USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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 5 GLN : amide:sc= -1.17 K(o=-7.2,f=-8.2!) USER MOD Set 1.2: A 15 GLN : amide:sc= -6.05 K(o=-7.2,f=-10!) USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= -0.199 (180deg=-0.199) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.39! USER MOD Single : A 12 SER OG : rot 180:sc= 0.0824 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.00068) USER MOD Single : A 21 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.0051) USER MOD Single : B 1 PHE N :NH3+ -116:sc= 0.071 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -4.42! C(o=-4.4!,f=-4.8!) USER MOD Single : B 4 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.42) USER MOD Single : B 5 HIS : no HD1:sc= -8.43! C(o=-8.4!,f=-8.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0896 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -30:sc= -0.0411 USER MOD Single : B 27 THR OG1 : rot -30:sc= 0.287 USER MOD Single : B 29 LYS NZ :NH3+ 145:sc= -0.32 (180deg=-1.76!) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.139 5.032 1.696 1.00 0.00 N ATOM 2 CA GLY A 1 -5.546 6.200 0.986 1.00 0.00 C ATOM 3 C GLY A 1 -4.477 5.720 0.002 1.00 0.00 C ATOM 4 O GLY A 1 -3.874 6.503 -0.703 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.865 5.363 2.363 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.573 4.389 1.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.394 4.528 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.324 6.747 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.107 6.890 1.706 1.00 0.00 H new ATOM 10 N ILE A 2 -4.230 4.437 -0.048 1.00 0.00 N ATOM 11 CA ILE A 2 -3.190 3.915 -0.988 1.00 0.00 C ATOM 12 C ILE A 2 -3.281 4.619 -2.347 1.00 0.00 C ATOM 13 O ILE A 2 -2.308 4.726 -3.068 1.00 0.00 O ATOM 14 CB ILE A 2 -3.489 2.417 -1.123 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.772 1.859 -2.366 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.002 2.190 -1.223 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.676 1.941 -3.604 1.00 0.00 C ATOM 0 H ILE A 2 -4.700 3.730 0.518 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.180 4.094 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.122 1.893 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.854 2.420 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.484 0.823 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.204 1.123 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.487 2.572 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.391 2.713 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.146 1.541 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.582 1.360 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.943 2.981 -3.792 1.00 0.00 H new ATOM 29 N VAL A 3 -4.441 5.095 -2.701 1.00 0.00 N ATOM 30 CA VAL A 3 -4.606 5.789 -4.013 1.00 0.00 C ATOM 31 C VAL A 3 -4.028 7.205 -3.954 1.00 0.00 C ATOM 32 O VAL A 3 -3.720 7.802 -4.966 1.00 0.00 O ATOM 33 CB VAL A 3 -6.120 5.831 -4.241 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.745 6.915 -3.360 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.407 6.140 -5.713 1.00 0.00 C ATOM 0 H VAL A 3 -5.288 5.034 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.081 5.277 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.550 4.864 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.822 6.942 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.544 6.693 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.315 7.884 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.484 6.170 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.974 7.106 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.967 5.364 -6.340 1.00 0.00 H new ATOM 45 N GLU A 4 -3.888 7.754 -2.779 1.00 0.00 N ATOM 46 CA GLU A 4 -3.341 9.137 -2.670 1.00 0.00 C ATOM 47 C GLU A 4 -1.896 9.127 -2.158 1.00 0.00 C ATOM 48 O GLU A 4 -1.326 10.167 -1.893 1.00 0.00 O ATOM 49 CB GLU A 4 -4.255 9.848 -1.670 1.00 0.00 C ATOM 50 CG GLU A 4 -4.373 9.008 -0.395 1.00 0.00 C ATOM 51 CD GLU A 4 -4.841 9.895 0.760 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.614 11.092 0.692 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.417 9.363 1.694 1.00 0.00 O ATOM 0 H GLU A 4 -4.127 7.308 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.318 9.635 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.854 10.833 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.241 10.002 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.078 8.191 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.411 8.557 -0.154 1.00 0.00 H new ATOM 60 N GLN A 5 -1.291 7.977 -2.004 1.00 0.00 N ATOM 61 CA GLN A 5 0.113 7.963 -1.498 1.00 0.00 C ATOM 62 C GLN A 5 1.099 7.646 -2.633 1.00 0.00 C ATOM 63 O GLN A 5 2.163 8.227 -2.707 1.00 0.00 O ATOM 64 CB GLN A 5 0.153 6.891 -0.397 1.00 0.00 C ATOM 65 CG GLN A 5 0.973 7.415 0.783 1.00 0.00 C ATOM 66 CD GLN A 5 0.054 7.614 1.990 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.876 6.856 2.190 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.273 8.607 2.807 1.00 0.00 N ATOM 0 H GLN A 5 -1.699 7.064 -2.203 1.00 0.00 H new ATOM 0 HA GLN A 5 0.410 8.935 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.859 6.647 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.594 5.972 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.768 6.711 1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.452 8.357 0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.053 9.243 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.336 8.748 3.613 1.00 0.00 H new ATOM 77 N CYS A 6 0.767 6.746 -3.527 1.00 0.00 N ATOM 78 CA CYS A 6 1.716 6.443 -4.638 1.00 0.00 C ATOM 79 C CYS A 6 1.342 7.231 -5.896 1.00 0.00 C ATOM 80 O CYS A 6 2.152 7.438 -6.751 1.00 0.00 O ATOM 81 CB CYS A 6 1.681 4.914 -4.873 1.00 0.00 C ATOM 82 SG CYS A 6 1.361 4.048 -3.327 1.00 0.00 S ATOM 0 H CYS A 6 -0.105 6.217 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 6 2.731 6.747 -4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.908 4.669 -5.601 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.631 4.582 -5.293 1.00 0.00 H new ATOM 87 N CYS A 7 0.154 7.714 -6.030 1.00 0.00 N ATOM 88 CA CYS A 7 -0.130 8.507 -7.263 1.00 0.00 C ATOM 89 C CYS A 7 0.323 9.943 -7.040 1.00 0.00 C ATOM 90 O CYS A 7 1.005 10.537 -7.850 1.00 0.00 O ATOM 91 CB CYS A 7 -1.639 8.490 -7.442 1.00 0.00 C ATOM 92 SG CYS A 7 -2.069 9.277 -9.019 1.00 0.00 S ATOM 0 H CYS A 7 -0.617 7.607 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 7 0.384 8.099 -8.133 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.007 7.464 -7.423 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.120 9.016 -6.617 1.00 0.00 H new ATOM 97 N THR A 8 -0.088 10.502 -5.943 1.00 0.00 N ATOM 98 CA THR A 8 0.268 11.912 -5.630 1.00 0.00 C ATOM 99 C THR A 8 1.552 11.999 -4.794 1.00 0.00 C ATOM 100 O THR A 8 1.822 13.007 -4.172 1.00 0.00 O ATOM 101 CB THR A 8 -0.928 12.421 -4.825 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.053 12.542 -5.684 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.605 13.784 -4.212 1.00 0.00 C ATOM 0 H THR A 8 -0.663 10.038 -5.239 1.00 0.00 H new ATOM 0 HA THR A 8 0.461 12.496 -6.530 1.00 0.00 H new ATOM 0 HB THR A 8 -1.149 11.715 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.823 12.866 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.463 14.138 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.257 13.691 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.379 14.496 -5.006 1.00 0.00 H new ATOM 111 N SER A 9 2.355 10.970 -4.767 1.00 0.00 N ATOM 112 CA SER A 9 3.607 11.055 -3.958 1.00 0.00 C ATOM 113 C SER A 9 4.373 9.732 -3.968 1.00 0.00 C ATOM 114 O SER A 9 4.068 8.821 -4.712 1.00 0.00 O ATOM 115 CB SER A 9 3.141 11.392 -2.540 1.00 0.00 C ATOM 116 OG SER A 9 4.182 11.089 -1.619 1.00 0.00 O ATOM 0 H SER A 9 2.204 10.090 -5.259 1.00 0.00 H new ATOM 0 HA SER A 9 4.291 11.802 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.876 12.447 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.245 10.822 -2.294 1.00 0.00 H new ATOM 0 HG SER A 9 3.887 11.305 -0.710 1.00 0.00 H new ATOM 122 N ILE A 10 5.383 9.641 -3.147 1.00 0.00 N ATOM 123 CA ILE A 10 6.215 8.407 -3.086 1.00 0.00 C ATOM 124 C ILE A 10 5.787 7.516 -1.917 1.00 0.00 C ATOM 125 O ILE A 10 6.019 7.837 -0.769 1.00 0.00 O ATOM 126 CB ILE A 10 7.640 8.919 -2.847 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.903 10.145 -3.725 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.647 7.827 -3.198 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.795 9.737 -5.190 1.00 0.00 C ATOM 0 H ILE A 10 5.671 10.381 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 10 6.121 7.808 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 10 7.747 9.191 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.183 10.932 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.894 10.551 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.658 8.196 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.469 6.953 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.534 7.552 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.981 10.604 -5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.532 8.964 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.795 9.351 -5.387 1.00 0.00 H new ATOM 141 N CYS A 11 5.190 6.386 -2.191 1.00 0.00 N ATOM 142 CA CYS A 11 4.790 5.478 -1.066 1.00 0.00 C ATOM 143 C CYS A 11 5.730 4.265 -1.064 1.00 0.00 C ATOM 144 O CYS A 11 6.352 3.964 -2.063 1.00 0.00 O ATOM 145 CB CYS A 11 3.326 5.094 -1.329 1.00 0.00 C ATOM 146 SG CYS A 11 3.220 3.815 -2.601 1.00 0.00 S ATOM 0 H CYS A 11 4.963 6.053 -3.128 1.00 0.00 H new ATOM 0 HA CYS A 11 4.869 5.943 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.867 4.736 -0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.765 5.974 -1.643 1.00 0.00 H new ATOM 151 N SER A 12 5.884 3.587 0.046 1.00 0.00 N ATOM 152 CA SER A 12 6.842 2.437 0.060 1.00 0.00 C ATOM 153 C SER A 12 6.162 1.080 0.059 1.00 0.00 C ATOM 154 O SER A 12 4.955 0.955 0.004 1.00 0.00 O ATOM 155 CB SER A 12 7.659 2.585 1.336 1.00 0.00 C ATOM 156 OG SER A 12 7.001 3.473 2.226 1.00 0.00 O ATOM 0 H SER A 12 5.401 3.773 0.925 1.00 0.00 H new ATOM 0 HA SER A 12 7.446 2.468 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.791 1.612 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.654 2.962 1.100 1.00 0.00 H new ATOM 0 HG SER A 12 7.529 3.564 3.047 1.00 0.00 H new ATOM 162 N LEU A 13 6.969 0.060 0.130 1.00 0.00 N ATOM 163 CA LEU A 13 6.440 -1.332 0.137 1.00 0.00 C ATOM 164 C LEU A 13 5.803 -1.645 1.486 1.00 0.00 C ATOM 165 O LEU A 13 4.927 -2.477 1.589 1.00 0.00 O ATOM 166 CB LEU A 13 7.650 -2.234 -0.121 1.00 0.00 C ATOM 167 CG LEU A 13 8.359 -1.784 -1.398 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.858 -1.641 -1.126 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.140 -2.829 -2.494 1.00 0.00 C ATOM 0 H LEU A 13 7.985 0.132 0.184 1.00 0.00 H new ATOM 0 HA LEU A 13 5.668 -1.481 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.337 -2.189 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.330 -3.271 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 13 7.955 -0.825 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.364 -1.320 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.017 -0.900 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.263 -2.601 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.645 -2.511 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.547 -3.787 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.073 -2.935 -2.688 1.00 0.00 H new ATOM 181 N TYR A 14 6.221 -0.967 2.517 1.00 0.00 N ATOM 182 CA TYR A 14 5.624 -1.210 3.855 1.00 0.00 C ATOM 183 C TYR A 14 4.362 -0.365 3.986 1.00 0.00 C ATOM 184 O TYR A 14 3.447 -0.697 4.711 1.00 0.00 O ATOM 185 CB TYR A 14 6.680 -0.775 4.865 1.00 0.00 C ATOM 186 CG TYR A 14 6.233 -1.185 6.244 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.182 -0.502 6.867 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.866 -2.248 6.901 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.762 -0.878 8.149 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.448 -2.626 8.184 1.00 0.00 C ATOM 191 CZ TYR A 14 5.396 -1.941 8.809 1.00 0.00 C ATOM 192 OH TYR A 14 4.984 -2.313 10.072 1.00 0.00 O ATOM 0 H TYR A 14 6.951 -0.255 2.489 1.00 0.00 H new ATOM 0 HA TYR A 14 5.347 -2.252 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.640 -1.233 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.823 0.305 4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.694 0.316 6.358 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.676 -2.776 6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.951 -0.350 8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.936 -3.445 8.692 1.00 0.00 H new ATOM 0 HH TYR A 14 5.527 -3.067 10.385 1.00 0.00 H new ATOM 202 N GLN A 15 4.288 0.712 3.255 1.00 0.00 N ATOM 203 CA GLN A 15 3.061 1.539 3.309 1.00 0.00 C ATOM 204 C GLN A 15 1.984 0.769 2.547 1.00 0.00 C ATOM 205 O GLN A 15 0.823 0.748 2.912 1.00 0.00 O ATOM 206 CB GLN A 15 3.427 2.863 2.624 1.00 0.00 C ATOM 207 CG GLN A 15 3.052 4.027 3.542 1.00 0.00 C ATOM 208 CD GLN A 15 2.993 5.325 2.734 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.442 5.372 1.605 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.457 6.388 3.267 1.00 0.00 N ATOM 0 H GLN A 15 5.019 1.049 2.629 1.00 0.00 H new ATOM 0 HA GLN A 15 2.690 1.744 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.494 2.888 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.902 2.951 1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.087 3.836 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.784 4.120 4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.080 6.349 4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.415 7.258 2.737 1.00 0.00 H new ATOM 219 N LEU A 16 2.395 0.084 1.511 1.00 0.00 N ATOM 220 CA LEU A 16 1.444 -0.742 0.725 1.00 0.00 C ATOM 221 C LEU A 16 1.155 -2.028 1.501 1.00 0.00 C ATOM 222 O LEU A 16 0.165 -2.696 1.282 1.00 0.00 O ATOM 223 CB LEU A 16 2.187 -1.048 -0.578 1.00 0.00 C ATOM 224 CG LEU A 16 1.238 -0.921 -1.770 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.902 0.552 -2.003 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.919 -1.482 -3.019 1.00 0.00 C ATOM 0 H LEU A 16 3.359 0.065 1.177 1.00 0.00 H new ATOM 0 HA LEU A 16 0.490 -0.249 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.025 -0.362 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.602 -2.055 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 16 0.323 -1.476 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.225 0.641 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.423 0.961 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.818 1.106 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.246 -1.393 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.832 -0.921 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.165 -2.532 -2.859 1.00 0.00 H new ATOM 238 N GLU A 17 2.024 -2.370 2.418 1.00 0.00 N ATOM 239 CA GLU A 17 1.817 -3.609 3.229 1.00 0.00 C ATOM 240 C GLU A 17 0.555 -3.479 4.070 1.00 0.00 C ATOM 241 O GLU A 17 -0.068 -4.460 4.431 1.00 0.00 O ATOM 242 CB GLU A 17 3.034 -3.704 4.144 1.00 0.00 C ATOM 243 CG GLU A 17 4.119 -4.522 3.464 1.00 0.00 C ATOM 244 CD GLU A 17 4.728 -5.506 4.465 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.350 -5.048 5.409 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.564 -6.698 4.268 1.00 0.00 O ATOM 0 H GLU A 17 2.869 -1.844 2.641 1.00 0.00 H new ATOM 0 HA GLU A 17 1.706 -4.491 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.407 -2.706 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.755 -4.167 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.701 -5.064 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.893 -3.862 3.071 1.00 0.00 H new ATOM 253 N ASN A 18 0.166 -2.275 4.386 1.00 0.00 N ATOM 254 CA ASN A 18 -1.060 -2.088 5.212 1.00 0.00 C ATOM 255 C ASN A 18 -2.323 -2.417 4.405 1.00 0.00 C ATOM 256 O ASN A 18 -3.418 -2.062 4.794 1.00 0.00 O ATOM 257 CB ASN A 18 -1.048 -0.611 5.608 1.00 0.00 C ATOM 258 CG ASN A 18 -0.475 -0.461 7.020 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.917 0.376 7.782 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.498 -1.243 7.402 1.00 0.00 N ATOM 0 H ASN A 18 0.641 -1.416 4.110 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.068 -2.749 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.449 -0.039 4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.059 -0.206 5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.887 -1.152 8.340 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.869 -1.946 6.762 1.00 0.00 H new ATOM 267 N TYR A 19 -2.196 -3.083 3.284 1.00 0.00 N ATOM 268 CA TYR A 19 -3.415 -3.400 2.490 1.00 0.00 C ATOM 269 C TYR A 19 -3.577 -4.914 2.302 1.00 0.00 C ATOM 270 O TYR A 19 -4.652 -5.388 1.992 1.00 0.00 O ATOM 271 CB TYR A 19 -3.206 -2.675 1.162 1.00 0.00 C ATOM 272 CG TYR A 19 -3.163 -1.192 1.444 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.301 -0.546 1.946 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.984 -0.469 1.230 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.261 0.825 2.230 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.942 0.903 1.518 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.081 1.549 2.018 1.00 0.00 C ATOM 278 OH TYR A 19 -3.038 2.900 2.302 1.00 0.00 O ATOM 0 H TYR A 19 -1.315 -3.415 2.892 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.331 -3.077 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.278 -3.001 0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.014 -2.908 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.209 -1.106 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.107 -0.967 0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.140 1.323 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.032 1.462 1.355 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.145 3.249 2.099 1.00 0.00 H new ATOM 288 N CYS A 20 -2.540 -5.688 2.497 1.00 0.00 N ATOM 289 CA CYS A 20 -2.690 -7.159 2.336 1.00 0.00 C ATOM 290 C CYS A 20 -2.782 -7.819 3.718 1.00 0.00 C ATOM 291 O CYS A 20 -2.603 -7.177 4.734 1.00 0.00 O ATOM 292 CB CYS A 20 -1.449 -7.670 1.577 1.00 0.00 C ATOM 293 SG CYS A 20 -0.390 -6.312 0.977 1.00 0.00 S ATOM 0 H CYS A 20 -1.608 -5.367 2.758 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.597 -7.403 1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.867 -8.318 2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.769 -8.278 0.731 1.00 0.00 H new ATOM 298 N ASN A 21 -3.067 -9.091 3.765 1.00 0.00 N ATOM 299 CA ASN A 21 -3.178 -9.788 5.081 1.00 0.00 C ATOM 300 C ASN A 21 -4.238 -9.105 5.951 1.00 0.00 C ATOM 301 O ASN A 21 -5.390 -9.494 5.863 1.00 0.00 O ATOM 302 CB ASN A 21 -1.797 -9.660 5.724 1.00 0.00 C ATOM 303 CG ASN A 21 -0.752 -10.336 4.835 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.183 -9.702 4.387 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.871 -11.606 4.560 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.877 -8.204 6.691 1.00 0.00 O ATOM 0 H ASN A 21 -3.228 -9.680 2.948 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.477 -10.830 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.546 -8.609 5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.801 -10.120 6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.179 -12.067 3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.656 -12.138 4.936 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 18.141 1.781 -3.533 1.00 0.00 N ATOM 315 CA PHE B 1 16.827 1.809 -4.237 1.00 0.00 C ATOM 316 C PHE B 1 15.854 2.742 -3.511 1.00 0.00 C ATOM 317 O PHE B 1 16.024 3.050 -2.348 1.00 0.00 O ATOM 318 CB PHE B 1 16.321 0.365 -4.191 1.00 0.00 C ATOM 319 CG PHE B 1 14.848 0.332 -4.524 1.00 0.00 C ATOM 320 CD1 PHE B 1 14.411 0.688 -5.807 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.918 -0.054 -3.549 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.044 0.659 -6.115 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.552 -0.083 -3.857 1.00 0.00 C ATOM 324 CZ PHE B 1 12.114 0.273 -5.140 1.00 0.00 C ATOM 0 H1 PHE B 1 18.877 2.173 -4.155 1.00 0.00 H new ATOM 0 H2 PHE B 1 18.082 2.351 -2.665 1.00 0.00 H new ATOM 0 H3 PHE B 1 18.382 0.800 -3.287 1.00 0.00 H new ATOM 0 HA PHE B 1 16.916 2.178 -5.259 1.00 0.00 H new ATOM 0 HB2 PHE B 1 16.878 -0.249 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE B 1 16.490 -0.058 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE B 1 15.128 0.985 -6.559 1.00 0.00 H new ATOM 0 HD2 PHE B 1 14.255 -0.329 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE B 1 12.707 0.934 -7.104 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.836 -0.380 -3.105 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.061 0.250 -5.377 1.00 0.00 H new ATOM 336 N VAL B 2 14.833 3.190 -4.190 1.00 0.00 N ATOM 337 CA VAL B 2 13.846 4.097 -3.550 1.00 0.00 C ATOM 338 C VAL B 2 12.457 3.827 -4.133 1.00 0.00 C ATOM 339 O VAL B 2 12.303 3.082 -5.079 1.00 0.00 O ATOM 340 CB VAL B 2 14.313 5.510 -3.903 1.00 0.00 C ATOM 341 CG1 VAL B 2 15.602 5.830 -3.145 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.576 5.599 -5.409 1.00 0.00 C ATOM 0 H VAL B 2 14.642 2.964 -5.166 1.00 0.00 H new ATOM 0 HA VAL B 2 13.782 3.955 -2.471 1.00 0.00 H new ATOM 0 HB VAL B 2 13.540 6.226 -3.623 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.933 6.837 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.418 5.767 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL B 2 16.375 5.114 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.909 6.606 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL B 2 15.348 4.881 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.659 5.373 -5.953 1.00 0.00 H new ATOM 352 N ASN B 3 11.446 4.428 -3.578 1.00 0.00 N ATOM 353 CA ASN B 3 10.068 4.209 -4.104 1.00 0.00 C ATOM 354 C ASN B 3 9.619 5.427 -4.917 1.00 0.00 C ATOM 355 O ASN B 3 10.162 6.505 -4.789 1.00 0.00 O ATOM 356 CB ASN B 3 9.189 4.023 -2.864 1.00 0.00 C ATOM 357 CG ASN B 3 8.683 2.580 -2.813 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.228 1.756 -2.106 1.00 0.00 O ATOM 359 ND2 ASN B 3 7.653 2.238 -3.538 1.00 0.00 N ATOM 0 H ASN B 3 11.511 5.063 -2.782 1.00 0.00 H new ATOM 0 HA ASN B 3 10.008 3.347 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.758 4.253 -1.963 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.347 4.715 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.306 1.279 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.195 2.930 -4.132 1.00 0.00 H new ATOM 366 N GLN B 4 8.641 5.258 -5.763 1.00 0.00 N ATOM 367 CA GLN B 4 8.166 6.397 -6.597 1.00 0.00 C ATOM 368 C GLN B 4 6.632 6.504 -6.501 1.00 0.00 C ATOM 369 O GLN B 4 6.024 5.966 -5.582 1.00 0.00 O ATOM 370 CB GLN B 4 8.635 6.024 -8.010 1.00 0.00 C ATOM 371 CG GLN B 4 8.616 7.261 -8.911 1.00 0.00 C ATOM 372 CD GLN B 4 10.036 7.548 -9.402 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.981 7.472 -8.642 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.229 7.878 -10.651 1.00 0.00 N ATOM 0 H GLN B 4 8.149 4.377 -5.913 1.00 0.00 H new ATOM 0 HA GLN B 4 8.550 7.369 -6.288 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.642 5.608 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.988 5.252 -8.425 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.951 7.098 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.228 8.119 -8.362 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.436 7.942 -11.290 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.172 8.072 -10.987 1.00 0.00 H new ATOM 383 N HIS B 5 5.989 7.188 -7.424 1.00 0.00 N ATOM 384 CA HIS B 5 4.506 7.286 -7.355 1.00 0.00 C ATOM 385 C HIS B 5 3.891 6.155 -8.193 1.00 0.00 C ATOM 386 O HIS B 5 4.280 5.924 -9.320 1.00 0.00 O ATOM 387 CB HIS B 5 4.091 8.657 -7.926 1.00 0.00 C ATOM 388 CG HIS B 5 5.217 9.655 -7.835 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.270 10.603 -6.827 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.309 9.893 -8.632 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.356 11.365 -7.039 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.028 10.975 -8.127 1.00 0.00 N ATOM 0 H HIS B 5 6.426 7.673 -8.208 1.00 0.00 H new ATOM 0 HA HIS B 5 4.156 7.193 -6.327 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.788 8.543 -8.967 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.225 9.033 -7.381 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.571 9.329 -9.515 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.650 12.191 -6.408 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.883 11.382 -8.506 1.00 0.00 H new ATOM 400 N LEU B 6 2.962 5.430 -7.635 1.00 0.00 N ATOM 401 CA LEU B 6 2.350 4.287 -8.373 1.00 0.00 C ATOM 402 C LEU B 6 0.854 4.456 -8.653 1.00 0.00 C ATOM 403 O LEU B 6 0.134 3.484 -8.632 1.00 0.00 O ATOM 404 CB LEU B 6 2.518 3.096 -7.435 1.00 0.00 C ATOM 405 CG LEU B 6 3.993 2.825 -7.175 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.179 2.361 -5.730 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.459 1.726 -8.113 1.00 0.00 C ATOM 0 H LEU B 6 2.598 5.580 -6.694 1.00 0.00 H new ATOM 0 HA LEU B 6 2.830 4.186 -9.347 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.007 3.293 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.052 2.213 -7.872 1.00 0.00 H new ATOM 0 HG LEU B 6 4.571 3.734 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.235 2.167 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.827 3.137 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.607 1.448 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.515 1.521 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.879 0.821 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.318 2.045 -9.146 1.00 0.00 H new ATOM 419 N CYS B 7 0.379 5.642 -8.915 1.00 0.00 N ATOM 420 CA CYS B 7 -1.086 5.830 -9.187 1.00 0.00 C ATOM 421 C CYS B 7 -1.813 4.510 -9.480 1.00 0.00 C ATOM 422 O CYS B 7 -1.430 3.752 -10.346 1.00 0.00 O ATOM 423 CB CYS B 7 -1.168 6.775 -10.378 1.00 0.00 C ATOM 424 SG CYS B 7 -2.661 7.768 -10.216 1.00 0.00 S ATOM 0 H CYS B 7 0.938 6.494 -8.954 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.584 6.235 -8.306 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.288 7.417 -10.414 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.188 6.210 -11.310 1.00 0.00 H new ATOM 429 N GLY B 8 -2.842 4.259 -8.712 1.00 0.00 N ATOM 430 CA GLY B 8 -3.671 3.012 -8.820 1.00 0.00 C ATOM 431 C GLY B 8 -3.164 2.013 -9.876 1.00 0.00 C ATOM 432 O GLY B 8 -2.768 0.919 -9.534 1.00 0.00 O ATOM 0 H GLY B 8 -3.157 4.896 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.694 2.518 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.697 3.290 -9.061 1.00 0.00 H new ATOM 436 N SER B 9 -3.183 2.335 -11.147 1.00 0.00 N ATOM 437 CA SER B 9 -2.711 1.334 -12.139 1.00 0.00 C ATOM 438 C SER B 9 -1.317 0.842 -11.766 1.00 0.00 C ATOM 439 O SER B 9 -1.000 -0.335 -11.870 1.00 0.00 O ATOM 440 CB SER B 9 -2.692 2.076 -13.474 1.00 0.00 C ATOM 441 OG SER B 9 -2.303 3.424 -13.254 1.00 0.00 O ATOM 0 H SER B 9 -3.498 3.227 -11.529 1.00 0.00 H new ATOM 0 HA SER B 9 -3.352 0.453 -12.179 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.999 1.593 -14.162 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.678 2.041 -13.937 1.00 0.00 H new ATOM 0 HG SER B 9 -2.288 3.904 -14.108 1.00 0.00 H new ATOM 447 N HIS B 10 -0.491 1.719 -11.287 1.00 0.00 N ATOM 448 CA HIS B 10 0.866 1.286 -10.884 1.00 0.00 C ATOM 449 C HIS B 10 0.741 0.607 -9.539 1.00 0.00 C ATOM 450 O HIS B 10 1.377 -0.388 -9.257 1.00 0.00 O ATOM 451 CB HIS B 10 1.687 2.567 -10.796 1.00 0.00 C ATOM 452 CG HIS B 10 2.520 2.715 -12.039 1.00 0.00 C ATOM 453 ND1 HIS B 10 3.904 2.777 -11.997 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.180 2.817 -13.365 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.343 2.912 -13.261 1.00 0.00 C ATOM 456 NE2 HIS B 10 3.333 2.942 -14.135 1.00 0.00 N ATOM 0 H HIS B 10 -0.694 2.710 -11.158 1.00 0.00 H new ATOM 0 HA HIS B 10 1.337 0.587 -11.575 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.027 3.427 -10.683 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.329 2.540 -9.916 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.172 2.802 -13.752 1.00 0.00 H new ATOM 0 HE1 HIS B 10 5.385 2.987 -13.536 1.00 0.00 H new ATOM 0 HE2 HIS B 10 3.394 3.036 -15.149 1.00 0.00 H new ATOM 464 N LEU B 11 -0.104 1.140 -8.712 1.00 0.00 N ATOM 465 CA LEU B 11 -0.315 0.532 -7.385 1.00 0.00 C ATOM 466 C LEU B 11 -0.915 -0.844 -7.537 1.00 0.00 C ATOM 467 O LEU B 11 -0.412 -1.800 -6.988 1.00 0.00 O ATOM 468 CB LEU B 11 -1.302 1.428 -6.669 1.00 0.00 C ATOM 469 CG LEU B 11 -0.511 2.472 -5.899 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.460 3.429 -5.187 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.355 1.739 -4.876 1.00 0.00 C ATOM 0 H LEU B 11 -0.659 1.975 -8.902 1.00 0.00 H new ATOM 0 HA LEU B 11 0.624 0.436 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.971 1.907 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.925 0.845 -5.991 1.00 0.00 H new ATOM 0 HG LEU B 11 0.111 3.054 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.882 4.173 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.091 3.929 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.086 2.870 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.937 2.463 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.283 1.172 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.031 1.058 -5.393 1.00 0.00 H new ATOM 483 N VAL B 12 -1.987 -0.979 -8.274 1.00 0.00 N ATOM 484 CA VAL B 12 -2.562 -2.320 -8.403 1.00 0.00 C ATOM 485 C VAL B 12 -1.438 -3.277 -8.796 1.00 0.00 C ATOM 486 O VAL B 12 -1.472 -4.447 -8.488 1.00 0.00 O ATOM 487 CB VAL B 12 -3.648 -2.204 -9.478 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.680 -3.459 -10.354 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.009 -2.027 -8.801 1.00 0.00 C ATOM 0 H VAL B 12 -2.468 -0.232 -8.774 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.005 -2.705 -7.484 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.426 -1.343 -10.109 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.458 -3.355 -11.110 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.714 -3.586 -10.842 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.891 -4.330 -9.734 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.786 -1.944 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.214 -2.889 -8.166 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.998 -1.122 -8.193 1.00 0.00 H new ATOM 499 N GLU B 13 -0.428 -2.770 -9.456 1.00 0.00 N ATOM 500 CA GLU B 13 0.713 -3.644 -9.846 1.00 0.00 C ATOM 501 C GLU B 13 1.819 -3.600 -8.771 1.00 0.00 C ATOM 502 O GLU B 13 2.669 -4.472 -8.709 1.00 0.00 O ATOM 503 CB GLU B 13 1.182 -3.084 -11.205 1.00 0.00 C ATOM 504 CG GLU B 13 2.656 -2.654 -11.154 1.00 0.00 C ATOM 505 CD GLU B 13 3.548 -3.895 -11.101 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.048 -4.972 -11.383 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.716 -3.749 -10.780 1.00 0.00 O ATOM 0 H GLU B 13 -0.346 -1.794 -9.739 1.00 0.00 H new ATOM 0 HA GLU B 13 0.439 -4.696 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.048 -3.841 -11.978 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.562 -2.232 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.901 -2.054 -12.030 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.833 -2.028 -10.279 1.00 0.00 H new ATOM 514 N ALA B 14 1.800 -2.623 -7.901 1.00 0.00 N ATOM 515 CA ALA B 14 2.840 -2.566 -6.835 1.00 0.00 C ATOM 516 C ALA B 14 2.238 -3.123 -5.561 1.00 0.00 C ATOM 517 O ALA B 14 2.927 -3.552 -4.656 1.00 0.00 O ATOM 518 CB ALA B 14 3.192 -1.084 -6.665 1.00 0.00 C ATOM 0 H ALA B 14 1.114 -1.868 -7.884 1.00 0.00 H new ATOM 0 HA ALA B 14 3.731 -3.144 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.954 -0.977 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.573 -0.690 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.300 -0.529 -6.374 1.00 0.00 H new ATOM 524 N LEU B 15 0.941 -3.127 -5.501 1.00 0.00 N ATOM 525 CA LEU B 15 0.249 -3.657 -4.316 1.00 0.00 C ATOM 526 C LEU B 15 0.019 -5.153 -4.521 1.00 0.00 C ATOM 527 O LEU B 15 -0.105 -5.907 -3.579 1.00 0.00 O ATOM 528 CB LEU B 15 -1.030 -2.833 -4.292 1.00 0.00 C ATOM 529 CG LEU B 15 -2.203 -3.629 -3.721 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.774 -4.332 -2.435 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.355 -2.672 -3.407 1.00 0.00 C ATOM 0 H LEU B 15 0.327 -2.779 -6.237 1.00 0.00 H new ATOM 0 HA LEU B 15 0.783 -3.577 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.874 -1.935 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.271 -2.505 -5.303 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.523 -4.372 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.614 -4.898 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.949 -5.011 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.453 -3.590 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.195 -3.235 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.025 -1.933 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -3.667 -2.166 -4.321 1.00 0.00 H new ATOM 543 N TYR B 16 0.026 -5.601 -5.751 1.00 0.00 N ATOM 544 CA TYR B 16 -0.118 -7.060 -5.992 1.00 0.00 C ATOM 545 C TYR B 16 1.265 -7.681 -5.864 1.00 0.00 C ATOM 546 O TYR B 16 1.434 -8.770 -5.351 1.00 0.00 O ATOM 547 CB TYR B 16 -0.646 -7.212 -7.433 1.00 0.00 C ATOM 548 CG TYR B 16 0.357 -7.962 -8.302 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.442 -9.362 -8.227 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.206 -7.260 -9.174 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.364 -10.054 -9.021 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.129 -7.955 -9.966 1.00 0.00 C ATOM 553 CZ TYR B 16 2.206 -9.352 -9.891 1.00 0.00 C ATOM 554 OH TYR B 16 3.115 -10.036 -10.673 1.00 0.00 O ATOM 0 H TYR B 16 0.124 -5.024 -6.587 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.796 -7.545 -5.289 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.596 -7.747 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.839 -6.228 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.206 -9.906 -7.555 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.147 -6.183 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.426 -11.131 -8.962 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.782 -7.414 -10.635 1.00 0.00 H new ATOM 0 HH TYR B 16 3.620 -9.399 -11.220 1.00 0.00 H new ATOM 564 N LEU B 17 2.258 -6.997 -6.367 1.00 0.00 N ATOM 565 CA LEU B 17 3.621 -7.563 -6.308 1.00 0.00 C ATOM 566 C LEU B 17 4.022 -7.660 -4.862 1.00 0.00 C ATOM 567 O LEU B 17 4.818 -8.492 -4.474 1.00 0.00 O ATOM 568 CB LEU B 17 4.546 -6.531 -6.947 1.00 0.00 C ATOM 569 CG LEU B 17 5.477 -7.158 -8.009 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.682 -8.658 -7.759 1.00 0.00 C ATOM 571 CD2 LEU B 17 4.863 -6.960 -9.396 1.00 0.00 C ATOM 0 H LEU B 17 2.179 -6.082 -6.810 1.00 0.00 H new ATOM 0 HA LEU B 17 3.670 -8.535 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.947 -5.746 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.149 -6.057 -6.172 1.00 0.00 H new ATOM 0 HG LEU B 17 6.447 -6.665 -7.946 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.342 -9.068 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.130 -8.805 -6.776 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.720 -9.168 -7.799 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.516 -7.401 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU B 17 3.887 -7.444 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.748 -5.894 -9.594 1.00 0.00 H new ATOM 583 N VAL B 18 3.521 -6.761 -4.059 1.00 0.00 N ATOM 584 CA VAL B 18 3.943 -6.779 -2.660 1.00 0.00 C ATOM 585 C VAL B 18 3.156 -7.835 -1.867 1.00 0.00 C ATOM 586 O VAL B 18 3.660 -8.416 -0.926 1.00 0.00 O ATOM 587 CB VAL B 18 3.736 -5.353 -2.127 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.276 -5.126 -1.749 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.617 -5.149 -0.892 1.00 0.00 C ATOM 0 H VAL B 18 2.853 -6.035 -4.318 1.00 0.00 H new ATOM 0 HA VAL B 18 4.990 -7.063 -2.554 1.00 0.00 H new ATOM 0 HB VAL B 18 4.008 -4.641 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.151 -4.110 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.646 -5.269 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.986 -5.837 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.476 -4.139 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.340 -5.872 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.663 -5.291 -1.164 1.00 0.00 H new ATOM 599 N CYS B 19 1.939 -8.121 -2.265 1.00 0.00 N ATOM 600 CA CYS B 19 1.148 -9.183 -1.553 1.00 0.00 C ATOM 601 C CYS B 19 0.833 -10.294 -2.571 1.00 0.00 C ATOM 602 O CYS B 19 1.547 -11.274 -2.663 1.00 0.00 O ATOM 603 CB CYS B 19 -0.158 -8.543 -1.013 1.00 0.00 C ATOM 604 SG CYS B 19 -0.056 -6.742 -0.963 1.00 0.00 S ATOM 0 H CYS B 19 1.460 -7.671 -3.045 1.00 0.00 H new ATOM 0 HA CYS B 19 1.702 -9.606 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.996 -8.842 -1.643 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.361 -8.923 -0.012 1.00 0.00 H new ATOM 609 N GLY B 20 -0.198 -10.137 -3.368 1.00 0.00 N ATOM 610 CA GLY B 20 -0.509 -11.165 -4.404 1.00 0.00 C ATOM 611 C GLY B 20 -0.940 -12.483 -3.772 1.00 0.00 C ATOM 612 O GLY B 20 -2.050 -12.940 -3.961 1.00 0.00 O ATOM 0 H GLY B 20 -0.835 -9.341 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.301 -10.797 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY B 20 0.369 -11.330 -5.029 1.00 0.00 H new ATOM 616 N GLU B 21 -0.069 -13.112 -3.048 1.00 0.00 N ATOM 617 CA GLU B 21 -0.421 -14.423 -2.426 1.00 0.00 C ATOM 618 C GLU B 21 -1.335 -14.230 -1.218 1.00 0.00 C ATOM 619 O GLU B 21 -1.109 -14.785 -0.160 1.00 0.00 O ATOM 620 CB GLU B 21 0.913 -15.038 -2.008 1.00 0.00 C ATOM 621 CG GLU B 21 1.615 -15.616 -3.238 1.00 0.00 C ATOM 622 CD GLU B 21 2.947 -16.240 -2.820 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.919 -17.315 -2.241 1.00 0.00 O ATOM 624 OE2 GLU B 21 3.973 -15.634 -3.087 1.00 0.00 O ATOM 0 H GLU B 21 0.876 -12.780 -2.855 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.966 -15.065 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.543 -14.283 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.749 -15.821 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.982 -16.367 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.785 -14.831 -3.975 1.00 0.00 H new ATOM 631 N ARG B 22 -2.375 -13.466 -1.383 1.00 0.00 N ATOM 632 CA ARG B 22 -3.336 -13.232 -0.266 1.00 0.00 C ATOM 633 C ARG B 22 -4.371 -12.187 -0.676 1.00 0.00 C ATOM 634 O ARG B 22 -5.462 -12.132 -0.142 1.00 0.00 O ATOM 635 CB ARG B 22 -2.498 -12.707 0.900 1.00 0.00 C ATOM 636 CG ARG B 22 -3.069 -13.246 2.213 1.00 0.00 C ATOM 637 CD ARG B 22 -2.886 -14.765 2.267 1.00 0.00 C ATOM 638 NE ARG B 22 -3.448 -15.173 3.584 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.745 -15.922 4.388 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.839 -15.384 5.158 1.00 0.00 N ATOM 641 NH2 ARG B 22 -2.949 -17.211 4.426 1.00 0.00 N ATOM 0 H ARG B 22 -2.605 -12.987 -2.253 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.874 -14.142 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.460 -13.018 0.786 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.505 -11.617 0.907 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.566 -12.779 3.059 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.126 -12.994 2.292 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.409 -15.255 1.446 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.834 -15.039 2.184 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.382 -14.867 3.857 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.680 -14.377 5.132 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.290 -15.971 5.786 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.658 -17.633 3.827 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.399 -17.796 5.055 1.00 0.00 H new ATOM 655 N GLY B 23 -4.033 -11.352 -1.614 1.00 0.00 N ATOM 656 CA GLY B 23 -4.991 -10.302 -2.055 1.00 0.00 C ATOM 657 C GLY B 23 -4.968 -9.150 -1.051 1.00 0.00 C ATOM 658 O GLY B 23 -4.282 -9.203 -0.050 1.00 0.00 O ATOM 0 H GLY B 23 -3.134 -11.350 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.722 -9.941 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.996 -10.717 -2.128 1.00 0.00 H new ATOM 662 N PHE B 24 -5.709 -8.108 -1.305 1.00 0.00 N ATOM 663 CA PHE B 24 -5.722 -6.959 -0.358 1.00 0.00 C ATOM 664 C PHE B 24 -7.080 -6.260 -0.395 1.00 0.00 C ATOM 665 O PHE B 24 -8.064 -6.815 -0.842 1.00 0.00 O ATOM 666 CB PHE B 24 -4.621 -6.021 -0.855 1.00 0.00 C ATOM 667 CG PHE B 24 -4.785 -5.794 -2.339 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.819 -4.975 -2.811 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.901 -6.398 -3.242 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.970 -4.763 -4.188 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.053 -6.186 -4.619 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.087 -5.367 -5.092 1.00 0.00 C ATOM 0 H PHE B 24 -6.305 -8.002 -2.126 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.554 -7.272 0.673 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.671 -5.071 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.641 -6.451 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.499 -4.507 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.102 -7.027 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.768 -4.133 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.373 -6.654 -5.316 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.203 -5.202 -6.153 1.00 0.00 H new ATOM 682 N PHE B 25 -7.139 -5.044 0.071 1.00 0.00 N ATOM 683 CA PHE B 25 -8.432 -4.302 0.065 1.00 0.00 C ATOM 684 C PHE B 25 -8.222 -2.882 -0.466 1.00 0.00 C ATOM 685 O PHE B 25 -8.099 -1.940 0.291 1.00 0.00 O ATOM 686 CB PHE B 25 -8.869 -4.266 1.530 1.00 0.00 C ATOM 687 CG PHE B 25 -10.095 -3.397 1.669 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.214 -3.635 0.862 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.114 -2.353 2.605 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.353 -2.830 0.988 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.255 -1.547 2.731 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.374 -1.785 1.923 1.00 0.00 C ATOM 0 H PHE B 25 -6.347 -4.530 0.457 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.179 -4.773 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.084 -5.275 1.881 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.062 -3.877 2.152 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.199 -4.440 0.142 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.251 -2.170 3.228 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.216 -3.014 0.365 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.271 -0.743 3.451 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.252 -1.164 2.020 1.00 0.00 H new ATOM 702 N TYR B 26 -8.178 -2.718 -1.760 1.00 0.00 N ATOM 703 CA TYR B 26 -7.975 -1.354 -2.326 1.00 0.00 C ATOM 704 C TYR B 26 -8.836 -1.153 -3.583 1.00 0.00 C ATOM 705 O TYR B 26 -8.456 -1.529 -4.675 1.00 0.00 O ATOM 706 CB TYR B 26 -6.484 -1.277 -2.677 1.00 0.00 C ATOM 707 CG TYR B 26 -6.295 -0.220 -3.735 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.821 1.058 -3.527 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.637 -0.525 -4.931 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.688 2.041 -4.512 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.505 0.457 -5.923 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.030 1.742 -5.713 1.00 0.00 C ATOM 713 OH TYR B 26 -5.902 2.708 -6.690 1.00 0.00 O ATOM 0 H TYR B 26 -8.273 -3.466 -2.447 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.267 -0.577 -1.620 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.898 -1.034 -1.790 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.130 -2.242 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.331 1.287 -2.603 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.232 -1.514 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.092 3.029 -4.348 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.999 0.225 -6.849 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.664 3.323 -6.644 1.00 0.00 H new ATOM 723 N THR B 27 -9.989 -0.571 -3.434 1.00 0.00 N ATOM 724 CA THR B 27 -10.877 -0.351 -4.614 1.00 0.00 C ATOM 725 C THR B 27 -11.129 1.147 -4.947 1.00 0.00 C ATOM 726 O THR B 27 -11.683 1.429 -5.991 1.00 0.00 O ATOM 727 CB THR B 27 -12.189 -0.998 -4.199 1.00 0.00 C ATOM 728 OG1 THR B 27 -13.140 -0.878 -5.250 1.00 0.00 O ATOM 729 CG2 THR B 27 -12.697 -0.281 -2.953 1.00 0.00 C ATOM 0 H THR B 27 -10.360 -0.236 -2.545 1.00 0.00 H new ATOM 0 HA THR B 27 -10.421 -0.765 -5.514 1.00 0.00 H new ATOM 0 HB THR B 27 -12.039 -2.057 -3.989 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.962 -0.061 -5.761 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.639 -0.728 -2.635 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.962 -0.376 -2.154 1.00 0.00 H new ATOM 0 HG23 THR B 27 -12.853 0.774 -3.179 1.00 0.00 H new ATOM 737 N PRO B 28 -10.768 2.073 -4.074 1.00 0.00 N ATOM 738 CA PRO B 28 -11.039 3.505 -4.372 1.00 0.00 C ATOM 739 C PRO B 28 -10.119 4.037 -5.469 1.00 0.00 C ATOM 740 O PRO B 28 -9.050 3.514 -5.718 1.00 0.00 O ATOM 741 CB PRO B 28 -10.762 4.213 -3.049 1.00 0.00 C ATOM 742 CG PRO B 28 -9.811 3.324 -2.333 1.00 0.00 C ATOM 743 CD PRO B 28 -10.095 1.915 -2.778 1.00 0.00 C ATOM 0 HA PRO B 28 -12.053 3.663 -4.739 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.333 5.202 -3.212 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -11.679 4.354 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.781 3.599 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.934 3.419 -1.254 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.177 1.336 -2.874 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.728 1.392 -2.062 1.00 0.00 H new ATOM 751 N LYS B 29 -10.537 5.086 -6.121 1.00 0.00 N ATOM 752 CA LYS B 29 -9.710 5.689 -7.206 1.00 0.00 C ATOM 753 C LYS B 29 -9.849 7.213 -7.182 1.00 0.00 C ATOM 754 O LYS B 29 -10.286 7.822 -8.140 1.00 0.00 O ATOM 755 CB LYS B 29 -10.288 5.128 -8.503 1.00 0.00 C ATOM 756 CG LYS B 29 -9.678 3.756 -8.790 1.00 0.00 C ATOM 757 CD LYS B 29 -10.059 3.317 -10.205 1.00 0.00 C ATOM 758 CE LYS B 29 -9.248 4.125 -11.223 1.00 0.00 C ATOM 759 NZ LYS B 29 -7.822 3.779 -10.952 1.00 0.00 N ATOM 0 H LYS B 29 -11.425 5.557 -5.947 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.651 5.457 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.372 5.045 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -10.081 5.809 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.593 3.800 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.036 3.027 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.865 2.252 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.126 3.469 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.529 3.866 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.423 5.194 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -7.293 3.762 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -7.407 4.491 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -7.771 2.843 -10.502 1.00 0.00 H new ATOM 773 N THR B 30 -9.485 7.836 -6.095 1.00 0.00 N ATOM 774 CA THR B 30 -9.601 9.321 -6.010 1.00 0.00 C ATOM 775 C THR B 30 -11.054 9.755 -6.230 1.00 0.00 C ATOM 776 O THR B 30 -11.298 10.480 -7.180 1.00 0.00 O ATOM 777 CB THR B 30 -8.709 9.852 -7.133 1.00 0.00 C ATOM 778 OG1 THR B 30 -7.581 9.001 -7.280 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.243 11.267 -6.791 1.00 0.00 C ATOM 780 OXT THR B 30 -11.896 9.354 -5.444 1.00 0.00 O ATOM 0 H THR B 30 -9.112 7.382 -5.261 1.00 0.00 H new ATOM 0 HA THR B 30 -9.301 9.702 -5.034 1.00 0.00 H new ATOM 0 HB THR B 30 -9.272 9.874 -8.066 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.009 9.338 -8.000 1.00 0.00 H new ATOM 0 HG21 THR B 30 -7.607 11.644 -7.592 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.110 11.918 -6.678 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.679 11.249 -5.858 1.00 0.00 H new TER 788 THR B 30