USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (5 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 NoAdj-H: B 8 DSN H : B 8 DSN N : B 7 CYS C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 0.937 K(o=0.88,f=-1.8) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.0534 K(o=0.88,f=-4.4!) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 4 GLN :FLIP amide:sc= -4.04! C(o=-5.7!,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.0038 (180deg=-0.0654) 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.53! C(o=-3.5!,f=-4.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.616 K(o=-0.62,f=-4.8!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : B 5 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.0054) USER MOD Single : B 8 DSN OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -69:sc= -4.48! USER MOD Single : B 27 THR OG1 : rot -85:sc= -5.46! USER MOD Single : B 28 LYS NZ :NH3+ -114:sc= -0.691 (180deg=-1.82!) USER MOD Single : B 30 THR OG1 : rot 21:sc= 0.421 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.285 6.943 -1.233 1.00 0.00 N ATOM 2 CA GLY A 1 -10.573 5.610 -0.633 1.00 0.00 C ATOM 3 C GLY A 1 -9.448 5.116 0.257 1.00 0.00 C ATOM 4 O GLY A 1 -8.820 5.901 0.968 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.170 7.482 -1.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.622 7.463 -0.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.861 6.816 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.493 5.669 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.745 4.887 -1.430 1.00 0.00 H new ATOM 10 N ILE A 2 -9.194 3.810 0.219 1.00 0.00 N ATOM 11 CA ILE A 2 -8.138 3.209 1.030 1.00 0.00 C ATOM 12 C ILE A 2 -6.799 3.916 0.820 1.00 0.00 C ATOM 13 O ILE A 2 -5.954 3.940 1.714 1.00 0.00 O ATOM 14 CB ILE A 2 -7.978 1.705 0.719 1.00 0.00 C ATOM 15 CG1 ILE A 2 -6.925 1.075 1.636 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.611 1.499 -0.743 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.432 -0.128 2.402 1.00 0.00 C ATOM 0 H ILE A 2 -9.705 3.148 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 2 -8.437 3.326 2.072 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.932 1.211 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.064 0.778 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.576 1.826 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.502 0.433 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.397 1.910 -1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.670 2.006 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.633 -0.522 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.274 0.168 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.754 -0.897 1.700 1.00 0.00 H new ATOM 29 N VAL A 3 -6.614 4.494 -0.364 1.00 0.00 N ATOM 30 CA VAL A 3 -5.380 5.204 -0.683 1.00 0.00 C ATOM 31 C VAL A 3 -5.179 6.387 0.262 1.00 0.00 C ATOM 32 O VAL A 3 -5.966 7.334 0.260 1.00 0.00 O ATOM 33 CB VAL A 3 -5.389 5.704 -2.139 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.502 6.719 -2.355 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.039 6.295 -2.504 1.00 0.00 C ATOM 0 H VAL A 3 -7.302 4.484 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.555 4.502 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.579 4.854 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.489 7.058 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.464 6.256 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.351 7.571 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.062 6.644 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.818 7.133 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.267 5.533 -2.395 1.00 0.00 H new ATOM 45 N GLU A 4 -4.138 6.317 1.086 1.00 0.00 N ATOM 46 CA GLU A 4 -3.859 7.375 2.051 1.00 0.00 C ATOM 47 C GLU A 4 -2.935 8.461 1.488 1.00 0.00 C ATOM 48 O GLU A 4 -3.371 9.310 0.712 1.00 0.00 O ATOM 49 CB GLU A 4 -3.279 6.776 3.336 1.00 0.00 C ATOM 50 CG GLU A 4 -4.260 5.900 4.097 1.00 0.00 C ATOM 51 CD GLU A 4 -3.606 5.144 5.236 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.088 4.034 4.991 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.611 5.660 6.373 1.00 0.00 O ATOM 0 H GLU A 4 -3.476 5.541 1.105 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.806 7.864 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.397 6.186 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.947 7.585 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.064 6.521 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.716 5.189 3.408 1.00 0.00 H new ATOM 60 N GLN A 5 -1.667 8.454 1.905 1.00 0.00 N ATOM 61 CA GLN A 5 -0.712 9.463 1.461 1.00 0.00 C ATOM 62 C GLN A 5 0.023 9.049 0.190 1.00 0.00 C ATOM 63 O GLN A 5 1.107 9.553 -0.092 1.00 0.00 O ATOM 64 CB GLN A 5 0.297 9.753 2.573 1.00 0.00 C ATOM 65 CG GLN A 5 1.195 8.574 2.903 1.00 0.00 C ATOM 66 CD GLN A 5 2.083 8.837 4.104 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.053 9.921 4.687 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.881 7.845 4.478 1.00 0.00 N ATOM 0 H GLN A 5 -1.282 7.762 2.547 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.279 10.365 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.917 10.599 2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.242 10.051 3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.579 7.696 3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.818 8.343 2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.873 6.963 3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.502 7.964 5.278 1.00 0.00 H new ATOM 77 N CYS A 6 -0.562 8.142 -0.581 1.00 0.00 N ATOM 78 CA CYS A 6 0.059 7.698 -1.823 1.00 0.00 C ATOM 79 C CYS A 6 -0.400 8.568 -2.976 1.00 0.00 C ATOM 80 O CYS A 6 0.383 9.322 -3.553 1.00 0.00 O ATOM 81 CB CYS A 6 -0.263 6.226 -2.096 1.00 0.00 C ATOM 82 SG CYS A 6 -0.260 5.180 -0.602 1.00 0.00 S ATOM 0 H CYS A 6 -1.458 7.702 -0.371 1.00 0.00 H new ATOM 0 HA CYS A 6 1.140 7.793 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.242 6.160 -2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.464 5.831 -2.806 1.00 0.00 H new ATOM 87 N CYS A 7 -1.676 8.467 -3.295 1.00 0.00 N ATOM 88 CA CYS A 7 -2.258 9.252 -4.366 1.00 0.00 C ATOM 89 C CYS A 7 -2.429 10.702 -3.930 1.00 0.00 C ATOM 90 O CYS A 7 -2.656 11.585 -4.757 1.00 0.00 O ATOM 91 CB CYS A 7 -3.601 8.647 -4.777 1.00 0.00 C ATOM 92 SG CYS A 7 -4.380 9.449 -6.215 1.00 0.00 S ATOM 0 H CYS A 7 -2.333 7.845 -2.824 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.588 9.235 -5.226 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.456 7.590 -5.000 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.285 8.703 -3.930 1.00 0.00 H new ATOM 97 N THR A 8 -2.311 10.943 -2.625 1.00 0.00 N ATOM 98 CA THR A 8 -2.443 12.288 -2.089 1.00 0.00 C ATOM 99 C THR A 8 -1.134 12.770 -1.460 1.00 0.00 C ATOM 100 O THR A 8 -1.113 13.793 -0.775 1.00 0.00 O ATOM 101 CB THR A 8 -3.563 12.337 -1.051 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.672 11.562 -1.473 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.057 13.739 -0.779 1.00 0.00 C ATOM 0 H THR A 8 -2.125 10.224 -1.925 1.00 0.00 H new ATOM 0 HA THR A 8 -2.688 12.952 -2.918 1.00 0.00 H new ATOM 0 HB THR A 8 -3.130 11.936 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.378 11.604 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.852 13.707 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.234 14.349 -0.406 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.442 14.174 -1.701 1.00 0.00 H new ATOM 111 N SER A 9 -0.041 12.037 -1.689 1.00 0.00 N ATOM 112 CA SER A 9 1.254 12.419 -1.129 1.00 0.00 C ATOM 113 C SER A 9 2.357 11.413 -1.486 1.00 0.00 C ATOM 114 O SER A 9 2.228 10.639 -2.435 1.00 0.00 O ATOM 115 CB SER A 9 1.144 12.560 0.394 1.00 0.00 C ATOM 116 OG SER A 9 1.670 13.800 0.832 1.00 0.00 O ATOM 0 H SER A 9 -0.028 11.186 -2.251 1.00 0.00 H new ATOM 0 HA SER A 9 1.532 13.377 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.100 12.478 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.680 11.743 0.877 1.00 0.00 H new ATOM 0 HG SER A 9 1.586 13.865 1.806 1.00 0.00 H new ATOM 122 N ILE A 10 3.442 11.447 -0.712 1.00 0.00 N ATOM 123 CA ILE A 10 4.591 10.566 -0.914 1.00 0.00 C ATOM 124 C ILE A 10 4.449 9.294 -0.057 1.00 0.00 C ATOM 125 O ILE A 10 4.686 9.318 1.150 1.00 0.00 O ATOM 126 CB ILE A 10 5.891 11.354 -0.575 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.144 12.397 -1.661 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.113 10.460 -0.430 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.405 11.788 -3.023 1.00 0.00 C ATOM 0 H ILE A 10 3.548 12.088 0.074 1.00 0.00 H new ATOM 0 HA ILE A 10 4.641 10.244 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 10 5.735 11.831 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.282 13.061 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.998 13.011 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.985 11.071 -0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.945 9.742 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.286 9.926 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.577 12.582 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.284 11.146 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.542 11.197 -3.329 1.00 0.00 H new ATOM 141 N CYS A 11 4.022 8.192 -0.696 1.00 0.00 N ATOM 142 CA CYS A 11 3.802 6.913 0.001 1.00 0.00 C ATOM 143 C CYS A 11 5.000 5.977 -0.092 1.00 0.00 C ATOM 144 O CYS A 11 5.516 5.718 -1.180 1.00 0.00 O ATOM 145 CB CYS A 11 2.591 6.190 -0.587 1.00 0.00 C ATOM 146 SG CYS A 11 1.188 6.006 0.558 1.00 0.00 S ATOM 0 H CYS A 11 3.822 8.161 -1.696 1.00 0.00 H new ATOM 0 HA CYS A 11 3.638 7.163 1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.254 6.733 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.902 5.200 -0.921 1.00 0.00 H new ATOM 151 N SER A 12 5.411 5.441 1.050 1.00 0.00 N ATOM 152 CA SER A 12 6.526 4.505 1.094 1.00 0.00 C ATOM 153 C SER A 12 6.066 3.105 0.694 1.00 0.00 C ATOM 154 O SER A 12 4.997 2.643 1.104 1.00 0.00 O ATOM 155 CB SER A 12 7.139 4.474 2.496 1.00 0.00 C ATOM 156 OG SER A 12 8.086 5.517 2.662 1.00 0.00 O ATOM 0 H SER A 12 4.989 5.638 1.957 1.00 0.00 H new ATOM 0 HA SER A 12 7.283 4.840 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.351 4.571 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.621 3.511 2.665 1.00 0.00 H new ATOM 0 HG SER A 12 8.462 5.477 3.566 1.00 0.00 H new ATOM 162 N LEU A 13 6.880 2.428 -0.110 1.00 0.00 N ATOM 163 CA LEU A 13 6.552 1.081 -0.562 1.00 0.00 C ATOM 164 C LEU A 13 6.234 0.168 0.620 1.00 0.00 C ATOM 165 O LEU A 13 5.545 -0.841 0.469 1.00 0.00 O ATOM 166 CB LEU A 13 7.704 0.502 -1.389 1.00 0.00 C ATOM 167 CG LEU A 13 7.337 -0.682 -2.293 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.004 -0.442 -2.989 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.433 -0.925 -3.319 1.00 0.00 C ATOM 0 H LEU A 13 7.768 2.788 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 13 5.664 1.141 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.118 1.296 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.494 0.186 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 13 7.240 -1.569 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.766 -1.295 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.221 -0.316 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.070 0.458 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.158 -1.768 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.559 -0.034 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.369 -1.147 -2.806 1.00 0.00 H new ATOM 181 N TYR A 14 6.729 0.534 1.801 1.00 0.00 N ATOM 182 CA TYR A 14 6.483 -0.245 3.008 1.00 0.00 C ATOM 183 C TYR A 14 4.984 -0.351 3.269 1.00 0.00 C ATOM 184 O TYR A 14 4.473 -1.419 3.607 1.00 0.00 O ATOM 185 CB TYR A 14 7.186 0.400 4.207 1.00 0.00 C ATOM 186 CG TYR A 14 6.773 -0.174 5.546 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.407 -1.294 6.068 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.749 0.406 6.286 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.032 -1.821 7.290 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.369 -0.115 7.507 1.00 0.00 C ATOM 191 CZ TYR A 14 6.013 -1.228 8.005 1.00 0.00 C ATOM 192 OH TYR A 14 5.637 -1.749 9.222 1.00 0.00 O ATOM 0 H TYR A 14 7.302 1.365 1.945 1.00 0.00 H new ATOM 0 HA TYR A 14 6.885 -1.248 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.263 0.282 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.980 1.470 4.203 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.206 -1.761 5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.243 1.278 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.535 -2.693 7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.571 0.347 8.069 1.00 0.00 H new ATOM 0 HH TYR A 14 4.906 -1.213 9.595 1.00 0.00 H new ATOM 202 N GLN A 15 4.288 0.765 3.096 1.00 0.00 N ATOM 203 CA GLN A 15 2.846 0.807 3.298 1.00 0.00 C ATOM 204 C GLN A 15 2.154 -0.171 2.356 1.00 0.00 C ATOM 205 O GLN A 15 1.225 -0.878 2.745 1.00 0.00 O ATOM 206 CB GLN A 15 2.321 2.223 3.064 1.00 0.00 C ATOM 207 CG GLN A 15 2.939 3.260 3.987 1.00 0.00 C ATOM 208 CD GLN A 15 2.227 4.596 3.923 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.529 5.433 3.073 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.277 4.805 4.827 1.00 0.00 N ATOM 0 H GLN A 15 4.700 1.655 2.816 1.00 0.00 H new ATOM 0 HA GLN A 15 2.629 0.518 4.326 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.515 2.507 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.239 2.228 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.916 2.889 5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.987 3.398 3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.059 4.083 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.765 5.687 4.834 1.00 0.00 H new ATOM 219 N LEU A 16 2.620 -0.212 1.115 1.00 0.00 N ATOM 220 CA LEU A 16 2.053 -1.115 0.117 1.00 0.00 C ATOM 221 C LEU A 16 2.378 -2.567 0.455 1.00 0.00 C ATOM 222 O LEU A 16 1.541 -3.456 0.302 1.00 0.00 O ATOM 223 CB LEU A 16 2.596 -0.770 -1.269 1.00 0.00 C ATOM 224 CG LEU A 16 1.851 0.345 -2.004 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.487 -0.140 -2.468 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.709 1.570 -1.115 1.00 0.00 C ATOM 0 H LEU A 16 3.387 0.367 0.774 1.00 0.00 H new ATOM 0 HA LEU A 16 0.970 -0.993 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.642 -0.481 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.571 -1.669 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 16 2.433 0.625 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.028 0.667 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.612 -0.986 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.102 -0.449 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.176 2.352 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.151 1.305 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.698 1.932 -0.834 1.00 0.00 H new ATOM 238 N GLU A 17 3.605 -2.796 0.907 1.00 0.00 N ATOM 239 CA GLU A 17 4.061 -4.136 1.262 1.00 0.00 C ATOM 240 C GLU A 17 3.139 -4.803 2.282 1.00 0.00 C ATOM 241 O GLU A 17 2.942 -6.017 2.246 1.00 0.00 O ATOM 242 CB GLU A 17 5.488 -4.078 1.813 1.00 0.00 C ATOM 243 CG GLU A 17 6.399 -5.163 1.263 1.00 0.00 C ATOM 244 CD GLU A 17 7.868 -4.842 1.454 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.297 -3.748 1.032 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.590 -5.686 2.027 1.00 0.00 O ATOM 0 H GLU A 17 4.306 -2.067 1.037 1.00 0.00 H new ATOM 0 HA GLU A 17 4.042 -4.738 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.918 -3.103 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.452 -4.162 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.170 -6.108 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.196 -5.299 0.201 1.00 0.00 H new ATOM 253 N ASN A 18 2.584 -4.013 3.198 1.00 0.00 N ATOM 254 CA ASN A 18 1.698 -4.554 4.225 1.00 0.00 C ATOM 255 C ASN A 18 0.313 -4.871 3.662 1.00 0.00 C ATOM 256 O ASN A 18 -0.470 -5.582 4.291 1.00 0.00 O ATOM 257 CB ASN A 18 1.598 -3.588 5.418 1.00 0.00 C ATOM 258 CG ASN A 18 0.574 -2.482 5.226 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.930 -1.321 5.035 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.706 -2.834 5.297 1.00 0.00 N ATOM 0 H ASN A 18 2.730 -3.005 3.250 1.00 0.00 H new ATOM 0 HA ASN A 18 2.130 -5.491 4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.343 -4.156 6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.576 -3.139 5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.435 -2.129 5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.959 -3.809 5.457 1.00 0.00 H new ATOM 267 N TYR A 19 0.017 -4.352 2.474 1.00 0.00 N ATOM 268 CA TYR A 19 -1.272 -4.598 1.840 1.00 0.00 C ATOM 269 C TYR A 19 -1.270 -5.934 1.090 1.00 0.00 C ATOM 270 O TYR A 19 -2.267 -6.312 0.474 1.00 0.00 O ATOM 271 CB TYR A 19 -1.615 -3.455 0.883 1.00 0.00 C ATOM 272 CG TYR A 19 -2.257 -2.263 1.560 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.559 -2.329 2.036 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.559 -1.072 1.719 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.150 -1.243 2.652 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.142 0.019 2.335 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.437 -0.071 2.800 1.00 0.00 C ATOM 278 OH TYR A 19 -4.022 1.013 3.413 1.00 0.00 O ATOM 0 H TYR A 19 0.649 -3.761 1.934 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.031 -4.649 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.704 -3.129 0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.288 -3.829 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.120 -3.245 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.545 -0.998 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.165 -1.311 3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.586 0.938 2.452 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.385 1.758 3.438 1.00 0.00 H new ATOM 288 N CYS A 20 -0.144 -6.647 1.149 1.00 0.00 N ATOM 289 CA CYS A 20 -0.009 -7.938 0.480 1.00 0.00 C ATOM 290 C CYS A 20 -0.676 -9.051 1.292 1.00 0.00 C ATOM 291 O CYS A 20 -0.858 -8.927 2.502 1.00 0.00 O ATOM 292 CB CYS A 20 1.476 -8.259 0.267 1.00 0.00 C ATOM 293 SG CYS A 20 1.819 -9.969 -0.275 1.00 0.00 S ATOM 0 H CYS A 20 0.690 -6.349 1.656 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.509 -7.879 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.880 -7.570 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.011 -8.074 1.199 1.00 0.00 H new ATOM 298 N ASN A 21 -1.033 -10.138 0.610 1.00 0.00 N ATOM 299 CA ASN A 21 -1.672 -11.279 1.258 1.00 0.00 C ATOM 300 C ASN A 21 -3.008 -10.884 1.873 1.00 0.00 C ATOM 301 O ASN A 21 -3.389 -9.714 1.854 1.00 0.00 O ATOM 302 CB ASN A 21 -0.755 -11.863 2.334 1.00 0.00 C ATOM 303 CG ASN A 21 -0.879 -13.371 2.442 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.419 -14.107 1.571 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.506 -13.837 3.517 1.00 0.00 N ATOM 0 H ASN A 21 -0.890 -10.251 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.856 -12.036 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.279 -11.601 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.995 -11.411 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.621 -14.842 3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.872 -13.189 4.215 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 10.129 0.255 -6.854 1.00 0.00 N ATOM 314 CA PHE B 1 9.562 1.595 -6.809 1.00 0.00 C ATOM 315 C PHE B 1 10.468 2.749 -7.213 1.00 0.00 C ATOM 316 O PHE B 1 11.642 2.595 -7.549 1.00 0.00 O ATOM 317 CB PHE B 1 9.056 1.850 -5.391 1.00 0.00 C ATOM 318 CG PHE B 1 7.567 1.913 -5.295 1.00 0.00 C ATOM 319 CD1 PHE B 1 6.775 1.109 -6.095 1.00 0.00 C ATOM 320 CD2 PHE B 1 6.960 2.782 -4.407 1.00 0.00 C ATOM 321 CE1 PHE B 1 5.406 1.170 -6.012 1.00 0.00 C ATOM 322 CE2 PHE B 1 5.589 2.847 -4.319 1.00 0.00 C ATOM 323 CZ PHE B 1 4.811 2.040 -5.123 1.00 0.00 C ATOM 0 H1 PHE B 1 9.411 -0.436 -6.556 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.435 0.040 -7.824 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.947 0.202 -6.213 1.00 0.00 H new ATOM 0 HA PHE B 1 8.779 1.589 -7.567 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.422 1.060 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.476 2.787 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.238 0.426 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.568 3.415 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.797 0.538 -6.641 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.123 3.528 -3.622 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.734 2.090 -5.056 1.00 0.00 H new ATOM 333 N VAL B 2 9.840 3.925 -7.133 1.00 0.00 N ATOM 334 CA VAL B 2 10.438 5.214 -7.430 1.00 0.00 C ATOM 335 C VAL B 2 10.462 6.023 -6.136 1.00 0.00 C ATOM 336 O VAL B 2 10.436 5.437 -5.053 1.00 0.00 O ATOM 337 CB VAL B 2 9.599 5.955 -8.511 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.036 4.958 -9.506 1.00 0.00 C ATOM 339 CG2 VAL B 2 8.448 6.756 -7.900 1.00 0.00 C ATOM 0 H VAL B 2 8.864 4.000 -6.848 1.00 0.00 H new ATOM 0 HA VAL B 2 11.449 5.086 -7.817 1.00 0.00 H new ATOM 0 HB VAL B 2 10.269 6.654 -9.013 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.450 5.486 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.855 4.426 -9.991 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.398 4.244 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.891 7.256 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.783 6.083 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.848 7.501 -7.213 1.00 0.00 H new ATOM 349 N ASN B 3 10.459 7.353 -6.221 1.00 0.00 N ATOM 350 CA ASN B 3 10.422 8.159 -5.009 1.00 0.00 C ATOM 351 C ASN B 3 9.290 7.666 -4.120 1.00 0.00 C ATOM 352 O ASN B 3 9.518 6.890 -3.193 1.00 0.00 O ATOM 353 CB ASN B 3 10.229 9.649 -5.316 1.00 0.00 C ATOM 354 CG ASN B 3 11.068 10.117 -6.491 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.540 10.598 -7.493 1.00 0.00 O ATOM 356 ND2 ASN B 3 12.383 9.977 -6.371 1.00 0.00 N ATOM 0 H ASN B 3 10.481 7.881 -7.093 1.00 0.00 H new ATOM 0 HA ASN B 3 11.380 8.052 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.177 9.839 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.488 10.234 -4.434 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.999 10.274 -7.128 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.777 9.573 -5.522 1.00 0.00 H new ATOM 363 N GLN B 4 8.069 8.105 -4.405 1.00 0.00 N ATOM 364 CA GLN B 4 6.930 7.679 -3.608 1.00 0.00 C ATOM 365 C GLN B 4 5.581 7.927 -4.285 1.00 0.00 C ATOM 366 O GLN B 4 4.628 7.185 -4.051 1.00 0.00 O ATOM 367 CB GLN B 4 6.986 8.373 -2.269 1.00 0.00 C ATOM 368 CG GLN B 4 7.434 7.470 -1.134 1.00 0.00 C ATOM 369 CD GLN B 4 8.719 7.940 -0.473 1.00 0.00 C ATOM 370 OE1 GLN B 4 8.623 8.319 0.797 1.00 0.00 O flip ATOM 371 NE2 GLN B 4 9.780 7.965 -1.093 1.00 0.00 N flip ATOM 0 H GLN B 4 7.847 8.744 -5.168 1.00 0.00 H new ATOM 0 HA GLN B 4 7.003 6.598 -3.486 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.667 9.221 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.000 8.774 -2.035 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.644 7.419 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.577 6.459 -1.516 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.808 7.665 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.632 8.286 -0.633 1.00 0.00 H new ATOM 380 N HIS B 5 5.488 8.989 -5.089 1.00 0.00 N ATOM 381 CA HIS B 5 4.230 9.331 -5.760 1.00 0.00 C ATOM 382 C HIS B 5 3.553 8.088 -6.319 1.00 0.00 C ATOM 383 O HIS B 5 4.036 7.475 -7.271 1.00 0.00 O ATOM 384 CB HIS B 5 4.461 10.349 -6.875 1.00 0.00 C ATOM 385 CG HIS B 5 4.546 11.761 -6.383 1.00 0.00 C ATOM 386 ND1 HIS B 5 5.464 12.671 -6.862 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.817 12.421 -5.448 1.00 0.00 C ATOM 388 CE1 HIS B 5 5.300 13.827 -6.244 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.307 13.701 -5.383 1.00 0.00 N ATOM 0 H HIS B 5 6.261 9.623 -5.291 1.00 0.00 H new ATOM 0 HA HIS B 5 3.572 9.778 -5.015 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.383 10.099 -7.400 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.651 10.273 -7.600 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.004 12.015 -4.865 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.879 14.722 -6.414 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.960 14.437 -4.768 1.00 0.00 H new ATOM 398 N LEU B 6 2.445 7.713 -5.697 1.00 0.00 N ATOM 399 CA LEU B 6 1.703 6.529 -6.096 1.00 0.00 C ATOM 400 C LEU B 6 0.204 6.821 -6.157 1.00 0.00 C ATOM 401 O LEU B 6 -0.279 7.706 -5.461 1.00 0.00 O ATOM 402 CB LEU B 6 1.995 5.417 -5.091 1.00 0.00 C ATOM 403 CG LEU B 6 2.962 4.343 -5.578 1.00 0.00 C ATOM 404 CD1 LEU B 6 2.260 3.386 -6.521 1.00 0.00 C ATOM 405 CD2 LEU B 6 4.175 4.966 -6.256 1.00 0.00 C ATOM 0 H LEU B 6 2.039 8.217 -4.908 1.00 0.00 H new ATOM 0 HA LEU B 6 2.015 6.219 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.401 5.865 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.054 4.940 -4.817 1.00 0.00 H new ATOM 0 HG LEU B 6 3.311 3.784 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.964 2.626 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.430 2.906 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.880 3.937 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.848 4.178 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.850 5.557 -7.112 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.697 5.610 -5.548 1.00 0.00 H new ATOM 417 N CYS B 7 -0.530 6.083 -6.993 1.00 0.00 N ATOM 418 CA CYS B 7 -1.974 6.299 -7.125 1.00 0.00 C ATOM 419 C CYS B 7 -2.606 5.355 -8.153 1.00 0.00 C ATOM 420 O CYS B 7 -2.004 5.045 -9.180 1.00 0.00 O ATOM 421 CB CYS B 7 -2.245 7.751 -7.526 1.00 0.00 C ATOM 422 SG CYS B 7 -4.008 8.159 -7.736 1.00 0.00 S ATOM 0 H CYS B 7 -0.155 5.340 -7.582 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.428 6.086 -6.157 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.820 8.409 -6.768 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.723 7.961 -8.459 1.00 0.00 H new HETATM 427 N DSN B 8 -3.836 4.921 -7.871 1.00 0.00 N HETATM 428 CA DSN B 8 -4.580 4.030 -8.762 1.00 0.00 C HETATM 429 C DSN B 8 -3.686 2.928 -9.356 1.00 0.00 C HETATM 430 O DSN B 8 -2.916 2.300 -8.632 1.00 0.00 O HETATM 431 CB DSN B 8 -5.658 3.284 -7.937 1.00 0.00 C HETATM 432 OG DSN B 8 -6.450 2.395 -8.732 1.00 0.00 O HETATM 0 HG DSN B 8 -7.112 1.949 -8.163 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -5.173 2.718 -7.142 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -6.310 4.013 -7.457 1.00 0.00 H new HETATM 0 HA DSN B 8 -4.994 4.650 -9.557 1.00 0.00 H new HETATM 0 H2 DSN B 8 -4.313 5.696 -7.411 1.00 0.00 H new ATOM 438 N SER B 9 -3.799 2.689 -10.670 1.00 0.00 N ATOM 439 CA SER B 9 -3.006 1.660 -11.346 1.00 0.00 C ATOM 440 C SER B 9 -1.567 1.646 -10.844 1.00 0.00 C ATOM 441 O SER B 9 -0.935 0.592 -10.770 1.00 0.00 O ATOM 442 CB SER B 9 -3.026 1.891 -12.859 1.00 0.00 C ATOM 443 OG SER B 9 -2.207 2.991 -13.218 1.00 0.00 O ATOM 0 H SER B 9 -4.435 3.197 -11.285 1.00 0.00 H new ATOM 0 HA SER B 9 -3.453 0.692 -11.120 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.680 0.993 -13.372 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.049 2.072 -13.189 1.00 0.00 H new ATOM 0 HG SER B 9 -2.235 3.117 -14.189 1.00 0.00 H new ATOM 449 N ASP B 10 -1.063 2.819 -10.482 1.00 0.00 N ATOM 450 CA ASP B 10 0.294 2.935 -9.964 1.00 0.00 C ATOM 451 C ASP B 10 0.344 2.360 -8.557 1.00 0.00 C ATOM 452 O ASP B 10 1.206 1.539 -8.241 1.00 0.00 O ATOM 453 CB ASP B 10 0.760 4.393 -9.968 1.00 0.00 C ATOM 454 CG ASP B 10 0.762 4.995 -11.360 1.00 0.00 C ATOM 455 OD1 ASP B 10 1.435 4.433 -12.249 1.00 0.00 O ATOM 456 OD2 ASP B 10 0.091 6.029 -11.561 1.00 0.00 O ATOM 0 H ASP B 10 -1.572 3.701 -10.537 1.00 0.00 H new ATOM 0 HA ASP B 10 0.969 2.372 -10.609 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.109 4.982 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.764 4.452 -9.548 1.00 0.00 H new ATOM 461 N LEU B 11 -0.615 2.765 -7.725 1.00 0.00 N ATOM 462 CA LEU B 11 -0.709 2.255 -6.369 1.00 0.00 C ATOM 463 C LEU B 11 -0.810 0.745 -6.426 1.00 0.00 C ATOM 464 O LEU B 11 -0.177 0.027 -5.653 1.00 0.00 O ATOM 465 CB LEU B 11 -1.932 2.838 -5.672 1.00 0.00 C ATOM 466 CG LEU B 11 -2.183 2.304 -4.268 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.956 2.496 -3.400 1.00 0.00 C ATOM 468 CD2 LEU B 11 -3.377 2.997 -3.655 1.00 0.00 C ATOM 0 H LEU B 11 -1.335 3.445 -7.972 1.00 0.00 H new ATOM 0 HA LEU B 11 0.176 2.545 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.820 3.921 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.811 2.638 -6.284 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.393 1.236 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.153 2.109 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.114 1.960 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.717 3.558 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.548 2.608 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.187 4.069 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -4.259 2.815 -4.270 1.00 0.00 H new ATOM 480 N VAL B 12 -1.591 0.282 -7.390 1.00 0.00 N ATOM 481 CA VAL B 12 -1.768 -1.135 -7.619 1.00 0.00 C ATOM 482 C VAL B 12 -0.454 -1.714 -8.110 1.00 0.00 C ATOM 483 O VAL B 12 0.008 -2.737 -7.613 1.00 0.00 O ATOM 484 CB VAL B 12 -2.877 -1.376 -8.670 1.00 0.00 C ATOM 485 CG1 VAL B 12 -2.585 -2.589 -9.535 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.221 -1.519 -7.995 1.00 0.00 C ATOM 0 H VAL B 12 -2.115 0.878 -8.030 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.066 -1.621 -6.690 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.900 -0.506 -9.326 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.389 -2.722 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.642 -2.442 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.514 -3.476 -8.906 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.990 -1.688 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.195 -2.364 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.449 -0.608 -7.442 1.00 0.00 H new ATOM 496 N GLU B 13 0.155 -1.025 -9.075 1.00 0.00 N ATOM 497 CA GLU B 13 1.443 -1.446 -9.622 1.00 0.00 C ATOM 498 C GLU B 13 2.361 -1.837 -8.475 1.00 0.00 C ATOM 499 O GLU B 13 3.136 -2.790 -8.570 1.00 0.00 O ATOM 500 CB GLU B 13 2.072 -0.320 -10.446 1.00 0.00 C ATOM 501 CG GLU B 13 2.841 -0.813 -11.660 1.00 0.00 C ATOM 502 CD GLU B 13 3.513 0.313 -12.421 1.00 0.00 C ATOM 503 OE1 GLU B 13 4.387 0.986 -11.836 1.00 0.00 O ATOM 504 OE2 GLU B 13 3.164 0.522 -13.602 1.00 0.00 O ATOM 0 H GLU B 13 -0.223 -0.175 -9.493 1.00 0.00 H new ATOM 0 HA GLU B 13 1.294 -2.301 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.287 0.361 -10.775 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.745 0.254 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.596 -1.532 -11.340 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.160 -1.342 -12.327 1.00 0.00 H new ATOM 511 N ALA B 14 2.217 -1.114 -7.370 1.00 0.00 N ATOM 512 CA ALA B 14 2.975 -1.391 -6.167 1.00 0.00 C ATOM 513 C ALA B 14 2.382 -2.611 -5.500 1.00 0.00 C ATOM 514 O ALA B 14 2.998 -3.667 -5.446 1.00 0.00 O ATOM 515 CB ALA B 14 2.924 -0.208 -5.222 1.00 0.00 C ATOM 0 H ALA B 14 1.575 -0.326 -7.288 1.00 0.00 H new ATOM 0 HA ALA B 14 4.018 -1.572 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.499 -0.435 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.348 0.668 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.889 -0.005 -4.948 1.00 0.00 H new ATOM 521 N LEU B 15 1.151 -2.458 -5.020 1.00 0.00 N ATOM 522 CA LEU B 15 0.434 -3.548 -4.378 1.00 0.00 C ATOM 523 C LEU B 15 0.632 -4.868 -5.135 1.00 0.00 C ATOM 524 O LEU B 15 0.583 -5.949 -4.547 1.00 0.00 O ATOM 525 CB LEU B 15 -1.058 -3.199 -4.307 1.00 0.00 C ATOM 526 CG LEU B 15 -1.622 -3.061 -2.895 1.00 0.00 C ATOM 527 CD1 LEU B 15 -3.138 -2.949 -2.925 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.189 -4.241 -2.050 1.00 0.00 C ATOM 0 H LEU B 15 0.629 -1.583 -5.066 1.00 0.00 H new ATOM 0 HA LEU B 15 0.831 -3.680 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.223 -2.263 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.621 -3.969 -4.833 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.229 -2.146 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.516 -2.852 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.427 -2.072 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.560 -3.843 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.595 -4.136 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.560 -5.164 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.101 -4.273 -2.001 1.00 0.00 H new ATOM 540 N TYR B 16 0.848 -4.762 -6.445 1.00 0.00 N ATOM 541 CA TYR B 16 1.038 -5.929 -7.301 1.00 0.00 C ATOM 542 C TYR B 16 2.462 -6.485 -7.227 1.00 0.00 C ATOM 543 O TYR B 16 2.652 -7.701 -7.168 1.00 0.00 O ATOM 544 CB TYR B 16 0.700 -5.564 -8.749 1.00 0.00 C ATOM 545 CG TYR B 16 -0.384 -6.424 -9.355 1.00 0.00 C ATOM 546 CD1 TYR B 16 -0.330 -7.807 -9.255 1.00 0.00 C ATOM 547 CD2 TYR B 16 -1.457 -5.855 -10.031 1.00 0.00 C ATOM 548 CE1 TYR B 16 -1.313 -8.602 -9.810 1.00 0.00 C ATOM 549 CE2 TYR B 16 -2.444 -6.644 -10.591 1.00 0.00 C ATOM 550 CZ TYR B 16 -2.368 -8.017 -10.478 1.00 0.00 C ATOM 551 OH TYR B 16 -3.348 -8.806 -11.035 1.00 0.00 O ATOM 0 H TYR B 16 0.896 -3.871 -6.939 1.00 0.00 H new ATOM 0 HA TYR B 16 0.368 -6.709 -6.941 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.388 -4.520 -8.788 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.601 -5.650 -9.356 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.495 -8.270 -8.734 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.520 -4.781 -10.120 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.256 -9.677 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.271 -6.188 -11.115 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.019 -8.238 -11.468 1.00 0.00 H new ATOM 561 N LEU B 17 3.463 -5.605 -7.232 1.00 0.00 N ATOM 562 CA LEU B 17 4.855 -6.044 -7.166 1.00 0.00 C ATOM 563 C LEU B 17 5.305 -6.120 -5.721 1.00 0.00 C ATOM 564 O LEU B 17 6.086 -6.990 -5.332 1.00 0.00 O ATOM 565 CB LEU B 17 5.760 -5.097 -7.958 1.00 0.00 C ATOM 566 CG LEU B 17 5.966 -3.727 -7.320 1.00 0.00 C ATOM 567 CD1 LEU B 17 7.290 -3.679 -6.571 1.00 0.00 C ATOM 568 CD2 LEU B 17 5.903 -2.628 -8.371 1.00 0.00 C ATOM 0 H LEU B 17 3.338 -4.594 -7.281 1.00 0.00 H new ATOM 0 HA LEU B 17 4.929 -7.036 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.733 -5.571 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.336 -4.959 -8.953 1.00 0.00 H new ATOM 0 HG LEU B 17 5.161 -3.559 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.419 -2.694 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.293 -4.437 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.108 -3.872 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.052 -1.659 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.683 -2.791 -9.115 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.928 -2.646 -8.858 1.00 0.00 H new ATOM 580 N VAL B 18 4.786 -5.195 -4.933 1.00 0.00 N ATOM 581 CA VAL B 18 5.088 -5.111 -3.523 1.00 0.00 C ATOM 582 C VAL B 18 4.745 -6.422 -2.823 1.00 0.00 C ATOM 583 O VAL B 18 5.428 -6.839 -1.886 1.00 0.00 O ATOM 584 CB VAL B 18 4.310 -3.937 -2.891 1.00 0.00 C ATOM 585 CG1 VAL B 18 2.984 -4.393 -2.298 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.159 -3.240 -1.854 1.00 0.00 C ATOM 0 H VAL B 18 4.139 -4.478 -5.260 1.00 0.00 H new ATOM 0 HA VAL B 18 6.156 -4.932 -3.400 1.00 0.00 H new ATOM 0 HB VAL B 18 4.078 -3.225 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.467 -3.538 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.366 -4.831 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.169 -5.138 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.596 -2.415 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.431 -3.948 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.063 -2.854 -2.324 1.00 0.00 H new ATOM 596 N CYS B 19 3.683 -7.070 -3.292 1.00 0.00 N ATOM 597 CA CYS B 19 3.246 -8.336 -2.723 1.00 0.00 C ATOM 598 C CYS B 19 4.002 -9.505 -3.347 1.00 0.00 C ATOM 599 O CYS B 19 4.831 -10.141 -2.696 1.00 0.00 O ATOM 600 CB CYS B 19 1.745 -8.525 -2.934 1.00 0.00 C ATOM 601 SG CYS B 19 1.083 -10.035 -2.165 1.00 0.00 S ATOM 0 H CYS B 19 3.109 -6.736 -4.067 1.00 0.00 H new ATOM 0 HA CYS B 19 3.459 -8.313 -1.654 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.218 -7.661 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.538 -8.552 -4.004 1.00 0.00 H new ATOM 606 N GLY B 20 3.703 -9.785 -4.611 1.00 0.00 N ATOM 607 CA GLY B 20 4.354 -10.880 -5.306 1.00 0.00 C ATOM 608 C GLY B 20 3.361 -11.882 -5.859 1.00 0.00 C ATOM 609 O GLY B 20 2.150 -11.668 -5.789 1.00 0.00 O ATOM 0 H GLY B 20 3.020 -9.272 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.957 -10.482 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.036 -11.387 -4.623 1.00 0.00 H new ATOM 613 N GLU B 21 3.870 -12.978 -6.409 1.00 0.00 N ATOM 614 CA GLU B 21 3.017 -14.017 -6.977 1.00 0.00 C ATOM 615 C GLU B 21 2.053 -14.574 -5.930 1.00 0.00 C ATOM 616 O GLU B 21 1.020 -15.149 -6.269 1.00 0.00 O ATOM 617 CB GLU B 21 3.870 -15.150 -7.552 1.00 0.00 C ATOM 618 CG GLU B 21 3.088 -16.120 -8.422 1.00 0.00 C ATOM 619 CD GLU B 21 3.962 -16.825 -9.439 1.00 0.00 C ATOM 620 OE1 GLU B 21 4.921 -17.509 -9.026 1.00 0.00 O ATOM 621 OE2 GLU B 21 3.687 -16.695 -10.651 1.00 0.00 O ATOM 0 H GLU B 21 4.869 -13.171 -6.474 1.00 0.00 H new ATOM 0 HA GLU B 21 2.431 -13.567 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.681 -14.720 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.329 -15.701 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.604 -16.862 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.296 -15.580 -8.941 1.00 0.00 H new ATOM 628 N ARG B 22 2.400 -14.402 -4.657 1.00 0.00 N ATOM 629 CA ARG B 22 1.567 -14.890 -3.562 1.00 0.00 C ATOM 630 C ARG B 22 0.147 -14.333 -3.656 1.00 0.00 C ATOM 631 O ARG B 22 -0.808 -14.965 -3.205 1.00 0.00 O ATOM 632 CB ARG B 22 2.189 -14.511 -2.216 1.00 0.00 C ATOM 633 CG ARG B 22 2.272 -15.669 -1.234 1.00 0.00 C ATOM 634 CD ARG B 22 3.199 -15.348 -0.073 1.00 0.00 C ATOM 635 NE ARG B 22 3.311 -16.464 0.865 1.00 0.00 N ATOM 636 CZ ARG B 22 2.400 -16.747 1.794 1.00 0.00 C ATOM 637 NH1 ARG B 22 1.308 -16.003 1.911 1.00 0.00 N ATOM 638 NH2 ARG B 22 2.582 -17.779 2.606 1.00 0.00 N ATOM 0 H ARG B 22 3.253 -13.928 -4.359 1.00 0.00 H new ATOM 0 HA ARG B 22 1.512 -15.976 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.191 -14.118 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.604 -13.708 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.276 -15.897 -0.854 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.628 -16.561 -1.750 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.188 -15.097 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.829 -14.468 0.453 1.00 0.00 H new ATOM 0 HE ARG B 22 4.136 -17.061 0.804 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.163 -15.209 1.287 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.614 -16.225 2.625 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.419 -18.355 2.519 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.885 -17.997 3.318 1.00 0.00 H new ATOM 652 N GLY B 23 0.016 -13.146 -4.241 1.00 0.00 N ATOM 653 CA GLY B 23 -1.290 -12.527 -4.378 1.00 0.00 C ATOM 654 C GLY B 23 -1.487 -11.380 -3.406 1.00 0.00 C ATOM 655 O GLY B 23 -1.429 -11.573 -2.191 1.00 0.00 O ATOM 0 H GLY B 23 0.790 -12.602 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.411 -12.161 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.064 -13.277 -4.214 1.00 0.00 H new ATOM 659 N PHE B 24 -1.715 -10.184 -3.939 1.00 0.00 N ATOM 660 CA PHE B 24 -1.914 -9.004 -3.104 1.00 0.00 C ATOM 661 C PHE B 24 -3.391 -8.794 -2.789 1.00 0.00 C ATOM 662 O PHE B 24 -4.260 -9.434 -3.381 1.00 0.00 O ATOM 663 CB PHE B 24 -1.328 -7.761 -3.783 1.00 0.00 C ATOM 664 CG PHE B 24 -2.160 -7.223 -4.917 1.00 0.00 C ATOM 665 CD1 PHE B 24 -2.203 -7.877 -6.137 1.00 0.00 C ATOM 666 CD2 PHE B 24 -2.893 -6.059 -4.759 1.00 0.00 C ATOM 667 CE1 PHE B 24 -2.960 -7.378 -7.179 1.00 0.00 C ATOM 668 CE2 PHE B 24 -3.653 -5.556 -5.797 1.00 0.00 C ATOM 669 CZ PHE B 24 -3.687 -6.215 -7.009 1.00 0.00 C ATOM 0 H PHE B 24 -1.767 -10.006 -4.942 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.390 -9.167 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.204 -6.978 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.334 -8.002 -4.160 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.638 -8.787 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.870 -5.538 -3.813 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.984 -7.896 -8.126 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.220 -4.647 -5.660 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.280 -5.823 -7.822 1.00 0.00 H new ATOM 679 N PHE B 25 -3.664 -7.900 -1.845 1.00 0.00 N ATOM 680 CA PHE B 25 -5.034 -7.610 -1.440 1.00 0.00 C ATOM 681 C PHE B 25 -5.224 -6.120 -1.173 1.00 0.00 C ATOM 682 O PHE B 25 -4.406 -5.489 -0.503 1.00 0.00 O ATOM 683 CB PHE B 25 -5.389 -8.414 -0.186 1.00 0.00 C ATOM 684 CG PHE B 25 -6.587 -9.302 -0.360 1.00 0.00 C ATOM 685 CD1 PHE B 25 -6.522 -10.420 -1.174 1.00 0.00 C ATOM 686 CD2 PHE B 25 -7.775 -9.018 0.293 1.00 0.00 C ATOM 687 CE1 PHE B 25 -7.623 -11.241 -1.335 1.00 0.00 C ATOM 688 CE2 PHE B 25 -8.878 -9.834 0.137 1.00 0.00 C ATOM 689 CZ PHE B 25 -8.803 -10.947 -0.678 1.00 0.00 C ATOM 0 H PHE B 25 -2.954 -7.364 -1.346 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.698 -7.898 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -4.532 -9.025 0.098 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.575 -7.724 0.637 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.602 -10.653 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.839 -8.149 0.931 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.561 -12.110 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.799 -9.602 0.652 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.665 -11.586 -0.802 1.00 0.00 H new ATOM 699 N TYR B 26 -6.315 -5.566 -1.693 1.00 0.00 N ATOM 700 CA TYR B 26 -6.621 -4.154 -1.503 1.00 0.00 C ATOM 701 C TYR B 26 -7.537 -3.965 -0.297 1.00 0.00 C ATOM 702 O TYR B 26 -7.089 -3.538 0.765 1.00 0.00 O ATOM 703 CB TYR B 26 -7.280 -3.578 -2.760 1.00 0.00 C ATOM 704 CG TYR B 26 -6.572 -2.365 -3.316 1.00 0.00 C ATOM 705 CD1 TYR B 26 -6.836 -1.093 -2.823 1.00 0.00 C ATOM 706 CD2 TYR B 26 -5.643 -2.489 -4.339 1.00 0.00 C ATOM 707 CE1 TYR B 26 -6.195 0.019 -3.334 1.00 0.00 C ATOM 708 CE2 TYR B 26 -4.999 -1.383 -4.855 1.00 0.00 C ATOM 709 CZ TYR B 26 -5.278 -0.131 -4.351 1.00 0.00 C ATOM 710 OH TYR B 26 -4.640 0.974 -4.866 1.00 0.00 O ATOM 0 H TYR B 26 -7.002 -6.075 -2.250 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.688 -3.621 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.315 -4.351 -3.528 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.311 -3.311 -2.529 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.555 -0.972 -2.026 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.420 -3.467 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.412 1.000 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.279 -1.498 -5.651 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.284 1.523 -5.360 1.00 0.00 H new ATOM 720 N THR B 27 -8.818 -4.304 -0.484 1.00 0.00 N ATOM 721 CA THR B 27 -9.844 -4.207 0.545 1.00 0.00 C ATOM 722 C THR B 27 -11.184 -3.911 -0.100 1.00 0.00 C ATOM 723 O THR B 27 -11.312 -3.015 -0.935 1.00 0.00 O ATOM 724 CB THR B 27 -9.563 -3.136 1.596 1.00 0.00 C ATOM 725 OG1 THR B 27 -8.926 -2.008 1.024 1.00 0.00 O ATOM 726 CG2 THR B 27 -8.711 -3.628 2.747 1.00 0.00 C ATOM 0 H THR B 27 -9.171 -4.659 -1.373 1.00 0.00 H new ATOM 0 HA THR B 27 -9.850 -5.168 1.059 1.00 0.00 H new ATOM 0 HB THR B 27 -10.543 -2.864 1.989 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.959 -2.164 0.983 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.552 -2.815 3.455 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.218 -4.452 3.249 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.749 -3.972 2.367 1.00 0.00 H new ATOM 734 N LYS B 28 -12.171 -4.673 0.304 1.00 0.00 N ATOM 735 CA LYS B 28 -13.529 -4.525 -0.207 1.00 0.00 C ATOM 736 C LYS B 28 -14.222 -3.330 0.441 1.00 0.00 C ATOM 737 O LYS B 28 -13.808 -2.865 1.502 1.00 0.00 O ATOM 738 CB LYS B 28 -14.334 -5.802 0.049 1.00 0.00 C ATOM 739 CG LYS B 28 -14.005 -6.932 -0.913 1.00 0.00 C ATOM 740 CD LYS B 28 -12.986 -7.891 -0.319 1.00 0.00 C ATOM 741 CE LYS B 28 -13.534 -8.590 0.915 1.00 0.00 C ATOM 742 NZ LYS B 28 -13.029 -7.975 2.175 1.00 0.00 N ATOM 0 H LYS B 28 -12.065 -5.415 0.996 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.473 -4.351 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.150 -6.139 1.069 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.397 -5.572 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.916 -7.476 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.617 -6.518 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.706 -8.634 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.080 -7.345 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.623 -8.548 0.902 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.256 -9.643 0.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.422 -8.656 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.479 -7.122 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.833 -7.718 2.782 1.00 0.00 H new ATOM 756 N PRO B 29 -15.293 -2.815 -0.188 1.00 0.00 N ATOM 757 CA PRO B 29 -16.041 -1.668 0.338 1.00 0.00 C ATOM 758 C PRO B 29 -16.591 -1.932 1.735 1.00 0.00 C ATOM 759 O PRO B 29 -17.555 -2.680 1.903 1.00 0.00 O ATOM 760 CB PRO B 29 -17.187 -1.483 -0.666 1.00 0.00 C ATOM 761 CG PRO B 29 -17.262 -2.768 -1.418 1.00 0.00 C ATOM 762 CD PRO B 29 -15.861 -3.304 -1.454 1.00 0.00 C ATOM 0 HA PRO B 29 -15.409 -0.786 0.440 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -18.126 -1.270 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -16.992 -0.646 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -17.936 -3.470 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -17.646 -2.609 -2.426 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -15.846 -4.392 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -15.308 -2.932 -2.316 1.00 0.00 H new ATOM 770 N THR B 30 -15.973 -1.312 2.735 1.00 0.00 N ATOM 771 CA THR B 30 -16.399 -1.480 4.119 1.00 0.00 C ATOM 772 C THR B 30 -17.846 -1.033 4.301 1.00 0.00 C ATOM 773 O THR B 30 -18.637 -1.810 4.876 1.00 0.00 O ATOM 774 CB THR B 30 -15.487 -0.685 5.055 1.00 0.00 C ATOM 775 OG1 THR B 30 -15.637 0.707 4.840 1.00 0.00 O ATOM 776 CG2 THR B 30 -14.021 -1.020 4.889 1.00 0.00 C ATOM 777 OXT THR B 30 -18.177 0.090 3.865 1.00 0.00 O ATOM 0 H THR B 30 -15.175 -0.688 2.612 1.00 0.00 H new ATOM 0 HA THR B 30 -16.330 -2.539 4.368 1.00 0.00 H new ATOM 0 HB THR B 30 -15.795 -0.964 6.063 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.494 0.879 4.397 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.430 -0.421 5.582 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.864 -2.078 5.098 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.712 -0.802 3.867 1.00 0.00 H new TER 785 THR B 30