 O THR B 27 -9.736 0.768 -1.396 1.00 0.00 O ATOM 715 CB THR B 27 -10.741 -1.820 0.276 1.00 0.00 C ATOM 716 OG1 THR B 27 -10.671 -0.650 1.071 1.00 0.00 O ATOM 717 CG2 THR B 27 -10.097 -2.944 1.058 1.00 0.00 C ATOM 0 H THR B 27 -8.192 -1.147 -0.310 1.00 0.00 H new ATOM 0 HA THR B 27 -10.464 -2.326 -1.799 1.00 0.00 H new ATOM 0 HB THR B 27 -11.775 -2.089 0.062 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.094 -0.818 1.939 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.604 -3.058 2.016 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.177 -3.873 0.493 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.046 -2.712 1.229 1.00 0.00 H new ATOM 725 N LYS B 28 -11.590 -0.131 -2.303 1.00 0.00 N ATOM 726 CA LYS B 28 -12.075 1.125 -2.862 1.00 0.00 C ATOM 727 C LYS B 28 -12.817 1.931 -1.795 1.00 0.00 C ATOM 728 O LYS B 28 -12.897 1.513 -0.640 1.00 0.00 O ATOM 729 CB LYS B 28 -12.995 0.841 -4.054 1.00 0.00 C ATOM 730 CG LYS B 28 -12.421 1.293 -5.388 1.00 0.00 C ATOM 731 CD LYS B 28 -13.521 1.687 -6.362 1.00 0.00 C ATOM 732 CE LYS B 28 -12.967 2.466 -7.545 1.00 0.00 C ATOM 733 NZ LYS B 28 -13.281 1.802 -8.840 1.00 0.00 N ATOM 0 H LYS B 28 -12.193 -0.932 -2.489 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.224 1.713 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.197 -0.229 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.951 1.340 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.753 2.140 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.822 0.490 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.029 0.791 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.267 2.291 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.382 3.474 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.887 2.566 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.887 2.363 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.863 0.850 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.312 1.729 -8.952 1.00 0.00 H new ATOM 747 N PRO B 29 -13.366 3.107 -2.160 1.00 0.00 N ATOM 748 CA PRO B 29 -14.095 3.972 -1.218 1.00 0.00 C ATOM 749 C PRO B 29 -15.387 3.357 -0.692 1.00 0.00 C ATOM 750 O PRO B 29 -16.192 4.029 -0.048 1.00 0.00 O ATOM 751 CB PRO B 29 -14.414 5.222 -2.039 1.00 0.00 C ATOM 752 CG PRO B 29 -13.514 5.158 -3.226 1.00 0.00 C ATOM 753 CD PRO B 29 -13.307 3.700 -3.504 1.00 0.00 C ATOM 0 HA PRO B 29 -13.495 4.158 -0.327 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.461 5.237 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.236 6.128 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.962 5.660 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.566 5.656 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.080 3.298 -4.159 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.349 3.512 -3.989 1.00 0.00 H new ATOM 761 N THR B 30 -15.571 2.086 -0.968 1.00 0.00 N ATOM 762 CA THR B 30 -16.759 1.363 -0.527 1.00 0.00 C ATOM 763 C THR B 30 -16.787 1.242 0.993 1.00 0.00 C ATOM 764 O THR B 30 -17.547 2.000 1.632 1.00 0.00 O ATOM 765 CB THR B 30 -16.800 -0.029 -1.163 1.00 0.00 C ATOM 766 OG1 THR B 30 -16.825 0.066 -2.576 1.00 0.00 O ATOM 767 CG2 THR B 30 -17.998 -0.851 -0.737 1.00 0.00 C ATOM 768 OXT THR B 30 -16.050 0.389 1.532 1.00 0.00 O ATOM 0 H THR B 30 -14.910 1.520 -1.501 1.00 0.00 H new ATOM 0 HA THR B 30 -17.637 1.926 -0.845 1.00 0.00 H new ATOM 0 HB THR B 30 -15.896 -0.530 -0.815 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.849 -0.834 -2.964 1.00 0.00 H new ATOM 0 HG21 THR B 30 -17.963 -1.825 -1.225 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.980 -0.986 0.344 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.914 -0.334 -1.023 1.00 0.00 H new TER 776 THR B 30