USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 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: B 24 ASN : amide:sc= -4.44! C(o=-4.2!,f=-11!) USER MOD Set 1.2: B 25 GLN : amide:sc= 0.215 X(o=-4.2,f=-4.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.14) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 9 SER OG : rot 36:sc= 0.217 USER MOD Single : A 12 SER OG : rot 180:sc= -0.326 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 19 TYR OH : rot -136:sc= 0.543 USER MOD Single : A 21 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.7!) USER MOD Single : B 26 HIS : no HD1:sc= -13! C(o=-13!,f=-15!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot -27:sc= 0.0367 USER MOD Single : B 47 TYR OH : rot 130:sc= -0.0852 USER MOD Single : B 48 THR OG1 : rot -76:sc= 1.15 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 -10.669 5.934 -2.114 1.00 0.00 N ATOM 2 CA GLY A 1 -9.845 7.151 -1.692 1.00 0.00 C ATOM 3 C GLY A 1 -8.630 6.957 -0.852 1.00 0.00 C ATOM 4 O GLY A 1 -8.495 7.544 0.203 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.476 6.245 -2.692 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.074 5.287 -2.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.019 5.441 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.535 7.667 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.511 7.826 -1.153 1.00 0.00 H new ATOM 10 N ILE A 2 -7.717 6.132 -1.288 1.00 0.00 N ATOM 11 CA ILE A 2 -6.480 5.899 -0.488 1.00 0.00 C ATOM 12 C ILE A 2 -5.336 6.742 -1.072 1.00 0.00 C ATOM 13 O ILE A 2 -4.421 7.131 -0.375 1.00 0.00 O ATOM 14 CB ILE A 2 -6.144 4.393 -0.514 1.00 0.00 C ATOM 15 CG1 ILE A 2 -6.485 3.787 0.849 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.655 4.155 -0.807 1.00 0.00 C ATOM 17 CD1 ILE A 2 -6.479 2.262 0.747 1.00 0.00 C ATOM 0 H ILE A 2 -7.774 5.610 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.628 6.200 0.549 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.728 3.924 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.761 4.115 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.464 4.136 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.453 3.084 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.402 4.582 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.052 4.630 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.722 1.831 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.220 1.943 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.491 1.922 0.436 1.00 0.00 H new ATOM 29 N VAL A 3 -5.386 7.029 -2.344 1.00 0.00 N ATOM 30 CA VAL A 3 -4.304 7.851 -2.965 1.00 0.00 C ATOM 31 C VAL A 3 -4.031 9.061 -2.071 1.00 0.00 C ATOM 32 O VAL A 3 -2.937 9.586 -2.017 1.00 0.00 O ATOM 33 CB VAL A 3 -4.746 8.321 -4.363 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.551 7.215 -5.042 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.623 9.573 -4.248 1.00 0.00 C ATOM 0 H VAL A 3 -6.126 6.732 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.397 7.256 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.858 8.553 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.864 7.548 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.933 6.322 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.431 6.985 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.929 9.896 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.507 9.345 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.057 10.370 -3.766 1.00 0.00 H new ATOM 45 N GLU A 4 -5.035 9.499 -1.377 1.00 0.00 N ATOM 46 CA GLU A 4 -4.877 10.680 -0.475 1.00 0.00 C ATOM 47 C GLU A 4 -3.730 10.421 0.503 1.00 0.00 C ATOM 48 O GLU A 4 -3.184 11.334 1.090 1.00 0.00 O ATOM 49 CB GLU A 4 -6.168 10.937 0.327 1.00 0.00 C ATOM 50 CG GLU A 4 -7.364 10.230 -0.322 1.00 0.00 C ATOM 51 CD GLU A 4 -8.655 10.646 0.387 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.702 10.540 1.601 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.576 11.060 -0.298 1.00 0.00 O ATOM 0 H GLU A 4 -5.970 9.091 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.664 11.555 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.042 10.583 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.360 12.009 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.420 10.486 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.237 9.149 -0.262 1.00 0.00 H new ATOM 60 N GLN A 5 -3.367 9.183 0.685 1.00 0.00 N ATOM 61 CA GLN A 5 -2.260 8.860 1.630 1.00 0.00 C ATOM 62 C GLN A 5 -0.963 8.635 0.851 1.00 0.00 C ATOM 63 O GLN A 5 -0.083 9.474 0.836 1.00 0.00 O ATOM 64 CB GLN A 5 -2.613 7.589 2.406 1.00 0.00 C ATOM 65 CG GLN A 5 -2.357 7.814 3.898 1.00 0.00 C ATOM 66 CD GLN A 5 -3.678 7.723 4.666 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.968 8.560 5.497 1.00 0.00 O ATOM 68 NE2 GLN A 5 -4.496 6.737 4.421 1.00 0.00 N ATOM 0 H GLN A 5 -3.789 8.379 0.220 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.123 9.690 2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.658 7.328 2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.015 6.752 2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.655 7.069 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.900 8.791 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.253 6.034 3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.379 6.669 4.927 1.00 0.00 H new ATOM 77 N CYS A 6 -0.836 7.507 0.207 1.00 0.00 N ATOM 78 CA CYS A 6 0.405 7.224 -0.568 1.00 0.00 C ATOM 79 C CYS A 6 0.168 7.545 -2.042 1.00 0.00 C ATOM 80 O CYS A 6 -0.360 6.746 -2.780 1.00 0.00 O ATOM 81 CB CYS A 6 0.768 5.748 -0.416 1.00 0.00 C ATOM 82 SG CYS A 6 0.601 5.271 1.320 1.00 0.00 S ATOM 0 H CYS A 6 -1.539 6.768 0.184 1.00 0.00 H new ATOM 0 HA CYS A 6 1.222 7.840 -0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.116 5.135 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.789 5.575 -0.757 1.00 0.00 H new ATOM 87 N CYS A 7 0.555 8.717 -2.464 1.00 0.00 N ATOM 88 CA CYS A 7 0.360 9.129 -3.886 1.00 0.00 C ATOM 89 C CYS A 7 0.471 10.653 -3.935 1.00 0.00 C ATOM 90 O CYS A 7 0.975 11.231 -4.877 1.00 0.00 O ATOM 91 CB CYS A 7 -1.028 8.683 -4.369 1.00 0.00 C ATOM 92 SG CYS A 7 -1.456 9.493 -5.938 1.00 0.00 S ATOM 0 H CYS A 7 1.005 9.418 -1.876 1.00 0.00 H new ATOM 0 HA CYS A 7 1.108 8.669 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.043 7.601 -4.497 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.776 8.925 -3.614 1.00 0.00 H new ATOM 97 N THR A 8 0.024 11.300 -2.893 1.00 0.00 N ATOM 98 CA THR A 8 0.114 12.782 -2.822 1.00 0.00 C ATOM 99 C THR A 8 1.228 13.157 -1.836 1.00 0.00 C ATOM 100 O THR A 8 1.550 14.314 -1.651 1.00 0.00 O ATOM 101 CB THR A 8 -1.222 13.351 -2.337 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.985 12.313 -1.737 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.990 13.929 -3.525 1.00 0.00 C ATOM 0 H THR A 8 -0.404 10.857 -2.080 1.00 0.00 H new ATOM 0 HA THR A 8 0.338 13.193 -3.806 1.00 0.00 H new ATOM 0 HB THR A 8 -1.040 14.139 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.840 12.675 -1.424 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.941 14.334 -3.181 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.403 14.723 -3.986 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.174 13.142 -4.257 1.00 0.00 H new ATOM 111 N SER A 9 1.824 12.173 -1.210 1.00 0.00 N ATOM 112 CA SER A 9 2.926 12.438 -0.243 1.00 0.00 C ATOM 113 C SER A 9 3.795 11.181 -0.141 1.00 0.00 C ATOM 114 O SER A 9 3.602 10.229 -0.870 1.00 0.00 O ATOM 115 CB SER A 9 2.337 12.765 1.130 1.00 0.00 C ATOM 116 OG SER A 9 2.252 14.176 1.284 1.00 0.00 O ATOM 0 H SER A 9 1.589 11.188 -1.331 1.00 0.00 H new ATOM 0 HA SER A 9 3.526 13.283 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.348 12.317 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.961 12.339 1.916 1.00 0.00 H new ATOM 0 HG SER A 9 2.017 14.585 0.425 1.00 0.00 H new ATOM 122 N ILE A 10 4.747 11.163 0.750 1.00 0.00 N ATOM 123 CA ILE A 10 5.613 9.955 0.882 1.00 0.00 C ATOM 124 C ILE A 10 5.016 9.014 1.930 1.00 0.00 C ATOM 125 O ILE A 10 4.488 9.445 2.935 1.00 0.00 O ATOM 126 CB ILE A 10 7.018 10.373 1.310 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.529 11.469 0.372 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.953 9.164 1.237 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.754 10.881 -1.022 1.00 0.00 C ATOM 0 H ILE A 10 4.963 11.927 1.390 1.00 0.00 H new ATOM 0 HA ILE A 10 5.668 9.442 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 10 6.991 10.751 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.809 12.285 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.459 11.888 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.956 9.461 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.588 8.381 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.981 8.787 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.118 11.661 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.490 10.079 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.814 10.483 -1.405 1.00 0.00 H new ATOM 141 N CYS A 11 5.091 7.732 1.701 1.00 0.00 N ATOM 142 CA CYS A 11 4.521 6.765 2.682 1.00 0.00 C ATOM 143 C CYS A 11 5.629 5.865 3.229 1.00 0.00 C ATOM 144 O CYS A 11 6.802 6.102 3.019 1.00 0.00 O ATOM 145 CB CYS A 11 3.475 5.895 1.984 1.00 0.00 C ATOM 146 SG CYS A 11 1.819 6.549 2.302 1.00 0.00 S ATOM 0 H CYS A 11 5.522 7.312 0.877 1.00 0.00 H new ATOM 0 HA CYS A 11 4.062 7.317 3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.666 5.871 0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.545 4.868 2.343 1.00 0.00 H new ATOM 151 N SER A 12 5.256 4.827 3.925 1.00 0.00 N ATOM 152 CA SER A 12 6.270 3.894 4.487 1.00 0.00 C ATOM 153 C SER A 12 5.701 2.474 4.468 1.00 0.00 C ATOM 154 O SER A 12 4.519 2.267 4.660 1.00 0.00 O ATOM 155 CB SER A 12 6.597 4.300 5.925 1.00 0.00 C ATOM 156 OG SER A 12 5.576 3.825 6.791 1.00 0.00 O ATOM 0 H SER A 12 4.287 4.584 4.129 1.00 0.00 H new ATOM 0 HA SER A 12 7.181 3.933 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.562 3.888 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.677 5.384 5.999 1.00 0.00 H new ATOM 0 HG SER A 12 5.784 4.082 7.714 1.00 0.00 H new ATOM 162 N LEU A 13 6.528 1.493 4.232 1.00 0.00 N ATOM 163 CA LEU A 13 6.028 0.089 4.196 1.00 0.00 C ATOM 164 C LEU A 13 5.064 -0.144 5.361 1.00 0.00 C ATOM 165 O LEU A 13 4.180 -0.975 5.289 1.00 0.00 O ATOM 166 CB LEU A 13 7.212 -0.871 4.315 1.00 0.00 C ATOM 167 CG LEU A 13 6.718 -2.313 4.192 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.410 -2.991 3.007 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.051 -3.073 5.477 1.00 0.00 C ATOM 0 H LEU A 13 7.528 1.602 4.063 1.00 0.00 H new ATOM 0 HA LEU A 13 5.506 -0.087 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.944 -0.659 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.714 -0.728 5.272 1.00 0.00 H new ATOM 0 HG LEU A 13 5.640 -2.316 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.058 -4.019 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.177 -2.448 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.488 -2.989 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.700 -4.102 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.130 -3.069 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.561 -2.591 6.323 1.00 0.00 H new ATOM 181 N TYR A 14 5.225 0.581 6.434 1.00 0.00 N ATOM 182 CA TYR A 14 4.317 0.395 7.601 1.00 0.00 C ATOM 183 C TYR A 14 2.885 0.762 7.203 1.00 0.00 C ATOM 184 O TYR A 14 1.964 -0.009 7.386 1.00 0.00 O ATOM 185 CB TYR A 14 4.772 1.294 8.753 1.00 0.00 C ATOM 186 CG TYR A 14 5.481 0.431 9.825 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.737 -0.227 10.837 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.889 0.277 9.817 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.388 -1.005 11.804 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.524 -0.505 10.790 1.00 0.00 C ATOM 191 CZ TYR A 14 6.776 -1.142 11.780 1.00 0.00 C ATOM 192 OH TYR A 14 7.409 -1.910 12.737 1.00 0.00 O ATOM 0 H TYR A 14 5.945 1.293 6.553 1.00 0.00 H new ATOM 0 HA TYR A 14 4.349 -0.647 7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.449 2.064 8.383 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.915 1.806 9.190 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.662 -0.128 10.863 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.477 0.766 9.055 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.812 -1.501 12.571 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.598 -0.615 10.774 1.00 0.00 H new ATOM 0 HH TYR A 14 8.376 -1.902 12.576 1.00 0.00 H new ATOM 202 N GLN A 15 2.689 1.934 6.663 1.00 0.00 N ATOM 203 CA GLN A 15 1.314 2.346 6.259 1.00 0.00 C ATOM 204 C GLN A 15 0.751 1.346 5.247 1.00 0.00 C ATOM 205 O GLN A 15 -0.436 1.091 5.211 1.00 0.00 O ATOM 206 CB GLN A 15 1.360 3.737 5.622 1.00 0.00 C ATOM 207 CG GLN A 15 2.152 4.691 6.517 1.00 0.00 C ATOM 208 CD GLN A 15 1.605 6.112 6.355 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.324 7.011 5.965 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.354 6.354 6.638 1.00 0.00 N ATOM 0 H GLN A 15 3.420 2.623 6.484 1.00 0.00 H new ATOM 0 HA GLN A 15 0.675 2.369 7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.822 3.681 4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.348 4.115 5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.077 4.377 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.209 4.664 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.250 5.600 6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.020 7.297 6.532 1.00 0.00 H new ATOM 219 N LEU A 16 1.588 0.776 4.423 1.00 0.00 N ATOM 220 CA LEU A 16 1.080 -0.204 3.422 1.00 0.00 C ATOM 221 C LEU A 16 0.591 -1.454 4.150 1.00 0.00 C ATOM 222 O LEU A 16 -0.384 -2.067 3.764 1.00 0.00 O ATOM 223 CB LEU A 16 2.195 -0.573 2.442 1.00 0.00 C ATOM 224 CG LEU A 16 2.382 0.566 1.438 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.303 1.628 2.037 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.004 0.016 0.154 1.00 0.00 C ATOM 0 H LEU A 16 2.594 0.945 4.399 1.00 0.00 H new ATOM 0 HA LEU A 16 0.255 0.238 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.125 -0.754 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.945 -1.496 1.920 1.00 0.00 H new ATOM 0 HG LEU A 16 1.414 1.012 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.436 2.439 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.859 2.020 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.271 1.183 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.138 0.827 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.972 -0.431 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.346 -0.741 -0.274 1.00 0.00 H new ATOM 238 N GLU A 17 1.246 -1.825 5.215 1.00 0.00 N ATOM 239 CA GLU A 17 0.798 -3.018 5.973 1.00 0.00 C ATOM 240 C GLU A 17 -0.627 -2.767 6.464 1.00 0.00 C ATOM 241 O GLU A 17 -1.372 -3.685 6.748 1.00 0.00 O ATOM 242 CB GLU A 17 1.729 -3.240 7.168 1.00 0.00 C ATOM 243 CG GLU A 17 2.729 -4.352 6.842 1.00 0.00 C ATOM 244 CD GLU A 17 2.815 -5.323 8.022 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.986 -6.215 8.092 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.710 -5.158 8.835 1.00 0.00 O ATOM 0 H GLU A 17 2.069 -1.353 5.589 1.00 0.00 H new ATOM 0 HA GLU A 17 0.822 -3.904 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.260 -2.318 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.147 -3.508 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.418 -4.883 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.710 -3.924 6.637 1.00 0.00 H new ATOM 253 N ASN A 18 -1.012 -1.521 6.558 1.00 0.00 N ATOM 254 CA ASN A 18 -2.389 -1.197 7.023 1.00 0.00 C ATOM 255 C ASN A 18 -3.392 -1.505 5.909 1.00 0.00 C ATOM 256 O ASN A 18 -4.485 -1.971 6.162 1.00 0.00 O ATOM 257 CB ASN A 18 -2.473 0.289 7.386 1.00 0.00 C ATOM 258 CG ASN A 18 -1.831 0.520 8.756 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.508 0.516 9.765 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.544 0.723 8.836 1.00 0.00 N ATOM 0 H ASN A 18 -0.430 -0.714 6.332 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.623 -1.799 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.965 0.888 6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.514 0.612 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.108 0.878 9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.025 0.727 7.990 1.00 0.00 H new ATOM 267 N TYR A 19 -3.036 -1.250 4.676 1.00 0.00 N ATOM 268 CA TYR A 19 -3.985 -1.536 3.563 1.00 0.00 C ATOM 269 C TYR A 19 -4.174 -3.048 3.432 1.00 0.00 C ATOM 270 O TYR A 19 -5.095 -3.516 2.793 1.00 0.00 O ATOM 271 CB TYR A 19 -3.428 -0.982 2.250 1.00 0.00 C ATOM 272 CG TYR A 19 -2.722 0.380 2.537 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.125 1.200 3.632 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.658 0.840 1.722 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.482 2.418 3.880 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.028 2.061 1.988 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.440 2.847 3.062 1.00 0.00 C ATOM 278 OH TYR A 19 -0.814 4.049 3.319 1.00 0.00 O ATOM 0 H TYR A 19 -2.137 -0.859 4.395 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.942 -1.062 3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.722 -1.688 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.232 -0.845 1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.932 0.879 4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.329 0.241 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.796 3.030 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.218 2.396 1.357 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.689 4.539 2.479 1.00 0.00 H new ATOM 288 N CYS A 20 -3.305 -3.816 4.031 1.00 0.00 N ATOM 289 CA CYS A 20 -3.435 -5.297 3.937 1.00 0.00 C ATOM 290 C CYS A 20 -3.978 -5.845 5.256 1.00 0.00 C ATOM 291 O CYS A 20 -3.430 -6.761 5.835 1.00 0.00 O ATOM 292 CB CYS A 20 -2.063 -5.909 3.654 1.00 0.00 C ATOM 293 SG CYS A 20 -1.804 -5.993 1.866 1.00 0.00 S ATOM 0 H CYS A 20 -2.513 -3.483 4.580 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.121 -5.553 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.281 -5.308 4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.000 -6.906 4.090 1.00 0.00 H new ATOM 298 N ASN A 21 -5.056 -5.290 5.736 1.00 0.00 N ATOM 299 CA ASN A 21 -5.637 -5.776 7.016 1.00 0.00 C ATOM 300 C ASN A 21 -5.853 -7.288 6.936 1.00 0.00 C ATOM 301 O ASN A 21 -6.891 -7.693 6.439 1.00 0.00 O ATOM 302 CB ASN A 21 -6.976 -5.080 7.259 1.00 0.00 C ATOM 303 CG ASN A 21 -7.283 -5.070 8.757 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.391 -5.201 9.572 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.515 -4.917 9.157 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.976 -8.016 7.371 1.00 0.00 O ATOM 0 H ASN A 21 -5.559 -4.520 5.296 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.955 -5.551 7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.942 -4.060 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.769 -5.596 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.730 -4.907 10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.263 -4.807 8.473 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 14.973 0.142 2.481 1.00 0.00 N ATOM 315 CA PHE B 22 13.617 -0.456 2.643 1.00 0.00 C ATOM 316 C PHE B 22 12.620 0.309 1.780 1.00 0.00 C ATOM 317 O PHE B 22 11.827 -0.266 1.062 1.00 0.00 O ATOM 318 CB PHE B 22 13.189 -0.369 4.109 1.00 0.00 C ATOM 319 CG PHE B 22 13.005 -1.760 4.659 1.00 0.00 C ATOM 320 CD1 PHE B 22 14.100 -2.628 4.737 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.740 -2.182 5.088 1.00 0.00 C ATOM 322 CE1 PHE B 22 13.930 -3.923 5.243 1.00 0.00 C ATOM 323 CE2 PHE B 22 11.570 -3.477 5.595 1.00 0.00 C ATOM 324 CZ PHE B 22 12.666 -4.348 5.673 1.00 0.00 C ATOM 0 HA PHE B 22 13.643 -1.501 2.334 1.00 0.00 H new ATOM 0 HB2 PHE B 22 13.941 0.167 4.688 1.00 0.00 H new ATOM 0 HB3 PHE B 22 12.260 0.194 4.195 1.00 0.00 H new ATOM 0 HD1 PHE B 22 15.075 -2.300 4.408 1.00 0.00 H new ATOM 0 HD2 PHE B 22 10.897 -1.510 5.028 1.00 0.00 H new ATOM 0 HE1 PHE B 22 14.774 -4.594 5.302 1.00 0.00 H new ATOM 0 HE2 PHE B 22 10.595 -3.804 5.926 1.00 0.00 H new ATOM 0 HZ PHE B 22 12.536 -5.346 6.064 1.00 0.00 H new ATOM 336 N VAL B 23 12.661 1.603 1.849 1.00 0.00 N ATOM 337 CA VAL B 23 11.724 2.426 1.035 1.00 0.00 C ATOM 338 C VAL B 23 12.331 3.799 0.793 1.00 0.00 C ATOM 339 O VAL B 23 13.360 4.138 1.340 1.00 0.00 O ATOM 340 CB VAL B 23 10.391 2.601 1.764 1.00 0.00 C ATOM 341 CG1 VAL B 23 9.375 1.615 1.198 1.00 0.00 C ATOM 342 CG2 VAL B 23 10.577 2.347 3.260 1.00 0.00 C ATOM 0 H VAL B 23 13.305 2.133 2.436 1.00 0.00 H new ATOM 0 HA VAL B 23 11.552 1.916 0.087 1.00 0.00 H new ATOM 0 HB VAL B 23 10.032 3.620 1.620 1.00 0.00 H new ATOM 0 HG11 VAL B 23 8.423 1.736 1.715 1.00 0.00 H new ATOM 0 HG12 VAL B 23 9.237 1.806 0.134 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.738 0.597 1.340 1.00 0.00 H new ATOM 0 HG21 VAL B 23 9.623 2.474 3.772 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.939 1.331 3.414 1.00 0.00 H new ATOM 0 HG23 VAL B 23 11.301 3.055 3.662 1.00 0.00 H new ATOM 352 N ASN B 24 11.679 4.585 -0.018 1.00 0.00 N ATOM 353 CA ASN B 24 12.170 5.959 -0.328 1.00 0.00 C ATOM 354 C ASN B 24 11.658 6.369 -1.707 1.00 0.00 C ATOM 355 O ASN B 24 12.408 6.819 -2.550 1.00 0.00 O ATOM 356 CB ASN B 24 13.697 5.993 -0.338 1.00 0.00 C ATOM 357 CG ASN B 24 14.239 4.813 -1.145 1.00 0.00 C ATOM 358 OD1 ASN B 24 13.503 3.913 -1.497 1.00 0.00 O ATOM 359 ND2 ASN B 24 15.507 4.780 -1.455 1.00 0.00 N ATOM 0 H ASN B 24 10.811 4.329 -0.488 1.00 0.00 H new ATOM 0 HA ASN B 24 11.805 6.645 0.436 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.046 6.931 -0.770 1.00 0.00 H new ATOM 0 HB3 ASN B 24 14.077 5.952 0.683 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.880 3.998 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN B 24 16.124 5.536 -1.159 1.00 0.00 H new ATOM 366 N GLN B 25 10.388 6.214 -1.944 1.00 0.00 N ATOM 367 CA GLN B 25 9.830 6.593 -3.271 1.00 0.00 C ATOM 368 C GLN B 25 8.353 6.957 -3.116 1.00 0.00 C ATOM 369 O GLN B 25 7.670 6.471 -2.236 1.00 0.00 O ATOM 370 CB GLN B 25 9.969 5.417 -4.240 1.00 0.00 C ATOM 371 CG GLN B 25 11.126 5.687 -5.206 1.00 0.00 C ATOM 372 CD GLN B 25 12.070 4.482 -5.227 1.00 0.00 C ATOM 373 OE1 GLN B 25 11.921 3.594 -6.042 1.00 0.00 O ATOM 374 NE2 GLN B 25 13.045 4.415 -4.361 1.00 0.00 N ATOM 0 H GLN B 25 9.712 5.842 -1.278 1.00 0.00 H new ATOM 0 HA GLN B 25 10.376 7.451 -3.664 1.00 0.00 H new ATOM 0 HB2 GLN B 25 10.150 4.495 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN B 25 9.042 5.278 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN B 25 10.740 5.877 -6.208 1.00 0.00 H new ATOM 0 HG3 GLN B 25 11.668 6.581 -4.899 1.00 0.00 H new ATOM 0 HE21 GLN B 25 13.171 5.160 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN B 25 13.681 3.617 -4.369 1.00 0.00 H new ATOM 383 N HIS B 26 7.859 7.814 -3.964 1.00 0.00 N ATOM 384 CA HIS B 26 6.431 8.220 -3.869 1.00 0.00 C ATOM 385 C HIS B 26 5.537 7.069 -4.330 1.00 0.00 C ATOM 386 O HIS B 26 5.964 5.936 -4.438 1.00 0.00 O ATOM 387 CB HIS B 26 6.188 9.430 -4.772 1.00 0.00 C ATOM 388 CG HIS B 26 5.290 10.410 -4.072 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.762 11.227 -3.067 1.00 0.00 N ATOM 390 CD2 HIS B 26 3.965 10.697 -4.245 1.00 0.00 C ATOM 391 CE1 HIS B 26 4.727 11.977 -2.665 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.607 11.688 -3.358 1.00 0.00 N ATOM 0 H HIS B 26 8.384 8.252 -4.721 1.00 0.00 H new ATOM 0 HA HIS B 26 6.197 8.474 -2.835 1.00 0.00 H new ATOM 0 HB2 HIS B 26 7.136 9.905 -5.023 1.00 0.00 H new ATOM 0 HB3 HIS B 26 5.734 9.111 -5.710 1.00 0.00 H new ATOM 0 HD2 HIS B 26 3.307 10.225 -4.959 1.00 0.00 H new ATOM 0 HE1 HIS B 26 4.783 12.720 -1.883 1.00 0.00 H new ATOM 0 HE2 HIS B 26 2.687 12.114 -3.248 1.00 0.00 H new ATOM 400 N LEU B 27 4.299 7.362 -4.604 1.00 0.00 N ATOM 401 CA LEU B 27 3.351 6.312 -5.065 1.00 0.00 C ATOM 402 C LEU B 27 2.238 6.992 -5.855 1.00 0.00 C ATOM 403 O LEU B 27 2.320 8.167 -6.123 1.00 0.00 O ATOM 404 CB LEU B 27 2.750 5.606 -3.850 1.00 0.00 C ATOM 405 CG LEU B 27 3.572 4.364 -3.517 1.00 0.00 C ATOM 406 CD1 LEU B 27 3.704 4.230 -2.000 1.00 0.00 C ATOM 407 CD2 LEU B 27 2.865 3.132 -4.076 1.00 0.00 C ATOM 0 H LEU B 27 3.898 8.297 -4.527 1.00 0.00 H new ATOM 0 HA LEU B 27 3.866 5.580 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU B 27 2.734 6.283 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.717 5.326 -4.055 1.00 0.00 H new ATOM 0 HG LEU B 27 4.564 4.452 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.291 3.343 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU B 27 4.202 5.113 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU B 27 2.713 4.139 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU B 27 3.447 2.241 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU B 27 1.875 3.047 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU B 27 2.768 3.228 -5.157 1.00 0.00 H new ATOM 419 N CYS B 28 1.202 6.263 -6.206 1.00 0.00 N ATOM 420 CA CYS B 28 0.048 6.856 -6.964 1.00 0.00 C ATOM 421 C CYS B 28 -0.579 5.791 -7.872 1.00 0.00 C ATOM 422 O CYS B 28 0.107 5.009 -8.500 1.00 0.00 O ATOM 423 CB CYS B 28 0.497 8.040 -7.837 1.00 0.00 C ATOM 424 SG CYS B 28 0.284 9.624 -6.961 1.00 0.00 S ATOM 0 H CYS B 28 1.105 5.269 -5.997 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.678 7.212 -6.233 1.00 0.00 H new ATOM 0 HB2 CYS B 28 1.543 7.913 -8.116 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.080 8.053 -8.762 1.00 0.00 H new ATOM 429 N GLY B 29 -1.885 5.776 -7.947 1.00 0.00 N ATOM 430 CA GLY B 29 -2.605 4.793 -8.815 1.00 0.00 C ATOM 431 C GLY B 29 -1.873 3.446 -8.859 1.00 0.00 C ATOM 432 O GLY B 29 -1.587 2.844 -7.842 1.00 0.00 O ATOM 0 H GLY B 29 -2.494 6.414 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -3.618 4.647 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.694 5.194 -9.825 1.00 0.00 H new ATOM 436 N SER B 30 -1.585 2.964 -10.040 1.00 0.00 N ATOM 437 CA SER B 30 -0.886 1.654 -10.166 1.00 0.00 C ATOM 438 C SER B 30 0.218 1.556 -9.115 1.00 0.00 C ATOM 439 O SER B 30 0.278 0.612 -8.352 1.00 0.00 O ATOM 440 CB SER B 30 -0.271 1.536 -11.561 1.00 0.00 C ATOM 441 OG SER B 30 -1.213 0.936 -12.440 1.00 0.00 O ATOM 0 H SER B 30 -1.805 3.423 -10.924 1.00 0.00 H new ATOM 0 HA SER B 30 -1.603 0.847 -10.013 1.00 0.00 H new ATOM 0 HB2 SER B 30 0.012 2.521 -11.931 1.00 0.00 H new ATOM 0 HB3 SER B 30 0.639 0.937 -11.521 1.00 0.00 H new ATOM 0 HG SER B 30 -0.823 0.860 -13.336 1.00 0.00 H new ATOM 447 N ASP B 31 1.092 2.524 -9.065 1.00 0.00 N ATOM 448 CA ASP B 31 2.188 2.481 -8.059 1.00 0.00 C ATOM 449 C ASP B 31 1.612 2.062 -6.707 1.00 0.00 C ATOM 450 O ASP B 31 2.274 1.425 -5.910 1.00 0.00 O ATOM 451 CB ASP B 31 2.828 3.865 -7.937 1.00 0.00 C ATOM 452 CG ASP B 31 3.505 4.234 -9.259 1.00 0.00 C ATOM 453 OD1 ASP B 31 4.627 3.802 -9.468 1.00 0.00 O ATOM 454 OD2 ASP B 31 2.892 4.944 -10.039 1.00 0.00 O ATOM 0 H ASP B 31 1.094 3.341 -9.676 1.00 0.00 H new ATOM 0 HA ASP B 31 2.945 1.763 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.070 4.607 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.559 3.869 -7.128 1.00 0.00 H new ATOM 459 N LEU B 32 0.380 2.407 -6.442 1.00 0.00 N ATOM 460 CA LEU B 32 -0.230 2.016 -5.141 1.00 0.00 C ATOM 461 C LEU B 32 -0.561 0.527 -5.169 1.00 0.00 C ATOM 462 O LEU B 32 0.142 -0.283 -4.599 1.00 0.00 O ATOM 463 CB LEU B 32 -1.516 2.811 -4.900 1.00 0.00 C ATOM 464 CG LEU B 32 -1.237 3.942 -3.917 1.00 0.00 C ATOM 465 CD1 LEU B 32 -1.139 5.257 -4.687 1.00 0.00 C ATOM 466 CD2 LEU B 32 -2.379 4.028 -2.901 1.00 0.00 C ATOM 0 H LEU B 32 -0.226 2.939 -7.067 1.00 0.00 H new ATOM 0 HA LEU B 32 0.477 2.228 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.888 3.216 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.293 2.156 -4.506 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.301 3.752 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.939 6.072 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -0.329 5.194 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.079 5.445 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.180 4.837 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.316 4.223 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.455 3.086 -2.358 1.00 0.00 H new ATOM 478 N VAL B 33 -1.629 0.163 -5.830 1.00 0.00 N ATOM 479 CA VAL B 33 -2.014 -1.277 -5.892 1.00 0.00 C ATOM 480 C VAL B 33 -0.766 -2.124 -6.101 1.00 0.00 C ATOM 481 O VAL B 33 -0.645 -3.212 -5.574 1.00 0.00 O ATOM 482 CB VAL B 33 -2.984 -1.505 -7.053 1.00 0.00 C ATOM 483 CG1 VAL B 33 -4.130 -0.503 -6.957 1.00 0.00 C ATOM 484 CG2 VAL B 33 -2.246 -1.311 -8.380 1.00 0.00 C ATOM 0 H VAL B 33 -2.250 0.800 -6.329 1.00 0.00 H new ATOM 0 HA VAL B 33 -2.499 -1.561 -4.958 1.00 0.00 H new ATOM 0 HB VAL B 33 -3.381 -2.519 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.823 -0.663 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -4.655 -0.640 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.732 0.511 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -2.937 -1.473 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.850 -0.297 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.425 -2.025 -8.447 1.00 0.00 H new ATOM 494 N GLU B 34 0.170 -1.628 -6.855 1.00 0.00 N ATOM 495 CA GLU B 34 1.414 -2.399 -7.084 1.00 0.00 C ATOM 496 C GLU B 34 2.220 -2.424 -5.787 1.00 0.00 C ATOM 497 O GLU B 34 2.579 -3.470 -5.292 1.00 0.00 O ATOM 498 CB GLU B 34 2.231 -1.728 -8.189 1.00 0.00 C ATOM 499 CG GLU B 34 2.004 -2.466 -9.510 1.00 0.00 C ATOM 500 CD GLU B 34 0.599 -2.158 -10.033 1.00 0.00 C ATOM 501 OE1 GLU B 34 0.323 -0.996 -10.283 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.176 -3.089 -10.173 1.00 0.00 O ATOM 0 H GLU B 34 0.126 -0.722 -7.322 1.00 0.00 H new ATOM 0 HA GLU B 34 1.174 -3.418 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.938 -0.683 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.290 -1.739 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.751 -2.160 -10.242 1.00 0.00 H new ATOM 0 HG3 GLU B 34 2.122 -3.540 -9.364 1.00 0.00 H new ATOM 509 N ALA B 35 2.498 -1.280 -5.224 1.00 0.00 N ATOM 510 CA ALA B 35 3.277 -1.250 -3.954 1.00 0.00 C ATOM 511 C ALA B 35 2.600 -2.152 -2.919 1.00 0.00 C ATOM 512 O ALA B 35 3.205 -3.064 -2.391 1.00 0.00 O ATOM 513 CB ALA B 35 3.338 0.183 -3.421 1.00 0.00 C ATOM 0 H ALA B 35 2.221 -0.368 -5.587 1.00 0.00 H new ATOM 0 HA ALA B 35 4.289 -1.608 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA B 35 3.908 0.202 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.822 0.825 -4.157 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.327 0.545 -3.233 1.00 0.00 H new ATOM 519 N LEU B 36 1.349 -1.915 -2.624 1.00 0.00 N ATOM 520 CA LEU B 36 0.660 -2.783 -1.629 1.00 0.00 C ATOM 521 C LEU B 36 0.748 -4.228 -2.116 1.00 0.00 C ATOM 522 O LEU B 36 0.610 -5.168 -1.357 1.00 0.00 O ATOM 523 CB LEU B 36 -0.819 -2.383 -1.503 1.00 0.00 C ATOM 524 CG LEU B 36 -0.981 -0.871 -1.255 1.00 0.00 C ATOM 525 CD1 LEU B 36 0.318 -0.252 -0.721 1.00 0.00 C ATOM 526 CD2 LEU B 36 -1.367 -0.182 -2.561 1.00 0.00 C ATOM 0 H LEU B 36 0.782 -1.167 -3.024 1.00 0.00 H new ATOM 0 HA LEU B 36 1.136 -2.672 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.350 -2.661 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.277 -2.937 -0.684 1.00 0.00 H new ATOM 0 HG LEU B 36 -1.762 -0.730 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.171 0.815 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.589 -0.731 0.220 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.117 -0.401 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -1.482 0.888 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.587 -0.347 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.308 -0.594 -2.925 1.00 0.00 H new ATOM 538 N TYR B 37 0.975 -4.402 -3.389 1.00 0.00 N ATOM 539 CA TYR B 37 1.072 -5.772 -3.961 1.00 0.00 C ATOM 540 C TYR B 37 2.499 -6.303 -3.792 1.00 0.00 C ATOM 541 O TYR B 37 2.766 -7.467 -4.013 1.00 0.00 O ATOM 542 CB TYR B 37 0.715 -5.720 -5.451 1.00 0.00 C ATOM 543 CG TYR B 37 0.787 -7.149 -6.038 1.00 0.00 C ATOM 544 CD1 TYR B 37 -0.253 -8.082 -5.800 1.00 0.00 C ATOM 545 CD2 TYR B 37 1.895 -7.558 -6.819 1.00 0.00 C ATOM 546 CE1 TYR B 37 -0.180 -9.374 -6.332 1.00 0.00 C ATOM 547 CE2 TYR B 37 1.953 -8.855 -7.343 1.00 0.00 C ATOM 548 CZ TYR B 37 0.918 -9.759 -7.102 1.00 0.00 C ATOM 549 OH TYR B 37 0.982 -11.036 -7.622 1.00 0.00 O ATOM 0 H TYR B 37 1.098 -3.646 -4.062 1.00 0.00 H new ATOM 0 HA TYR B 37 0.381 -6.435 -3.441 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -0.286 -5.309 -5.584 1.00 0.00 H new ATOM 0 HB3 TYR B 37 1.403 -5.061 -5.980 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -1.107 -7.794 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR B 37 2.701 -6.865 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.978 -10.077 -6.146 1.00 0.00 H new ATOM 0 HE2 TYR B 37 2.803 -9.157 -7.937 1.00 0.00 H new ATOM 0 HH TYR B 37 0.469 -11.647 -7.053 1.00 0.00 H new ATOM 559 N LEU B 38 3.418 -5.464 -3.392 1.00 0.00 N ATOM 560 CA LEU B 38 4.821 -5.938 -3.201 1.00 0.00 C ATOM 561 C LEU B 38 5.041 -6.254 -1.724 1.00 0.00 C ATOM 562 O LEU B 38 5.648 -7.245 -1.371 1.00 0.00 O ATOM 563 CB LEU B 38 5.828 -4.861 -3.628 1.00 0.00 C ATOM 564 CG LEU B 38 5.176 -3.872 -4.590 1.00 0.00 C ATOM 565 CD1 LEU B 38 6.167 -2.754 -4.920 1.00 0.00 C ATOM 566 CD2 LEU B 38 4.779 -4.593 -5.876 1.00 0.00 C ATOM 0 H LEU B 38 3.260 -4.477 -3.190 1.00 0.00 H new ATOM 0 HA LEU B 38 4.973 -6.826 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.199 -4.333 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.689 -5.329 -4.106 1.00 0.00 H new ATOM 0 HG LEU B 38 4.287 -3.447 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU B 38 5.702 -2.047 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU B 38 6.450 -2.236 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.056 -3.181 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.314 -3.885 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU B 38 5.667 -5.020 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU B 38 4.073 -5.390 -5.643 1.00 0.00 H new ATOM 578 N VAL B 39 4.553 -5.410 -0.859 1.00 0.00 N ATOM 579 CA VAL B 39 4.732 -5.646 0.598 1.00 0.00 C ATOM 580 C VAL B 39 3.834 -6.804 1.047 1.00 0.00 C ATOM 581 O VAL B 39 4.117 -7.480 2.017 1.00 0.00 O ATOM 582 CB VAL B 39 4.370 -4.366 1.363 1.00 0.00 C ATOM 583 CG1 VAL B 39 4.879 -3.150 0.585 1.00 0.00 C ATOM 584 CG2 VAL B 39 2.851 -4.258 1.527 1.00 0.00 C ATOM 0 H VAL B 39 4.036 -4.564 -1.100 1.00 0.00 H new ATOM 0 HA VAL B 39 5.770 -5.907 0.806 1.00 0.00 H new ATOM 0 HB VAL B 39 4.834 -4.400 2.349 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.623 -2.239 1.126 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.962 -3.215 0.475 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.415 -3.129 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.608 -3.346 2.071 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.380 -4.231 0.544 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.483 -5.121 2.082 1.00 0.00 H new ATOM 594 N CYS B 40 2.755 -7.039 0.351 1.00 0.00 N ATOM 595 CA CYS B 40 1.846 -8.151 0.744 1.00 0.00 C ATOM 596 C CYS B 40 2.050 -9.343 -0.194 1.00 0.00 C ATOM 597 O CYS B 40 1.576 -10.432 0.059 1.00 0.00 O ATOM 598 CB CYS B 40 0.396 -7.675 0.657 1.00 0.00 C ATOM 599 SG CYS B 40 0.195 -6.187 1.666 1.00 0.00 S ATOM 0 H CYS B 40 2.465 -6.510 -0.471 1.00 0.00 H new ATOM 0 HA CYS B 40 2.070 -8.457 1.766 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.132 -7.464 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.278 -8.458 1.005 1.00 0.00 H new ATOM 604 N GLY B 41 2.752 -9.148 -1.277 1.00 0.00 N ATOM 605 CA GLY B 41 2.981 -10.275 -2.224 1.00 0.00 C ATOM 606 C GLY B 41 1.647 -10.953 -2.542 1.00 0.00 C ATOM 607 O GLY B 41 1.598 -12.115 -2.893 1.00 0.00 O ATOM 0 H GLY B 41 3.175 -8.260 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.441 -9.906 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.673 -10.996 -1.788 1.00 0.00 H new ATOM 611 N GLU B 42 0.565 -10.236 -2.423 1.00 0.00 N ATOM 612 CA GLU B 42 -0.765 -10.837 -2.719 1.00 0.00 C ATOM 613 C GLU B 42 -1.188 -11.732 -1.547 1.00 0.00 C ATOM 614 O GLU B 42 -2.142 -12.479 -1.636 1.00 0.00 O ATOM 615 CB GLU B 42 -0.679 -11.637 -4.039 1.00 0.00 C ATOM 616 CG GLU B 42 -0.767 -13.149 -3.785 1.00 0.00 C ATOM 617 CD GLU B 42 -0.261 -13.906 -5.014 1.00 0.00 C ATOM 618 OE1 GLU B 42 -0.559 -13.474 -6.115 1.00 0.00 O ATOM 619 OE2 GLU B 42 0.415 -14.905 -4.833 1.00 0.00 O ATOM 0 H GLU B 42 0.544 -9.258 -2.133 1.00 0.00 H new ATOM 0 HA GLU B 42 -1.517 -10.058 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -1.486 -11.331 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU B 42 0.258 -11.406 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -0.173 -13.416 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -1.797 -13.432 -3.569 1.00 0.00 H new ATOM 626 N ARG B 43 -0.485 -11.661 -0.449 1.00 0.00 N ATOM 627 CA ARG B 43 -0.851 -12.506 0.723 1.00 0.00 C ATOM 628 C ARG B 43 -2.314 -12.255 1.094 1.00 0.00 C ATOM 629 O ARG B 43 -2.865 -11.209 0.812 1.00 0.00 O ATOM 630 CB ARG B 43 0.047 -12.151 1.911 1.00 0.00 C ATOM 631 CG ARG B 43 -0.358 -10.785 2.471 1.00 0.00 C ATOM 632 CD ARG B 43 -1.237 -10.978 3.708 1.00 0.00 C ATOM 633 NE ARG B 43 -0.375 -11.065 4.920 1.00 0.00 N ATOM 634 CZ ARG B 43 -0.709 -10.425 6.006 1.00 0.00 C ATOM 635 NH1 ARG B 43 -1.961 -10.132 6.232 1.00 0.00 N ATOM 636 NH2 ARG B 43 0.208 -10.075 6.866 1.00 0.00 N ATOM 0 H ARG B 43 0.325 -11.056 -0.313 1.00 0.00 H new ATOM 0 HA ARG B 43 -0.716 -13.557 0.469 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -0.040 -12.913 2.686 1.00 0.00 H new ATOM 0 HB3 ARG B 43 1.091 -12.132 1.598 1.00 0.00 H new ATOM 0 HG2 ARG B 43 0.530 -10.209 2.730 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -0.898 -10.216 1.714 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -1.936 -10.147 3.804 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -1.833 -11.885 3.606 1.00 0.00 H new ATOM 0 HE ARG B 43 0.477 -11.626 4.900 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -2.678 -10.404 5.559 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -2.222 -9.631 7.081 1.00 0.00 H new ATOM 0 HH21 ARG B 43 1.187 -10.302 6.689 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -0.054 -9.574 7.715 1.00 0.00 H new ATOM 650 N GLY B 44 -2.948 -13.207 1.722 1.00 0.00 N ATOM 651 CA GLY B 44 -4.376 -13.023 2.111 1.00 0.00 C ATOM 652 C GLY B 44 -5.275 -13.310 0.907 1.00 0.00 C ATOM 653 O GLY B 44 -5.181 -14.349 0.283 1.00 0.00 O ATOM 0 H GLY B 44 -2.539 -14.104 1.983 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -4.629 -13.691 2.934 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -4.539 -12.005 2.465 1.00 0.00 H new ATOM 657 N GLY B 45 -6.148 -12.399 0.574 1.00 0.00 N ATOM 658 CA GLY B 45 -7.052 -12.622 -0.590 1.00 0.00 C ATOM 659 C GLY B 45 -6.579 -11.779 -1.775 1.00 0.00 C ATOM 660 O GLY B 45 -5.768 -12.208 -2.570 1.00 0.00 O ATOM 0 H GLY B 45 -6.274 -11.510 1.058 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -7.059 -13.678 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -8.075 -12.354 -0.326 1.00 0.00 H new ATOM 664 N PHE B 46 -7.079 -10.580 -1.900 1.00 0.00 N ATOM 665 CA PHE B 46 -6.658 -9.709 -3.033 1.00 0.00 C ATOM 666 C PHE B 46 -6.065 -8.406 -2.475 1.00 0.00 C ATOM 667 O PHE B 46 -5.179 -8.433 -1.644 1.00 0.00 O ATOM 668 CB PHE B 46 -7.874 -9.406 -3.916 1.00 0.00 C ATOM 669 CG PHE B 46 -7.380 -8.837 -5.285 1.00 0.00 C ATOM 670 CD1 PHE B 46 -5.986 -8.707 -5.569 1.00 0.00 C ATOM 671 CD2 PHE B 46 -8.300 -8.431 -6.285 1.00 0.00 C ATOM 672 CE1 PHE B 46 -5.557 -8.194 -6.799 1.00 0.00 C ATOM 673 CE2 PHE B 46 -7.847 -7.920 -7.508 1.00 0.00 C ATOM 674 CZ PHE B 46 -6.483 -7.803 -7.764 1.00 0.00 C ATOM 0 H PHE B 46 -7.762 -10.166 -1.265 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.902 -10.214 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -8.459 -10.312 -4.074 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -8.527 -8.686 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -5.258 -9.007 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -9.361 -8.517 -6.102 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -4.500 -8.101 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -8.561 -7.614 -8.258 1.00 0.00 H new ATOM 0 HZ PHE B 46 -6.143 -7.409 -8.710 1.00 0.00 H new ATOM 684 N TYR B 47 -6.536 -7.267 -2.914 1.00 0.00 N ATOM 685 CA TYR B 47 -5.983 -5.988 -2.390 1.00 0.00 C ATOM 686 C TYR B 47 -6.168 -5.939 -0.873 1.00 0.00 C ATOM 687 O TYR B 47 -5.310 -6.356 -0.121 1.00 0.00 O ATOM 688 CB TYR B 47 -6.711 -4.812 -3.052 1.00 0.00 C ATOM 689 CG TYR B 47 -6.130 -3.476 -2.492 1.00 0.00 C ATOM 690 CD1 TYR B 47 -4.754 -3.370 -2.128 1.00 0.00 C ATOM 691 CD2 TYR B 47 -6.948 -2.329 -2.328 1.00 0.00 C ATOM 692 CE1 TYR B 47 -4.242 -2.166 -1.627 1.00 0.00 C ATOM 693 CE2 TYR B 47 -6.415 -1.135 -1.827 1.00 0.00 C ATOM 694 CZ TYR B 47 -5.068 -1.054 -1.479 1.00 0.00 C ATOM 695 OH TYR B 47 -4.553 0.128 -0.986 1.00 0.00 O ATOM 0 H TYR B 47 -7.276 -7.170 -3.609 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.919 -5.922 -2.619 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -6.586 -4.853 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -7.781 -4.871 -2.852 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.103 -4.224 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.994 -2.377 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.199 -2.099 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.052 -0.271 -1.709 1.00 0.00 H new ATOM 0 HH TYR B 47 -4.806 0.867 -1.578 1.00 0.00 H new ATOM 705 N THR B 48 -7.281 -5.441 -0.416 1.00 0.00 N ATOM 706 CA THR B 48 -7.523 -5.373 1.052 1.00 0.00 C ATOM 707 C THR B 48 -8.642 -6.342 1.426 1.00 0.00 C ATOM 708 O THR B 48 -8.406 -7.413 1.949 1.00 0.00 O ATOM 709 CB THR B 48 -7.929 -3.948 1.441 1.00 0.00 C ATOM 710 OG1 THR B 48 -6.886 -3.049 1.090 1.00 0.00 O ATOM 711 CG2 THR B 48 -8.178 -3.882 2.948 1.00 0.00 C ATOM 0 H THR B 48 -8.036 -5.077 -0.997 1.00 0.00 H new ATOM 0 HA THR B 48 -6.611 -5.646 1.583 1.00 0.00 H new ATOM 0 HB THR B 48 -8.841 -3.671 0.912 1.00 0.00 H new ATOM 0 HG1 THR B 48 -6.155 -3.127 1.738 1.00 0.00 H new ATOM 0 HG21 THR B 48 -8.467 -2.868 3.225 1.00 0.00 H new ATOM 0 HG22 THR B 48 -8.978 -4.573 3.215 1.00 0.00 H new ATOM 0 HG23 THR B 48 -7.267 -4.158 3.480 1.00 0.00 H new ATOM 719 N LYS B 49 -9.858 -5.971 1.159 1.00 0.00 N ATOM 720 CA LYS B 49 -11.005 -6.862 1.490 1.00 0.00 C ATOM 721 C LYS B 49 -11.023 -7.139 2.997 1.00 0.00 C ATOM 722 O LYS B 49 -10.367 -8.048 3.465 1.00 0.00 O ATOM 723 CB LYS B 49 -10.859 -8.184 0.732 1.00 0.00 C ATOM 724 CG LYS B 49 -12.234 -8.832 0.563 1.00 0.00 C ATOM 725 CD LYS B 49 -12.700 -8.668 -0.885 1.00 0.00 C ATOM 726 CE LYS B 49 -13.503 -9.901 -1.305 1.00 0.00 C ATOM 727 NZ LYS B 49 -14.716 -9.472 -2.056 1.00 0.00 N ATOM 0 H LYS B 49 -10.111 -5.084 0.723 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.936 -6.375 1.200 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.406 -8.007 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.194 -8.855 1.275 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -12.184 -9.889 0.823 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -12.951 -8.371 1.242 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -13.312 -7.772 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.840 -8.539 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -12.889 -10.553 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -13.791 -10.477 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -15.262 -10.310 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -15.304 -8.866 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -14.430 -8.940 -2.903 1.00 0.00 H new ATOM 741 N PRO B 50 -11.777 -6.342 3.713 1.00 0.00 N ATOM 742 CA PRO B 50 -11.906 -6.472 5.172 1.00 0.00 C ATOM 743 C PRO B 50 -12.840 -7.633 5.528 1.00 0.00 C ATOM 744 O PRO B 50 -13.794 -7.911 4.828 1.00 0.00 O ATOM 745 CB PRO B 50 -12.509 -5.133 5.603 1.00 0.00 C ATOM 746 CG PRO B 50 -13.206 -4.550 4.353 1.00 0.00 C ATOM 747 CD PRO B 50 -12.567 -5.241 3.134 1.00 0.00 C ATOM 0 HA PRO B 50 -10.958 -6.685 5.667 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -13.221 -5.271 6.417 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -11.735 -4.457 5.968 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -14.280 -4.736 4.385 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -13.071 -3.470 4.302 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -13.325 -5.614 2.446 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -11.937 -4.552 2.571 1.00 0.00 H new ATOM 755 N THR B 51 -12.574 -8.311 6.611 1.00 0.00 N ATOM 756 CA THR B 51 -13.448 -9.450 7.011 1.00 0.00 C ATOM 757 C THR B 51 -14.107 -9.137 8.355 1.00 0.00 C ATOM 758 O THR B 51 -15.127 -8.468 8.352 1.00 0.00 O ATOM 759 CB THR B 51 -12.605 -10.721 7.139 1.00 0.00 C ATOM 760 OG1 THR B 51 -11.229 -10.390 7.015 1.00 0.00 O ATOM 761 CG2 THR B 51 -12.997 -11.708 6.038 1.00 0.00 C ATOM 762 OXT THR B 51 -13.580 -9.573 9.366 1.00 0.00 O ATOM 0 H THR B 51 -11.789 -8.125 7.236 1.00 0.00 H new ATOM 0 HA THR B 51 -14.218 -9.601 6.254 1.00 0.00 H new ATOM 0 HB THR B 51 -12.782 -11.178 8.113 1.00 0.00 H new ATOM 0 HG1 THR B 51 -10.688 -11.203 7.099 1.00 0.00 H new ATOM 0 HG21 THR B 51 -12.396 -12.613 6.130 1.00 0.00 H new ATOM 0 HG22 THR B 51 -14.053 -11.962 6.136 1.00 0.00 H new ATOM 0 HG23 THR B 51 -12.822 -11.254 5.063 1.00 0.00 H new TER 770 THR B 51