USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 372 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 12 SER OG : rot -86:sc= 0.0863 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.642 K(o=0.73,f=-0.67) USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0 (180deg=-0.0536) USER MOD Single : A 5 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.12) 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= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 118:sc= 0.972 USER MOD Single : A 21 ASN : amide:sc= 0.583 K(o=0.58,f=0) USER MOD Single : B 24 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : B 25 GLN : amide:sc= -0.074 K(o=-0.074,f=-1.1) USER MOD Single : B 26 HIS : no HD1:sc= -5.49! C(o=-5.5!,f=-9.1!) 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 47 TYR OH : rot -169:sc= -1.41 USER MOD Single : B 48 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 63:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.292 10.239 2.146 1.00 0.00 N ATOM 2 CA GLY A 1 -8.012 8.837 1.606 1.00 0.00 C ATOM 3 C GLY A 1 -6.652 8.253 1.769 1.00 0.00 C ATOM 4 O GLY A 1 -5.744 8.899 2.253 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.228 10.556 1.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.275 10.220 3.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.564 10.896 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.720 8.156 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.240 8.845 0.540 1.00 0.00 H new ATOM 10 N ILE A 2 -6.472 7.024 1.373 1.00 0.00 N ATOM 11 CA ILE A 2 -5.132 6.389 1.511 1.00 0.00 C ATOM 12 C ILE A 2 -4.203 6.931 0.416 1.00 0.00 C ATOM 13 O ILE A 2 -3.008 7.044 0.604 1.00 0.00 O ATOM 14 CB ILE A 2 -5.283 4.859 1.390 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.459 4.266 2.799 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.045 4.248 0.716 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.003 2.800 2.827 1.00 0.00 C ATOM 0 H ILE A 2 -7.193 6.433 0.960 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.700 6.623 2.484 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.154 4.628 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.882 4.846 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.504 4.334 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.169 3.168 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.927 4.672 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.160 4.470 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.135 2.397 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.599 2.220 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.951 2.741 2.547 1.00 0.00 H new ATOM 29 N VAL A 3 -4.742 7.262 -0.723 1.00 0.00 N ATOM 30 CA VAL A 3 -3.884 7.791 -1.823 1.00 0.00 C ATOM 31 C VAL A 3 -3.314 9.145 -1.416 1.00 0.00 C ATOM 32 O VAL A 3 -2.216 9.508 -1.781 1.00 0.00 O ATOM 33 CB VAL A 3 -4.713 7.958 -3.100 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.522 6.689 -3.363 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.667 9.144 -2.941 1.00 0.00 C ATOM 0 H VAL A 3 -5.736 7.190 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.072 7.088 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.042 8.139 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.110 6.814 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.844 5.844 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.190 6.503 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.256 9.262 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.334 8.964 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.092 10.052 -2.762 1.00 0.00 H new ATOM 45 N GLU A 4 -4.059 9.893 -0.664 1.00 0.00 N ATOM 46 CA GLU A 4 -3.581 11.234 -0.229 1.00 0.00 C ATOM 47 C GLU A 4 -2.593 11.084 0.930 1.00 0.00 C ATOM 48 O GLU A 4 -2.144 12.056 1.505 1.00 0.00 O ATOM 49 CB GLU A 4 -4.783 12.067 0.214 1.00 0.00 C ATOM 50 CG GLU A 4 -5.967 11.764 -0.708 1.00 0.00 C ATOM 51 CD GLU A 4 -6.543 13.075 -1.245 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.775 13.866 -1.768 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.743 13.265 -1.127 1.00 0.00 O ATOM 0 H GLU A 4 -4.987 9.635 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.075 11.731 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.041 11.835 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.539 13.129 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.645 11.130 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.734 11.213 -0.164 1.00 0.00 H new ATOM 60 N GLN A 5 -2.243 9.875 1.275 1.00 0.00 N ATOM 61 CA GLN A 5 -1.278 9.670 2.390 1.00 0.00 C ATOM 62 C GLN A 5 0.084 9.285 1.812 1.00 0.00 C ATOM 63 O GLN A 5 1.113 9.768 2.242 1.00 0.00 O ATOM 64 CB GLN A 5 -1.778 8.549 3.304 1.00 0.00 C ATOM 65 CG GLN A 5 -0.801 8.365 4.468 1.00 0.00 C ATOM 66 CD GLN A 5 -1.206 9.281 5.625 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.382 9.982 6.179 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.451 9.305 6.016 1.00 0.00 N ATOM 0 H GLN A 5 -2.584 9.021 0.833 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.187 10.591 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.771 8.790 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.869 7.620 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.801 7.326 4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.214 8.597 4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.143 8.717 5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.732 9.912 6.786 1.00 0.00 H new ATOM 77 N CYS A 6 0.100 8.413 0.840 1.00 0.00 N ATOM 78 CA CYS A 6 1.396 7.993 0.238 1.00 0.00 C ATOM 79 C CYS A 6 1.566 8.639 -1.142 1.00 0.00 C ATOM 80 O CYS A 6 2.669 8.801 -1.626 1.00 0.00 O ATOM 81 CB CYS A 6 1.421 6.470 0.108 1.00 0.00 C ATOM 82 SG CYS A 6 1.445 5.735 1.762 1.00 0.00 S ATOM 0 H CYS A 6 -0.728 7.974 0.438 1.00 0.00 H new ATOM 0 HA CYS A 6 2.216 8.316 0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.547 6.125 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.299 6.155 -0.456 1.00 0.00 H new ATOM 87 N CYS A 7 0.491 9.014 -1.782 1.00 0.00 N ATOM 88 CA CYS A 7 0.620 9.651 -3.124 1.00 0.00 C ATOM 89 C CYS A 7 1.080 11.098 -2.953 1.00 0.00 C ATOM 90 O CYS A 7 1.740 11.652 -3.806 1.00 0.00 O ATOM 91 CB CYS A 7 -0.721 9.622 -3.855 1.00 0.00 C ATOM 92 SG CYS A 7 -0.430 9.903 -5.617 1.00 0.00 S ATOM 0 H CYS A 7 -0.463 8.908 -1.437 1.00 0.00 H new ATOM 0 HA CYS A 7 1.352 9.098 -3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.213 8.662 -3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.385 10.388 -3.455 1.00 0.00 H new ATOM 97 N THR A 8 0.752 11.711 -1.848 1.00 0.00 N ATOM 98 CA THR A 8 1.198 13.114 -1.621 1.00 0.00 C ATOM 99 C THR A 8 2.587 13.067 -0.986 1.00 0.00 C ATOM 100 O THR A 8 3.424 13.918 -1.216 1.00 0.00 O ATOM 101 CB THR A 8 0.225 13.823 -0.678 1.00 0.00 C ATOM 102 OG1 THR A 8 0.683 15.147 -0.438 1.00 0.00 O ATOM 103 CG2 THR A 8 0.148 13.060 0.645 1.00 0.00 C ATOM 0 H THR A 8 0.197 11.303 -1.096 1.00 0.00 H new ATOM 0 HA THR A 8 1.227 13.660 -2.564 1.00 0.00 H new ATOM 0 HB THR A 8 -0.765 13.857 -1.133 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.060 15.604 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.546 13.566 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.202 12.044 0.460 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.136 13.025 1.103 1.00 0.00 H new ATOM 111 N SER A 9 2.834 12.056 -0.200 1.00 0.00 N ATOM 112 CA SER A 9 4.163 11.904 0.452 1.00 0.00 C ATOM 113 C SER A 9 4.603 10.446 0.302 1.00 0.00 C ATOM 114 O SER A 9 3.786 9.548 0.277 1.00 0.00 O ATOM 115 CB SER A 9 4.053 12.261 1.936 1.00 0.00 C ATOM 116 OG SER A 9 4.975 11.474 2.678 1.00 0.00 O ATOM 0 H SER A 9 2.163 11.320 0.020 1.00 0.00 H new ATOM 0 HA SER A 9 4.891 12.568 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.261 13.321 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.038 12.083 2.290 1.00 0.00 H new ATOM 0 HG SER A 9 4.908 11.701 3.629 1.00 0.00 H new ATOM 122 N ILE A 10 5.877 10.196 0.187 1.00 0.00 N ATOM 123 CA ILE A 10 6.337 8.787 0.026 1.00 0.00 C ATOM 124 C ILE A 10 6.342 8.091 1.392 1.00 0.00 C ATOM 125 O ILE A 10 6.977 8.533 2.328 1.00 0.00 O ATOM 126 CB ILE A 10 7.745 8.779 -0.590 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.627 8.908 -2.111 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.461 7.467 -0.257 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.853 10.362 -2.528 1.00 0.00 C ATOM 0 H ILE A 10 6.615 10.900 0.197 1.00 0.00 H new ATOM 0 HA ILE A 10 5.660 8.248 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 10 8.316 9.613 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.359 8.263 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.642 8.576 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.457 7.474 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.545 7.363 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.891 6.629 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.768 10.447 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.105 10.997 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.848 10.679 -2.216 1.00 0.00 H new ATOM 141 N CYS A 11 5.629 7.001 1.506 1.00 0.00 N ATOM 142 CA CYS A 11 5.577 6.264 2.801 1.00 0.00 C ATOM 143 C CYS A 11 6.687 5.213 2.841 1.00 0.00 C ATOM 144 O CYS A 11 7.581 5.203 2.018 1.00 0.00 O ATOM 145 CB CYS A 11 4.224 5.562 2.930 1.00 0.00 C ATOM 146 SG CYS A 11 2.887 6.764 2.735 1.00 0.00 S ATOM 0 H CYS A 11 5.078 6.588 0.753 1.00 0.00 H new ATOM 0 HA CYS A 11 5.711 6.969 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.136 4.781 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.148 5.075 3.902 1.00 0.00 H new ATOM 151 N SER A 12 6.629 4.325 3.794 1.00 0.00 N ATOM 152 CA SER A 12 7.670 3.263 3.895 1.00 0.00 C ATOM 153 C SER A 12 6.994 1.891 3.844 1.00 0.00 C ATOM 154 O SER A 12 5.865 1.733 4.263 1.00 0.00 O ATOM 155 CB SER A 12 8.423 3.409 5.217 1.00 0.00 C ATOM 156 OG SER A 12 7.600 2.946 6.279 1.00 0.00 O ATOM 0 H SER A 12 5.903 4.289 4.510 1.00 0.00 H new ATOM 0 HA SER A 12 8.372 3.359 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.351 2.838 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.695 4.452 5.381 1.00 0.00 H new ATOM 0 HG SER A 12 7.024 3.676 6.589 1.00 0.00 H new ATOM 162 N LEU A 13 7.673 0.899 3.336 1.00 0.00 N ATOM 163 CA LEU A 13 7.062 -0.458 3.263 1.00 0.00 C ATOM 164 C LEU A 13 6.357 -0.765 4.585 1.00 0.00 C ATOM 165 O LEU A 13 5.394 -1.505 4.630 1.00 0.00 O ATOM 166 CB LEU A 13 8.155 -1.499 3.009 1.00 0.00 C ATOM 167 CG LEU A 13 7.551 -2.720 2.312 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.608 -3.373 1.421 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.084 -3.728 3.362 1.00 0.00 C ATOM 0 H LEU A 13 8.622 0.969 2.969 1.00 0.00 H new ATOM 0 HA LEU A 13 6.339 -0.491 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.944 -1.069 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.614 -1.796 3.952 1.00 0.00 H new ATOM 0 HG LEU A 13 6.703 -2.406 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.178 -4.243 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.945 -2.657 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.455 -3.686 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.654 -4.598 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.933 -4.040 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.331 -3.266 4.001 1.00 0.00 H new ATOM 181 N TYR A 14 6.827 -0.198 5.661 1.00 0.00 N ATOM 182 CA TYR A 14 6.179 -0.453 6.978 1.00 0.00 C ATOM 183 C TYR A 14 4.754 0.099 6.950 1.00 0.00 C ATOM 184 O TYR A 14 3.799 -0.608 7.204 1.00 0.00 O ATOM 185 CB TYR A 14 6.975 0.239 8.087 1.00 0.00 C ATOM 186 CG TYR A 14 8.051 -0.738 8.616 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.686 -1.863 9.398 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.421 -0.536 8.323 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.666 -2.747 9.868 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.388 -1.429 8.800 1.00 0.00 C ATOM 191 CZ TYR A 14 10.011 -2.529 9.571 1.00 0.00 C ATOM 192 OH TYR A 14 10.969 -3.406 10.036 1.00 0.00 O ATOM 0 H TYR A 14 7.630 0.430 5.686 1.00 0.00 H new ATOM 0 HA TYR A 14 6.154 -1.525 7.172 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.444 1.145 7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.310 0.541 8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.647 -2.039 9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.722 0.313 7.727 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.379 -3.601 10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.431 -1.266 8.570 1.00 0.00 H new ATOM 0 HH TYR A 14 11.855 -3.110 9.739 1.00 0.00 H new ATOM 202 N GLN A 15 4.599 1.356 6.635 1.00 0.00 N ATOM 203 CA GLN A 15 3.232 1.944 6.584 1.00 0.00 C ATOM 204 C GLN A 15 2.376 1.134 5.611 1.00 0.00 C ATOM 205 O GLN A 15 1.225 0.845 5.874 1.00 0.00 O ATOM 206 CB GLN A 15 3.314 3.397 6.110 1.00 0.00 C ATOM 207 CG GLN A 15 3.546 4.313 7.312 1.00 0.00 C ATOM 208 CD GLN A 15 4.681 5.289 6.999 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.829 5.021 7.296 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.407 6.420 6.409 1.00 0.00 N ATOM 0 H GLN A 15 5.358 1.999 6.411 1.00 0.00 H new ATOM 0 HA GLN A 15 2.784 1.917 7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.125 3.511 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.393 3.676 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.634 4.862 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.795 3.720 8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.444 6.645 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.156 7.079 6.197 1.00 0.00 H new ATOM 219 N LEU A 16 2.928 0.756 4.490 1.00 0.00 N ATOM 220 CA LEU A 16 2.142 -0.042 3.510 1.00 0.00 C ATOM 221 C LEU A 16 1.737 -1.363 4.157 1.00 0.00 C ATOM 222 O LEU A 16 0.653 -1.865 3.939 1.00 0.00 O ATOM 223 CB LEU A 16 2.995 -0.316 2.268 1.00 0.00 C ATOM 224 CG LEU A 16 3.153 0.973 1.459 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.219 1.858 2.108 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.580 0.630 0.031 1.00 0.00 C ATOM 0 H LEU A 16 3.887 0.965 4.212 1.00 0.00 H new ATOM 0 HA LEU A 16 1.250 0.511 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.974 -0.694 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.527 -1.087 1.656 1.00 0.00 H new ATOM 0 HG LEU A 16 2.202 1.505 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.331 2.776 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.917 2.104 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.170 1.325 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.693 1.548 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.530 0.097 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.822 0.000 -0.434 1.00 0.00 H new ATOM 238 N GLU A 17 2.592 -1.924 4.967 1.00 0.00 N ATOM 239 CA GLU A 17 2.243 -3.200 5.637 1.00 0.00 C ATOM 240 C GLU A 17 0.946 -3.002 6.419 1.00 0.00 C ATOM 241 O GLU A 17 0.161 -3.915 6.584 1.00 0.00 O ATOM 242 CB GLU A 17 3.368 -3.596 6.590 1.00 0.00 C ATOM 243 CG GLU A 17 4.238 -4.669 5.933 1.00 0.00 C ATOM 244 CD GLU A 17 5.311 -5.131 6.919 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.383 -4.561 7.996 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.042 -6.047 6.582 1.00 0.00 O ATOM 0 H GLU A 17 3.515 -1.552 5.191 1.00 0.00 H new ATOM 0 HA GLU A 17 2.110 -3.990 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.973 -2.724 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.952 -3.972 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.622 -5.515 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.704 -4.272 5.031 1.00 0.00 H new ATOM 253 N ASN A 18 0.711 -1.808 6.893 1.00 0.00 N ATOM 254 CA ASN A 18 -0.541 -1.544 7.653 1.00 0.00 C ATOM 255 C ASN A 18 -1.724 -1.606 6.687 1.00 0.00 C ATOM 256 O ASN A 18 -2.818 -1.988 7.053 1.00 0.00 O ATOM 257 CB ASN A 18 -0.473 -0.157 8.296 1.00 0.00 C ATOM 258 CG ASN A 18 -0.906 -0.251 9.762 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.081 -0.189 10.065 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.000 -0.398 10.690 1.00 0.00 N ATOM 0 H ASN A 18 1.332 -1.006 6.786 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.662 -2.291 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.541 0.237 8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.120 0.537 7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.278 -0.461 11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.986 -0.450 10.436 1.00 0.00 H new ATOM 267 N TYR A 19 -1.511 -1.243 5.449 1.00 0.00 N ATOM 268 CA TYR A 19 -2.621 -1.294 4.458 1.00 0.00 C ATOM 269 C TYR A 19 -3.208 -2.708 4.452 1.00 0.00 C ATOM 270 O TYR A 19 -4.407 -2.897 4.402 1.00 0.00 O ATOM 271 CB TYR A 19 -2.078 -0.972 3.063 1.00 0.00 C ATOM 272 CG TYR A 19 -1.803 0.561 2.945 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.274 1.307 4.040 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.064 1.255 1.736 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.027 2.679 3.911 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.807 2.627 1.629 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.290 3.335 2.711 1.00 0.00 C ATOM 278 OH TYR A 19 -1.042 4.688 2.595 1.00 0.00 O ATOM 0 H TYR A 19 -0.617 -0.914 5.084 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.388 -0.567 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.160 -1.531 2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.795 -1.282 2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.063 0.810 4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.465 0.719 0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.629 3.233 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.011 3.140 0.701 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.366 4.838 1.902 1.00 0.00 H new ATOM 288 N CYS A 20 -2.362 -3.703 4.506 1.00 0.00 N ATOM 289 CA CYS A 20 -2.853 -5.109 4.507 1.00 0.00 C ATOM 290 C CYS A 20 -3.313 -5.485 5.916 1.00 0.00 C ATOM 291 O CYS A 20 -2.914 -6.494 6.463 1.00 0.00 O ATOM 292 CB CYS A 20 -1.723 -6.042 4.078 1.00 0.00 C ATOM 293 SG CYS A 20 -1.938 -6.466 2.335 1.00 0.00 S ATOM 0 H CYS A 20 -1.348 -3.600 4.550 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.688 -5.204 3.812 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.758 -5.559 4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.728 -6.945 4.688 1.00 0.00 H new ATOM 298 N ASN A 21 -4.144 -4.676 6.511 1.00 0.00 N ATOM 299 CA ASN A 21 -4.626 -4.982 7.888 1.00 0.00 C ATOM 300 C ASN A 21 -5.317 -6.346 7.899 1.00 0.00 C ATOM 301 O ASN A 21 -5.282 -7.015 6.880 1.00 0.00 O ATOM 302 CB ASN A 21 -5.617 -3.907 8.336 1.00 0.00 C ATOM 303 CG ASN A 21 -5.409 -3.611 9.822 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.954 -2.544 10.184 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.723 -4.519 10.705 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.871 -6.698 8.928 1.00 0.00 O ATOM 0 H ASN A 21 -4.511 -3.816 6.104 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.776 -5.000 8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.475 -2.999 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.639 -4.243 8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.586 -4.333 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.105 -5.415 10.402 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 7.576 -0.103 -1.175 1.00 0.00 N ATOM 315 CA PHE B 22 8.809 -0.077 -0.338 1.00 0.00 C ATOM 316 C PHE B 22 9.124 1.372 0.059 1.00 0.00 C ATOM 317 O PHE B 22 8.516 1.919 0.958 1.00 0.00 O ATOM 318 CB PHE B 22 9.974 -0.678 -1.132 1.00 0.00 C ATOM 319 CG PHE B 22 9.638 -2.094 -1.537 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.747 -2.327 -2.594 1.00 0.00 C ATOM 321 CD2 PHE B 22 10.220 -3.176 -0.862 1.00 0.00 C ATOM 322 CE1 PHE B 22 8.437 -3.639 -2.975 1.00 0.00 C ATOM 323 CE2 PHE B 22 9.909 -4.489 -1.243 1.00 0.00 C ATOM 324 CZ PHE B 22 9.018 -4.720 -2.300 1.00 0.00 C ATOM 0 HA PHE B 22 8.657 -0.666 0.567 1.00 0.00 H new ATOM 0 HB2 PHE B 22 10.173 -0.074 -2.017 1.00 0.00 H new ATOM 0 HB3 PHE B 22 10.882 -0.668 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE B 22 8.299 -1.494 -3.115 1.00 0.00 H new ATOM 0 HD2 PHE B 22 10.908 -2.998 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE B 22 7.750 -3.817 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE B 22 10.356 -5.323 -0.722 1.00 0.00 H new ATOM 0 HZ PHE B 22 8.779 -5.731 -2.594 1.00 0.00 H new ATOM 336 N VAL B 23 10.060 2.002 -0.599 1.00 0.00 N ATOM 337 CA VAL B 23 10.394 3.415 -0.249 1.00 0.00 C ATOM 338 C VAL B 23 10.917 4.136 -1.493 1.00 0.00 C ATOM 339 O VAL B 23 10.900 3.604 -2.585 1.00 0.00 O ATOM 340 CB VAL B 23 11.474 3.467 0.844 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.915 4.183 2.074 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.912 2.053 1.239 1.00 0.00 C ATOM 0 H VAL B 23 10.607 1.602 -1.361 1.00 0.00 H new ATOM 0 HA VAL B 23 9.491 3.900 0.121 1.00 0.00 H new ATOM 0 HB VAL B 23 12.338 4.007 0.456 1.00 0.00 H new ATOM 0 HG11 VAL B 23 11.679 4.221 2.851 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.622 5.197 1.803 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.045 3.641 2.446 1.00 0.00 H new ATOM 0 HG21 VAL B 23 12.677 2.112 2.014 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.053 1.499 1.618 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.318 1.541 0.367 1.00 0.00 H new ATOM 352 N ASN B 24 11.389 5.343 -1.327 1.00 0.00 N ATOM 353 CA ASN B 24 11.926 6.112 -2.489 1.00 0.00 C ATOM 354 C ASN B 24 11.044 5.887 -3.720 1.00 0.00 C ATOM 355 O ASN B 24 11.527 5.585 -4.793 1.00 0.00 O ATOM 356 CB ASN B 24 13.351 5.642 -2.792 1.00 0.00 C ATOM 357 CG ASN B 24 14.352 6.700 -2.322 1.00 0.00 C ATOM 358 OD1 ASN B 24 15.196 7.134 -3.081 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.294 7.135 -1.093 1.00 0.00 N ATOM 0 H ASN B 24 11.426 5.832 -0.433 1.00 0.00 H new ATOM 0 HA ASN B 24 11.931 7.174 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.546 4.694 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.467 5.467 -3.862 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.957 7.839 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.586 6.771 -0.456 1.00 0.00 H new ATOM 366 N GLN B 25 9.754 6.032 -3.577 1.00 0.00 N ATOM 367 CA GLN B 25 8.849 5.826 -4.745 1.00 0.00 C ATOM 368 C GLN B 25 7.507 6.510 -4.487 1.00 0.00 C ATOM 369 O GLN B 25 7.113 6.719 -3.357 1.00 0.00 O ATOM 370 CB GLN B 25 8.615 4.330 -4.951 1.00 0.00 C ATOM 371 CG GLN B 25 9.320 3.876 -6.230 1.00 0.00 C ATOM 372 CD GLN B 25 9.869 2.463 -6.037 1.00 0.00 C ATOM 373 OE1 GLN B 25 9.378 1.713 -5.216 1.00 0.00 O ATOM 374 NE2 GLN B 25 10.874 2.066 -6.766 1.00 0.00 N ATOM 0 H GLN B 25 9.289 6.283 -2.705 1.00 0.00 H new ATOM 0 HA GLN B 25 9.311 6.254 -5.634 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.994 3.770 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.547 4.124 -5.019 1.00 0.00 H new ATOM 0 HG2 GLN B 25 8.623 3.895 -7.068 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.131 4.562 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN B 25 11.285 2.696 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN B 25 11.249 1.125 -6.648 1.00 0.00 H new ATOM 383 N HIS B 26 6.796 6.854 -5.527 1.00 0.00 N ATOM 384 CA HIS B 26 5.478 7.517 -5.331 1.00 0.00 C ATOM 385 C HIS B 26 4.420 6.641 -6.012 1.00 0.00 C ATOM 386 O HIS B 26 4.754 5.684 -6.683 1.00 0.00 O ATOM 387 CB HIS B 26 5.510 8.901 -5.979 1.00 0.00 C ATOM 388 CG HIS B 26 4.942 9.915 -5.026 1.00 0.00 C ATOM 389 ND1 HIS B 26 4.891 9.668 -3.671 1.00 0.00 N ATOM 390 CD2 HIS B 26 4.470 11.181 -5.230 1.00 0.00 C ATOM 391 CE1 HIS B 26 4.405 10.775 -3.096 1.00 0.00 C ATOM 392 NE2 HIS B 26 4.132 11.729 -4.010 1.00 0.00 N ATOM 0 H HIS B 26 7.070 6.705 -6.498 1.00 0.00 H new ATOM 0 HA HIS B 26 5.249 7.635 -4.272 1.00 0.00 H new ATOM 0 HB2 HIS B 26 6.534 9.167 -6.242 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.934 8.894 -6.905 1.00 0.00 H new ATOM 0 HD2 HIS B 26 4.377 11.671 -6.188 1.00 0.00 H new ATOM 0 HE1 HIS B 26 4.251 10.890 -2.033 1.00 0.00 H new ATOM 0 HE2 HIS B 26 3.755 12.660 -3.836 1.00 0.00 H new ATOM 400 N LEU B 27 3.155 6.923 -5.848 1.00 0.00 N ATOM 401 CA LEU B 27 2.135 6.046 -6.502 1.00 0.00 C ATOM 402 C LEU B 27 0.774 6.769 -6.607 1.00 0.00 C ATOM 403 O LEU B 27 0.729 7.941 -6.884 1.00 0.00 O ATOM 404 CB LEU B 27 2.020 4.732 -5.698 1.00 0.00 C ATOM 405 CG LEU B 27 2.612 4.908 -4.297 1.00 0.00 C ATOM 406 CD1 LEU B 27 1.875 6.033 -3.569 1.00 0.00 C ATOM 407 CD2 LEU B 27 2.454 3.603 -3.515 1.00 0.00 C ATOM 0 H LEU B 27 2.787 7.703 -5.303 1.00 0.00 H new ATOM 0 HA LEU B 27 2.448 5.813 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.974 4.435 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.542 3.931 -6.222 1.00 0.00 H new ATOM 0 HG LEU B 27 3.669 5.161 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU B 27 2.296 6.158 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU B 27 1.985 6.962 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.818 5.782 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.874 3.724 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU B 27 1.396 3.352 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU B 27 2.979 2.801 -4.035 1.00 0.00 H new ATOM 419 N CYS B 28 -0.317 6.052 -6.423 1.00 0.00 N ATOM 420 CA CYS B 28 -1.713 6.609 -6.522 1.00 0.00 C ATOM 421 C CYS B 28 -2.650 5.515 -7.032 1.00 0.00 C ATOM 422 O CYS B 28 -2.366 4.844 -8.004 1.00 0.00 O ATOM 423 CB CYS B 28 -1.824 7.830 -7.456 1.00 0.00 C ATOM 424 SG CYS B 28 -2.157 9.343 -6.494 1.00 0.00 S ATOM 0 H CYS B 28 -0.293 5.057 -6.198 1.00 0.00 H new ATOM 0 HA CYS B 28 -1.989 6.945 -5.522 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.900 7.948 -8.021 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -2.623 7.670 -8.180 1.00 0.00 H new ATOM 429 N GLY B 29 -3.769 5.338 -6.377 1.00 0.00 N ATOM 430 CA GLY B 29 -4.751 4.296 -6.805 1.00 0.00 C ATOM 431 C GLY B 29 -4.020 3.050 -7.310 1.00 0.00 C ATOM 432 O GLY B 29 -3.312 2.391 -6.575 1.00 0.00 O ATOM 0 H GLY B 29 -4.047 5.876 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -5.398 4.032 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -5.393 4.693 -7.592 1.00 0.00 H new ATOM 436 N SER B 30 -4.193 2.723 -8.562 1.00 0.00 N ATOM 437 CA SER B 30 -3.514 1.520 -9.120 1.00 0.00 C ATOM 438 C SER B 30 -2.069 1.478 -8.626 1.00 0.00 C ATOM 439 O SER B 30 -1.661 0.557 -7.948 1.00 0.00 O ATOM 440 CB SER B 30 -3.529 1.589 -10.647 1.00 0.00 C ATOM 441 OG SER B 30 -3.727 0.283 -11.173 1.00 0.00 O ATOM 0 H SER B 30 -4.776 3.238 -9.222 1.00 0.00 H new ATOM 0 HA SER B 30 -4.037 0.622 -8.792 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.324 2.254 -10.985 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.590 2.003 -11.013 1.00 0.00 H new ATOM 0 HG SER B 30 -3.739 0.323 -12.152 1.00 0.00 H new ATOM 447 N ASP B 31 -1.290 2.470 -8.957 1.00 0.00 N ATOM 448 CA ASP B 31 0.125 2.479 -8.497 1.00 0.00 C ATOM 449 C ASP B 31 0.169 2.101 -7.016 1.00 0.00 C ATOM 450 O ASP B 31 1.144 1.562 -6.532 1.00 0.00 O ATOM 451 CB ASP B 31 0.720 3.876 -8.687 1.00 0.00 C ATOM 452 CG ASP B 31 0.380 4.391 -10.087 1.00 0.00 C ATOM 453 OD1 ASP B 31 1.065 4.007 -11.021 1.00 0.00 O ATOM 454 OD2 ASP B 31 -0.558 5.163 -10.201 1.00 0.00 O ATOM 0 H ASP B 31 -1.571 3.271 -9.523 1.00 0.00 H new ATOM 0 HA ASP B 31 0.705 1.762 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP B 31 0.326 4.556 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP B 31 1.801 3.843 -8.553 1.00 0.00 H new ATOM 459 N LEU B 32 -0.886 2.373 -6.294 1.00 0.00 N ATOM 460 CA LEU B 32 -0.904 2.021 -4.845 1.00 0.00 C ATOM 461 C LEU B 32 -1.232 0.535 -4.689 1.00 0.00 C ATOM 462 O LEU B 32 -0.379 -0.263 -4.353 1.00 0.00 O ATOM 463 CB LEU B 32 -1.966 2.856 -4.126 1.00 0.00 C ATOM 464 CG LEU B 32 -1.372 3.448 -2.845 1.00 0.00 C ATOM 465 CD1 LEU B 32 -0.857 4.861 -3.128 1.00 0.00 C ATOM 466 CD2 LEU B 32 -2.453 3.508 -1.763 1.00 0.00 C ATOM 0 H LEU B 32 -1.732 2.822 -6.644 1.00 0.00 H new ATOM 0 HA LEU B 32 0.073 2.228 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.319 3.655 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.830 2.236 -3.886 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.548 2.822 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.434 5.283 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -0.088 4.820 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.681 5.487 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.031 3.929 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.276 4.135 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.822 2.502 -1.561 1.00 0.00 H new ATOM 478 N VAL B 33 -2.458 0.153 -4.932 1.00 0.00 N ATOM 479 CA VAL B 33 -2.824 -1.284 -4.798 1.00 0.00 C ATOM 480 C VAL B 33 -1.738 -2.134 -5.456 1.00 0.00 C ATOM 481 O VAL B 33 -1.483 -3.253 -5.058 1.00 0.00 O ATOM 482 CB VAL B 33 -4.165 -1.542 -5.487 1.00 0.00 C ATOM 483 CG1 VAL B 33 -5.218 -0.589 -4.923 1.00 0.00 C ATOM 484 CG2 VAL B 33 -4.019 -1.308 -6.992 1.00 0.00 C ATOM 0 H VAL B 33 -3.217 0.772 -5.216 1.00 0.00 H new ATOM 0 HA VAL B 33 -2.911 -1.545 -3.743 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.473 -2.572 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.174 -0.772 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.322 -0.755 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -4.910 0.441 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.975 -1.492 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.711 -0.278 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.268 -1.987 -7.395 1.00 0.00 H new ATOM 494 N GLU B 34 -1.084 -1.603 -6.453 1.00 0.00 N ATOM 495 CA GLU B 34 -0.004 -2.370 -7.123 1.00 0.00 C ATOM 496 C GLU B 34 1.175 -2.487 -6.161 1.00 0.00 C ATOM 497 O GLU B 34 1.567 -3.569 -5.771 1.00 0.00 O ATOM 498 CB GLU B 34 0.434 -1.634 -8.389 1.00 0.00 C ATOM 499 CG GLU B 34 -0.222 -2.280 -9.611 1.00 0.00 C ATOM 500 CD GLU B 34 0.764 -3.241 -10.277 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.623 -2.769 -11.003 1.00 0.00 O ATOM 502 OE2 GLU B 34 0.643 -4.434 -10.050 1.00 0.00 O ATOM 0 H GLU B 34 -1.253 -0.671 -6.830 1.00 0.00 H new ATOM 0 HA GLU B 34 -0.361 -3.363 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.153 -0.583 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.519 -1.669 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -1.122 -2.817 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.530 -1.511 -10.319 1.00 0.00 H new ATOM 509 N ALA B 35 1.731 -1.378 -5.752 1.00 0.00 N ATOM 510 CA ALA B 35 2.866 -1.441 -4.796 1.00 0.00 C ATOM 511 C ALA B 35 2.375 -2.122 -3.520 1.00 0.00 C ATOM 512 O ALA B 35 3.035 -2.974 -2.960 1.00 0.00 O ATOM 513 CB ALA B 35 3.357 -0.027 -4.479 1.00 0.00 C ATOM 0 H ALA B 35 1.449 -0.440 -6.037 1.00 0.00 H new ATOM 0 HA ALA B 35 3.693 -2.004 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.189 -0.080 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.687 0.458 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.545 0.549 -4.036 1.00 0.00 H new ATOM 519 N LEU B 36 1.204 -1.761 -3.069 1.00 0.00 N ATOM 520 CA LEU B 36 0.642 -2.391 -1.846 1.00 0.00 C ATOM 521 C LEU B 36 0.522 -3.898 -2.068 1.00 0.00 C ATOM 522 O LEU B 36 0.596 -4.688 -1.146 1.00 0.00 O ATOM 523 CB LEU B 36 -0.748 -1.812 -1.588 1.00 0.00 C ATOM 524 CG LEU B 36 -0.631 -0.575 -0.703 1.00 0.00 C ATOM 525 CD1 LEU B 36 -0.293 -1.008 0.720 1.00 0.00 C ATOM 526 CD2 LEU B 36 0.474 0.339 -1.233 1.00 0.00 C ATOM 0 H LEU B 36 0.611 -1.052 -3.500 1.00 0.00 H new ATOM 0 HA LEU B 36 1.293 -2.196 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.226 -1.552 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.380 -2.558 -1.106 1.00 0.00 H new ATOM 0 HG LEU B 36 -1.577 -0.033 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.208 -0.128 1.358 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.082 -1.657 1.100 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.653 -1.549 0.721 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.553 1.221 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.423 -0.197 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.235 0.646 -2.251 1.00 0.00 H new ATOM 538 N TYR B 37 0.329 -4.295 -3.292 1.00 0.00 N ATOM 539 CA TYR B 37 0.190 -5.745 -3.603 1.00 0.00 C ATOM 540 C TYR B 37 1.570 -6.398 -3.628 1.00 0.00 C ATOM 541 O TYR B 37 1.694 -7.607 -3.669 1.00 0.00 O ATOM 542 CB TYR B 37 -0.474 -5.905 -4.970 1.00 0.00 C ATOM 543 CG TYR B 37 -0.404 -7.390 -5.402 1.00 0.00 C ATOM 544 CD1 TYR B 37 -0.782 -8.429 -4.509 1.00 0.00 C ATOM 545 CD2 TYR B 37 0.043 -7.746 -6.695 1.00 0.00 C ATOM 546 CE1 TYR B 37 -0.713 -9.769 -4.911 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.107 -9.091 -7.081 1.00 0.00 C ATOM 548 CZ TYR B 37 -0.270 -10.098 -6.193 1.00 0.00 C ATOM 549 OH TYR B 37 -0.205 -11.421 -6.582 1.00 0.00 O ATOM 0 H TYR B 37 0.261 -3.673 -4.098 1.00 0.00 H new ATOM 0 HA TYR B 37 -0.422 -6.225 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -1.512 -5.576 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR B 37 0.027 -5.276 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -1.124 -8.184 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.338 -6.975 -7.391 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.004 -10.551 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.450 -9.350 -8.072 1.00 0.00 H new ATOM 0 HH TYR B 37 0.123 -11.475 -7.504 1.00 0.00 H new ATOM 559 N LEU B 38 2.609 -5.611 -3.601 1.00 0.00 N ATOM 560 CA LEU B 38 3.979 -6.196 -3.621 1.00 0.00 C ATOM 561 C LEU B 38 4.494 -6.322 -2.188 1.00 0.00 C ATOM 562 O LEU B 38 5.173 -7.268 -1.842 1.00 0.00 O ATOM 563 CB LEU B 38 4.937 -5.306 -4.423 1.00 0.00 C ATOM 564 CG LEU B 38 4.156 -4.419 -5.390 1.00 0.00 C ATOM 565 CD1 LEU B 38 5.130 -3.534 -6.168 1.00 0.00 C ATOM 566 CD2 LEU B 38 3.372 -5.290 -6.371 1.00 0.00 C ATOM 0 H LEU B 38 2.570 -4.592 -3.566 1.00 0.00 H new ATOM 0 HA LEU B 38 3.933 -7.177 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.523 -4.687 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU B 38 5.642 -5.926 -4.977 1.00 0.00 H new ATOM 0 HG LEU B 38 3.463 -3.795 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU B 38 4.574 -2.900 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU B 38 5.689 -2.909 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU B 38 5.823 -4.161 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU B 38 2.816 -4.653 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU B 38 4.064 -5.916 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU B 38 2.676 -5.923 -5.820 1.00 0.00 H new ATOM 578 N VAL B 39 4.175 -5.375 -1.350 1.00 0.00 N ATOM 579 CA VAL B 39 4.646 -5.441 0.059 1.00 0.00 C ATOM 580 C VAL B 39 3.872 -6.530 0.804 1.00 0.00 C ATOM 581 O VAL B 39 4.369 -7.129 1.738 1.00 0.00 O ATOM 582 CB VAL B 39 4.420 -4.087 0.733 1.00 0.00 C ATOM 583 CG1 VAL B 39 4.896 -2.972 -0.199 1.00 0.00 C ATOM 584 CG2 VAL B 39 2.929 -3.899 1.027 1.00 0.00 C ATOM 0 H VAL B 39 3.609 -4.559 -1.581 1.00 0.00 H new ATOM 0 HA VAL B 39 5.709 -5.680 0.081 1.00 0.00 H new ATOM 0 HB VAL B 39 4.980 -4.051 1.667 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.736 -2.005 0.279 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.958 -3.102 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.334 -3.013 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.772 -2.933 1.507 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.367 -3.936 0.094 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.586 -4.694 1.689 1.00 0.00 H new ATOM 594 N CYS B 40 2.660 -6.799 0.398 1.00 0.00 N ATOM 595 CA CYS B 40 1.870 -7.855 1.089 1.00 0.00 C ATOM 596 C CYS B 40 2.314 -9.229 0.584 1.00 0.00 C ATOM 597 O CYS B 40 2.400 -10.181 1.333 1.00 0.00 O ATOM 598 CB CYS B 40 0.378 -7.648 0.817 1.00 0.00 C ATOM 599 SG CYS B 40 -0.142 -6.062 1.509 1.00 0.00 S ATOM 0 H CYS B 40 2.186 -6.336 -0.378 1.00 0.00 H new ATOM 0 HA CYS B 40 2.040 -7.796 2.164 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.186 -7.670 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.200 -8.458 1.261 1.00 0.00 H new ATOM 604 N GLY B 41 2.615 -9.330 -0.678 1.00 0.00 N ATOM 605 CA GLY B 41 3.079 -10.633 -1.238 1.00 0.00 C ATOM 606 C GLY B 41 1.895 -11.580 -1.448 1.00 0.00 C ATOM 607 O GLY B 41 1.450 -12.245 -0.534 1.00 0.00 O ATOM 0 H GLY B 41 2.560 -8.565 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.591 -10.466 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.801 -11.089 -0.561 1.00 0.00 H new ATOM 611 N GLU B 42 1.399 -11.656 -2.656 1.00 0.00 N ATOM 612 CA GLU B 42 0.254 -12.571 -2.956 1.00 0.00 C ATOM 613 C GLU B 42 -0.738 -12.584 -1.791 1.00 0.00 C ATOM 614 O GLU B 42 -1.304 -13.607 -1.459 1.00 0.00 O ATOM 615 CB GLU B 42 0.776 -13.991 -3.194 1.00 0.00 C ATOM 616 CG GLU B 42 2.078 -14.208 -2.418 1.00 0.00 C ATOM 617 CD GLU B 42 2.706 -15.540 -2.833 1.00 0.00 C ATOM 618 OE1 GLU B 42 1.982 -16.520 -2.894 1.00 0.00 O ATOM 619 OE2 GLU B 42 3.899 -15.557 -3.084 1.00 0.00 O ATOM 0 H GLU B 42 1.740 -11.120 -3.454 1.00 0.00 H new ATOM 0 HA GLU B 42 -0.254 -12.211 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU B 42 0.029 -14.719 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU B 42 0.947 -14.151 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.771 -13.390 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.879 -14.206 -1.346 1.00 0.00 H new ATOM 626 N ARG B 43 -0.956 -11.461 -1.173 1.00 0.00 N ATOM 627 CA ARG B 43 -1.914 -11.409 -0.038 1.00 0.00 C ATOM 628 C ARG B 43 -3.291 -10.999 -0.564 1.00 0.00 C ATOM 629 O ARG B 43 -3.514 -10.932 -1.757 1.00 0.00 O ATOM 630 CB ARG B 43 -1.421 -10.380 0.977 1.00 0.00 C ATOM 631 CG ARG B 43 -1.963 -10.718 2.368 1.00 0.00 C ATOM 632 CD ARG B 43 -0.800 -11.099 3.287 1.00 0.00 C ATOM 633 NE ARG B 43 -1.081 -10.624 4.671 1.00 0.00 N ATOM 634 CZ ARG B 43 -2.139 -11.049 5.307 1.00 0.00 C ATOM 635 NH1 ARG B 43 -2.505 -12.297 5.208 1.00 0.00 N ATOM 636 NH2 ARG B 43 -2.830 -10.224 6.045 1.00 0.00 N ATOM 0 H ARG B 43 -0.511 -10.573 -1.405 1.00 0.00 H new ATOM 0 HA ARG B 43 -1.987 -12.386 0.439 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -0.331 -10.368 0.995 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -1.746 -9.382 0.683 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -2.501 -9.863 2.779 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -2.675 -11.541 2.303 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -0.660 -12.180 3.284 1.00 0.00 H new ATOM 0 HD3 ARG B 43 0.126 -10.656 2.921 1.00 0.00 H new ATOM 0 HE ARG B 43 -0.446 -9.966 5.122 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -1.964 -12.943 4.633 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -3.332 -12.627 5.706 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -2.543 -9.248 6.124 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -3.657 -10.555 6.542 1.00 0.00 H new ATOM 650 N GLY B 44 -4.217 -10.726 0.312 1.00 0.00 N ATOM 651 CA GLY B 44 -5.578 -10.322 -0.143 1.00 0.00 C ATOM 652 C GLY B 44 -5.459 -9.319 -1.293 1.00 0.00 C ATOM 653 O GLY B 44 -5.012 -8.204 -1.112 1.00 0.00 O ATOM 0 H GLY B 44 -4.091 -10.765 1.323 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -6.139 -11.198 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -6.132 -9.878 0.684 1.00 0.00 H new ATOM 657 N GLY B 45 -5.855 -9.705 -2.475 1.00 0.00 N ATOM 658 CA GLY B 45 -5.761 -8.770 -3.633 1.00 0.00 C ATOM 659 C GLY B 45 -6.927 -7.781 -3.592 1.00 0.00 C ATOM 660 O GLY B 45 -6.994 -6.854 -4.375 1.00 0.00 O ATOM 0 H GLY B 45 -6.239 -10.625 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -4.814 -8.232 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -5.779 -9.330 -4.568 1.00 0.00 H new ATOM 664 N PHE B 46 -7.847 -7.970 -2.687 1.00 0.00 N ATOM 665 CA PHE B 46 -9.007 -7.040 -2.601 1.00 0.00 C ATOM 666 C PHE B 46 -8.575 -5.742 -1.914 1.00 0.00 C ATOM 667 O PHE B 46 -7.402 -5.499 -1.709 1.00 0.00 O ATOM 668 CB PHE B 46 -10.128 -7.700 -1.799 1.00 0.00 C ATOM 669 CG PHE B 46 -11.481 -7.459 -2.539 1.00 0.00 C ATOM 670 CD1 PHE B 46 -11.760 -8.095 -3.784 1.00 0.00 C ATOM 671 CD2 PHE B 46 -12.469 -6.593 -2.001 1.00 0.00 C ATOM 672 CE1 PHE B 46 -12.975 -7.868 -4.443 1.00 0.00 C ATOM 673 CE2 PHE B 46 -13.677 -6.380 -2.678 1.00 0.00 C ATOM 674 CZ PHE B 46 -13.929 -7.016 -3.892 1.00 0.00 C ATOM 0 H PHE B 46 -7.846 -8.728 -2.004 1.00 0.00 H new ATOM 0 HA PHE B 46 -9.366 -6.812 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -9.939 -8.768 -1.695 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -10.168 -7.284 -0.792 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -11.028 -8.757 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -12.288 -6.094 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -13.173 -8.357 -5.385 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -14.418 -5.718 -2.256 1.00 0.00 H new ATOM 0 HZ PHE B 46 -14.864 -6.848 -4.406 1.00 0.00 H new ATOM 684 N TYR B 47 -9.511 -4.906 -1.555 1.00 0.00 N ATOM 685 CA TYR B 47 -9.149 -3.626 -0.882 1.00 0.00 C ATOM 686 C TYR B 47 -10.216 -3.279 0.158 1.00 0.00 C ATOM 687 O TYR B 47 -10.638 -2.146 0.275 1.00 0.00 O ATOM 688 CB TYR B 47 -9.065 -2.505 -1.921 1.00 0.00 C ATOM 689 CG TYR B 47 -8.021 -1.448 -1.438 1.00 0.00 C ATOM 690 CD1 TYR B 47 -7.652 -1.355 -0.061 1.00 0.00 C ATOM 691 CD2 TYR B 47 -7.406 -0.552 -2.349 1.00 0.00 C ATOM 692 CE1 TYR B 47 -6.713 -0.404 0.361 1.00 0.00 C ATOM 693 CE2 TYR B 47 -6.469 0.390 -1.905 1.00 0.00 C ATOM 694 CZ TYR B 47 -6.126 0.464 -0.557 1.00 0.00 C ATOM 695 OH TYR B 47 -5.203 1.397 -0.130 1.00 0.00 O ATOM 0 H TYR B 47 -10.510 -5.054 -1.698 1.00 0.00 H new ATOM 0 HA TYR B 47 -8.182 -3.736 -0.390 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -8.772 -2.910 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -10.041 -2.038 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -8.100 -2.023 0.660 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.663 -0.596 -3.397 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -6.443 -0.344 1.405 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -6.009 1.064 -2.613 1.00 0.00 H new ATOM 0 HH TYR B 47 -5.022 2.033 -0.854 1.00 0.00 H new ATOM 705 N THR B 48 -10.657 -4.248 0.912 1.00 0.00 N ATOM 706 CA THR B 48 -11.698 -3.976 1.945 1.00 0.00 C ATOM 707 C THR B 48 -11.504 -4.915 3.134 1.00 0.00 C ATOM 708 O THR B 48 -11.688 -4.539 4.275 1.00 0.00 O ATOM 709 CB THR B 48 -13.086 -4.198 1.341 1.00 0.00 C ATOM 710 OG1 THR B 48 -13.279 -3.299 0.258 1.00 0.00 O ATOM 711 CG2 THR B 48 -14.154 -3.949 2.406 1.00 0.00 C ATOM 0 H THR B 48 -10.342 -5.217 0.858 1.00 0.00 H new ATOM 0 HA THR B 48 -11.608 -2.944 2.283 1.00 0.00 H new ATOM 0 HB THR B 48 -13.165 -5.224 0.982 1.00 0.00 H new ATOM 0 HG1 THR B 48 -14.167 -3.441 -0.131 1.00 0.00 H new ATOM 0 HG21 THR B 48 -15.142 -4.107 1.974 1.00 0.00 H new ATOM 0 HG22 THR B 48 -14.006 -4.638 3.237 1.00 0.00 H new ATOM 0 HG23 THR B 48 -14.076 -2.923 2.767 1.00 0.00 H new ATOM 719 N LYS B 49 -11.130 -6.133 2.876 1.00 0.00 N ATOM 720 CA LYS B 49 -10.918 -7.100 3.988 1.00 0.00 C ATOM 721 C LYS B 49 -10.184 -8.343 3.457 1.00 0.00 C ATOM 722 O LYS B 49 -10.699 -9.054 2.618 1.00 0.00 O ATOM 723 CB LYS B 49 -12.278 -7.500 4.583 1.00 0.00 C ATOM 724 CG LYS B 49 -12.997 -8.497 3.667 1.00 0.00 C ATOM 725 CD LYS B 49 -13.127 -7.914 2.257 1.00 0.00 C ATOM 726 CE LYS B 49 -13.987 -8.845 1.399 1.00 0.00 C ATOM 727 NZ LYS B 49 -15.341 -8.248 1.221 1.00 0.00 N ATOM 0 H LYS B 49 -10.961 -6.504 1.941 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.311 -6.638 4.766 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.134 -7.943 5.569 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.896 -6.613 4.720 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -12.443 -9.435 3.632 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -13.985 -8.724 4.068 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -13.578 -6.923 2.302 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.141 -7.796 1.808 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.516 -9.001 0.428 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -14.069 -9.823 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -15.925 -8.881 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -15.789 -8.121 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -15.254 -7.325 0.750 1.00 0.00 H new ATOM 741 N PRO B 50 -8.994 -8.571 3.957 1.00 0.00 N ATOM 742 CA PRO B 50 -8.178 -9.720 3.544 1.00 0.00 C ATOM 743 C PRO B 50 -8.684 -10.999 4.217 1.00 0.00 C ATOM 744 O PRO B 50 -9.735 -11.015 4.826 1.00 0.00 O ATOM 745 CB PRO B 50 -6.771 -9.359 4.025 1.00 0.00 C ATOM 746 CG PRO B 50 -6.952 -8.321 5.155 1.00 0.00 C ATOM 747 CD PRO B 50 -8.354 -7.711 4.970 1.00 0.00 C ATOM 0 HA PRO B 50 -8.213 -9.910 2.471 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -6.246 -10.242 4.389 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -6.175 -8.947 3.210 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -6.861 -8.793 6.133 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -6.183 -7.550 5.100 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -8.915 -7.712 5.905 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -8.296 -6.676 4.634 1.00 0.00 H new ATOM 755 N THR B 51 -7.948 -12.070 4.110 1.00 0.00 N ATOM 756 CA THR B 51 -8.392 -13.344 4.743 1.00 0.00 C ATOM 757 C THR B 51 -7.819 -13.437 6.158 1.00 0.00 C ATOM 758 O THR B 51 -8.127 -12.569 6.959 1.00 0.00 O ATOM 759 CB THR B 51 -7.895 -14.529 3.911 1.00 0.00 C ATOM 760 OG1 THR B 51 -6.501 -14.387 3.676 1.00 0.00 O ATOM 761 CG2 THR B 51 -8.639 -14.566 2.576 1.00 0.00 C ATOM 762 OXT THR B 51 -7.083 -14.374 6.417 1.00 0.00 O ATOM 0 H THR B 51 -7.059 -12.119 3.612 1.00 0.00 H new ATOM 0 HA THR B 51 -9.481 -13.366 4.790 1.00 0.00 H new ATOM 0 HB THR B 51 -8.080 -15.457 4.452 1.00 0.00 H new ATOM 0 HG1 THR B 51 -6.021 -14.408 4.530 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.284 -15.410 1.985 1.00 0.00 H new ATOM 0 HG22 THR B 51 -9.708 -14.675 2.758 1.00 0.00 H new ATOM 0 HG23 THR B 51 -8.456 -13.640 2.032 1.00 0.00 H new TER 770 THR B 51