USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 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= -1.56! K(o=-1.7!,f=1.4) USER MOD Set 1.2: A 19 TYR OH : rot 90:sc= -0.129 USER MOD Single : A 1 GLY N :NH3+ -157:sc= 0.0538 (180deg=0.00234) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0049 USER MOD Single : A 9 SER OG : rot 180:sc= -1.03! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.94! K(o=-2.9!,f=-0.37) USER MOD Single : A 18 ASN : amide:sc= -4.31! K(o=-4.3!,f=-2.1) USER MOD Single : A 21 ASN : amide:sc= -3.75! C(o=-3.7!,f=-13!) USER MOD Single : B 24 ASN : amide:sc= -1.64! C(o=-1.6!,f=-5.3!) USER MOD Single : B 25 GLN : amide:sc= -0.58 K(o=-0.58,f=0) USER MOD Single : B 26 HIS : no HD1:sc= -4.96 K(o=-5,f=-3.6!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -24:sc= -0.82 USER MOD Single : B 47 TYR OH : rot 180:sc= -0.802 USER MOD Single : B 48 THR OG1 : rot -74:sc= 1.11 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.372 4.467 2.290 1.00 0.00 N ATOM 2 CA GLY A 1 -8.637 3.599 1.268 1.00 0.00 C ATOM 3 C GLY A 1 -7.174 3.781 1.061 1.00 0.00 C ATOM 4 O GLY A 1 -6.579 4.719 1.552 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.241 3.984 2.594 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.759 4.627 3.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.617 5.381 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.799 2.558 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.123 3.749 0.304 1.00 0.00 H new ATOM 10 N ILE A 2 -6.554 2.893 0.334 1.00 0.00 N ATOM 11 CA ILE A 2 -5.090 3.020 0.092 1.00 0.00 C ATOM 12 C ILE A 2 -4.831 4.153 -0.899 1.00 0.00 C ATOM 13 O ILE A 2 -3.855 4.870 -0.802 1.00 0.00 O ATOM 14 CB ILE A 2 -4.552 1.703 -0.477 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.040 1.839 -0.712 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.256 1.378 -1.800 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.394 0.470 -1.004 1.00 0.00 C ATOM 0 H ILE A 2 -6.998 2.085 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.584 3.242 1.031 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.743 0.896 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.859 2.515 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.572 2.285 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.868 0.440 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.328 1.283 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.073 2.179 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.324 0.600 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.555 -0.196 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.846 0.037 -1.896 1.00 0.00 H new ATOM 29 N VAL A 3 -5.701 4.316 -1.850 1.00 0.00 N ATOM 30 CA VAL A 3 -5.527 5.390 -2.856 1.00 0.00 C ATOM 31 C VAL A 3 -5.361 6.730 -2.155 1.00 0.00 C ATOM 32 O VAL A 3 -4.588 7.572 -2.567 1.00 0.00 O ATOM 33 CB VAL A 3 -6.776 5.435 -3.728 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.496 6.281 -4.958 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.152 4.015 -4.153 1.00 0.00 C ATOM 0 H VAL A 3 -6.536 3.743 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.643 5.192 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.602 5.872 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.387 6.317 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.228 7.292 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.672 5.842 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.045 4.046 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.330 3.575 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.349 3.410 -3.268 1.00 0.00 H new ATOM 45 N GLU A 4 -6.096 6.939 -1.109 1.00 0.00 N ATOM 46 CA GLU A 4 -6.004 8.235 -0.386 1.00 0.00 C ATOM 47 C GLU A 4 -4.692 8.313 0.403 1.00 0.00 C ATOM 48 O GLU A 4 -4.242 9.378 0.767 1.00 0.00 O ATOM 49 CB GLU A 4 -7.197 8.366 0.567 1.00 0.00 C ATOM 50 CG GLU A 4 -8.447 7.773 -0.095 1.00 0.00 C ATOM 51 CD GLU A 4 -9.700 8.274 0.629 1.00 0.00 C ATOM 52 OE1 GLU A 4 -10.320 7.479 1.316 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.018 9.443 0.483 1.00 0.00 O ATOM 0 H GLU A 4 -6.759 6.269 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.021 9.051 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.987 7.848 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.366 9.414 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.484 8.058 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.407 6.684 -0.062 1.00 0.00 H new ATOM 60 N GLN A 5 -4.077 7.197 0.684 1.00 0.00 N ATOM 61 CA GLN A 5 -2.801 7.223 1.462 1.00 0.00 C ATOM 62 C GLN A 5 -1.594 7.302 0.518 1.00 0.00 C ATOM 63 O GLN A 5 -0.599 7.929 0.823 1.00 0.00 O ATOM 64 CB GLN A 5 -2.698 5.947 2.300 1.00 0.00 C ATOM 65 CG GLN A 5 -3.916 5.840 3.220 1.00 0.00 C ATOM 66 CD GLN A 5 -3.907 4.483 3.923 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.782 4.187 4.712 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.946 3.639 3.669 1.00 0.00 N ATOM 0 H GLN A 5 -4.400 6.269 0.410 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.801 8.101 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.644 5.075 1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.782 5.961 2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.900 6.643 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.833 5.956 2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.211 3.887 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.929 2.731 4.133 1.00 0.00 H new ATOM 77 N CYS A 6 -1.656 6.641 -0.608 1.00 0.00 N ATOM 78 CA CYS A 6 -0.504 6.638 -1.552 1.00 0.00 C ATOM 79 C CYS A 6 -0.652 7.715 -2.633 1.00 0.00 C ATOM 80 O CYS A 6 0.328 8.196 -3.165 1.00 0.00 O ATOM 81 CB CYS A 6 -0.450 5.264 -2.201 1.00 0.00 C ATOM 82 SG CYS A 6 -0.744 4.009 -0.932 1.00 0.00 S ATOM 0 H CYS A 6 -2.464 6.099 -0.915 1.00 0.00 H new ATOM 0 HA CYS A 6 0.413 6.857 -1.005 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.201 5.188 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.521 5.106 -2.670 1.00 0.00 H new ATOM 87 N CYS A 7 -1.852 8.098 -2.974 1.00 0.00 N ATOM 88 CA CYS A 7 -2.023 9.144 -4.034 1.00 0.00 C ATOM 89 C CYS A 7 -2.065 10.528 -3.390 1.00 0.00 C ATOM 90 O CYS A 7 -1.244 11.378 -3.672 1.00 0.00 O ATOM 91 CB CYS A 7 -3.325 8.883 -4.800 1.00 0.00 C ATOM 92 SG CYS A 7 -3.326 9.785 -6.379 1.00 0.00 S ATOM 0 H CYS A 7 -2.717 7.738 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.183 9.102 -4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.437 7.815 -4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.178 9.194 -4.196 1.00 0.00 H new ATOM 97 N THR A 8 -3.003 10.762 -2.520 1.00 0.00 N ATOM 98 CA THR A 8 -3.082 12.083 -1.857 1.00 0.00 C ATOM 99 C THR A 8 -1.848 12.261 -0.986 1.00 0.00 C ATOM 100 O THR A 8 -1.557 13.335 -0.499 1.00 0.00 O ATOM 101 CB THR A 8 -4.321 12.116 -0.968 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.429 11.577 -1.676 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.614 13.552 -0.571 1.00 0.00 C ATOM 0 H THR A 8 -3.719 10.092 -2.241 1.00 0.00 H new ATOM 0 HA THR A 8 -3.137 12.877 -2.602 1.00 0.00 H new ATOM 0 HB THR A 8 -4.146 11.520 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.224 11.597 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.499 13.580 0.065 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.763 13.960 -0.026 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.791 14.148 -1.466 1.00 0.00 H new ATOM 111 N SER A 9 -1.141 11.196 -0.765 1.00 0.00 N ATOM 112 CA SER A 9 0.057 11.264 0.098 1.00 0.00 C ATOM 113 C SER A 9 0.973 10.081 -0.229 1.00 0.00 C ATOM 114 O SER A 9 0.566 9.138 -0.866 1.00 0.00 O ATOM 115 CB SER A 9 -0.415 11.191 1.550 1.00 0.00 C ATOM 116 OG SER A 9 -1.667 11.854 1.663 1.00 0.00 O ATOM 0 H SER A 9 -1.345 10.274 -1.150 1.00 0.00 H new ATOM 0 HA SER A 9 0.613 12.188 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.510 10.151 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.318 11.657 2.208 1.00 0.00 H new ATOM 0 HG SER A 9 -1.978 11.811 2.591 1.00 0.00 H new ATOM 122 N ILE A 10 2.204 10.121 0.191 1.00 0.00 N ATOM 123 CA ILE A 10 3.129 8.991 -0.116 1.00 0.00 C ATOM 124 C ILE A 10 2.910 7.856 0.887 1.00 0.00 C ATOM 125 O ILE A 10 2.761 8.078 2.073 1.00 0.00 O ATOM 126 CB ILE A 10 4.567 9.497 -0.037 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.763 10.598 -1.077 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.544 8.357 -0.328 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.049 11.365 -0.776 1.00 0.00 C ATOM 0 H ILE A 10 2.612 10.883 0.732 1.00 0.00 H new ATOM 0 HA ILE A 10 2.932 8.610 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 10 4.757 9.883 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.812 10.164 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.911 11.278 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.566 8.730 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.405 7.562 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.358 7.965 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.187 12.150 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.982 11.812 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.897 10.681 -0.809 1.00 0.00 H new ATOM 141 N CYS A 11 2.882 6.637 0.413 1.00 0.00 N ATOM 142 CA CYS A 11 2.663 5.469 1.324 1.00 0.00 C ATOM 143 C CYS A 11 4.009 4.849 1.704 1.00 0.00 C ATOM 144 O CYS A 11 5.030 5.137 1.110 1.00 0.00 O ATOM 145 CB CYS A 11 1.819 4.409 0.597 1.00 0.00 C ATOM 146 SG CYS A 11 0.062 4.810 0.739 1.00 0.00 S ATOM 0 H CYS A 11 3.002 6.397 -0.571 1.00 0.00 H new ATOM 0 HA CYS A 11 2.148 5.808 2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.106 4.362 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.011 3.425 1.024 1.00 0.00 H new ATOM 151 N SER A 12 3.999 3.973 2.677 1.00 0.00 N ATOM 152 CA SER A 12 5.251 3.279 3.108 1.00 0.00 C ATOM 153 C SER A 12 5.060 1.781 2.882 1.00 0.00 C ATOM 154 O SER A 12 3.973 1.258 3.031 1.00 0.00 O ATOM 155 CB SER A 12 5.509 3.551 4.590 1.00 0.00 C ATOM 156 OG SER A 12 5.774 4.936 4.775 1.00 0.00 O ATOM 0 H SER A 12 3.164 3.706 3.198 1.00 0.00 H new ATOM 0 HA SER A 12 6.104 3.643 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.644 3.252 5.182 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.354 2.958 4.939 1.00 0.00 H new ATOM 0 HG SER A 12 5.938 5.114 5.725 1.00 0.00 H new ATOM 162 N LEU A 13 6.099 1.090 2.506 1.00 0.00 N ATOM 163 CA LEU A 13 5.985 -0.371 2.248 1.00 0.00 C ATOM 164 C LEU A 13 5.149 -1.041 3.346 1.00 0.00 C ATOM 165 O LEU A 13 4.435 -1.986 3.097 1.00 0.00 O ATOM 166 CB LEU A 13 7.408 -0.969 2.221 1.00 0.00 C ATOM 167 CG LEU A 13 7.529 -2.067 1.151 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.291 -1.479 -0.259 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.932 -2.681 1.237 1.00 0.00 C ATOM 0 H LEU A 13 7.031 1.479 2.365 1.00 0.00 H new ATOM 0 HA LEU A 13 5.488 -0.544 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.133 -0.180 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.650 -1.383 3.200 1.00 0.00 H new ATOM 0 HG LEU A 13 6.775 -2.834 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.381 -2.270 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.292 -1.046 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.032 -0.706 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.034 -3.462 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.679 -1.907 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.081 -3.110 2.228 1.00 0.00 H new ATOM 181 N TYR A 14 5.226 -0.567 4.554 1.00 0.00 N ATOM 182 CA TYR A 14 4.421 -1.212 5.630 1.00 0.00 C ATOM 183 C TYR A 14 2.933 -1.014 5.319 1.00 0.00 C ATOM 184 O TYR A 14 2.115 -1.875 5.577 1.00 0.00 O ATOM 185 CB TYR A 14 4.807 -0.606 7.004 1.00 0.00 C ATOM 186 CG TYR A 14 3.683 0.237 7.575 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.791 1.624 7.593 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.544 -0.383 8.089 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.759 2.403 8.129 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.508 0.388 8.624 1.00 0.00 C ATOM 191 CZ TYR A 14 1.615 1.783 8.645 1.00 0.00 C ATOM 192 OH TYR A 14 0.594 2.546 9.174 1.00 0.00 O ATOM 0 H TYR A 14 5.800 0.225 4.843 1.00 0.00 H new ATOM 0 HA TYR A 14 4.625 -2.282 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.052 -1.408 7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.703 0.006 6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.673 2.101 7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.463 -1.460 8.074 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.845 3.479 8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.626 -0.093 9.021 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.125 1.958 9.487 1.00 0.00 H new ATOM 202 N GLN A 15 2.579 0.111 4.763 1.00 0.00 N ATOM 203 CA GLN A 15 1.155 0.353 4.436 1.00 0.00 C ATOM 204 C GLN A 15 0.813 -0.433 3.177 1.00 0.00 C ATOM 205 O GLN A 15 -0.292 -0.891 2.999 1.00 0.00 O ATOM 206 CB GLN A 15 0.922 1.843 4.177 1.00 0.00 C ATOM 207 CG GLN A 15 1.485 2.667 5.331 1.00 0.00 C ATOM 208 CD GLN A 15 1.386 4.150 4.982 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.758 5.000 5.767 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.895 4.496 3.826 1.00 0.00 N ATOM 0 H GLN A 15 3.217 0.870 4.523 1.00 0.00 H new ATOM 0 HA GLN A 15 0.527 0.037 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.399 2.137 3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.144 2.039 4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.932 2.459 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.524 2.393 5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.584 3.780 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.822 5.483 3.578 1.00 0.00 H new ATOM 219 N LEU A 16 1.766 -0.582 2.298 1.00 0.00 N ATOM 220 CA LEU A 16 1.527 -1.330 1.040 1.00 0.00 C ATOM 221 C LEU A 16 1.468 -2.828 1.346 1.00 0.00 C ATOM 222 O LEU A 16 0.550 -3.519 0.951 1.00 0.00 O ATOM 223 CB LEU A 16 2.692 -1.024 0.078 1.00 0.00 C ATOM 224 CG LEU A 16 2.238 -1.046 -1.391 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.105 -0.030 -1.631 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.441 -0.720 -2.303 1.00 0.00 C ATOM 0 H LEU A 16 2.710 -0.211 2.403 1.00 0.00 H new ATOM 0 HA LEU A 16 0.583 -1.033 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.112 -0.046 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.486 -1.756 0.224 1.00 0.00 H new ATOM 0 HG LEU A 16 1.857 -2.040 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.801 -0.064 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.253 -0.278 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.458 0.972 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.122 -0.735 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.827 0.269 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.224 -1.464 -2.152 1.00 0.00 H new ATOM 238 N GLU A 17 2.439 -3.331 2.054 1.00 0.00 N ATOM 239 CA GLU A 17 2.431 -4.782 2.392 1.00 0.00 C ATOM 240 C GLU A 17 1.188 -5.066 3.226 1.00 0.00 C ATOM 241 O GLU A 17 0.702 -6.177 3.302 1.00 0.00 O ATOM 242 CB GLU A 17 3.676 -5.125 3.217 1.00 0.00 C ATOM 243 CG GLU A 17 4.942 -4.785 2.419 1.00 0.00 C ATOM 244 CD GLU A 17 6.120 -4.566 3.375 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.786 -5.536 3.695 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.335 -3.431 3.768 1.00 0.00 O ATOM 0 H GLU A 17 3.235 -2.804 2.412 1.00 0.00 H new ATOM 0 HA GLU A 17 2.429 -5.380 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.666 -4.569 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.672 -6.184 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.172 -5.593 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.776 -3.888 1.822 1.00 0.00 H new ATOM 253 N ASN A 18 0.686 -4.049 3.859 1.00 0.00 N ATOM 254 CA ASN A 18 -0.521 -4.196 4.718 1.00 0.00 C ATOM 255 C ASN A 18 -1.731 -4.616 3.858 1.00 0.00 C ATOM 256 O ASN A 18 -2.575 -5.370 4.299 1.00 0.00 O ATOM 257 CB ASN A 18 -0.770 -2.835 5.411 1.00 0.00 C ATOM 258 CG ASN A 18 -0.429 -2.899 6.893 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.748 -3.861 7.564 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.210 -1.907 7.435 1.00 0.00 N ATOM 0 H ASN A 18 1.066 -3.103 3.818 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.374 -4.970 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.168 -2.064 4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.814 -2.547 5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.446 -1.933 8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.476 -1.101 6.869 1.00 0.00 H new ATOM 267 N TYR A 19 -1.823 -4.149 2.635 1.00 0.00 N ATOM 268 CA TYR A 19 -2.981 -4.548 1.772 1.00 0.00 C ATOM 269 C TYR A 19 -2.668 -5.879 1.093 1.00 0.00 C ATOM 270 O TYR A 19 -3.507 -6.465 0.438 1.00 0.00 O ATOM 271 CB TYR A 19 -3.230 -3.477 0.709 1.00 0.00 C ATOM 272 CG TYR A 19 -3.611 -2.182 1.387 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.924 -1.974 1.829 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.646 -1.195 1.579 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.266 -0.775 2.467 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.985 0.006 2.215 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.295 0.215 2.662 1.00 0.00 C ATOM 278 OH TYR A 19 -4.630 1.397 3.290 1.00 0.00 O ATOM 0 H TYR A 19 -1.153 -3.515 2.200 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.873 -4.652 2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.335 -3.334 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.025 -3.795 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.672 -2.738 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.635 -1.357 1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.278 -0.614 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.236 0.770 2.360 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.494 1.304 4.256 1.00 0.00 H new ATOM 288 N CYS A 20 -1.463 -6.365 1.246 1.00 0.00 N ATOM 289 CA CYS A 20 -1.082 -7.663 0.616 1.00 0.00 C ATOM 290 C CYS A 20 -1.172 -8.780 1.654 1.00 0.00 C ATOM 291 O CYS A 20 -0.907 -8.581 2.822 1.00 0.00 O ATOM 292 CB CYS A 20 0.345 -7.568 0.083 1.00 0.00 C ATOM 293 SG CYS A 20 0.947 -9.220 -0.332 1.00 0.00 S ATOM 0 H CYS A 20 -0.723 -5.915 1.784 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.761 -7.883 -0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.373 -6.928 -0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.994 -7.110 0.830 1.00 0.00 H new ATOM 298 N ASN A 21 -1.548 -9.955 1.232 1.00 0.00 N ATOM 299 CA ASN A 21 -1.661 -11.090 2.184 1.00 0.00 C ATOM 300 C ASN A 21 -0.279 -11.713 2.403 1.00 0.00 C ATOM 301 O ASN A 21 0.576 -11.032 2.944 1.00 0.00 O ATOM 302 CB ASN A 21 -2.613 -12.131 1.594 1.00 0.00 C ATOM 303 CG ASN A 21 -2.336 -12.284 0.102 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.277 -11.924 -0.369 1.00 0.00 O ATOM 305 ND2 ASN A 21 -3.247 -12.811 -0.667 1.00 0.00 N ATOM 306 OXT ASN A 21 -0.101 -12.859 2.027 1.00 0.00 O ATOM 0 H ASN A 21 -1.782 -10.177 0.264 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.046 -10.739 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.481 -13.088 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.647 -11.826 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.070 -12.921 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.137 -13.113 -0.270 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.067 0.877 -0.652 1.00 0.00 N ATOM 315 CA PHE B 22 11.074 1.380 -1.643 1.00 0.00 C ATOM 316 C PHE B 22 11.199 2.904 -1.748 1.00 0.00 C ATOM 317 O PHE B 22 11.564 3.571 -0.801 1.00 0.00 O ATOM 318 CB PHE B 22 9.657 0.992 -1.179 1.00 0.00 C ATOM 319 CG PHE B 22 8.736 0.859 -2.372 1.00 0.00 C ATOM 320 CD1 PHE B 22 7.934 1.937 -2.769 1.00 0.00 C ATOM 321 CD2 PHE B 22 8.688 -0.346 -3.083 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.087 1.809 -3.875 1.00 0.00 C ATOM 323 CE2 PHE B 22 7.840 -0.473 -4.189 1.00 0.00 C ATOM 324 CZ PHE B 22 7.040 0.604 -4.585 1.00 0.00 C ATOM 0 HA PHE B 22 11.261 0.938 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE B 22 9.691 0.051 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE B 22 9.271 1.747 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE B 22 7.970 2.867 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE B 22 9.306 -1.178 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE B 22 6.469 2.640 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE B 22 7.803 -1.403 -4.737 1.00 0.00 H new ATOM 0 HZ PHE B 22 6.386 0.506 -5.439 1.00 0.00 H new ATOM 336 N VAL B 23 10.906 3.462 -2.892 1.00 0.00 N ATOM 337 CA VAL B 23 11.020 4.940 -3.044 1.00 0.00 C ATOM 338 C VAL B 23 9.811 5.626 -2.414 1.00 0.00 C ATOM 339 O VAL B 23 8.732 5.072 -2.351 1.00 0.00 O ATOM 340 CB VAL B 23 11.075 5.313 -4.527 1.00 0.00 C ATOM 341 CG1 VAL B 23 9.723 5.010 -5.187 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.374 6.809 -4.650 1.00 0.00 C ATOM 0 H VAL B 23 10.594 2.961 -3.724 1.00 0.00 H new ATOM 0 HA VAL B 23 11.933 5.267 -2.546 1.00 0.00 H new ATOM 0 HB VAL B 23 11.854 4.734 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.766 5.277 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL B 23 9.501 3.947 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL B 23 8.941 5.590 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.416 7.086 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.588 7.379 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.332 7.028 -4.179 1.00 0.00 H new ATOM 352 N ASN B 24 9.979 6.839 -1.965 1.00 0.00 N ATOM 353 CA ASN B 24 8.844 7.583 -1.356 1.00 0.00 C ATOM 354 C ASN B 24 8.243 8.508 -2.422 1.00 0.00 C ATOM 355 O ASN B 24 8.697 9.617 -2.627 1.00 0.00 O ATOM 356 CB ASN B 24 9.359 8.412 -0.171 1.00 0.00 C ATOM 357 CG ASN B 24 10.573 7.733 0.461 1.00 0.00 C ATOM 358 OD1 ASN B 24 10.790 6.550 0.283 1.00 0.00 O ATOM 359 ND2 ASN B 24 11.376 8.438 1.205 1.00 0.00 N ATOM 0 H ASN B 24 10.862 7.350 -1.995 1.00 0.00 H new ATOM 0 HA ASN B 24 8.082 6.890 -0.998 1.00 0.00 H new ATOM 0 HB2 ASN B 24 9.628 9.413 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN B 24 8.570 8.527 0.572 1.00 0.00 H new ATOM 0 HD21 ASN B 24 12.187 7.998 1.639 1.00 0.00 H new ATOM 0 HD22 ASN B 24 11.194 9.430 1.354 1.00 0.00 H new ATOM 366 N GLN B 25 7.232 8.055 -3.107 1.00 0.00 N ATOM 367 CA GLN B 25 6.599 8.898 -4.170 1.00 0.00 C ATOM 368 C GLN B 25 5.083 8.701 -4.159 1.00 0.00 C ATOM 369 O GLN B 25 4.588 7.623 -3.900 1.00 0.00 O ATOM 370 CB GLN B 25 7.161 8.484 -5.536 1.00 0.00 C ATOM 371 CG GLN B 25 6.638 9.418 -6.633 1.00 0.00 C ATOM 372 CD GLN B 25 6.887 8.777 -7.987 1.00 0.00 C ATOM 373 OE1 GLN B 25 6.137 8.977 -8.922 1.00 0.00 O ATOM 374 NE2 GLN B 25 7.921 8.007 -8.129 1.00 0.00 N ATOM 0 H GLN B 25 6.812 7.134 -2.979 1.00 0.00 H new ATOM 0 HA GLN B 25 6.820 9.948 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.250 8.514 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN B 25 6.875 7.456 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.573 9.603 -6.494 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.139 10.384 -6.576 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.547 7.843 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.108 7.566 -9.029 1.00 0.00 H new ATOM 383 N HIS B 26 4.341 9.743 -4.442 1.00 0.00 N ATOM 384 CA HIS B 26 2.860 9.621 -4.454 1.00 0.00 C ATOM 385 C HIS B 26 2.442 8.749 -5.639 1.00 0.00 C ATOM 386 O HIS B 26 2.553 9.149 -6.781 1.00 0.00 O ATOM 387 CB HIS B 26 2.228 11.006 -4.624 1.00 0.00 C ATOM 388 CG HIS B 26 2.753 11.959 -3.584 1.00 0.00 C ATOM 389 ND1 HIS B 26 1.930 12.530 -2.621 1.00 0.00 N ATOM 390 CD2 HIS B 26 4.006 12.472 -3.358 1.00 0.00 C ATOM 391 CE1 HIS B 26 2.691 13.347 -1.869 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.961 13.347 -2.278 1.00 0.00 N ATOM 0 H HIS B 26 4.702 10.671 -4.665 1.00 0.00 H new ATOM 0 HA HIS B 26 2.528 9.176 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.445 11.391 -5.620 1.00 0.00 H new ATOM 0 HB3 HIS B 26 1.144 10.930 -4.541 1.00 0.00 H new ATOM 0 HD2 HIS B 26 4.890 12.233 -3.930 1.00 0.00 H new ATOM 0 HE1 HIS B 26 2.320 13.929 -1.039 1.00 0.00 H new ATOM 0 HE2 HIS B 26 4.737 13.878 -1.882 1.00 0.00 H new ATOM 401 N LEU B 27 1.967 7.561 -5.385 1.00 0.00 N ATOM 402 CA LEU B 27 1.547 6.667 -6.500 1.00 0.00 C ATOM 403 C LEU B 27 0.059 6.858 -6.789 1.00 0.00 C ATOM 404 O LEU B 27 -0.724 7.162 -5.914 1.00 0.00 O ATOM 405 CB LEU B 27 1.777 5.211 -6.106 1.00 0.00 C ATOM 406 CG LEU B 27 3.183 5.025 -5.517 1.00 0.00 C ATOM 407 CD1 LEU B 27 3.245 3.701 -4.760 1.00 0.00 C ATOM 408 CD2 LEU B 27 4.213 5.008 -6.645 1.00 0.00 C ATOM 0 H LEU B 27 1.851 7.170 -4.450 1.00 0.00 H new ATOM 0 HA LEU B 27 2.133 6.915 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.028 4.904 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.655 4.569 -6.978 1.00 0.00 H new ATOM 0 HG LEU B 27 3.401 5.848 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.243 3.568 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.511 3.708 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU B 27 3.026 2.881 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.210 4.876 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.994 4.185 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.171 5.951 -7.190 1.00 0.00 H new ATOM 420 N CYS B 28 -0.330 6.651 -8.012 1.00 0.00 N ATOM 421 CA CYS B 28 -1.760 6.791 -8.391 1.00 0.00 C ATOM 422 C CYS B 28 -2.012 5.944 -9.639 1.00 0.00 C ATOM 423 O CYS B 28 -1.123 5.279 -10.132 1.00 0.00 O ATOM 424 CB CYS B 28 -2.072 8.256 -8.697 1.00 0.00 C ATOM 425 SG CYS B 28 -1.587 9.293 -7.294 1.00 0.00 S ATOM 0 H CYS B 28 0.291 6.387 -8.777 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.398 6.458 -7.573 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.540 8.571 -9.595 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -3.136 8.376 -8.899 1.00 0.00 H new ATOM 430 N GLY B 29 -3.207 5.956 -10.159 1.00 0.00 N ATOM 431 CA GLY B 29 -3.486 5.142 -11.376 1.00 0.00 C ATOM 432 C GLY B 29 -2.987 3.715 -11.157 1.00 0.00 C ATOM 433 O GLY B 29 -3.042 3.187 -10.064 1.00 0.00 O ATOM 0 H GLY B 29 -3.998 6.490 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -4.556 5.137 -11.586 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.993 5.583 -12.243 1.00 0.00 H new ATOM 437 N SER B 30 -2.502 3.084 -12.188 1.00 0.00 N ATOM 438 CA SER B 30 -2.002 1.688 -12.037 1.00 0.00 C ATOM 439 C SER B 30 -0.642 1.693 -11.327 1.00 0.00 C ATOM 440 O SER B 30 -0.218 0.693 -10.784 1.00 0.00 O ATOM 441 CB SER B 30 -1.862 1.038 -13.415 1.00 0.00 C ATOM 442 OG SER B 30 -2.967 1.416 -14.226 1.00 0.00 O ATOM 0 H SER B 30 -2.430 3.473 -13.128 1.00 0.00 H new ATOM 0 HA SER B 30 -2.714 1.118 -11.440 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.929 1.349 -13.884 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.823 -0.047 -13.316 1.00 0.00 H new ATOM 0 HG SER B 30 -2.880 1.003 -15.110 1.00 0.00 H new ATOM 448 N ASP B 31 0.044 2.809 -11.318 1.00 0.00 N ATOM 449 CA ASP B 31 1.371 2.861 -10.629 1.00 0.00 C ATOM 450 C ASP B 31 1.228 2.240 -9.240 1.00 0.00 C ATOM 451 O ASP B 31 1.893 1.284 -8.896 1.00 0.00 O ATOM 452 CB ASP B 31 1.823 4.317 -10.485 1.00 0.00 C ATOM 453 CG ASP B 31 1.738 5.015 -11.843 1.00 0.00 C ATOM 454 OD1 ASP B 31 0.631 5.303 -12.270 1.00 0.00 O ATOM 455 OD2 ASP B 31 2.779 5.249 -12.433 1.00 0.00 O ATOM 0 H ASP B 31 -0.255 3.681 -11.755 1.00 0.00 H new ATOM 0 HA ASP B 31 2.109 2.312 -11.213 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.195 4.834 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.845 4.356 -10.108 1.00 0.00 H new ATOM 460 N LEU B 32 0.344 2.777 -8.453 1.00 0.00 N ATOM 461 CA LEU B 32 0.113 2.232 -7.089 1.00 0.00 C ATOM 462 C LEU B 32 -0.088 0.720 -7.188 1.00 0.00 C ATOM 463 O LEU B 32 0.606 -0.052 -6.558 1.00 0.00 O ATOM 464 CB LEU B 32 -1.146 2.900 -6.530 1.00 0.00 C ATOM 465 CG LEU B 32 -1.606 2.221 -5.241 1.00 0.00 C ATOM 466 CD1 LEU B 32 -0.483 2.251 -4.201 1.00 0.00 C ATOM 467 CD2 LEU B 32 -2.815 2.978 -4.706 1.00 0.00 C ATOM 0 H LEU B 32 -0.236 3.580 -8.698 1.00 0.00 H new ATOM 0 HA LEU B 32 0.961 2.430 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.947 3.954 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.944 2.857 -7.272 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.867 1.182 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.821 1.765 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.388 1.725 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.215 3.285 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.160 2.509 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.537 4.012 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.615 2.955 -5.446 1.00 0.00 H new ATOM 479 N VAL B 33 -1.033 0.291 -7.981 1.00 0.00 N ATOM 480 CA VAL B 33 -1.276 -1.170 -8.126 1.00 0.00 C ATOM 481 C VAL B 33 0.036 -1.872 -8.419 1.00 0.00 C ATOM 482 O VAL B 33 0.452 -2.762 -7.704 1.00 0.00 O ATOM 483 CB VAL B 33 -2.219 -1.425 -9.305 1.00 0.00 C ATOM 484 CG1 VAL B 33 -2.146 -2.907 -9.724 1.00 0.00 C ATOM 485 CG2 VAL B 33 -3.642 -1.071 -8.893 1.00 0.00 C ATOM 0 H VAL B 33 -1.646 0.890 -8.534 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.716 -1.546 -7.202 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.921 -0.806 -10.151 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.819 -3.081 -10.563 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.126 -3.152 -10.020 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.441 -3.537 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.318 -1.251 -9.729 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.940 -1.689 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.688 -0.020 -8.609 1.00 0.00 H new ATOM 495 N GLU B 34 0.664 -1.491 -9.498 1.00 0.00 N ATOM 496 CA GLU B 34 1.933 -2.131 -9.901 1.00 0.00 C ATOM 497 C GLU B 34 2.792 -2.354 -8.660 1.00 0.00 C ATOM 498 O GLU B 34 3.379 -3.400 -8.479 1.00 0.00 O ATOM 499 CB GLU B 34 2.649 -1.212 -10.894 1.00 0.00 C ATOM 500 CG GLU B 34 2.181 -1.507 -12.324 1.00 0.00 C ATOM 501 CD GLU B 34 2.936 -0.607 -13.304 1.00 0.00 C ATOM 502 OE1 GLU B 34 2.283 0.124 -14.031 1.00 0.00 O ATOM 503 OE2 GLU B 34 4.155 -0.664 -13.312 1.00 0.00 O ATOM 0 H GLU B 34 0.341 -0.752 -10.122 1.00 0.00 H new ATOM 0 HA GLU B 34 1.747 -3.094 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.448 -0.170 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.727 -1.355 -10.820 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.357 -2.555 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.108 -1.336 -12.409 1.00 0.00 H new ATOM 510 N ALA B 35 2.833 -1.388 -7.788 1.00 0.00 N ATOM 511 CA ALA B 35 3.618 -1.560 -6.546 1.00 0.00 C ATOM 512 C ALA B 35 3.100 -2.805 -5.834 1.00 0.00 C ATOM 513 O ALA B 35 3.814 -3.762 -5.656 1.00 0.00 O ATOM 514 CB ALA B 35 3.438 -0.324 -5.663 1.00 0.00 C ATOM 0 H ALA B 35 2.357 -0.491 -7.885 1.00 0.00 H new ATOM 0 HA ALA B 35 4.679 -1.676 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.014 -0.445 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.788 0.559 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.383 -0.204 -5.415 1.00 0.00 H new ATOM 520 N LEU B 36 1.852 -2.827 -5.458 1.00 0.00 N ATOM 521 CA LEU B 36 1.313 -4.046 -4.797 1.00 0.00 C ATOM 522 C LEU B 36 1.655 -5.248 -5.664 1.00 0.00 C ATOM 523 O LEU B 36 2.176 -6.241 -5.199 1.00 0.00 O ATOM 524 CB LEU B 36 -0.206 -3.938 -4.669 1.00 0.00 C ATOM 525 CG LEU B 36 -0.573 -2.847 -3.648 1.00 0.00 C ATOM 526 CD1 LEU B 36 -1.986 -2.342 -3.927 1.00 0.00 C ATOM 527 CD2 LEU B 36 -0.533 -3.424 -2.232 1.00 0.00 C ATOM 0 H LEU B 36 1.188 -2.062 -5.578 1.00 0.00 H new ATOM 0 HA LEU B 36 1.748 -4.153 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.645 -3.702 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.622 -4.896 -4.355 1.00 0.00 H new ATOM 0 HG LEU B 36 0.143 -2.029 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -2.246 -1.569 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -2.032 -1.927 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.691 -3.169 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.794 -2.646 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.246 -4.244 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.470 -3.793 -2.018 1.00 0.00 H new ATOM 539 N TYR B 37 1.391 -5.151 -6.936 1.00 0.00 N ATOM 540 CA TYR B 37 1.729 -6.272 -7.845 1.00 0.00 C ATOM 541 C TYR B 37 3.212 -6.593 -7.647 1.00 0.00 C ATOM 542 O TYR B 37 3.661 -7.700 -7.859 1.00 0.00 O ATOM 543 CB TYR B 37 1.457 -5.839 -9.291 1.00 0.00 C ATOM 544 CG TYR B 37 1.381 -7.054 -10.184 1.00 0.00 C ATOM 545 CD1 TYR B 37 0.136 -7.608 -10.505 1.00 0.00 C ATOM 546 CD2 TYR B 37 2.554 -7.628 -10.688 1.00 0.00 C ATOM 547 CE1 TYR B 37 0.065 -8.736 -11.331 1.00 0.00 C ATOM 548 CE2 TYR B 37 2.483 -8.755 -11.514 1.00 0.00 C ATOM 549 CZ TYR B 37 1.238 -9.309 -11.835 1.00 0.00 C ATOM 550 OH TYR B 37 1.167 -10.422 -12.649 1.00 0.00 O ATOM 0 H TYR B 37 0.956 -4.343 -7.382 1.00 0.00 H new ATOM 0 HA TYR B 37 1.128 -7.156 -7.632 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.523 -5.279 -9.343 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.248 -5.172 -9.635 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.769 -7.165 -10.116 1.00 0.00 H new ATOM 0 HD2 TYR B 37 3.514 -7.201 -10.439 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.895 -9.164 -11.579 1.00 0.00 H new ATOM 0 HE2 TYR B 37 3.388 -9.197 -11.904 1.00 0.00 H new ATOM 0 HH TYR B 37 2.071 -10.692 -12.913 1.00 0.00 H new ATOM 560 N LEU B 38 3.964 -5.616 -7.213 1.00 0.00 N ATOM 561 CA LEU B 38 5.415 -5.813 -6.955 1.00 0.00 C ATOM 562 C LEU B 38 5.584 -6.371 -5.531 1.00 0.00 C ATOM 563 O LEU B 38 6.055 -7.473 -5.327 1.00 0.00 O ATOM 564 CB LEU B 38 6.093 -4.437 -7.076 1.00 0.00 C ATOM 565 CG LEU B 38 7.548 -4.563 -7.538 1.00 0.00 C ATOM 566 CD1 LEU B 38 7.611 -4.776 -9.052 1.00 0.00 C ATOM 567 CD2 LEU B 38 8.276 -3.265 -7.192 1.00 0.00 C ATOM 0 H LEU B 38 3.624 -4.673 -7.024 1.00 0.00 H new ATOM 0 HA LEU B 38 5.862 -6.511 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.539 -3.819 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.059 -3.928 -6.113 1.00 0.00 H new ATOM 0 HG LEU B 38 8.013 -5.415 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.652 -4.864 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.076 -5.689 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.151 -3.928 -9.558 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.315 -3.334 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU B 38 7.794 -2.430 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.239 -3.103 -6.115 1.00 0.00 H new ATOM 579 N VAL B 39 5.186 -5.599 -4.554 1.00 0.00 N ATOM 580 CA VAL B 39 5.288 -6.028 -3.130 1.00 0.00 C ATOM 581 C VAL B 39 4.630 -7.394 -2.947 1.00 0.00 C ATOM 582 O VAL B 39 5.233 -8.329 -2.458 1.00 0.00 O ATOM 583 CB VAL B 39 4.551 -4.996 -2.261 1.00 0.00 C ATOM 584 CG1 VAL B 39 4.717 -5.316 -0.780 1.00 0.00 C ATOM 585 CG2 VAL B 39 5.120 -3.612 -2.520 1.00 0.00 C ATOM 0 H VAL B 39 4.786 -4.670 -4.688 1.00 0.00 H new ATOM 0 HA VAL B 39 6.337 -6.097 -2.841 1.00 0.00 H new ATOM 0 HB VAL B 39 3.493 -5.029 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.187 -4.572 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.307 -6.305 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.776 -5.300 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.596 -2.882 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL B 39 6.181 -3.603 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.992 -3.357 -3.572 1.00 0.00 H new ATOM 595 N CYS B 40 3.387 -7.502 -3.309 1.00 0.00 N ATOM 596 CA CYS B 40 2.661 -8.787 -3.132 1.00 0.00 C ATOM 597 C CYS B 40 3.138 -9.823 -4.161 1.00 0.00 C ATOM 598 O CYS B 40 3.138 -11.007 -3.901 1.00 0.00 O ATOM 599 CB CYS B 40 1.156 -8.510 -3.290 1.00 0.00 C ATOM 600 SG CYS B 40 0.193 -9.565 -2.175 1.00 0.00 S ATOM 0 H CYS B 40 2.837 -6.750 -3.724 1.00 0.00 H new ATOM 0 HA CYS B 40 2.860 -9.198 -2.142 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.949 -7.461 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.854 -8.690 -4.322 1.00 0.00 H new ATOM 605 N GLY B 41 3.553 -9.402 -5.319 1.00 0.00 N ATOM 606 CA GLY B 41 4.026 -10.393 -6.329 1.00 0.00 C ATOM 607 C GLY B 41 3.003 -11.528 -6.462 1.00 0.00 C ATOM 608 O GLY B 41 1.868 -11.313 -6.838 1.00 0.00 O ATOM 0 H GLY B 41 3.587 -8.425 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.168 -9.904 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY B 41 4.994 -10.796 -6.031 1.00 0.00 H new ATOM 612 N GLU B 42 3.402 -12.737 -6.165 1.00 0.00 N ATOM 613 CA GLU B 42 2.461 -13.893 -6.284 1.00 0.00 C ATOM 614 C GLU B 42 1.592 -14.023 -5.026 1.00 0.00 C ATOM 615 O GLU B 42 0.634 -14.771 -5.004 1.00 0.00 O ATOM 616 CB GLU B 42 3.266 -15.178 -6.481 1.00 0.00 C ATOM 617 CG GLU B 42 4.405 -14.923 -7.470 1.00 0.00 C ATOM 618 CD GLU B 42 3.835 -14.361 -8.774 1.00 0.00 C ATOM 619 OE1 GLU B 42 3.662 -15.133 -9.703 1.00 0.00 O ATOM 620 OE2 GLU B 42 3.583 -13.169 -8.822 1.00 0.00 O ATOM 0 H GLU B 42 4.341 -12.975 -5.844 1.00 0.00 H new ATOM 0 HA GLU B 42 1.807 -13.724 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.669 -15.517 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.618 -15.972 -6.853 1.00 0.00 H new ATOM 0 HG2 GLU B 42 5.122 -14.222 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.944 -15.850 -7.666 1.00 0.00 H new ATOM 627 N ARG B 43 1.916 -13.318 -3.978 1.00 0.00 N ATOM 628 CA ARG B 43 1.099 -13.428 -2.730 1.00 0.00 C ATOM 629 C ARG B 43 -0.349 -13.021 -3.020 1.00 0.00 C ATOM 630 O ARG B 43 -1.281 -13.561 -2.459 1.00 0.00 O ATOM 631 CB ARG B 43 1.674 -12.512 -1.644 1.00 0.00 C ATOM 632 CG ARG B 43 2.967 -13.096 -1.077 1.00 0.00 C ATOM 633 CD ARG B 43 3.496 -12.175 0.033 1.00 0.00 C ATOM 634 NE ARG B 43 4.962 -12.380 0.183 1.00 0.00 N ATOM 635 CZ ARG B 43 5.598 -11.837 1.185 1.00 0.00 C ATOM 636 NH1 ARG B 43 6.884 -12.017 1.317 1.00 0.00 N ATOM 637 NH2 ARG B 43 4.948 -11.116 2.056 1.00 0.00 N ATOM 0 H ARG B 43 2.705 -12.674 -3.928 1.00 0.00 H new ATOM 0 HA ARG B 43 1.125 -14.461 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG B 43 1.867 -11.523 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG B 43 0.945 -12.385 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG B 43 2.785 -14.095 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.711 -13.197 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG B 43 3.286 -11.134 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG B 43 2.989 -12.391 0.973 1.00 0.00 H new ATOM 0 HE ARG B 43 5.470 -12.945 -0.497 1.00 0.00 H new ATOM 0 HH11 ARG B 43 7.392 -12.582 0.637 1.00 0.00 H new ATOM 0 HH12 ARG B 43 7.381 -11.592 2.100 1.00 0.00 H new ATOM 0 HH21 ARG B 43 3.943 -10.977 1.954 1.00 0.00 H new ATOM 0 HH22 ARG B 43 5.445 -10.692 2.839 1.00 0.00 H new ATOM 651 N GLY B 44 -0.541 -12.073 -3.892 1.00 0.00 N ATOM 652 CA GLY B 44 -1.928 -11.620 -4.227 1.00 0.00 C ATOM 653 C GLY B 44 -2.354 -10.502 -3.270 1.00 0.00 C ATOM 654 O GLY B 44 -2.279 -10.644 -2.063 1.00 0.00 O ATOM 0 H GLY B 44 0.203 -11.587 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -1.965 -11.264 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.622 -12.458 -4.154 1.00 0.00 H new ATOM 658 N TYR B 45 -2.798 -9.384 -3.801 1.00 0.00 N ATOM 659 CA TYR B 45 -3.230 -8.241 -2.939 1.00 0.00 C ATOM 660 C TYR B 45 -4.696 -7.929 -3.209 1.00 0.00 C ATOM 661 O TYR B 45 -5.325 -8.534 -4.055 1.00 0.00 O ATOM 662 CB TYR B 45 -2.384 -7.004 -3.262 1.00 0.00 C ATOM 663 CG TYR B 45 -2.512 -6.673 -4.727 1.00 0.00 C ATOM 664 CD1 TYR B 45 -3.317 -5.609 -5.147 1.00 0.00 C ATOM 665 CD2 TYR B 45 -1.812 -7.430 -5.664 1.00 0.00 C ATOM 666 CE1 TYR B 45 -3.420 -5.305 -6.507 1.00 0.00 C ATOM 667 CE2 TYR B 45 -1.914 -7.130 -7.028 1.00 0.00 C ATOM 668 CZ TYR B 45 -2.719 -6.066 -7.450 1.00 0.00 C ATOM 669 OH TYR B 45 -2.820 -5.768 -8.793 1.00 0.00 O ATOM 0 H TYR B 45 -2.879 -9.217 -4.804 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.098 -8.510 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -2.712 -6.158 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.340 -7.189 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.859 -5.022 -4.420 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.189 -8.250 -5.338 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -4.041 -4.483 -6.831 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.372 -7.719 -7.753 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.662 -5.295 -8.961 1.00 0.00 H new ATOM 679 N PHE B 46 -5.243 -6.984 -2.488 1.00 0.00 N ATOM 680 CA PHE B 46 -6.678 -6.605 -2.678 1.00 0.00 C ATOM 681 C PHE B 46 -6.752 -5.102 -2.960 1.00 0.00 C ATOM 682 O PHE B 46 -6.426 -4.282 -2.124 1.00 0.00 O ATOM 683 CB PHE B 46 -7.474 -7.015 -1.409 1.00 0.00 C ATOM 684 CG PHE B 46 -7.763 -5.839 -0.496 1.00 0.00 C ATOM 685 CD1 PHE B 46 -7.136 -5.748 0.747 1.00 0.00 C ATOM 686 CD2 PHE B 46 -8.669 -4.852 -0.896 1.00 0.00 C ATOM 687 CE1 PHE B 46 -7.412 -4.670 1.596 1.00 0.00 C ATOM 688 CE2 PHE B 46 -8.946 -3.770 -0.052 1.00 0.00 C ATOM 689 CZ PHE B 46 -8.318 -3.680 1.196 1.00 0.00 C ATOM 0 H PHE B 46 -4.753 -6.453 -1.768 1.00 0.00 H new ATOM 0 HA PHE B 46 -7.123 -7.124 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -8.415 -7.477 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -6.910 -7.768 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.436 -6.511 1.055 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -9.156 -4.924 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -6.927 -4.602 2.558 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -9.643 -3.006 -0.363 1.00 0.00 H new ATOM 0 HZ PHE B 46 -8.532 -2.848 1.850 1.00 0.00 H new ATOM 699 N TYR B 47 -7.176 -4.746 -4.143 1.00 0.00 N ATOM 700 CA TYR B 47 -7.282 -3.305 -4.524 1.00 0.00 C ATOM 701 C TYR B 47 -8.676 -3.041 -5.100 1.00 0.00 C ATOM 702 O TYR B 47 -9.000 -3.479 -6.186 1.00 0.00 O ATOM 703 CB TYR B 47 -6.231 -2.984 -5.588 1.00 0.00 C ATOM 704 CG TYR B 47 -6.282 -1.511 -5.902 1.00 0.00 C ATOM 705 CD1 TYR B 47 -5.586 -0.601 -5.099 1.00 0.00 C ATOM 706 CD2 TYR B 47 -7.034 -1.052 -6.990 1.00 0.00 C ATOM 707 CE1 TYR B 47 -5.640 0.765 -5.383 1.00 0.00 C ATOM 708 CE2 TYR B 47 -7.087 0.317 -7.276 1.00 0.00 C ATOM 709 CZ TYR B 47 -6.390 1.226 -6.471 1.00 0.00 C ATOM 710 OH TYR B 47 -6.443 2.576 -6.750 1.00 0.00 O ATOM 0 H TYR B 47 -7.458 -5.401 -4.872 1.00 0.00 H new ATOM 0 HA TYR B 47 -7.118 -2.680 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.238 -3.258 -5.231 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.418 -3.567 -6.489 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.007 -0.955 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.573 -1.754 -7.609 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.102 1.467 -4.762 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.665 0.672 -8.117 1.00 0.00 H new ATOM 0 HH TYR B 47 -7.006 2.725 -7.538 1.00 0.00 H new ATOM 720 N THR B 48 -9.504 -2.329 -4.386 1.00 0.00 N ATOM 721 CA THR B 48 -10.873 -2.041 -4.901 1.00 0.00 C ATOM 722 C THR B 48 -11.537 -0.987 -4.019 1.00 0.00 C ATOM 723 O THR B 48 -12.543 -1.231 -3.383 1.00 0.00 O ATOM 724 CB THR B 48 -11.710 -3.321 -4.890 1.00 0.00 C ATOM 725 OG1 THR B 48 -13.090 -2.985 -4.869 1.00 0.00 O ATOM 726 CG2 THR B 48 -11.367 -4.153 -3.654 1.00 0.00 C ATOM 0 H THR B 48 -9.292 -1.935 -3.469 1.00 0.00 H new ATOM 0 HA THR B 48 -10.803 -1.668 -5.923 1.00 0.00 H new ATOM 0 HB THR B 48 -11.491 -3.902 -5.786 1.00 0.00 H new ATOM 0 HG1 THR B 48 -13.335 -2.665 -3.976 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.966 -5.064 -3.651 1.00 0.00 H new ATOM 0 HG22 THR B 48 -10.309 -4.414 -3.674 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.581 -3.575 -2.755 1.00 0.00 H new ATOM 734 N LYS B 49 -10.976 0.186 -3.982 1.00 0.00 N ATOM 735 CA LYS B 49 -11.554 1.277 -3.150 1.00 0.00 C ATOM 736 C LYS B 49 -11.187 2.624 -3.773 1.00 0.00 C ATOM 737 O LYS B 49 -10.610 3.470 -3.124 1.00 0.00 O ATOM 738 CB LYS B 49 -10.990 1.195 -1.725 1.00 0.00 C ATOM 739 CG LYS B 49 -11.733 0.115 -0.925 1.00 0.00 C ATOM 740 CD LYS B 49 -11.328 0.194 0.551 1.00 0.00 C ATOM 741 CE LYS B 49 -12.305 -0.628 1.396 1.00 0.00 C ATOM 742 NZ LYS B 49 -12.009 -0.418 2.841 1.00 0.00 N ATOM 0 H LYS B 49 -10.133 0.439 -4.497 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.638 1.174 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -9.925 0.965 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -11.092 2.160 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -12.810 0.252 -1.024 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.499 -0.872 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.313 -0.182 0.681 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.328 1.232 0.884 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.331 -0.331 1.177 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.219 -1.685 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -12.672 -0.976 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.035 -0.721 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -12.113 0.590 3.074 1.00 0.00 H new ATOM 756 N PRO B 50 -11.524 2.821 -5.025 1.00 0.00 N ATOM 757 CA PRO B 50 -11.248 4.082 -5.754 1.00 0.00 C ATOM 758 C PRO B 50 -11.241 5.317 -4.835 1.00 0.00 C ATOM 759 O PRO B 50 -10.536 6.276 -5.078 1.00 0.00 O ATOM 760 CB PRO B 50 -12.408 4.157 -6.772 1.00 0.00 C ATOM 761 CG PRO B 50 -13.011 2.769 -6.848 1.00 0.00 C ATOM 762 CD PRO B 50 -12.200 1.866 -5.912 1.00 0.00 C ATOM 0 HA PRO B 50 -10.258 4.082 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -13.154 4.886 -6.456 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -12.045 4.475 -7.749 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -14.059 2.789 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -12.978 2.391 -7.870 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -12.842 1.184 -5.355 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -11.486 1.253 -6.463 1.00 0.00 H new ATOM 770 N THR B 51 -12.023 5.303 -3.787 1.00 0.00 N ATOM 771 CA THR B 51 -12.059 6.479 -2.869 1.00 0.00 C ATOM 772 C THR B 51 -10.628 6.911 -2.526 1.00 0.00 C ATOM 773 O THR B 51 -10.357 8.098 -2.593 1.00 0.00 O ATOM 774 CB THR B 51 -12.827 6.115 -1.585 1.00 0.00 C ATOM 775 OG1 THR B 51 -13.203 7.307 -0.912 1.00 0.00 O ATOM 776 CG2 THR B 51 -11.954 5.261 -0.656 1.00 0.00 C ATOM 777 OXT THR B 51 -9.830 6.046 -2.204 1.00 0.00 O ATOM 0 H THR B 51 -12.636 4.530 -3.528 1.00 0.00 H new ATOM 0 HA THR B 51 -12.570 7.306 -3.362 1.00 0.00 H new ATOM 0 HB THR B 51 -13.713 5.541 -1.856 1.00 0.00 H new ATOM 0 HG1 THR B 51 -13.694 7.080 -0.095 1.00 0.00 H new ATOM 0 HG21 THR B 51 -12.515 5.014 0.245 1.00 0.00 H new ATOM 0 HG22 THR B 51 -11.668 4.342 -1.168 1.00 0.00 H new ATOM 0 HG23 THR B 51 -11.058 5.819 -0.384 1.00 0.00 H new TER 785 THR B 51