USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 12 ABA HN2 : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD NoAdj-H: B 12 ABA H : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.0736 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.277 K(o=-0.2,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.75! C(o=-3.7!,f=-7!) USER MOD Single : A 8 THR OG1 : rot 143:sc= 0.504 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=0.12) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0511 X(o=-0.051,f=-0.29) USER MOD Single : B 1 PHE N :NH3+ -142:sc= -2.26! (180deg=-2.63!) USER MOD Single : B 3 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.2!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0.0583 K(o=0.058,f=-4.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.076 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -152:sc= 0.546 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0661 USER MOD Single : B 28 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.412) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.164 6.493 0.822 1.00 0.00 N ATOM 2 CA GLY A 1 -5.749 7.065 0.901 1.00 0.00 C ATOM 3 C GLY A 1 -4.606 6.256 0.389 1.00 0.00 C ATOM 4 O GLY A 1 -3.548 6.215 0.984 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.838 7.179 1.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.407 6.303 -0.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.211 5.607 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.748 8.012 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.546 7.294 1.947 1.00 0.00 H new ATOM 10 N ILE A 2 -4.785 5.595 -0.722 1.00 0.00 N ATOM 11 CA ILE A 2 -3.674 4.766 -1.280 1.00 0.00 C ATOM 12 C ILE A 2 -3.069 5.471 -2.500 1.00 0.00 C ATOM 13 O ILE A 2 -1.901 5.319 -2.800 1.00 0.00 O ATOM 14 CB ILE A 2 -4.204 3.377 -1.674 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.044 2.374 -1.654 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.819 3.413 -3.080 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.465 1.084 -2.360 1.00 0.00 C ATOM 0 H ILE A 2 -5.647 5.592 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.900 4.642 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.974 3.077 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.172 2.802 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.754 2.159 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.188 2.421 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.645 4.124 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.061 3.719 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.638 0.374 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.324 0.652 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.733 1.305 -3.393 1.00 0.00 H new ATOM 29 N VAL A 3 -3.855 6.242 -3.202 1.00 0.00 N ATOM 30 CA VAL A 3 -3.331 6.959 -4.399 1.00 0.00 C ATOM 31 C VAL A 3 -3.021 8.403 -4.020 1.00 0.00 C ATOM 32 O VAL A 3 -2.313 9.104 -4.714 1.00 0.00 O ATOM 33 CB VAL A 3 -4.380 6.934 -5.514 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.682 6.983 -6.871 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.200 5.648 -5.414 1.00 0.00 C ATOM 0 H VAL A 3 -4.841 6.406 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.423 6.469 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.039 7.796 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.429 6.965 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.095 7.898 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.023 6.120 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.947 5.630 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.540 4.787 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.699 5.609 -4.446 1.00 0.00 H new ATOM 45 N GLU A 4 -3.543 8.847 -2.916 1.00 0.00 N ATOM 46 CA GLU A 4 -3.281 10.242 -2.471 1.00 0.00 C ATOM 47 C GLU A 4 -2.024 10.253 -1.602 1.00 0.00 C ATOM 48 O GLU A 4 -1.405 11.278 -1.397 1.00 0.00 O ATOM 49 CB GLU A 4 -4.475 10.752 -1.661 1.00 0.00 C ATOM 50 CG GLU A 4 -4.192 12.173 -1.169 1.00 0.00 C ATOM 51 CD GLU A 4 -4.204 13.139 -2.355 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.202 13.211 -3.046 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.216 13.793 -2.550 1.00 0.00 O ATOM 0 H GLU A 4 -4.144 8.302 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.136 10.889 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.375 10.742 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.660 10.093 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.942 12.471 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.225 12.209 -0.667 1.00 0.00 H new ATOM 60 N GLN A 5 -1.641 9.114 -1.096 1.00 0.00 N ATOM 61 CA GLN A 5 -0.420 9.044 -0.246 1.00 0.00 C ATOM 62 C GLN A 5 0.715 8.404 -1.047 1.00 0.00 C ATOM 63 O GLN A 5 1.852 8.378 -0.621 1.00 0.00 O ATOM 64 CB GLN A 5 -0.711 8.192 0.993 1.00 0.00 C ATOM 65 CG GLN A 5 -0.440 9.015 2.252 1.00 0.00 C ATOM 66 CD GLN A 5 1.068 9.210 2.420 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.853 8.613 1.710 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.509 10.028 3.336 1.00 0.00 N ATOM 0 H GLN A 5 -2.123 8.226 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.130 10.048 0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.748 7.856 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.087 7.299 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.937 9.983 2.181 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.851 8.509 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.850 10.529 3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.512 10.166 3.456 1.00 0.00 H new ATOM 77 N CYS A 6 0.409 7.877 -2.201 1.00 0.00 N ATOM 78 CA CYS A 6 1.455 7.226 -3.039 1.00 0.00 C ATOM 79 C CYS A 6 1.797 8.118 -4.229 1.00 0.00 C ATOM 80 O CYS A 6 2.948 8.374 -4.519 1.00 0.00 O ATOM 81 CB CYS A 6 0.903 5.919 -3.569 1.00 0.00 C ATOM 82 SG CYS A 6 0.842 4.702 -2.243 1.00 0.00 S ATOM 0 H CYS A 6 -0.529 7.870 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 6 2.348 7.058 -2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.095 6.074 -3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.528 5.553 -4.383 1.00 0.00 H new ATOM 87 N CYS A 7 0.795 8.575 -4.928 1.00 0.00 N ATOM 88 CA CYS A 7 1.038 9.442 -6.110 1.00 0.00 C ATOM 89 C CYS A 7 1.529 10.806 -5.622 1.00 0.00 C ATOM 90 O CYS A 7 2.320 11.464 -6.268 1.00 0.00 O ATOM 91 CB CYS A 7 -0.273 9.610 -6.885 1.00 0.00 C ATOM 92 SG CYS A 7 0.079 9.780 -8.653 1.00 0.00 S ATOM 0 H CYS A 7 -0.187 8.383 -4.728 1.00 0.00 H new ATOM 0 HA CYS A 7 1.787 8.994 -6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.920 8.750 -6.715 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.809 10.488 -6.525 1.00 0.00 H new ATOM 97 N THR A 8 1.066 11.227 -4.476 1.00 0.00 N ATOM 98 CA THR A 8 1.500 12.541 -3.926 1.00 0.00 C ATOM 99 C THR A 8 2.577 12.303 -2.865 1.00 0.00 C ATOM 100 O THR A 8 3.541 13.037 -2.767 1.00 0.00 O ATOM 101 CB THR A 8 0.301 13.251 -3.292 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.564 13.720 -4.316 1.00 0.00 O ATOM 103 CG2 THR A 8 0.787 14.432 -2.451 1.00 0.00 C ATOM 0 H THR A 8 0.403 10.714 -3.895 1.00 0.00 H new ATOM 0 HA THR A 8 1.902 13.163 -4.726 1.00 0.00 H new ATOM 0 HB THR A 8 -0.237 12.552 -2.652 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.495 13.626 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.069 14.935 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.450 14.070 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.327 15.133 -3.087 1.00 0.00 H new ATOM 111 N SER A 9 2.421 11.279 -2.071 1.00 0.00 N ATOM 112 CA SER A 9 3.436 10.989 -1.022 1.00 0.00 C ATOM 113 C SER A 9 4.010 9.590 -1.249 1.00 0.00 C ATOM 114 O SER A 9 3.734 8.949 -2.243 1.00 0.00 O ATOM 115 CB SER A 9 2.781 11.056 0.358 1.00 0.00 C ATOM 116 OG SER A 9 2.492 12.411 0.674 1.00 0.00 O ATOM 0 H SER A 9 1.634 10.631 -2.104 1.00 0.00 H new ATOM 0 HA SER A 9 4.237 11.726 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.865 10.465 0.368 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.445 10.629 1.110 1.00 0.00 H new ATOM 0 HG SER A 9 2.070 12.458 1.557 1.00 0.00 H new ATOM 122 N ILE A 10 4.811 9.110 -0.338 1.00 0.00 N ATOM 123 CA ILE A 10 5.402 7.753 -0.510 1.00 0.00 C ATOM 124 C ILE A 10 4.640 6.730 0.337 1.00 0.00 C ATOM 125 O ILE A 10 4.202 7.018 1.433 1.00 0.00 O ATOM 126 CB ILE A 10 6.865 7.778 -0.066 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.624 8.855 -0.847 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.493 6.413 -0.335 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.669 8.478 -2.330 1.00 0.00 C ATOM 0 H ILE A 10 5.081 9.597 0.516 1.00 0.00 H new ATOM 0 HA ILE A 10 5.334 7.469 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 10 6.919 8.004 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.136 9.821 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.636 8.956 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.537 6.424 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.954 5.648 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.438 6.191 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.209 9.245 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.177 7.521 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.653 8.399 -2.716 1.00 0.00 H new ATOM 141 N CYS A 11 4.500 5.524 -0.153 1.00 0.00 N ATOM 142 CA CYS A 11 3.791 4.473 0.637 1.00 0.00 C ATOM 143 C CYS A 11 4.816 3.491 1.185 1.00 0.00 C ATOM 144 O CYS A 11 5.324 2.651 0.471 1.00 0.00 O ATOM 145 CB CYS A 11 2.799 3.675 -0.218 1.00 0.00 C ATOM 146 SG CYS A 11 2.781 4.266 -1.924 1.00 0.00 S ATOM 0 H CYS A 11 4.845 5.223 -1.064 1.00 0.00 H new ATOM 0 HA CYS A 11 3.242 4.979 1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.067 2.619 -0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.799 3.758 0.208 1.00 0.00 H new ATOM 151 N SER A 12 5.105 3.565 2.447 1.00 0.00 N ATOM 152 CA SER A 12 6.074 2.607 3.025 1.00 0.00 C ATOM 153 C SER A 12 5.447 1.221 2.952 1.00 0.00 C ATOM 154 O SER A 12 4.314 1.039 3.341 1.00 0.00 O ATOM 155 CB SER A 12 6.350 2.977 4.481 1.00 0.00 C ATOM 156 OG SER A 12 5.345 3.875 4.933 1.00 0.00 O ATOM 0 H SER A 12 4.714 4.244 3.100 1.00 0.00 H new ATOM 0 HA SER A 12 7.016 2.629 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.359 2.081 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.334 3.438 4.572 1.00 0.00 H new ATOM 0 HG SER A 12 5.517 4.114 5.868 1.00 0.00 H new ATOM 162 N LEU A 13 6.152 0.251 2.431 1.00 0.00 N ATOM 163 CA LEU A 13 5.560 -1.123 2.320 1.00 0.00 C ATOM 164 C LEU A 13 4.726 -1.418 3.566 1.00 0.00 C ATOM 165 O LEU A 13 3.768 -2.161 3.513 1.00 0.00 O ATOM 166 CB LEU A 13 6.615 -2.245 2.161 1.00 0.00 C ATOM 167 CG LEU A 13 8.053 -1.725 2.198 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.337 -0.898 0.945 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.261 -0.887 3.461 1.00 0.00 C ATOM 0 H LEU A 13 7.105 0.345 2.079 1.00 0.00 H new ATOM 0 HA LEU A 13 4.951 -1.121 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.479 -2.978 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.446 -2.763 1.217 1.00 0.00 H new ATOM 0 HG LEU A 13 8.747 -2.565 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.363 -0.530 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.202 -1.520 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.650 -0.053 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.286 -0.517 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.570 -0.044 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.075 -1.503 4.341 1.00 0.00 H new ATOM 181 N TYR A 14 5.066 -0.829 4.685 1.00 0.00 N ATOM 182 CA TYR A 14 4.271 -1.074 5.915 1.00 0.00 C ATOM 183 C TYR A 14 2.859 -0.560 5.695 1.00 0.00 C ATOM 184 O TYR A 14 1.888 -1.191 6.065 1.00 0.00 O ATOM 185 CB TYR A 14 4.909 -0.353 7.103 1.00 0.00 C ATOM 186 CG TYR A 14 4.233 -0.801 8.374 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.225 -2.158 8.721 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.610 0.139 9.204 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.593 -2.576 9.899 1.00 0.00 C ATOM 190 CE2 TYR A 14 2.978 -0.278 10.382 1.00 0.00 C ATOM 191 CZ TYR A 14 2.969 -1.635 10.730 1.00 0.00 C ATOM 192 OH TYR A 14 2.343 -2.046 11.890 1.00 0.00 O ATOM 0 H TYR A 14 5.856 -0.193 4.795 1.00 0.00 H new ATOM 0 HA TYR A 14 4.246 -2.142 6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.976 -0.573 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.810 0.726 6.985 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.706 -2.882 8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.617 1.185 8.936 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.586 -3.622 10.167 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.497 0.447 11.022 1.00 0.00 H new ATOM 0 HH TYR A 14 1.963 -1.268 12.350 1.00 0.00 H new ATOM 202 N GLN A 15 2.739 0.571 5.075 1.00 0.00 N ATOM 203 CA GLN A 15 1.393 1.121 4.802 1.00 0.00 C ATOM 204 C GLN A 15 0.737 0.267 3.711 1.00 0.00 C ATOM 205 O GLN A 15 -0.453 0.013 3.747 1.00 0.00 O ATOM 206 CB GLN A 15 1.509 2.582 4.357 1.00 0.00 C ATOM 207 CG GLN A 15 2.177 3.400 5.465 1.00 0.00 C ATOM 208 CD GLN A 15 2.468 4.813 4.954 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.586 5.031 3.765 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.590 5.791 5.811 1.00 0.00 N ATOM 0 H GLN A 15 3.518 1.141 4.744 1.00 0.00 H new ATOM 0 HA GLN A 15 0.779 1.093 5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.092 2.649 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.521 2.986 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.528 3.445 6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.103 2.918 5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.491 5.609 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.784 6.737 5.481 1.00 0.00 H new ATOM 219 N LEU A 16 1.502 -0.230 2.763 1.00 0.00 N ATOM 220 CA LEU A 16 0.894 -1.097 1.730 1.00 0.00 C ATOM 221 C LEU A 16 0.834 -2.520 2.273 1.00 0.00 C ATOM 222 O LEU A 16 0.261 -3.408 1.673 1.00 0.00 O ATOM 223 CB LEU A 16 1.703 -1.051 0.441 1.00 0.00 C ATOM 224 CG LEU A 16 0.764 -1.085 -0.759 1.00 0.00 C ATOM 225 CD1 LEU A 16 -0.308 -0.002 -0.643 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.568 -0.864 -2.037 1.00 0.00 C ATOM 0 H LEU A 16 2.505 -0.069 2.670 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.111 -0.744 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.310 -0.146 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.390 -1.897 0.401 1.00 0.00 H new ATOM 0 HG LEU A 16 0.273 -2.058 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.966 -0.047 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.892 -0.163 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.168 0.978 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.898 -0.888 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.065 0.105 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.315 -1.651 -2.137 1.00 0.00 H new ATOM 238 N GLU A 17 1.384 -2.727 3.442 1.00 0.00 N ATOM 239 CA GLU A 17 1.320 -4.068 4.071 1.00 0.00 C ATOM 240 C GLU A 17 -0.063 -4.221 4.700 1.00 0.00 C ATOM 241 O GLU A 17 -0.349 -5.191 5.373 1.00 0.00 O ATOM 242 CB GLU A 17 2.398 -4.178 5.152 1.00 0.00 C ATOM 243 CG GLU A 17 3.155 -5.498 4.990 1.00 0.00 C ATOM 244 CD GLU A 17 4.589 -5.330 5.493 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.172 -4.291 5.227 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.081 -6.243 6.136 1.00 0.00 O ATOM 0 H GLU A 17 1.876 -2.018 3.986 1.00 0.00 H new ATOM 0 HA GLU A 17 1.489 -4.850 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.090 -3.339 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.942 -4.128 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.653 -6.288 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.159 -5.801 3.943 1.00 0.00 H new ATOM 253 N ASN A 18 -0.930 -3.263 4.479 1.00 0.00 N ATOM 254 CA ASN A 18 -2.298 -3.352 5.060 1.00 0.00 C ATOM 255 C ASN A 18 -3.324 -3.399 3.925 1.00 0.00 C ATOM 256 O ASN A 18 -4.513 -3.273 4.144 1.00 0.00 O ATOM 257 CB ASN A 18 -2.563 -2.128 5.937 1.00 0.00 C ATOM 258 CG ASN A 18 -3.279 -2.562 7.218 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.434 -2.940 7.184 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.640 -2.523 8.356 1.00 0.00 N ATOM 0 H ASN A 18 -0.747 -2.428 3.923 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.380 -4.254 5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.623 -1.634 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.172 -1.404 5.395 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.110 -2.809 9.215 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.671 -2.206 8.386 1.00 0.00 H new ATOM 267 N TYR A 19 -2.873 -3.580 2.712 1.00 0.00 N ATOM 268 CA TYR A 19 -3.820 -3.636 1.563 1.00 0.00 C ATOM 269 C TYR A 19 -3.844 -5.053 0.992 1.00 0.00 C ATOM 270 O TYR A 19 -4.105 -5.259 -0.176 1.00 0.00 O ATOM 271 CB TYR A 19 -3.373 -2.651 0.481 1.00 0.00 C ATOM 272 CG TYR A 19 -3.678 -1.245 0.935 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.840 -0.611 1.862 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.802 -0.576 0.434 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.126 0.693 2.287 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.089 0.728 0.859 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.251 1.363 1.785 1.00 0.00 C ATOM 278 OH TYR A 19 -4.533 2.648 2.204 1.00 0.00 O ATOM 0 H TYR A 19 -1.889 -3.691 2.468 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.820 -3.366 1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.305 -2.761 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.888 -2.863 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.974 -1.127 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.448 -1.065 -0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.480 1.182 3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.956 1.243 0.473 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.346 2.966 1.759 1.00 0.00 H new ATOM 288 N CYS A 20 -3.575 -6.034 1.809 1.00 0.00 N ATOM 289 CA CYS A 20 -3.585 -7.435 1.312 1.00 0.00 C ATOM 290 C CYS A 20 -4.831 -8.154 1.828 1.00 0.00 C ATOM 291 O CYS A 20 -5.308 -7.887 2.914 1.00 0.00 O ATOM 292 CB CYS A 20 -2.338 -8.166 1.807 1.00 0.00 C ATOM 293 SG CYS A 20 -0.859 -7.279 1.263 1.00 0.00 S ATOM 0 H CYS A 20 -3.349 -5.924 2.798 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.593 -7.428 0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.353 -8.236 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.325 -9.186 1.422 1.00 0.00 H new ATOM 298 N ASN A 21 -5.361 -9.066 1.062 1.00 0.00 N ATOM 299 CA ASN A 21 -6.575 -9.799 1.514 1.00 0.00 C ATOM 300 C ASN A 21 -6.188 -10.787 2.615 1.00 0.00 C ATOM 301 O ASN A 21 -5.001 -10.969 2.830 1.00 0.00 O ATOM 302 CB ASN A 21 -7.183 -10.557 0.332 1.00 0.00 C ATOM 303 CG ASN A 21 -8.566 -9.984 0.020 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.383 -9.823 0.906 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.868 -9.666 -1.210 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.085 -11.344 3.226 1.00 0.00 O ATOM 0 H ASN A 21 -5.007 -9.335 0.144 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.307 -9.091 1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.536 -10.471 -0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.261 -11.618 0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.788 -9.283 -1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.184 -9.801 -1.954 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.467 3.878 4.933 1.00 0.00 N ATOM 315 CA PHE B 1 10.936 3.830 4.690 1.00 0.00 C ATOM 316 C PHE B 1 11.201 3.881 3.182 1.00 0.00 C ATOM 317 O PHE B 1 11.672 4.870 2.659 1.00 0.00 O ATOM 318 CB PHE B 1 11.501 2.530 5.271 1.00 0.00 C ATOM 319 CG PHE B 1 12.887 2.286 4.728 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.904 3.223 4.955 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.157 1.124 3.995 1.00 0.00 C ATOM 322 CE1 PHE B 1 15.191 2.997 4.448 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.443 0.897 3.489 1.00 0.00 C ATOM 324 CZ PHE B 1 15.460 1.834 3.715 1.00 0.00 C ATOM 0 H1 PHE B 1 9.273 4.456 5.776 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.992 4.298 4.108 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.109 2.914 5.085 1.00 0.00 H new ATOM 0 HA PHE B 1 11.419 4.681 5.170 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.532 2.591 6.359 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.849 1.694 5.017 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.696 4.119 5.521 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.373 0.402 3.820 1.00 0.00 H new ATOM 0 HE1 PHE B 1 15.975 3.719 4.622 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.651 -0.000 2.925 1.00 0.00 H new ATOM 0 HZ PHE B 1 16.451 1.660 3.324 1.00 0.00 H new ATOM 336 N VAL B 2 10.904 2.819 2.482 1.00 0.00 N ATOM 337 CA VAL B 2 11.141 2.807 1.011 1.00 0.00 C ATOM 338 C VAL B 2 10.451 4.016 0.373 1.00 0.00 C ATOM 339 O VAL B 2 9.264 4.220 0.533 1.00 0.00 O ATOM 340 CB VAL B 2 10.570 1.522 0.409 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.036 1.386 -1.042 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.066 0.319 1.214 1.00 0.00 C ATOM 0 H VAL B 2 10.508 1.961 2.865 1.00 0.00 H new ATOM 0 HA VAL B 2 12.213 2.853 0.818 1.00 0.00 H new ATOM 0 HB VAL B 2 9.481 1.560 0.440 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.629 0.470 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.687 2.243 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.125 1.348 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.660 -0.598 0.786 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.155 0.283 1.181 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.737 0.413 2.249 1.00 0.00 H new ATOM 352 N ASN B 3 11.185 4.817 -0.349 1.00 0.00 N ATOM 353 CA ASN B 3 10.570 6.010 -0.998 1.00 0.00 C ATOM 354 C ASN B 3 9.920 5.592 -2.319 1.00 0.00 C ATOM 355 O ASN B 3 10.285 6.063 -3.378 1.00 0.00 O ATOM 356 CB ASN B 3 11.651 7.056 -1.271 1.00 0.00 C ATOM 357 CG ASN B 3 12.827 6.396 -1.990 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.641 5.503 -2.793 1.00 0.00 O ATOM 359 ND2 ASN B 3 14.039 6.800 -1.732 1.00 0.00 N ATOM 0 H ASN B 3 12.184 4.697 -0.518 1.00 0.00 H new ATOM 0 HA ASN B 3 9.813 6.434 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.245 7.864 -1.880 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.987 7.501 -0.334 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.832 6.367 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.194 7.550 -1.058 1.00 0.00 H new ATOM 366 N GLN B 4 8.962 4.707 -2.265 1.00 0.00 N ATOM 367 CA GLN B 4 8.295 4.257 -3.521 1.00 0.00 C ATOM 368 C GLN B 4 6.947 4.963 -3.692 1.00 0.00 C ATOM 369 O GLN B 4 6.002 4.706 -2.975 1.00 0.00 O ATOM 370 CB GLN B 4 8.070 2.746 -3.466 1.00 0.00 C ATOM 371 CG GLN B 4 7.943 2.202 -4.889 1.00 0.00 C ATOM 372 CD GLN B 4 9.177 1.365 -5.230 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.288 0.228 -4.817 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.118 1.884 -5.971 1.00 0.00 N ATOM 0 H GLN B 4 8.613 4.277 -1.409 1.00 0.00 H new ATOM 0 HA GLN B 4 8.936 4.506 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.900 2.262 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.168 2.522 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.043 1.594 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.843 3.025 -5.596 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.026 2.839 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.946 1.335 -6.203 1.00 0.00 H new ATOM 383 N HIS B 5 6.849 5.837 -4.655 1.00 0.00 N ATOM 384 CA HIS B 5 5.562 6.548 -4.899 1.00 0.00 C ATOM 385 C HIS B 5 4.913 5.955 -6.152 1.00 0.00 C ATOM 386 O HIS B 5 5.568 5.765 -7.159 1.00 0.00 O ATOM 387 CB HIS B 5 5.842 8.035 -5.115 1.00 0.00 C ATOM 388 CG HIS B 5 6.727 8.209 -6.322 1.00 0.00 C ATOM 389 ND1 HIS B 5 7.933 7.548 -6.429 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.568 8.956 -7.457 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.465 7.906 -7.607 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.666 8.766 -8.271 1.00 0.00 N ATOM 0 H HIS B 5 7.609 6.091 -5.287 1.00 0.00 H new ATOM 0 HA HIS B 5 4.894 6.432 -4.045 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.906 8.576 -5.256 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.324 8.457 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.722 9.590 -7.679 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.415 7.550 -7.978 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.837 9.188 -9.184 1.00 0.00 H new ATOM 400 N LEU B 6 3.643 5.638 -6.108 1.00 0.00 N ATOM 401 CA LEU B 6 3.002 5.036 -7.318 1.00 0.00 C ATOM 402 C LEU B 6 1.478 5.217 -7.300 1.00 0.00 C ATOM 403 O LEU B 6 0.855 5.269 -6.263 1.00 0.00 O ATOM 404 CB LEU B 6 3.340 3.555 -7.435 1.00 0.00 C ATOM 405 CG LEU B 6 4.061 3.087 -6.203 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.128 3.278 -5.028 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.417 1.622 -6.376 1.00 0.00 C ATOM 0 H LEU B 6 3.031 5.767 -5.302 1.00 0.00 H new ATOM 0 HA LEU B 6 3.401 5.562 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.427 2.976 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.961 3.385 -8.315 1.00 0.00 H new ATOM 0 HG LEU B 6 4.980 3.649 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.621 2.947 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.867 4.333 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.222 2.692 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.941 1.268 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.506 1.040 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.060 1.504 -7.248 1.00 0.00 H new ATOM 419 N CYS B 7 0.878 5.311 -8.460 1.00 0.00 N ATOM 420 CA CYS B 7 -0.606 5.492 -8.535 1.00 0.00 C ATOM 421 C CYS B 7 -1.191 4.508 -9.566 1.00 0.00 C ATOM 422 O CYS B 7 -0.473 3.739 -10.171 1.00 0.00 O ATOM 423 CB CYS B 7 -0.955 6.936 -8.950 1.00 0.00 C ATOM 424 SG CYS B 7 0.549 7.910 -9.256 1.00 0.00 S ATOM 0 H CYS B 7 1.353 5.270 -9.362 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.033 5.296 -7.551 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.571 6.921 -9.849 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.546 7.410 -8.166 1.00 0.00 H new ATOM 429 N GLY B 8 -2.487 4.529 -9.772 1.00 0.00 N ATOM 430 CA GLY B 8 -3.119 3.599 -10.769 1.00 0.00 C ATOM 431 C GLY B 8 -2.443 2.223 -10.716 1.00 0.00 C ATOM 432 O GLY B 8 -2.114 1.727 -9.662 1.00 0.00 O ATOM 0 H GLY B 8 -3.138 5.151 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.183 3.497 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.032 4.016 -11.772 1.00 0.00 H new ATOM 436 N SER B 9 -2.227 1.599 -11.849 1.00 0.00 N ATOM 437 CA SER B 9 -1.559 0.262 -11.841 1.00 0.00 C ATOM 438 C SER B 9 -0.367 0.334 -10.892 1.00 0.00 C ATOM 439 O SER B 9 -0.148 -0.545 -10.082 1.00 0.00 O ATOM 440 CB SER B 9 -1.074 -0.082 -13.249 1.00 0.00 C ATOM 441 OG SER B 9 -1.032 1.102 -14.033 1.00 0.00 O ATOM 0 H SER B 9 -2.482 1.955 -12.770 1.00 0.00 H new ATOM 0 HA SER B 9 -2.259 -0.507 -11.514 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.085 -0.538 -13.204 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.741 -0.812 -13.708 1.00 0.00 H new ATOM 0 HG SER B 9 -0.720 0.885 -14.936 1.00 0.00 H new ATOM 447 N ASP B 10 0.388 1.397 -10.972 1.00 0.00 N ATOM 448 CA ASP B 10 1.552 1.563 -10.062 1.00 0.00 C ATOM 449 C ASP B 10 1.119 1.149 -8.650 1.00 0.00 C ATOM 450 O ASP B 10 1.908 0.653 -7.869 1.00 0.00 O ATOM 451 CB ASP B 10 2.011 3.021 -10.120 1.00 0.00 C ATOM 452 CG ASP B 10 3.498 3.070 -10.480 1.00 0.00 C ATOM 453 OD1 ASP B 10 4.169 2.071 -10.284 1.00 0.00 O ATOM 454 OD2 ASP B 10 3.941 4.109 -10.942 1.00 0.00 O ATOM 0 H ASP B 10 0.245 2.160 -11.633 1.00 0.00 H new ATOM 0 HA ASP B 10 2.392 0.935 -10.359 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.428 3.569 -10.860 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.842 3.506 -9.159 1.00 0.00 H new ATOM 459 N LEU B 11 -0.150 1.283 -8.341 1.00 0.00 N ATOM 460 CA LEU B 11 -0.649 0.822 -7.010 1.00 0.00 C ATOM 461 C LEU B 11 -0.737 -0.694 -7.091 1.00 0.00 C ATOM 462 O LEU B 11 -0.165 -1.423 -6.304 1.00 0.00 O ATOM 463 CB LEU B 11 -2.077 1.346 -6.753 1.00 0.00 C ATOM 464 CG LEU B 11 -2.152 2.374 -5.614 1.00 0.00 C ATOM 465 CD1 LEU B 11 -0.954 2.260 -4.661 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.208 3.767 -6.239 1.00 0.00 C ATOM 0 H LEU B 11 -0.858 1.690 -8.952 1.00 0.00 H new ATOM 0 HA LEU B 11 0.012 1.177 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.460 1.799 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.728 0.504 -6.517 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.044 2.185 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.046 3.005 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.933 1.263 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.031 2.431 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.262 4.518 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.313 3.933 -6.838 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.090 3.845 -6.875 1.00 0.00 H new HETATM 478 N ABA B 12 -1.458 -1.154 -8.074 1.00 0.00 N HETATM 479 CA ABA B 12 -1.625 -2.617 -8.288 1.00 0.00 C HETATM 480 C ABA B 12 -0.245 -3.281 -8.279 1.00 0.00 C HETATM 481 O ABA B 12 -0.118 -4.466 -8.045 1.00 0.00 O HETATM 482 CB ABA B 12 -2.294 -2.841 -9.656 1.00 0.00 C HETATM 483 CG ABA B 12 -3.105 -4.131 -9.649 1.00 0.00 C HETATM 0 HG3 ABA B 12 -3.878 -4.071 -8.883 1.00 0.00 H new HETATM 0 HG2 ABA B 12 -2.447 -4.973 -9.435 1.00 0.00 H new HETATM 0 HG1 ABA B 12 -3.571 -4.273 -10.624 1.00 0.00 H new HETATM 0 HB3 ABA B 12 -1.534 -2.887 -10.436 1.00 0.00 H new HETATM 0 HB2 ABA B 12 -2.943 -1.998 -9.892 1.00 0.00 H new HETATM 0 HA ABA B 12 -2.242 -3.048 -7.500 1.00 0.00 H new ATOM 491 N GLU B 13 0.792 -2.524 -8.536 1.00 0.00 N ATOM 492 CA GLU B 13 2.169 -3.111 -8.547 1.00 0.00 C ATOM 493 C GLU B 13 2.686 -3.240 -7.121 1.00 0.00 C ATOM 494 O GLU B 13 2.900 -4.331 -6.637 1.00 0.00 O ATOM 495 CB GLU B 13 3.124 -2.218 -9.333 1.00 0.00 C ATOM 496 CG GLU B 13 3.580 -2.943 -10.602 1.00 0.00 C ATOM 497 CD GLU B 13 4.146 -1.928 -11.595 1.00 0.00 C ATOM 498 OE1 GLU B 13 3.364 -1.359 -12.341 1.00 0.00 O ATOM 499 OE2 GLU B 13 5.350 -1.736 -11.596 1.00 0.00 O ATOM 0 H GLU B 13 0.746 -1.525 -8.739 1.00 0.00 H new ATOM 0 HA GLU B 13 2.119 -4.092 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.630 -1.282 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.987 -1.962 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.337 -3.688 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.742 -3.477 -11.050 1.00 0.00 H new ATOM 506 N ALA B 14 2.881 -2.138 -6.434 1.00 0.00 N ATOM 507 CA ALA B 14 3.368 -2.227 -5.028 1.00 0.00 C ATOM 508 C ALA B 14 2.537 -3.304 -4.351 1.00 0.00 C ATOM 509 O ALA B 14 3.040 -4.185 -3.686 1.00 0.00 O ATOM 510 CB ALA B 14 3.167 -0.882 -4.328 1.00 0.00 C ATOM 0 H ALA B 14 2.725 -1.193 -6.785 1.00 0.00 H new ATOM 0 HA ALA B 14 4.430 -2.470 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.524 -0.950 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.726 -0.110 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.107 -0.627 -4.328 1.00 0.00 H new ATOM 516 N LEU B 15 1.260 -3.255 -4.581 1.00 0.00 N ATOM 517 CA LEU B 15 0.348 -4.290 -4.034 1.00 0.00 C ATOM 518 C LEU B 15 0.799 -5.654 -4.564 1.00 0.00 C ATOM 519 O LEU B 15 0.870 -6.628 -3.842 1.00 0.00 O ATOM 520 CB LEU B 15 -1.069 -4.030 -4.556 1.00 0.00 C ATOM 521 CG LEU B 15 -1.696 -2.787 -3.914 1.00 0.00 C ATOM 522 CD1 LEU B 15 -3.207 -2.958 -3.918 1.00 0.00 C ATOM 523 CD2 LEU B 15 -1.210 -2.598 -2.476 1.00 0.00 C ATOM 0 H LEU B 15 0.802 -2.530 -5.134 1.00 0.00 H new ATOM 0 HA LEU B 15 0.364 -4.266 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.040 -3.904 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.696 -4.899 -4.353 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.402 -1.906 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.673 -2.083 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.558 -3.066 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.474 -3.848 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.673 -1.708 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.484 -3.470 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.126 -2.481 -2.471 1.00 0.00 H new ATOM 535 N TYR B 16 1.090 -5.718 -5.838 1.00 0.00 N ATOM 536 CA TYR B 16 1.526 -7.003 -6.458 1.00 0.00 C ATOM 537 C TYR B 16 2.926 -7.374 -5.969 1.00 0.00 C ATOM 538 O TYR B 16 3.255 -8.534 -5.824 1.00 0.00 O ATOM 539 CB TYR B 16 1.564 -6.837 -7.977 1.00 0.00 C ATOM 540 CG TYR B 16 0.424 -7.595 -8.615 1.00 0.00 C ATOM 541 CD1 TYR B 16 0.287 -8.972 -8.402 1.00 0.00 C ATOM 542 CD2 TYR B 16 -0.495 -6.916 -9.427 1.00 0.00 C ATOM 543 CE1 TYR B 16 -0.771 -9.671 -9.003 1.00 0.00 C ATOM 544 CE2 TYR B 16 -1.551 -7.613 -10.027 1.00 0.00 C ATOM 545 CZ TYR B 16 -1.690 -8.990 -9.814 1.00 0.00 C ATOM 546 OH TYR B 16 -2.731 -9.677 -10.407 1.00 0.00 O ATOM 0 H TYR B 16 1.043 -4.927 -6.480 1.00 0.00 H new ATOM 0 HA TYR B 16 0.825 -7.789 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.497 -5.780 -8.236 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.515 -7.201 -8.366 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.995 -9.495 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.388 -5.854 -9.590 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.877 -10.733 -8.841 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.258 -7.089 -10.653 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.275 -9.055 -10.934 1.00 0.00 H new ATOM 556 N LEU B 17 3.760 -6.401 -5.725 1.00 0.00 N ATOM 557 CA LEU B 17 5.140 -6.712 -5.258 1.00 0.00 C ATOM 558 C LEU B 17 5.164 -6.765 -3.739 1.00 0.00 C ATOM 559 O LEU B 17 6.100 -7.251 -3.134 1.00 0.00 O ATOM 560 CB LEU B 17 6.088 -5.612 -5.715 1.00 0.00 C ATOM 561 CG LEU B 17 6.566 -5.896 -7.141 1.00 0.00 C ATOM 562 CD1 LEU B 17 7.065 -7.339 -7.254 1.00 0.00 C ATOM 563 CD2 LEU B 17 5.409 -5.675 -8.117 1.00 0.00 C ATOM 0 H LEU B 17 3.547 -5.409 -5.828 1.00 0.00 H new ATOM 0 HA LEU B 17 5.448 -7.672 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.584 -4.646 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.942 -5.553 -5.041 1.00 0.00 H new ATOM 0 HG LEU B 17 7.386 -5.220 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.402 -7.529 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.894 -7.493 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.255 -8.025 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.747 -5.877 -9.133 1.00 0.00 H new ATOM 0 HD22 LEU B 17 4.589 -6.348 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.066 -4.643 -8.047 1.00 0.00 H new ATOM 575 N VAL B 18 4.153 -6.244 -3.120 1.00 0.00 N ATOM 576 CA VAL B 18 4.118 -6.227 -1.643 1.00 0.00 C ATOM 577 C VAL B 18 3.613 -7.574 -1.105 1.00 0.00 C ATOM 578 O VAL B 18 4.213 -8.159 -0.225 1.00 0.00 O ATOM 579 CB VAL B 18 3.193 -5.092 -1.215 1.00 0.00 C ATOM 580 CG1 VAL B 18 2.702 -5.334 0.202 1.00 0.00 C ATOM 581 CG2 VAL B 18 3.956 -3.768 -1.249 1.00 0.00 C ATOM 0 H VAL B 18 3.343 -5.826 -3.578 1.00 0.00 H new ATOM 0 HA VAL B 18 5.118 -6.069 -1.239 1.00 0.00 H new ATOM 0 HB VAL B 18 2.345 -5.052 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.042 -4.520 0.502 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.157 -6.277 0.242 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.554 -5.379 0.880 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.294 -2.958 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.805 -3.820 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.314 -3.581 -2.261 1.00 0.00 H new ATOM 591 N CYS B 19 2.516 -8.068 -1.612 1.00 0.00 N ATOM 592 CA CYS B 19 1.989 -9.365 -1.105 1.00 0.00 C ATOM 593 C CYS B 19 2.017 -10.408 -2.222 1.00 0.00 C ATOM 594 O CYS B 19 2.893 -11.246 -2.283 1.00 0.00 O ATOM 595 CB CYS B 19 0.549 -9.174 -0.626 1.00 0.00 C ATOM 596 SG CYS B 19 0.552 -8.717 1.125 1.00 0.00 S ATOM 0 H CYS B 19 1.965 -7.632 -2.351 1.00 0.00 H new ATOM 0 HA CYS B 19 2.610 -9.707 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.058 -8.399 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.019 -10.093 -0.772 1.00 0.00 H new ATOM 601 N GLY B 20 1.063 -10.360 -3.109 1.00 0.00 N ATOM 602 CA GLY B 20 1.036 -11.348 -4.225 1.00 0.00 C ATOM 603 C GLY B 20 -0.049 -12.402 -3.974 1.00 0.00 C ATOM 604 O GLY B 20 -1.212 -12.186 -4.247 1.00 0.00 O ATOM 0 H GLY B 20 0.302 -9.681 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY B 20 0.845 -10.837 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.009 -11.831 -4.316 1.00 0.00 H new ATOM 608 N GLU B 21 0.328 -13.549 -3.475 1.00 0.00 N ATOM 609 CA GLU B 21 -0.675 -14.627 -3.228 1.00 0.00 C ATOM 610 C GLU B 21 -1.610 -14.240 -2.077 1.00 0.00 C ATOM 611 O GLU B 21 -2.690 -14.782 -1.941 1.00 0.00 O ATOM 612 CB GLU B 21 0.052 -15.926 -2.871 1.00 0.00 C ATOM 613 CG GLU B 21 1.036 -15.666 -1.729 1.00 0.00 C ATOM 614 CD GLU B 21 1.424 -16.995 -1.077 1.00 0.00 C ATOM 615 OE1 GLU B 21 0.933 -18.019 -1.527 1.00 0.00 O ATOM 616 OE2 GLU B 21 2.205 -16.969 -0.140 1.00 0.00 O ATOM 0 H GLU B 21 1.288 -13.787 -3.227 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.268 -14.766 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.669 -16.689 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.583 -16.309 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.925 -15.162 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.585 -15.004 -0.990 1.00 0.00 H new ATOM 623 N ARG B 22 -1.212 -13.318 -1.243 1.00 0.00 N ATOM 624 CA ARG B 22 -2.095 -12.921 -0.107 1.00 0.00 C ATOM 625 C ARG B 22 -3.379 -12.303 -0.654 1.00 0.00 C ATOM 626 O ARG B 22 -4.445 -12.456 -0.092 1.00 0.00 O ATOM 627 CB ARG B 22 -1.373 -11.908 0.782 1.00 0.00 C ATOM 628 CG ARG B 22 -0.972 -12.577 2.099 1.00 0.00 C ATOM 629 CD ARG B 22 -1.627 -11.836 3.266 1.00 0.00 C ATOM 630 NE ARG B 22 -3.032 -12.308 3.428 1.00 0.00 N ATOM 631 CZ ARG B 22 -3.490 -12.596 4.616 1.00 0.00 C ATOM 632 NH1 ARG B 22 -3.203 -13.745 5.164 1.00 0.00 N ATOM 633 NH2 ARG B 22 -4.237 -11.738 5.253 1.00 0.00 N ATOM 0 H ARG B 22 -0.321 -12.825 -1.297 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.340 -13.803 0.485 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.489 -11.526 0.272 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.021 -11.054 0.978 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.282 -13.622 2.098 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.112 -12.566 2.210 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.065 -12.011 4.183 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.612 -10.762 3.083 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.635 -12.406 2.611 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.621 -14.417 4.664 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -3.560 -13.971 6.092 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.464 -10.841 4.823 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.595 -11.964 6.181 1.00 0.00 H new ATOM 647 N GLY B 23 -3.284 -11.609 -1.749 1.00 0.00 N ATOM 648 CA GLY B 23 -4.497 -10.978 -2.345 1.00 0.00 C ATOM 649 C GLY B 23 -4.485 -9.473 -2.057 1.00 0.00 C ATOM 650 O GLY B 23 -4.089 -9.051 -0.991 1.00 0.00 O ATOM 0 H GLY B 23 -2.417 -11.449 -2.262 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.519 -11.153 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.397 -11.431 -1.929 1.00 0.00 H new ATOM 654 N PHE B 24 -4.926 -8.654 -2.978 1.00 0.00 N ATOM 655 CA PHE B 24 -4.943 -7.185 -2.699 1.00 0.00 C ATOM 656 C PHE B 24 -6.131 -6.551 -3.427 1.00 0.00 C ATOM 657 O PHE B 24 -6.290 -6.707 -4.621 1.00 0.00 O ATOM 658 CB PHE B 24 -3.645 -6.522 -3.179 1.00 0.00 C ATOM 659 CG PHE B 24 -3.520 -6.627 -4.688 1.00 0.00 C ATOM 660 CD1 PHE B 24 -4.121 -5.657 -5.508 1.00 0.00 C ATOM 661 CD2 PHE B 24 -2.806 -7.685 -5.269 1.00 0.00 C ATOM 662 CE1 PHE B 24 -4.007 -5.749 -6.899 1.00 0.00 C ATOM 663 CE2 PHE B 24 -2.693 -7.773 -6.663 1.00 0.00 C ATOM 664 CZ PHE B 24 -3.294 -6.804 -7.476 1.00 0.00 C ATOM 0 H PHE B 24 -5.270 -8.932 -3.897 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.033 -7.035 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.633 -5.474 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.788 -7.000 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.671 -4.840 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.343 -8.432 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.471 -5.004 -7.528 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.143 -8.588 -7.110 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.207 -6.872 -8.550 1.00 0.00 H new ATOM 674 N PHE B 25 -6.971 -5.843 -2.721 1.00 0.00 N ATOM 675 CA PHE B 25 -8.149 -5.209 -3.383 1.00 0.00 C ATOM 676 C PHE B 25 -7.872 -3.726 -3.645 1.00 0.00 C ATOM 677 O PHE B 25 -7.538 -2.976 -2.749 1.00 0.00 O ATOM 678 CB PHE B 25 -9.378 -5.348 -2.481 1.00 0.00 C ATOM 679 CG PHE B 25 -9.069 -4.790 -1.113 1.00 0.00 C ATOM 680 CD1 PHE B 25 -9.253 -3.425 -0.855 1.00 0.00 C ATOM 681 CD2 PHE B 25 -8.599 -5.636 -0.099 1.00 0.00 C ATOM 682 CE1 PHE B 25 -8.970 -2.907 0.415 1.00 0.00 C ATOM 683 CE2 PHE B 25 -8.316 -5.118 1.172 1.00 0.00 C ATOM 684 CZ PHE B 25 -8.500 -3.753 1.428 1.00 0.00 C ATOM 0 H PHE B 25 -6.894 -5.676 -1.718 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.334 -5.709 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.224 -4.818 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.666 -6.396 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.613 -2.772 -1.636 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.455 -6.688 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.114 -1.855 0.614 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.956 -5.771 1.954 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.279 -3.353 2.407 1.00 0.00 H new ATOM 694 N TYR B 26 -8.018 -3.298 -4.870 1.00 0.00 N ATOM 695 CA TYR B 26 -7.774 -1.865 -5.203 1.00 0.00 C ATOM 696 C TYR B 26 -9.117 -1.173 -5.462 1.00 0.00 C ATOM 697 O TYR B 26 -9.669 -1.255 -6.541 1.00 0.00 O ATOM 698 CB TYR B 26 -6.898 -1.781 -6.459 1.00 0.00 C ATOM 699 CG TYR B 26 -6.954 -0.386 -7.031 1.00 0.00 C ATOM 700 CD1 TYR B 26 -6.889 0.723 -6.179 1.00 0.00 C ATOM 701 CD2 TYR B 26 -7.076 -0.200 -8.415 1.00 0.00 C ATOM 702 CE1 TYR B 26 -6.944 2.018 -6.709 1.00 0.00 C ATOM 703 CE2 TYR B 26 -7.130 1.095 -8.946 1.00 0.00 C ATOM 704 CZ TYR B 26 -7.065 2.203 -8.093 1.00 0.00 C ATOM 705 OH TYR B 26 -7.118 3.479 -8.616 1.00 0.00 O ATOM 0 H TYR B 26 -8.297 -3.882 -5.658 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.266 -1.372 -4.374 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.869 -2.042 -6.213 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.241 -2.502 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.796 0.580 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.128 -1.055 -9.072 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.893 2.874 -6.052 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.222 1.239 -10.012 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.625 3.468 -9.454 1.00 0.00 H new ATOM 715 N THR B 27 -9.650 -0.495 -4.480 1.00 0.00 N ATOM 716 CA THR B 27 -10.956 0.195 -4.674 1.00 0.00 C ATOM 717 C THR B 27 -10.798 1.331 -5.689 1.00 0.00 C ATOM 718 O THR B 27 -9.718 1.845 -5.898 1.00 0.00 O ATOM 719 CB THR B 27 -11.435 0.767 -3.337 1.00 0.00 C ATOM 720 OG1 THR B 27 -12.556 1.613 -3.561 1.00 0.00 O ATOM 721 CG2 THR B 27 -10.310 1.573 -2.686 1.00 0.00 C ATOM 0 H THR B 27 -9.237 -0.390 -3.553 1.00 0.00 H new ATOM 0 HA THR B 27 -11.688 -0.521 -5.048 1.00 0.00 H new ATOM 0 HB THR B 27 -11.720 -0.051 -2.675 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.866 1.979 -2.706 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.656 1.978 -1.735 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.451 0.925 -2.513 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.020 2.392 -3.345 1.00 0.00 H new ATOM 729 N LYS B 28 -11.871 1.725 -6.319 1.00 0.00 N ATOM 730 CA LYS B 28 -11.792 2.826 -7.320 1.00 0.00 C ATOM 731 C LYS B 28 -10.860 2.411 -8.466 1.00 0.00 C ATOM 732 O LYS B 28 -9.683 2.195 -8.250 1.00 0.00 O ATOM 733 CB LYS B 28 -11.237 4.083 -6.649 1.00 0.00 C ATOM 734 CG LYS B 28 -12.382 4.862 -5.995 1.00 0.00 C ATOM 735 CD LYS B 28 -11.853 6.192 -5.457 1.00 0.00 C ATOM 736 CE LYS B 28 -12.691 6.623 -4.252 1.00 0.00 C ATOM 737 NZ LYS B 28 -14.138 6.560 -4.606 1.00 0.00 N ATOM 0 H LYS B 28 -12.802 1.330 -6.183 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.788 3.029 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.494 3.810 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.732 4.708 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.175 5.041 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.817 4.277 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.807 6.090 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.896 6.954 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.485 5.974 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.423 7.636 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.679 7.179 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.269 6.875 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.477 5.582 -4.508 1.00 0.00 H new ATOM 751 N PRO B 29 -11.410 2.309 -9.653 1.00 0.00 N ATOM 752 CA PRO B 29 -10.642 1.921 -10.851 1.00 0.00 C ATOM 753 C PRO B 29 -9.813 3.102 -11.365 1.00 0.00 C ATOM 754 O PRO B 29 -8.619 3.172 -11.157 1.00 0.00 O ATOM 755 CB PRO B 29 -11.723 1.531 -11.861 1.00 0.00 C ATOM 756 CG PRO B 29 -13.020 2.241 -11.407 1.00 0.00 C ATOM 757 CD PRO B 29 -12.841 2.572 -9.915 1.00 0.00 C ATOM 0 HA PRO B 29 -9.933 1.115 -10.661 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.443 1.840 -12.868 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.860 0.450 -11.885 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.189 3.148 -11.988 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.887 1.599 -11.560 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.100 3.609 -9.704 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.481 1.950 -9.290 1.00 0.00 H new ATOM 765 N THR B 30 -10.438 4.030 -12.039 1.00 0.00 N ATOM 766 CA THR B 30 -9.685 5.202 -12.568 1.00 0.00 C ATOM 767 C THR B 30 -10.591 6.435 -12.568 1.00 0.00 C ATOM 768 O THR B 30 -11.733 6.306 -12.979 1.00 0.00 O ATOM 769 CB THR B 30 -9.224 4.907 -13.997 1.00 0.00 C ATOM 770 OG1 THR B 30 -8.782 6.112 -14.607 1.00 0.00 O ATOM 771 CG2 THR B 30 -10.387 4.325 -14.801 1.00 0.00 C ATOM 772 OXT THR B 30 -10.128 7.487 -12.159 1.00 0.00 O ATOM 0 H THR B 30 -11.437 4.026 -12.246 1.00 0.00 H new ATOM 0 HA THR B 30 -8.817 5.391 -11.937 1.00 0.00 H new ATOM 0 HB THR B 30 -8.406 4.188 -13.974 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.485 5.926 -15.522 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.057 4.115 -15.819 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.727 3.402 -14.332 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.207 5.043 -14.826 1.00 0.00 H new TER 780 THR B 30