USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0 X(o=-0.23,f=-0.23) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.16) USER MOD Single : A 9 SER OG : rot 71:sc= 0.907 USER MOD Single : A 12 SER OG : rot 180:sc= -0.909 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.417 K(o=-0.42,f=-4!) USER MOD Single : A 19 TYR OH : rot -150:sc= 1.42 USER MOD Single : A 21 ASN : amide:sc= -0.349 K(o=-0.35,f=-1.8!) USER MOD Single : B 1 PHE N :NH3+ -121:sc= 0.0937 (180deg=-0.329) USER MOD Single : B 3 ASN : amide:sc= -0.723 K(o=-0.72,f=-3.2) USER MOD Single : B 4 GLN : amide:sc= -0.313 K(o=-0.31,f=0.8) USER MOD Single : B 5 HIS : no HD1:sc= -0.925! C(o=-0.93!,f=-4.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0341 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 60:sc= 1.87 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.373 3.319 4.322 1.00 0.00 N ATOM 2 CA GLY A 1 -6.044 2.254 3.453 1.00 0.00 C ATOM 3 C GLY A 1 -5.203 1.387 2.580 1.00 0.00 C ATOM 4 O GLY A 1 -4.324 0.688 3.044 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.097 3.831 4.865 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.707 2.863 4.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.858 3.988 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.610 1.600 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.766 2.761 2.813 1.00 0.00 H new ATOM 10 N LEU A 2 -5.445 1.407 1.297 1.00 0.00 N ATOM 11 CA LEU A 2 -4.636 0.562 0.373 1.00 0.00 C ATOM 12 C LEU A 2 -3.793 1.463 -0.533 1.00 0.00 C ATOM 13 O LEU A 2 -2.585 1.344 -0.591 1.00 0.00 O ATOM 14 CB LEU A 2 -5.568 -0.296 -0.484 1.00 0.00 C ATOM 15 CG LEU A 2 -5.071 -1.741 -0.485 1.00 0.00 C ATOM 16 CD1 LEU A 2 -3.583 -1.769 -0.840 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.272 -2.350 0.904 1.00 0.00 C ATOM 0 H LEU A 2 -6.167 1.971 0.849 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.980 -0.086 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.584 -0.250 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.601 0.090 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.632 -2.317 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.228 -2.800 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.437 -1.334 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.022 -1.193 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.918 -3.381 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.710 -1.773 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.331 -2.330 1.160 1.00 0.00 H new ATOM 29 N LEU A 3 -4.419 2.365 -1.238 1.00 0.00 N ATOM 30 CA LEU A 3 -3.665 3.273 -2.132 1.00 0.00 C ATOM 31 C LEU A 3 -3.397 4.577 -1.393 1.00 0.00 C ATOM 32 O LEU A 3 -2.357 5.186 -1.529 1.00 0.00 O ATOM 33 CB LEU A 3 -4.500 3.569 -3.379 1.00 0.00 C ATOM 34 CG LEU A 3 -5.379 2.368 -3.734 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.524 2.827 -4.641 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.540 1.324 -4.469 1.00 0.00 C ATOM 0 H LEU A 3 -5.429 2.509 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.725 2.806 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.124 4.445 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.843 3.806 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.787 1.933 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.152 1.973 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.122 3.575 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.114 3.260 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.165 0.468 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.134 1.760 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.721 0.998 -3.828 1.00 0.00 H new ATOM 48 N GLU A 4 -4.341 5.003 -0.613 1.00 0.00 N ATOM 49 CA GLU A 4 -4.176 6.273 0.150 1.00 0.00 C ATOM 50 C GLU A 4 -2.752 6.369 0.709 1.00 0.00 C ATOM 51 O GLU A 4 -2.240 7.448 0.935 1.00 0.00 O ATOM 52 CB GLU A 4 -5.177 6.302 1.307 1.00 0.00 C ATOM 53 CG GLU A 4 -5.455 7.753 1.705 1.00 0.00 C ATOM 54 CD GLU A 4 -5.038 7.974 3.160 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.006 7.004 3.899 1.00 0.00 O ATOM 56 OE2 GLU A 4 -4.759 9.108 3.509 1.00 0.00 O ATOM 0 H GLU A 4 -5.230 4.525 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.356 7.116 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.104 5.811 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.780 5.750 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.906 8.432 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.514 7.978 1.581 1.00 0.00 H new ATOM 63 N GLN A 5 -2.109 5.256 0.944 1.00 0.00 N ATOM 64 CA GLN A 5 -0.725 5.302 1.498 1.00 0.00 C ATOM 65 C GLN A 5 0.292 4.994 0.399 1.00 0.00 C ATOM 66 O GLN A 5 1.457 5.325 0.508 1.00 0.00 O ATOM 67 CB GLN A 5 -0.591 4.265 2.612 1.00 0.00 C ATOM 68 CG GLN A 5 0.233 4.852 3.760 1.00 0.00 C ATOM 69 CD GLN A 5 -0.349 4.388 5.096 1.00 0.00 C ATOM 70 OE1 GLN A 5 -0.046 3.306 5.561 1.00 0.00 O ATOM 71 NE2 GLN A 5 -1.176 5.165 5.738 1.00 0.00 N ATOM 0 H GLN A 5 -2.481 4.321 0.777 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.533 6.299 1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.578 3.972 2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.111 3.364 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.272 4.535 3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.226 5.941 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.430 6.073 5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.569 4.865 6.630 1.00 0.00 H new ATOM 80 N CYS A 6 -0.129 4.356 -0.654 1.00 0.00 N ATOM 81 CA CYS A 6 0.824 4.020 -1.752 1.00 0.00 C ATOM 82 C CYS A 6 0.623 4.976 -2.931 1.00 0.00 C ATOM 83 O CYS A 6 1.527 5.217 -3.706 1.00 0.00 O ATOM 84 CB CYS A 6 0.584 2.581 -2.214 1.00 0.00 C ATOM 85 SG CYS A 6 0.205 1.540 -0.782 1.00 0.00 S ATOM 0 H CYS A 6 -1.091 4.051 -0.805 1.00 0.00 H new ATOM 0 HA CYS A 6 1.844 4.120 -1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.240 2.550 -2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.466 2.202 -2.729 1.00 0.00 H new ATOM 90 N CYS A 7 -0.552 5.524 -3.076 1.00 0.00 N ATOM 91 CA CYS A 7 -0.803 6.461 -4.206 1.00 0.00 C ATOM 92 C CYS A 7 -0.585 7.896 -3.729 1.00 0.00 C ATOM 93 O CYS A 7 0.091 8.677 -4.368 1.00 0.00 O ATOM 94 CB CYS A 7 -2.244 6.298 -4.694 1.00 0.00 C ATOM 95 SG CYS A 7 -2.337 6.720 -6.451 1.00 0.00 S ATOM 0 H CYS A 7 -1.349 5.363 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.117 6.240 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.579 5.273 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.909 6.942 -4.119 1.00 0.00 H new ATOM 100 N HIS A 8 -1.148 8.247 -2.607 1.00 0.00 N ATOM 101 CA HIS A 8 -0.968 9.630 -2.088 1.00 0.00 C ATOM 102 C HIS A 8 0.433 9.763 -1.488 1.00 0.00 C ATOM 103 O HIS A 8 0.906 10.849 -1.221 1.00 0.00 O ATOM 104 CB HIS A 8 -2.017 9.914 -1.012 1.00 0.00 C ATOM 105 CG HIS A 8 -1.921 11.352 -0.583 1.00 0.00 C ATOM 106 ND1 HIS A 8 -2.122 12.385 -1.474 1.00 0.00 N ATOM 107 CD2 HIS A 8 -1.645 11.911 0.635 1.00 0.00 C ATOM 108 CE1 HIS A 8 -1.967 13.524 -0.785 1.00 0.00 C ATOM 109 NE2 HIS A 8 -1.675 13.284 0.511 1.00 0.00 N ATOM 0 H HIS A 8 -1.724 7.636 -2.028 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.087 10.345 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.015 9.705 -1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.862 9.257 -0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.438 11.366 1.544 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.064 14.511 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.511 13.974 1.245 1.00 0.00 H new ATOM 117 N SER A 9 1.099 8.661 -1.276 1.00 0.00 N ATOM 118 CA SER A 9 2.470 8.713 -0.697 1.00 0.00 C ATOM 119 C SER A 9 3.249 7.474 -1.141 1.00 0.00 C ATOM 120 O SER A 9 2.772 6.679 -1.926 1.00 0.00 O ATOM 121 CB SER A 9 2.379 8.742 0.829 1.00 0.00 C ATOM 122 OG SER A 9 1.253 7.980 1.246 1.00 0.00 O ATOM 0 H SER A 9 0.751 7.724 -1.480 1.00 0.00 H new ATOM 0 HA SER A 9 2.982 9.611 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.290 8.335 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.288 9.770 1.180 1.00 0.00 H new ATOM 0 HG SER A 9 1.427 7.028 1.093 1.00 0.00 H new ATOM 128 N ILE A 10 4.442 7.300 -0.645 1.00 0.00 N ATOM 129 CA ILE A 10 5.243 6.108 -1.041 1.00 0.00 C ATOM 130 C ILE A 10 4.838 4.913 -0.177 1.00 0.00 C ATOM 131 O ILE A 10 4.586 5.048 1.004 1.00 0.00 O ATOM 132 CB ILE A 10 6.731 6.399 -0.842 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.190 7.432 -1.874 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.531 5.109 -1.021 1.00 0.00 C ATOM 135 CD1 ILE A 10 7.035 8.839 -1.291 1.00 0.00 C ATOM 0 H ILE A 10 4.896 7.930 0.016 1.00 0.00 H new ATOM 0 HA ILE A 10 5.057 5.880 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 10 6.894 6.791 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.230 7.252 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.600 7.338 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.592 5.316 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.204 4.373 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.369 4.717 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.362 9.575 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.989 9.016 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.644 8.929 -0.391 1.00 0.00 H new ATOM 147 N CYS A 11 4.770 3.744 -0.754 1.00 0.00 N ATOM 148 CA CYS A 11 4.377 2.546 0.040 1.00 0.00 C ATOM 149 C CYS A 11 5.571 1.594 0.152 1.00 0.00 C ATOM 150 O CYS A 11 6.273 1.347 -0.807 1.00 0.00 O ATOM 151 CB CYS A 11 3.215 1.830 -0.652 1.00 0.00 C ATOM 152 SG CYS A 11 1.782 1.801 0.453 1.00 0.00 S ATOM 0 H CYS A 11 4.969 3.567 -1.739 1.00 0.00 H new ATOM 0 HA CYS A 11 4.066 2.858 1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.961 2.340 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.505 0.813 -0.916 1.00 0.00 H new ATOM 157 N SER A 12 5.805 1.057 1.320 1.00 0.00 N ATOM 158 CA SER A 12 6.953 0.123 1.496 1.00 0.00 C ATOM 159 C SER A 12 6.482 -1.314 1.262 1.00 0.00 C ATOM 160 O SER A 12 5.436 -1.719 1.728 1.00 0.00 O ATOM 161 CB SER A 12 7.503 0.252 2.916 1.00 0.00 C ATOM 162 OG SER A 12 6.431 0.160 3.845 1.00 0.00 O ATOM 0 H SER A 12 5.250 1.225 2.159 1.00 0.00 H new ATOM 0 HA SER A 12 7.735 0.371 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.234 -0.533 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.020 1.204 3.033 1.00 0.00 H new ATOM 0 HG SER A 12 6.781 0.241 4.757 1.00 0.00 H new ATOM 168 N LEU A 13 7.249 -2.091 0.546 1.00 0.00 N ATOM 169 CA LEU A 13 6.854 -3.494 0.283 1.00 0.00 C ATOM 170 C LEU A 13 6.523 -4.186 1.607 1.00 0.00 C ATOM 171 O LEU A 13 5.631 -5.009 1.682 1.00 0.00 O ATOM 172 CB LEU A 13 8.019 -4.210 -0.393 1.00 0.00 C ATOM 173 CG LEU A 13 9.320 -3.871 0.337 1.00 0.00 C ATOM 174 CD1 LEU A 13 9.866 -5.129 1.014 1.00 0.00 C ATOM 175 CD2 LEU A 13 10.348 -3.346 -0.667 1.00 0.00 C ATOM 0 H LEU A 13 8.137 -1.807 0.132 1.00 0.00 H new ATOM 0 HA LEU A 13 5.977 -3.522 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.853 -5.287 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.087 -3.909 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 13 9.125 -3.107 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.793 -4.889 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.134 -5.504 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.060 -5.892 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.275 -3.105 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.543 -4.109 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.959 -2.450 -1.151 1.00 0.00 H new ATOM 187 N TYR A 14 7.233 -3.860 2.651 1.00 0.00 N ATOM 188 CA TYR A 14 6.958 -4.498 3.968 1.00 0.00 C ATOM 189 C TYR A 14 5.517 -4.213 4.378 1.00 0.00 C ATOM 190 O TYR A 14 4.735 -5.112 4.617 1.00 0.00 O ATOM 191 CB TYR A 14 7.912 -3.930 5.021 1.00 0.00 C ATOM 192 CG TYR A 14 7.854 -4.782 6.265 1.00 0.00 C ATOM 193 CD1 TYR A 14 6.677 -4.833 7.026 1.00 0.00 C ATOM 194 CD2 TYR A 14 8.975 -5.524 6.659 1.00 0.00 C ATOM 195 CE1 TYR A 14 6.623 -5.625 8.180 1.00 0.00 C ATOM 196 CE2 TYR A 14 8.921 -6.317 7.814 1.00 0.00 C ATOM 197 CZ TYR A 14 7.744 -6.366 8.574 1.00 0.00 C ATOM 198 OH TYR A 14 7.691 -7.147 9.711 1.00 0.00 O ATOM 0 H TYR A 14 7.992 -3.179 2.649 1.00 0.00 H new ATOM 0 HA TYR A 14 7.107 -5.575 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.929 -3.907 4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.638 -2.902 5.258 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.812 -4.262 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.881 -5.485 6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.717 -5.664 8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.785 -6.889 8.118 1.00 0.00 H new ATOM 0 HH TYR A 14 8.553 -7.596 9.840 1.00 0.00 H new ATOM 208 N GLN A 15 5.165 -2.967 4.456 1.00 0.00 N ATOM 209 CA GLN A 15 3.774 -2.607 4.849 1.00 0.00 C ATOM 210 C GLN A 15 2.835 -2.858 3.669 1.00 0.00 C ATOM 211 O GLN A 15 1.634 -2.952 3.826 1.00 0.00 O ATOM 212 CB GLN A 15 3.719 -1.129 5.241 1.00 0.00 C ATOM 213 CG GLN A 15 3.501 -1.009 6.750 1.00 0.00 C ATOM 214 CD GLN A 15 2.698 0.257 7.052 1.00 0.00 C ATOM 215 OE1 GLN A 15 2.380 1.017 6.159 1.00 0.00 O ATOM 216 NE2 GLN A 15 2.353 0.518 8.284 1.00 0.00 N ATOM 0 H GLN A 15 5.780 -2.176 4.265 1.00 0.00 H new ATOM 0 HA GLN A 15 3.465 -3.217 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.646 -0.632 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.912 -0.630 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.971 -1.886 7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.461 -0.975 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.620 -0.120 9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.817 1.359 8.496 1.00 0.00 H new ATOM 225 N LEU A 16 3.375 -2.976 2.489 1.00 0.00 N ATOM 226 CA LEU A 16 2.517 -3.228 1.301 1.00 0.00 C ATOM 227 C LEU A 16 2.116 -4.700 1.290 1.00 0.00 C ATOM 228 O LEU A 16 1.089 -5.074 0.758 1.00 0.00 O ATOM 229 CB LEU A 16 3.296 -2.897 0.025 1.00 0.00 C ATOM 230 CG LEU A 16 2.387 -3.074 -1.192 1.00 0.00 C ATOM 231 CD1 LEU A 16 2.801 -2.092 -2.289 1.00 0.00 C ATOM 232 CD2 LEU A 16 2.514 -4.505 -1.721 1.00 0.00 C ATOM 0 H LEU A 16 4.374 -2.909 2.297 1.00 0.00 H new ATOM 0 HA LEU A 16 1.626 -2.601 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.667 -1.873 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.166 -3.548 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 16 1.354 -2.881 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.152 -2.220 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.712 -1.072 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.834 -2.284 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.866 -4.631 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.548 -4.696 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.219 -5.208 -0.942 1.00 0.00 H new ATOM 244 N GLU A 17 2.921 -5.540 1.880 1.00 0.00 N ATOM 245 CA GLU A 17 2.588 -6.988 1.909 1.00 0.00 C ATOM 246 C GLU A 17 1.420 -7.226 2.869 1.00 0.00 C ATOM 247 O GLU A 17 0.938 -8.333 3.012 1.00 0.00 O ATOM 248 CB GLU A 17 3.807 -7.784 2.382 1.00 0.00 C ATOM 249 CG GLU A 17 3.529 -9.281 2.233 1.00 0.00 C ATOM 250 CD GLU A 17 3.695 -9.969 3.589 1.00 0.00 C ATOM 251 OE1 GLU A 17 4.818 -10.306 3.927 1.00 0.00 O ATOM 252 OE2 GLU A 17 2.697 -10.148 4.266 1.00 0.00 O ATOM 0 H GLU A 17 3.794 -5.285 2.342 1.00 0.00 H new ATOM 0 HA GLU A 17 2.307 -7.314 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.685 -7.507 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.028 -7.546 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.519 -9.438 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.213 -9.718 1.506 1.00 0.00 H new ATOM 259 N ASN A 18 0.960 -6.198 3.531 1.00 0.00 N ATOM 260 CA ASN A 18 -0.175 -6.374 4.481 1.00 0.00 C ATOM 261 C ASN A 18 -1.461 -6.639 3.698 1.00 0.00 C ATOM 262 O ASN A 18 -2.415 -7.186 4.217 1.00 0.00 O ATOM 263 CB ASN A 18 -0.336 -5.107 5.322 1.00 0.00 C ATOM 264 CG ASN A 18 -0.528 -5.490 6.789 1.00 0.00 C ATOM 265 OD1 ASN A 18 -0.500 -6.655 7.133 1.00 0.00 O ATOM 266 ND2 ASN A 18 -0.724 -4.553 7.675 1.00 0.00 N ATOM 0 H ASN A 18 1.320 -5.247 3.455 1.00 0.00 H new ATOM 0 HA ASN A 18 0.028 -7.220 5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.543 -4.471 5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.192 -4.531 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.854 -4.798 8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.747 -3.575 7.386 1.00 0.00 H new ATOM 273 N TYR A 19 -1.498 -6.254 2.454 1.00 0.00 N ATOM 274 CA TYR A 19 -2.713 -6.478 1.636 1.00 0.00 C ATOM 275 C TYR A 19 -2.859 -7.972 1.333 1.00 0.00 C ATOM 276 O TYR A 19 -3.952 -8.499 1.279 1.00 0.00 O ATOM 277 CB TYR A 19 -2.578 -5.694 0.332 1.00 0.00 C ATOM 278 CG TYR A 19 -2.016 -4.320 0.622 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.214 -3.732 1.878 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.294 -3.637 -0.365 1.00 0.00 C ATOM 281 CE1 TYR A 19 -1.691 -2.459 2.147 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.771 -2.364 -0.097 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.969 -1.776 1.159 1.00 0.00 C ATOM 284 OH TYR A 19 -0.454 -0.523 1.425 1.00 0.00 O ATOM 0 H TYR A 19 -0.730 -5.790 1.968 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.596 -6.140 2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.924 -6.227 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.550 -5.605 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.770 -4.259 2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.140 -4.091 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.845 -2.005 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.216 -1.837 -0.859 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.419 -0.001 0.596 1.00 0.00 H new ATOM 294 N CYS A 20 -1.767 -8.657 1.138 1.00 0.00 N ATOM 295 CA CYS A 20 -1.843 -10.117 0.843 1.00 0.00 C ATOM 296 C CYS A 20 -2.532 -10.834 2.006 1.00 0.00 C ATOM 297 O CYS A 20 -2.598 -10.326 3.107 1.00 0.00 O ATOM 298 CB CYS A 20 -0.428 -10.672 0.664 1.00 0.00 C ATOM 299 SG CYS A 20 -0.493 -12.477 0.538 1.00 0.00 S ATOM 0 H CYS A 20 -0.824 -8.270 1.170 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.414 -10.278 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.028 -10.251 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.198 -10.379 1.507 1.00 0.00 H new ATOM 304 N ASN A 21 -3.045 -12.011 1.772 1.00 0.00 N ATOM 305 CA ASN A 21 -3.728 -12.755 2.865 1.00 0.00 C ATOM 306 C ASN A 21 -2.687 -13.269 3.863 1.00 0.00 C ATOM 307 O ASN A 21 -2.212 -14.377 3.676 1.00 0.00 O ATOM 308 CB ASN A 21 -4.492 -13.939 2.270 1.00 0.00 C ATOM 309 CG ASN A 21 -5.972 -13.579 2.138 1.00 0.00 C ATOM 310 OD1 ASN A 21 -6.504 -12.841 2.944 1.00 0.00 O ATOM 311 ND2 ASN A 21 -6.664 -14.072 1.147 1.00 0.00 N ATOM 312 OXT ASN A 21 -2.383 -12.545 4.796 1.00 0.00 O ATOM 0 H ASN A 21 -3.020 -12.488 0.871 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.424 -12.091 3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.081 -14.196 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.376 -14.817 2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.652 -13.838 1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.217 -14.691 0.471 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 14.134 -2.874 -3.734 1.00 0.00 N ATOM 321 CA PHE B 1 13.057 -2.087 -4.397 1.00 0.00 C ATOM 322 C PHE B 1 13.356 -0.593 -4.253 1.00 0.00 C ATOM 323 O PHE B 1 14.439 -0.202 -3.870 1.00 0.00 O ATOM 324 CB PHE B 1 11.713 -2.407 -3.739 1.00 0.00 C ATOM 325 CG PHE B 1 11.041 -3.532 -4.489 1.00 0.00 C ATOM 326 CD1 PHE B 1 11.628 -4.804 -4.519 1.00 0.00 C ATOM 327 CD2 PHE B 1 9.830 -3.304 -5.156 1.00 0.00 C ATOM 328 CE1 PHE B 1 11.004 -5.848 -5.214 1.00 0.00 C ATOM 329 CE2 PHE B 1 9.207 -4.348 -5.852 1.00 0.00 C ATOM 330 CZ PHE B 1 9.794 -5.619 -5.882 1.00 0.00 C ATOM 0 H1 PHE B 1 14.583 -3.503 -4.430 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.847 -2.226 -3.342 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.725 -3.444 -2.966 1.00 0.00 H new ATOM 0 HA PHE B 1 13.013 -2.348 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.864 -2.689 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.076 -1.523 -3.740 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.562 -4.980 -4.006 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.377 -2.324 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.455 -6.829 -5.235 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.273 -4.172 -6.366 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.314 -6.423 -6.420 1.00 0.00 H new ATOM 342 N VAL B 2 12.404 0.244 -4.560 1.00 0.00 N ATOM 343 CA VAL B 2 12.638 1.711 -4.442 1.00 0.00 C ATOM 344 C VAL B 2 11.412 2.378 -3.814 1.00 0.00 C ATOM 345 O VAL B 2 10.362 1.780 -3.692 1.00 0.00 O ATOM 346 CB VAL B 2 12.878 2.301 -5.833 1.00 0.00 C ATOM 347 CG1 VAL B 2 14.310 1.998 -6.277 1.00 0.00 C ATOM 348 CG2 VAL B 2 11.895 1.676 -6.826 1.00 0.00 C ATOM 0 H VAL B 2 11.476 -0.024 -4.887 1.00 0.00 H new ATOM 0 HA VAL B 2 13.510 1.888 -3.813 1.00 0.00 H new ATOM 0 HB VAL B 2 12.729 3.380 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.480 2.419 -7.268 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.012 2.440 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.460 0.919 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.064 2.095 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.046 0.597 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.874 1.890 -6.511 1.00 0.00 H new ATOM 358 N ASN B 3 11.539 3.614 -3.417 1.00 0.00 N ATOM 359 CA ASN B 3 10.383 4.322 -2.800 1.00 0.00 C ATOM 360 C ASN B 3 9.608 5.070 -3.886 1.00 0.00 C ATOM 361 O ASN B 3 10.121 5.973 -4.518 1.00 0.00 O ATOM 362 CB ASN B 3 10.895 5.322 -1.758 1.00 0.00 C ATOM 363 CG ASN B 3 11.087 4.608 -0.418 1.00 0.00 C ATOM 364 OD1 ASN B 3 10.214 3.895 0.036 1.00 0.00 O ATOM 365 ND2 ASN B 3 12.203 4.772 0.238 1.00 0.00 N ATOM 0 H ASN B 3 12.394 4.165 -3.493 1.00 0.00 H new ATOM 0 HA ASN B 3 9.727 3.598 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.838 5.758 -2.089 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.186 6.143 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.343 4.302 1.132 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.936 5.371 -0.143 1.00 0.00 H new ATOM 372 N GLN B 4 8.376 4.702 -4.113 1.00 0.00 N ATOM 373 CA GLN B 4 7.576 5.393 -5.163 1.00 0.00 C ATOM 374 C GLN B 4 6.083 5.191 -4.891 1.00 0.00 C ATOM 375 O GLN B 4 5.691 4.322 -4.137 1.00 0.00 O ATOM 376 CB GLN B 4 7.927 4.813 -6.535 1.00 0.00 C ATOM 377 CG GLN B 4 7.967 5.939 -7.570 1.00 0.00 C ATOM 378 CD GLN B 4 9.418 6.216 -7.968 1.00 0.00 C ATOM 379 OE1 GLN B 4 10.293 6.257 -7.126 1.00 0.00 O ATOM 380 NE2 GLN B 4 9.712 6.408 -9.224 1.00 0.00 N ATOM 0 H GLN B 4 7.890 3.954 -3.618 1.00 0.00 H new ATOM 0 HA GLN B 4 7.804 6.459 -5.148 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.893 4.309 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.190 4.064 -6.825 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.385 5.661 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.513 6.841 -7.159 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.977 6.374 -9.931 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.677 6.593 -9.500 1.00 0.00 H new ATOM 389 N HIS B 5 5.251 5.991 -5.497 1.00 0.00 N ATOM 390 CA HIS B 5 3.791 5.858 -5.282 1.00 0.00 C ATOM 391 C HIS B 5 3.255 4.673 -6.088 1.00 0.00 C ATOM 392 O HIS B 5 3.561 4.511 -7.252 1.00 0.00 O ATOM 393 CB HIS B 5 3.114 7.143 -5.749 1.00 0.00 C ATOM 394 CG HIS B 5 3.787 8.327 -5.112 1.00 0.00 C ATOM 395 ND1 HIS B 5 5.119 8.605 -5.336 1.00 0.00 N ATOM 396 CD2 HIS B 5 3.305 9.289 -4.266 1.00 0.00 C ATOM 397 CE1 HIS B 5 5.404 9.711 -4.634 1.00 0.00 C ATOM 398 NE2 HIS B 5 4.325 10.165 -3.963 1.00 0.00 N ATOM 0 H HIS B 5 5.526 6.736 -6.137 1.00 0.00 H new ATOM 0 HA HIS B 5 3.584 5.688 -4.225 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.169 7.221 -6.835 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.057 7.126 -5.484 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.292 9.351 -3.897 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.376 10.180 -4.609 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.275 10.985 -3.358 1.00 0.00 H new ATOM 406 N LEU B 6 2.453 3.845 -5.477 1.00 0.00 N ATOM 407 CA LEU B 6 1.893 2.673 -6.200 1.00 0.00 C ATOM 408 C LEU B 6 0.400 2.900 -6.448 1.00 0.00 C ATOM 409 O LEU B 6 -0.344 3.225 -5.544 1.00 0.00 O ATOM 410 CB LEU B 6 2.087 1.421 -5.344 1.00 0.00 C ATOM 411 CG LEU B 6 3.302 0.631 -5.840 1.00 0.00 C ATOM 412 CD1 LEU B 6 4.465 1.587 -6.111 1.00 0.00 C ATOM 413 CD2 LEU B 6 3.719 -0.380 -4.769 1.00 0.00 C ATOM 0 H LEU B 6 2.161 3.932 -4.503 1.00 0.00 H new ATOM 0 HA LEU B 6 2.403 2.546 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.227 1.702 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.194 0.797 -5.389 1.00 0.00 H new ATOM 0 HG LEU B 6 3.041 0.109 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.327 1.021 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.171 2.311 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.727 2.111 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.584 -0.944 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.977 0.148 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.894 -1.065 -4.574 1.00 0.00 H new ATOM 425 N CYS B 7 -0.046 2.734 -7.664 1.00 0.00 N ATOM 426 CA CYS B 7 -1.492 2.946 -7.959 1.00 0.00 C ATOM 427 C CYS B 7 -1.907 2.065 -9.140 1.00 0.00 C ATOM 428 O CYS B 7 -1.133 1.813 -10.042 1.00 0.00 O ATOM 429 CB CYS B 7 -1.731 4.415 -8.313 1.00 0.00 C ATOM 430 SG CYS B 7 -3.097 5.061 -7.318 1.00 0.00 S ATOM 0 H CYS B 7 0.526 2.462 -8.463 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.083 2.682 -7.082 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.827 4.996 -8.130 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.962 4.511 -9.374 1.00 0.00 H new ATOM 435 N GLY B 8 -3.125 1.595 -9.141 1.00 0.00 N ATOM 436 CA GLY B 8 -3.588 0.732 -10.264 1.00 0.00 C ATOM 437 C GLY B 8 -3.000 -0.671 -10.107 1.00 0.00 C ATOM 438 O GLY B 8 -2.892 -1.191 -9.014 1.00 0.00 O ATOM 0 H GLY B 8 -3.818 1.771 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.677 0.682 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.281 1.162 -11.217 1.00 0.00 H new ATOM 442 N SER B 9 -2.617 -1.287 -11.191 1.00 0.00 N ATOM 443 CA SER B 9 -2.035 -2.656 -11.107 1.00 0.00 C ATOM 444 C SER B 9 -0.678 -2.593 -10.404 1.00 0.00 C ATOM 445 O SER B 9 -0.081 -3.605 -10.097 1.00 0.00 O ATOM 446 CB SER B 9 -1.853 -3.218 -12.518 1.00 0.00 C ATOM 447 OG SER B 9 -2.814 -2.630 -13.384 1.00 0.00 O ATOM 0 H SER B 9 -2.682 -0.901 -12.133 1.00 0.00 H new ATOM 0 HA SER B 9 -2.706 -3.302 -10.541 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.846 -3.009 -12.878 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.970 -4.302 -12.508 1.00 0.00 H new ATOM 0 HG SER B 9 -2.700 -2.986 -14.290 1.00 0.00 H new ATOM 453 N ASP B 10 -0.186 -1.413 -10.144 1.00 0.00 N ATOM 454 CA ASP B 10 1.127 -1.291 -9.459 1.00 0.00 C ATOM 455 C ASP B 10 1.043 -1.962 -8.089 1.00 0.00 C ATOM 456 O ASP B 10 2.026 -2.436 -7.554 1.00 0.00 O ATOM 457 CB ASP B 10 1.470 0.189 -9.287 1.00 0.00 C ATOM 458 CG ASP B 10 2.447 0.617 -10.382 1.00 0.00 C ATOM 459 OD1 ASP B 10 2.978 -0.256 -11.048 1.00 0.00 O ATOM 460 OD2 ASP B 10 2.647 1.810 -10.539 1.00 0.00 O ATOM 0 H ASP B 10 -0.638 -0.529 -10.377 1.00 0.00 H new ATOM 0 HA ASP B 10 1.902 -1.775 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.563 0.792 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.911 0.359 -8.305 1.00 0.00 H new ATOM 465 N LEU B 11 -0.129 -2.010 -7.518 1.00 0.00 N ATOM 466 CA LEU B 11 -0.286 -2.653 -6.185 1.00 0.00 C ATOM 467 C LEU B 11 -0.149 -4.168 -6.333 1.00 0.00 C ATOM 468 O LEU B 11 0.737 -4.779 -5.771 1.00 0.00 O ATOM 469 CB LEU B 11 -1.673 -2.332 -5.630 1.00 0.00 C ATOM 470 CG LEU B 11 -1.587 -1.195 -4.609 1.00 0.00 C ATOM 471 CD1 LEU B 11 -2.944 -1.033 -3.927 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.534 -1.524 -3.551 1.00 0.00 C ATOM 0 H LEU B 11 -0.986 -1.630 -7.919 1.00 0.00 H new ATOM 0 HA LEU B 11 0.481 -2.277 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.341 -2.049 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.099 -3.219 -5.161 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.310 -0.273 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.891 -0.224 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.701 -0.798 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.210 -1.961 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.478 -0.710 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.808 -2.446 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.437 -1.650 -4.031 1.00 0.00 H new ATOM 484 N VAL B 12 -1.026 -4.782 -7.083 1.00 0.00 N ATOM 485 CA VAL B 12 -0.944 -6.257 -7.256 1.00 0.00 C ATOM 486 C VAL B 12 0.449 -6.634 -7.747 1.00 0.00 C ATOM 487 O VAL B 12 0.859 -7.766 -7.631 1.00 0.00 O ATOM 488 CB VAL B 12 -1.995 -6.729 -8.264 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.295 -5.974 -8.019 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.512 -6.462 -9.693 1.00 0.00 C ATOM 0 H VAL B 12 -1.791 -4.326 -7.580 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.135 -6.740 -6.298 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.157 -7.800 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.048 -6.305 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.645 -6.171 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.123 -4.905 -8.142 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.267 -6.802 -10.402 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.344 -5.393 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.581 -7.001 -9.869 1.00 0.00 H new ATOM 500 N GLU B 13 1.188 -5.695 -8.276 1.00 0.00 N ATOM 501 CA GLU B 13 2.560 -6.018 -8.748 1.00 0.00 C ATOM 502 C GLU B 13 3.431 -6.205 -7.516 1.00 0.00 C ATOM 503 O GLU B 13 4.114 -7.199 -7.359 1.00 0.00 O ATOM 504 CB GLU B 13 3.103 -4.866 -9.597 1.00 0.00 C ATOM 505 CG GLU B 13 4.425 -5.286 -10.240 1.00 0.00 C ATOM 506 CD GLU B 13 4.764 -4.330 -11.384 1.00 0.00 C ATOM 507 OE1 GLU B 13 4.163 -4.461 -12.438 1.00 0.00 O ATOM 508 OE2 GLU B 13 5.619 -3.482 -11.189 1.00 0.00 O ATOM 0 H GLU B 13 0.900 -4.724 -8.400 1.00 0.00 H new ATOM 0 HA GLU B 13 2.555 -6.921 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.381 -4.596 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.252 -3.982 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.222 -5.277 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.351 -6.307 -10.615 1.00 0.00 H new ATOM 515 N ALA B 14 3.378 -5.260 -6.621 1.00 0.00 N ATOM 516 CA ALA B 14 4.164 -5.377 -5.373 1.00 0.00 C ATOM 517 C ALA B 14 3.708 -6.644 -4.655 1.00 0.00 C ATOM 518 O ALA B 14 4.496 -7.378 -4.089 1.00 0.00 O ATOM 519 CB ALA B 14 3.889 -4.156 -4.497 1.00 0.00 C ATOM 0 H ALA B 14 2.821 -4.410 -6.705 1.00 0.00 H new ATOM 0 HA ALA B 14 5.232 -5.428 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.464 -4.233 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.180 -3.252 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.826 -4.111 -4.259 1.00 0.00 H new ATOM 525 N LEU B 15 2.431 -6.912 -4.696 1.00 0.00 N ATOM 526 CA LEU B 15 1.905 -8.136 -4.041 1.00 0.00 C ATOM 527 C LEU B 15 2.267 -9.345 -4.902 1.00 0.00 C ATOM 528 O LEU B 15 2.674 -10.381 -4.414 1.00 0.00 O ATOM 529 CB LEU B 15 0.384 -8.033 -3.907 1.00 0.00 C ATOM 530 CG LEU B 15 0.017 -6.686 -3.282 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.386 -6.277 -3.735 1.00 0.00 C ATOM 532 CD2 LEU B 15 0.042 -6.811 -1.757 1.00 0.00 C ATOM 0 H LEU B 15 1.730 -6.332 -5.157 1.00 0.00 H new ATOM 0 HA LEU B 15 2.341 -8.245 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.085 -8.132 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.007 -8.848 -3.289 1.00 0.00 H new ATOM 0 HG LEU B 15 0.735 -5.930 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.647 -5.317 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.407 -6.190 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.105 -7.032 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.219 -5.852 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.678 -7.567 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.041 -7.103 -1.432 1.00 0.00 H new ATOM 544 N TYR B 16 2.121 -9.203 -6.184 1.00 0.00 N ATOM 545 CA TYR B 16 2.451 -10.318 -7.122 1.00 0.00 C ATOM 546 C TYR B 16 3.705 -11.060 -6.666 1.00 0.00 C ATOM 547 O TYR B 16 3.751 -12.273 -6.643 1.00 0.00 O ATOM 548 CB TYR B 16 2.745 -9.743 -8.509 1.00 0.00 C ATOM 549 CG TYR B 16 2.138 -10.628 -9.565 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.464 -11.990 -9.612 1.00 0.00 C ATOM 551 CD2 TYR B 16 1.248 -10.086 -10.499 1.00 0.00 C ATOM 552 CE1 TYR B 16 1.897 -12.810 -10.595 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.681 -10.905 -11.482 1.00 0.00 C ATOM 554 CZ TYR B 16 1.004 -12.269 -11.531 1.00 0.00 C ATOM 555 OH TYR B 16 0.444 -13.077 -12.500 1.00 0.00 O ATOM 0 H TYR B 16 1.783 -8.352 -6.634 1.00 0.00 H new ATOM 0 HA TYR B 16 1.601 -11.000 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.339 -8.735 -8.589 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.822 -9.666 -8.660 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.152 -12.407 -8.891 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.999 -9.036 -10.461 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.148 -13.860 -10.632 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.006 -10.487 -12.203 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.152 -12.544 -13.066 1.00 0.00 H new ATOM 565 N LEU B 17 4.743 -10.334 -6.367 1.00 0.00 N ATOM 566 CA LEU B 17 6.024 -10.988 -5.983 1.00 0.00 C ATOM 567 C LEU B 17 6.065 -11.348 -4.491 1.00 0.00 C ATOM 568 O LEU B 17 6.443 -12.444 -4.133 1.00 0.00 O ATOM 569 CB LEU B 17 7.166 -10.030 -6.324 1.00 0.00 C ATOM 570 CG LEU B 17 8.481 -10.797 -6.500 1.00 0.00 C ATOM 571 CD1 LEU B 17 8.258 -12.035 -7.372 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.498 -9.884 -7.185 1.00 0.00 C ATOM 0 H LEU B 17 4.761 -9.314 -6.372 1.00 0.00 H new ATOM 0 HA LEU B 17 6.122 -11.923 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.931 -9.487 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.274 -9.289 -5.532 1.00 0.00 H new ATOM 0 HG LEU B 17 8.848 -11.110 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.199 -12.572 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.525 -12.688 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.890 -11.729 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.438 -10.420 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.116 -9.580 -8.159 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.666 -9.000 -6.569 1.00 0.00 H new ATOM 584 N VAL B 18 5.706 -10.451 -3.611 1.00 0.00 N ATOM 585 CA VAL B 18 5.766 -10.790 -2.166 1.00 0.00 C ATOM 586 C VAL B 18 4.955 -12.053 -1.892 1.00 0.00 C ATOM 587 O VAL B 18 5.409 -12.971 -1.238 1.00 0.00 O ATOM 588 CB VAL B 18 5.203 -9.632 -1.353 1.00 0.00 C ATOM 589 CG1 VAL B 18 5.979 -8.356 -1.673 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.732 -9.428 -1.692 1.00 0.00 C ATOM 0 H VAL B 18 5.378 -9.510 -3.830 1.00 0.00 H new ATOM 0 HA VAL B 18 6.803 -10.967 -1.880 1.00 0.00 H new ATOM 0 HB VAL B 18 5.300 -9.862 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.575 -7.528 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.030 -8.497 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.887 -8.131 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.335 -8.598 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.631 -9.204 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.175 -10.336 -1.458 1.00 0.00 H new ATOM 600 N CYS B 19 3.761 -12.101 -2.388 1.00 0.00 N ATOM 601 CA CYS B 19 2.900 -13.292 -2.170 1.00 0.00 C ATOM 602 C CYS B 19 2.763 -14.058 -3.488 1.00 0.00 C ATOM 603 O CYS B 19 3.134 -15.210 -3.591 1.00 0.00 O ATOM 604 CB CYS B 19 1.520 -12.833 -1.696 1.00 0.00 C ATOM 605 SG CYS B 19 1.406 -13.015 0.102 1.00 0.00 S ATOM 0 H CYS B 19 3.335 -11.359 -2.943 1.00 0.00 H new ATOM 0 HA CYS B 19 3.345 -13.941 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.354 -11.793 -1.978 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.742 -13.423 -2.182 1.00 0.00 H new ATOM 610 N GLY B 20 2.242 -13.420 -4.499 1.00 0.00 N ATOM 611 CA GLY B 20 2.088 -14.101 -5.815 1.00 0.00 C ATOM 612 C GLY B 20 1.314 -15.409 -5.640 1.00 0.00 C ATOM 613 O GLY B 20 0.098 -15.425 -5.617 1.00 0.00 O ATOM 0 H GLY B 20 1.915 -12.454 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.562 -13.448 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.069 -14.304 -6.246 1.00 0.00 H new ATOM 617 N GLU B 21 2.007 -16.510 -5.524 1.00 0.00 N ATOM 618 CA GLU B 21 1.318 -17.815 -5.359 1.00 0.00 C ATOM 619 C GLU B 21 0.414 -17.774 -4.128 1.00 0.00 C ATOM 620 O GLU B 21 -0.461 -18.601 -3.960 1.00 0.00 O ATOM 621 CB GLU B 21 2.368 -18.912 -5.189 1.00 0.00 C ATOM 622 CG GLU B 21 3.521 -18.392 -4.330 1.00 0.00 C ATOM 623 CD GLU B 21 4.726 -18.087 -5.223 1.00 0.00 C ATOM 624 OE1 GLU B 21 4.578 -17.285 -6.130 1.00 0.00 O ATOM 625 OE2 GLU B 21 5.775 -18.662 -4.985 1.00 0.00 O ATOM 0 H GLU B 21 3.026 -16.558 -5.537 1.00 0.00 H new ATOM 0 HA GLU B 21 0.707 -18.020 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.920 -19.789 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.741 -19.226 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.214 -17.493 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.791 -19.133 -3.578 1.00 0.00 H new ATOM 632 N ARG B 22 0.613 -16.819 -3.264 1.00 0.00 N ATOM 633 CA ARG B 22 -0.239 -16.729 -2.045 1.00 0.00 C ATOM 634 C ARG B 22 -1.510 -15.943 -2.374 1.00 0.00 C ATOM 635 O ARG B 22 -2.242 -15.532 -1.495 1.00 0.00 O ATOM 636 CB ARG B 22 0.531 -16.015 -0.932 1.00 0.00 C ATOM 637 CG ARG B 22 0.790 -16.990 0.218 1.00 0.00 C ATOM 638 CD ARG B 22 -0.523 -17.662 0.624 1.00 0.00 C ATOM 639 NE ARG B 22 -0.524 -17.901 2.095 1.00 0.00 N ATOM 640 CZ ARG B 22 -0.007 -18.998 2.578 1.00 0.00 C ATOM 641 NH1 ARG B 22 1.286 -19.104 2.718 1.00 0.00 N ATOM 642 NH2 ARG B 22 -0.784 -19.989 2.921 1.00 0.00 N ATOM 0 H ARG B 22 1.328 -16.097 -3.349 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.505 -17.732 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.476 -15.632 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.039 -15.157 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.517 -17.743 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.218 -16.460 1.069 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.368 -17.031 0.347 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.641 -18.606 0.091 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.929 -17.208 2.724 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.893 -18.329 2.450 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.690 -19.961 3.095 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.795 -19.906 2.812 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.381 -20.846 3.298 1.00 0.00 H new ATOM 656 N GLY B 23 -1.777 -15.730 -3.634 1.00 0.00 N ATOM 657 CA GLY B 23 -3.000 -14.969 -4.018 1.00 0.00 C ATOM 658 C GLY B 23 -3.133 -13.738 -3.121 1.00 0.00 C ATOM 659 O GLY B 23 -3.770 -13.778 -2.088 1.00 0.00 O ATOM 0 H GLY B 23 -1.202 -16.050 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.940 -14.666 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.882 -15.602 -3.919 1.00 0.00 H new ATOM 663 N PHE B 24 -2.533 -12.646 -3.504 1.00 0.00 N ATOM 664 CA PHE B 24 -2.620 -11.417 -2.677 1.00 0.00 C ATOM 665 C PHE B 24 -4.076 -10.958 -2.588 1.00 0.00 C ATOM 666 O PHE B 24 -4.971 -11.599 -3.102 1.00 0.00 O ATOM 667 CB PHE B 24 -1.773 -10.327 -3.327 1.00 0.00 C ATOM 668 CG PHE B 24 -1.970 -10.348 -4.825 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.248 -10.153 -5.367 1.00 0.00 C ATOM 670 CD2 PHE B 24 -0.875 -10.562 -5.674 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.431 -10.173 -6.757 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.058 -10.581 -7.063 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.335 -10.386 -7.605 1.00 0.00 C ATOM 0 H PHE B 24 -1.984 -12.554 -4.359 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.252 -11.620 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.052 -9.352 -2.928 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.721 -10.481 -3.088 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.092 -9.987 -4.714 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.110 -10.712 -5.257 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.416 -10.024 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.214 -10.746 -7.716 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.475 -10.400 -8.676 1.00 0.00 H new ATOM 683 N PHE B 25 -4.321 -9.854 -1.937 1.00 0.00 N ATOM 684 CA PHE B 25 -5.719 -9.356 -1.813 1.00 0.00 C ATOM 685 C PHE B 25 -5.864 -8.037 -2.568 1.00 0.00 C ATOM 686 O PHE B 25 -6.498 -7.964 -3.602 1.00 0.00 O ATOM 687 CB PHE B 25 -6.055 -9.138 -0.335 1.00 0.00 C ATOM 688 CG PHE B 25 -7.552 -9.036 -0.170 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.335 -10.197 -0.149 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.157 -7.779 -0.034 1.00 0.00 C ATOM 691 CE1 PHE B 25 -9.724 -10.102 0.005 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.547 -7.685 0.120 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.330 -8.846 0.140 1.00 0.00 C ATOM 0 H PHE B 25 -3.613 -9.275 -1.486 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.403 -10.092 -2.237 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.668 -9.963 0.263 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.575 -8.229 0.028 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.868 -11.165 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.553 -6.884 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.328 -10.997 0.020 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.014 -6.717 0.223 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.401 -8.773 0.259 1.00 0.00 H new ATOM 703 N TYR B 26 -5.283 -6.997 -2.054 1.00 0.00 N ATOM 704 CA TYR B 26 -5.380 -5.673 -2.726 1.00 0.00 C ATOM 705 C TYR B 26 -6.846 -5.346 -2.967 1.00 0.00 C ATOM 706 O TYR B 26 -7.741 -6.098 -2.634 1.00 0.00 O ATOM 707 CB TYR B 26 -4.586 -5.715 -4.045 1.00 0.00 C ATOM 708 CG TYR B 26 -5.084 -4.750 -5.096 1.00 0.00 C ATOM 709 CD1 TYR B 26 -6.066 -5.155 -6.006 1.00 0.00 C ATOM 710 CD2 TYR B 26 -4.547 -3.457 -5.176 1.00 0.00 C ATOM 711 CE1 TYR B 26 -6.520 -4.269 -6.992 1.00 0.00 C ATOM 712 CE2 TYR B 26 -4.998 -2.570 -6.162 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.986 -2.976 -7.069 1.00 0.00 C ATOM 714 OH TYR B 26 -6.431 -2.103 -8.042 1.00 0.00 O ATOM 0 H TYR B 26 -4.740 -7.004 -1.191 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.953 -4.891 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.539 -5.497 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.625 -6.727 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.475 -6.153 -5.949 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.785 -3.145 -4.477 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.281 -4.582 -7.692 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.585 -1.574 -6.223 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.959 -1.248 -7.955 1.00 0.00 H new ATOM 724 N THR B 27 -7.075 -4.215 -3.517 1.00 0.00 N ATOM 725 CA THR B 27 -8.465 -3.749 -3.784 1.00 0.00 C ATOM 726 C THR B 27 -9.012 -4.415 -5.055 1.00 0.00 C ATOM 727 O THR B 27 -8.521 -5.435 -5.492 1.00 0.00 O ATOM 728 CB THR B 27 -8.437 -2.229 -3.955 1.00 0.00 C ATOM 729 OG1 THR B 27 -7.130 -1.825 -4.342 1.00 0.00 O ATOM 730 CG2 THR B 27 -8.803 -1.562 -2.630 1.00 0.00 C ATOM 0 H THR B 27 -6.347 -3.563 -3.807 1.00 0.00 H new ATOM 0 HA THR B 27 -9.116 -4.019 -2.952 1.00 0.00 H new ATOM 0 HB THR B 27 -9.154 -1.933 -4.721 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.890 -2.261 -5.186 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.783 -0.479 -2.750 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.802 -1.876 -2.329 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.085 -1.855 -1.864 1.00 0.00 H new ATOM 738 N LYS B 28 -10.035 -3.856 -5.646 1.00 0.00 N ATOM 739 CA LYS B 28 -10.604 -4.465 -6.880 1.00 0.00 C ATOM 740 C LYS B 28 -10.902 -3.366 -7.907 1.00 0.00 C ATOM 741 O LYS B 28 -10.605 -2.208 -7.689 1.00 0.00 O ATOM 742 CB LYS B 28 -11.889 -5.222 -6.539 1.00 0.00 C ATOM 743 CG LYS B 28 -11.749 -6.703 -6.903 1.00 0.00 C ATOM 744 CD LYS B 28 -11.927 -7.558 -5.648 1.00 0.00 C ATOM 745 CE LYS B 28 -11.762 -9.035 -6.010 1.00 0.00 C ATOM 746 NZ LYS B 28 -10.465 -9.536 -5.476 1.00 0.00 N ATOM 0 H LYS B 28 -10.499 -3.006 -5.327 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.882 -5.164 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.107 -5.121 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.730 -4.786 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.494 -6.976 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.770 -6.888 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.193 -7.273 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.912 -7.387 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.586 -9.616 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.795 -9.161 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.353 -10.540 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.684 -8.989 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.451 -9.430 -4.442 1.00 0.00 H new ATOM 760 N PRO B 29 -11.460 -3.785 -9.007 1.00 0.00 N ATOM 761 CA PRO B 29 -11.805 -2.910 -10.134 1.00 0.00 C ATOM 762 C PRO B 29 -13.194 -2.298 -9.932 1.00 0.00 C ATOM 763 O PRO B 29 -14.187 -2.996 -9.864 1.00 0.00 O ATOM 764 CB PRO B 29 -11.794 -3.874 -11.327 1.00 0.00 C ATOM 765 CG PRO B 29 -12.010 -5.300 -10.747 1.00 0.00 C ATOM 766 CD PRO B 29 -11.797 -5.194 -9.225 1.00 0.00 C ATOM 0 HA PRO B 29 -11.125 -2.067 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.581 -3.621 -12.037 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.848 -3.814 -11.865 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.013 -5.662 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.308 -6.008 -11.188 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.695 -5.478 -8.676 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.996 -5.852 -8.888 1.00 0.00 H new ATOM 774 N THR B 30 -13.272 -0.999 -9.836 1.00 0.00 N ATOM 775 CA THR B 30 -14.597 -0.345 -9.639 1.00 0.00 C ATOM 776 C THR B 30 -14.530 1.104 -10.125 1.00 0.00 C ATOM 777 O THR B 30 -15.524 1.581 -10.646 1.00 0.00 O ATOM 778 CB THR B 30 -14.961 -0.369 -8.152 1.00 0.00 C ATOM 779 OG1 THR B 30 -16.042 0.523 -7.917 1.00 0.00 O ATOM 780 CG2 THR B 30 -13.751 0.065 -7.322 1.00 0.00 C ATOM 781 OXT THR B 30 -13.482 1.712 -9.969 1.00 0.00 O ATOM 0 H THR B 30 -12.476 -0.363 -9.885 1.00 0.00 H new ATOM 0 HA THR B 30 -15.355 -0.883 -10.208 1.00 0.00 H new ATOM 0 HB THR B 30 -15.253 -1.379 -7.865 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.278 0.508 -6.966 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.011 0.048 -6.264 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.921 -0.618 -7.503 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.458 1.075 -7.607 1.00 0.00 H new TER 789 THR B 30