USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 322 hydrogens (31 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: A 11 NLE HN2 : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 11 NLE H : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 22 ABA HN2 : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 22 ABA H : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 26 NLE HN2 : A 26 NLE N : A 25 LEU C :(H bumps) USER MOD Single : A 1 VAL N :NH3+ -175:sc=-0.00143 (180deg=-0.0182) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.0901 K(o=0.09,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.543 8.457 -7.918 1.00 0.00 N ATOM 2 CA VAL A 1 16.253 8.013 -6.522 1.00 0.00 C ATOM 3 C VAL A 1 17.310 8.527 -5.541 1.00 0.00 C ATOM 4 O VAL A 1 18.428 8.850 -5.944 1.00 0.00 O ATOM 5 CB VAL A 1 16.083 6.481 -6.385 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.803 6.001 -7.079 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.270 5.662 -6.916 1.00 0.00 C ATOM 0 H1 VAL A 1 15.765 8.165 -8.544 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.635 9.493 -7.941 1.00 0.00 H new ATOM 0 H3 VAL A 1 17.431 8.023 -8.243 1.00 0.00 H new ATOM 0 HA VAL A 1 15.291 8.456 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 1 16.026 6.307 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.711 4.921 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.939 6.488 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.848 6.252 -8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 1 17.068 4.599 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 1 17.412 5.873 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 1 18.173 5.932 -6.368 1.00 0.00 H new ATOM 19 N VAL A 2 16.968 8.592 -4.247 1.00 0.00 N ATOM 20 CA VAL A 2 17.828 9.105 -3.148 1.00 0.00 C ATOM 21 C VAL A 2 17.872 8.150 -1.937 1.00 0.00 C ATOM 22 O VAL A 2 18.087 8.575 -0.802 1.00 0.00 O ATOM 23 CB VAL A 2 17.413 10.539 -2.733 1.00 0.00 C ATOM 24 CG1 VAL A 2 17.592 11.536 -3.885 1.00 0.00 C ATOM 25 CG2 VAL A 2 15.961 10.633 -2.237 1.00 0.00 C ATOM 0 H VAL A 2 16.055 8.280 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 2 18.845 9.153 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 2 18.077 10.793 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.291 12.530 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.638 11.556 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.974 11.231 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.736 11.664 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.284 10.312 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.831 9.990 -1.367 1.00 0.00 H new ATOM 35 N PHE A 3 17.608 6.856 -2.163 1.00 0.00 N ATOM 36 CA PHE A 3 17.379 5.822 -1.137 1.00 0.00 C ATOM 37 C PHE A 3 16.375 6.233 -0.033 1.00 0.00 C ATOM 38 O PHE A 3 16.506 5.876 1.139 1.00 0.00 O ATOM 39 CB PHE A 3 18.727 5.274 -0.627 1.00 0.00 C ATOM 40 CG PHE A 3 18.618 3.978 0.163 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.994 3.941 1.519 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.112 2.811 -0.449 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.856 2.749 2.259 1.00 0.00 C ATOM 44 CE2 PHE A 3 17.968 1.624 0.292 1.00 0.00 C ATOM 45 CZ PHE A 3 18.339 1.592 1.647 1.00 0.00 C ATOM 0 H PHE A 3 17.545 6.481 -3.109 1.00 0.00 H new ATOM 0 HA PHE A 3 16.860 4.989 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.386 5.111 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.199 6.030 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.389 4.827 1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 3 17.834 2.830 -1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.148 2.724 3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.572 0.737 -0.181 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.228 0.682 2.217 1.00 0.00 H new ATOM 55 N TYR A 4 15.341 6.988 -0.427 1.00 0.00 N ATOM 56 CA TYR A 4 14.137 7.294 0.365 1.00 0.00 C ATOM 57 C TYR A 4 14.391 7.906 1.759 1.00 0.00 C ATOM 58 O TYR A 4 13.588 7.736 2.679 1.00 0.00 O ATOM 59 CB TYR A 4 13.233 6.047 0.384 1.00 0.00 C ATOM 60 CG TYR A 4 12.897 5.528 -1.002 1.00 0.00 C ATOM 61 CD1 TYR A 4 11.956 6.212 -1.798 1.00 0.00 C ATOM 62 CD2 TYR A 4 13.563 4.397 -1.519 1.00 0.00 C ATOM 63 CE1 TYR A 4 11.679 5.768 -3.106 1.00 0.00 C ATOM 64 CE2 TYR A 4 13.292 3.952 -2.829 1.00 0.00 C ATOM 65 CZ TYR A 4 12.347 4.637 -3.626 1.00 0.00 C ATOM 66 OH TYR A 4 12.077 4.218 -4.893 1.00 0.00 O ATOM 0 H TYR A 4 15.318 7.423 -1.349 1.00 0.00 H new ATOM 0 HA TYR A 4 13.617 8.112 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.727 5.257 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.308 6.285 0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.446 7.079 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.283 3.871 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.955 6.293 -3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 4 13.806 3.088 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 4 12.620 3.429 -5.099 1.00 0.00 H new ATOM 76 N VAL A 5 15.483 8.667 1.913 1.00 0.00 N ATOM 77 CA VAL A 5 15.948 9.303 3.170 1.00 0.00 C ATOM 78 C VAL A 5 14.965 10.274 3.855 1.00 0.00 C ATOM 79 O VAL A 5 15.240 10.726 4.968 1.00 0.00 O ATOM 80 CB VAL A 5 17.319 9.992 2.977 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.420 8.960 2.703 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.318 11.037 1.852 1.00 0.00 C ATOM 0 H VAL A 5 16.103 8.871 1.129 1.00 0.00 H new ATOM 0 HA VAL A 5 16.032 8.461 3.857 1.00 0.00 H new ATOM 0 HB VAL A 5 17.520 10.513 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.373 9.471 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.491 8.271 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.179 8.403 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.309 11.483 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.056 10.557 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.588 11.814 2.078 1.00 0.00 H new ATOM 92 N ALA A 6 13.812 10.572 3.243 1.00 0.00 N ATOM 93 CA ALA A 6 12.710 11.326 3.852 1.00 0.00 C ATOM 94 C ALA A 6 11.398 10.520 3.954 1.00 0.00 C ATOM 95 O ALA A 6 10.686 10.644 4.954 1.00 0.00 O ATOM 96 CB ALA A 6 12.524 12.632 3.069 1.00 0.00 C ATOM 0 H ALA A 6 13.615 10.287 2.284 1.00 0.00 H new ATOM 0 HA ALA A 6 12.975 11.548 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.708 13.206 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.443 13.216 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.288 12.403 2.030 1.00 0.00 H new ATOM 102 N LEU A 7 11.089 9.659 2.978 1.00 0.00 N ATOM 103 CA LEU A 7 9.908 8.781 2.990 1.00 0.00 C ATOM 104 C LEU A 7 10.030 7.704 4.088 1.00 0.00 C ATOM 105 O LEU A 7 9.128 7.522 4.905 1.00 0.00 O ATOM 106 CB LEU A 7 9.744 8.183 1.575 1.00 0.00 C ATOM 107 CG LEU A 7 8.315 7.768 1.175 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.324 7.340 -0.294 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.739 6.610 1.992 1.00 0.00 C ATOM 0 H LEU A 7 11.662 9.549 2.141 1.00 0.00 H new ATOM 0 HA LEU A 7 9.010 9.347 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.105 8.913 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.390 7.309 1.495 1.00 0.00 H new ATOM 0 HG LEU A 7 7.685 8.637 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.319 7.043 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.655 8.173 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.004 6.498 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.731 6.385 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.370 5.730 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.705 6.889 3.045 1.00 0.00 H new ATOM 121 N THR A 8 11.176 7.026 4.165 1.00 0.00 N ATOM 122 CA THR A 8 11.467 6.019 5.202 1.00 0.00 C ATOM 123 C THR A 8 11.644 6.638 6.601 1.00 0.00 C ATOM 124 O THR A 8 11.382 5.966 7.599 1.00 0.00 O ATOM 125 CB THR A 8 12.716 5.206 4.804 1.00 0.00 C ATOM 126 OG1 THR A 8 12.531 4.667 3.508 1.00 0.00 O ATOM 127 CG2 THR A 8 12.997 4.006 5.715 1.00 0.00 C ATOM 0 H THR A 8 11.941 7.158 3.504 1.00 0.00 H new ATOM 0 HA THR A 8 10.604 5.357 5.265 1.00 0.00 H new ATOM 0 HB THR A 8 13.549 5.906 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.324 4.151 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.891 3.487 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.152 4.353 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.148 3.323 5.689 1.00 0.00 H new ATOM 135 N ALA A 9 12.015 7.923 6.687 1.00 0.00 N ATOM 136 CA ALA A 9 12.396 8.579 7.938 1.00 0.00 C ATOM 137 C ALA A 9 11.309 9.520 8.486 1.00 0.00 C ATOM 138 O ALA A 9 10.696 9.222 9.512 1.00 0.00 O ATOM 139 CB ALA A 9 13.734 9.295 7.710 1.00 0.00 C ATOM 0 H ALA A 9 12.058 8.541 5.877 1.00 0.00 H new ATOM 0 HA ALA A 9 12.510 7.823 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.041 9.793 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.492 8.567 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.621 10.034 6.917 1.00 0.00 H new ATOM 145 N VAL A 10 11.052 10.659 7.831 1.00 0.00 N ATOM 146 CA VAL A 10 10.115 11.695 8.324 1.00 0.00 C ATOM 147 C VAL A 10 8.650 11.286 8.131 1.00 0.00 C ATOM 148 O VAL A 10 7.830 11.494 9.027 1.00 0.00 O ATOM 149 CB VAL A 10 10.335 13.070 7.657 1.00 0.00 C ATOM 150 CG1 VAL A 10 9.772 14.183 8.573 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.830 13.391 7.399 1.00 0.00 C ATOM 0 H VAL A 10 11.487 10.896 6.939 1.00 0.00 H new ATOM 0 HA VAL A 10 10.331 11.785 9.389 1.00 0.00 H new ATOM 0 HB VAL A 10 9.822 13.030 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.927 15.154 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.705 14.021 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.287 14.159 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.916 14.371 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.370 13.394 8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.256 12.634 6.741 1.00 0.00 H new HETATM 161 N NLE A 11 8.356 10.583 7.028 1.00 0.00 N HETATM 162 CA NLE A 11 7.057 9.945 6.765 1.00 0.00 C HETATM 163 C NLE A 11 6.989 8.508 7.331 1.00 0.00 C HETATM 164 O NLE A 11 6.086 7.752 6.980 1.00 0.00 O HETATM 165 CB NLE A 11 6.719 9.972 5.263 1.00 0.00 C HETATM 166 CG NLE A 11 6.881 11.356 4.607 1.00 0.00 C HETATM 167 CD NLE A 11 6.423 11.378 3.139 1.00 0.00 C HETATM 168 CE NLE A 11 4.896 11.379 2.980 1.00 0.00 C HETATM 0 HG3 NLE A 11 6.307 12.090 5.173 1.00 0.00 H new HETATM 0 HG2 NLE A 11 7.927 11.658 4.661 1.00 0.00 H new HETATM 0 HE3 NLE A 11 4.482 10.482 3.440 1.00 0.00 H new HETATM 0 HE2 NLE A 11 4.480 12.261 3.467 1.00 0.00 H new HETATM 0 HE1 NLE A 11 4.641 11.395 1.920 1.00 0.00 H new HETATM 0 HD3 NLE A 11 6.833 12.262 2.651 1.00 0.00 H new HETATM 0 HD2 NLE A 11 6.835 10.510 2.624 1.00 0.00 H new HETATM 0 HB3 NLE A 11 7.360 9.259 4.744 1.00 0.00 H new HETATM 0 HB2 NLE A 11 5.691 9.635 5.127 1.00 0.00 H new HETATM 0 HA NLE A 11 6.301 10.529 7.290 1.00 0.00 H new ATOM 180 N VAL A 12 7.925 8.142 8.221 1.00 0.00 N ATOM 181 CA VAL A 12 8.028 6.869 8.971 1.00 0.00 C ATOM 182 C VAL A 12 7.708 5.597 8.165 1.00 0.00 C ATOM 183 O VAL A 12 7.081 4.661 8.668 1.00 0.00 O ATOM 184 CB VAL A 12 7.286 6.939 10.327 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.892 8.021 11.231 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.777 7.200 10.213 1.00 0.00 C ATOM 0 H VAL A 12 8.691 8.773 8.457 1.00 0.00 H new ATOM 0 HA VAL A 12 9.091 6.759 9.187 1.00 0.00 H new ATOM 0 HB VAL A 12 7.415 5.947 10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.352 8.049 12.177 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.941 7.793 11.419 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.814 8.991 10.740 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.337 7.233 11.210 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.609 8.153 9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.312 6.399 9.638 1.00 0.00 H new ATOM 196 N ALA A 13 8.149 5.552 6.902 1.00 0.00 N ATOM 197 CA ALA A 13 7.906 4.464 5.950 1.00 0.00 C ATOM 198 C ALA A 13 6.409 4.160 5.714 1.00 0.00 C ATOM 199 O ALA A 13 6.004 2.996 5.635 1.00 0.00 O ATOM 200 CB ALA A 13 8.757 3.237 6.330 1.00 0.00 C ATOM 0 H ALA A 13 8.708 6.304 6.500 1.00 0.00 H new ATOM 0 HA ALA A 13 8.237 4.796 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.572 2.432 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.813 3.506 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.489 2.904 7.333 1.00 0.00 H new ATOM 206 N VAL A 14 5.581 5.208 5.566 1.00 0.00 N ATOM 207 CA VAL A 14 4.147 5.141 5.194 1.00 0.00 C ATOM 208 C VAL A 14 3.837 4.150 4.056 1.00 0.00 C ATOM 209 O VAL A 14 2.808 3.479 4.087 1.00 0.00 O ATOM 210 CB VAL A 14 3.600 6.552 4.884 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.264 7.214 3.667 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.081 6.551 4.684 1.00 0.00 C ATOM 0 H VAL A 14 5.900 6.167 5.707 1.00 0.00 H new ATOM 0 HA VAL A 14 3.626 4.742 6.065 1.00 0.00 H new ATOM 0 HB VAL A 14 3.850 7.142 5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.831 8.202 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.335 7.312 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.098 6.599 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.742 7.564 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.824 5.897 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.595 6.191 5.591 1.00 0.00 H new ATOM 222 N ALA A 15 4.773 3.976 3.110 1.00 0.00 N ATOM 223 CA ALA A 15 4.688 3.006 2.020 1.00 0.00 C ATOM 224 C ALA A 15 4.458 1.551 2.483 1.00 0.00 C ATOM 225 O ALA A 15 3.735 0.822 1.808 1.00 0.00 O ATOM 226 CB ALA A 15 5.967 3.121 1.180 1.00 0.00 C ATOM 0 H ALA A 15 5.633 4.525 3.086 1.00 0.00 H new ATOM 0 HA ALA A 15 3.805 3.248 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.928 2.406 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.049 4.131 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.834 2.908 1.806 1.00 0.00 H new ATOM 232 N LEU A 16 5.012 1.122 3.627 1.00 0.00 N ATOM 233 CA LEU A 16 4.790 -0.224 4.181 1.00 0.00 C ATOM 234 C LEU A 16 3.325 -0.426 4.607 1.00 0.00 C ATOM 235 O LEU A 16 2.689 -1.410 4.229 1.00 0.00 O ATOM 236 CB LEU A 16 5.751 -0.435 5.369 1.00 0.00 C ATOM 237 CG LEU A 16 5.596 -1.786 6.098 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.854 -2.987 5.186 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.575 -1.854 7.270 1.00 0.00 C ATOM 0 H LEU A 16 5.629 1.701 4.197 1.00 0.00 H new ATOM 0 HA LEU A 16 4.995 -0.967 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.776 -0.349 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.598 0.369 6.089 1.00 0.00 H new ATOM 0 HG LEU A 16 4.563 -1.838 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.730 -3.909 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.146 -2.974 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.870 -2.935 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.463 -2.809 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.595 -1.759 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.366 -1.042 7.966 1.00 0.00 H new ATOM 251 N TYR A 17 2.781 0.526 5.366 1.00 0.00 N ATOM 252 CA TYR A 17 1.397 0.500 5.848 1.00 0.00 C ATOM 253 C TYR A 17 0.387 0.627 4.696 1.00 0.00 C ATOM 254 O TYR A 17 -0.636 -0.058 4.692 1.00 0.00 O ATOM 255 CB TYR A 17 1.197 1.619 6.881 1.00 0.00 C ATOM 256 CG TYR A 17 2.166 1.564 8.051 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.883 0.750 9.168 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.359 2.313 8.017 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.782 0.699 10.251 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.261 2.264 9.097 1.00 0.00 C ATOM 261 CZ TYR A 17 3.974 1.458 10.220 1.00 0.00 C ATOM 262 OH TYR A 17 4.840 1.408 11.271 1.00 0.00 O ATOM 0 H TYR A 17 3.298 1.352 5.669 1.00 0.00 H new ATOM 0 HA TYR A 17 1.214 -0.465 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.301 2.582 6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.178 1.567 7.264 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.975 0.165 9.193 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.583 2.928 7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.560 0.079 11.107 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.172 2.843 9.066 1.00 0.00 H new ATOM 0 HH TYR A 17 5.609 1.987 11.089 1.00 0.00 H new ATOM 272 N ALA A 18 0.702 1.448 3.686 1.00 0.00 N ATOM 273 CA ALA A 18 -0.068 1.553 2.449 1.00 0.00 C ATOM 274 C ALA A 18 -0.040 0.244 1.636 1.00 0.00 C ATOM 275 O ALA A 18 -1.096 -0.308 1.333 1.00 0.00 O ATOM 276 CB ALA A 18 0.466 2.743 1.641 1.00 0.00 C ATOM 0 H ALA A 18 1.513 2.066 3.710 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.117 1.724 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.099 2.836 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.357 3.657 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.519 2.583 1.410 1.00 0.00 H new ATOM 282 N TYR A 19 1.141 -0.310 1.334 1.00 0.00 N ATOM 283 CA TYR A 19 1.291 -1.589 0.624 1.00 0.00 C ATOM 284 C TYR A 19 0.560 -2.738 1.335 1.00 0.00 C ATOM 285 O TYR A 19 -0.071 -3.571 0.687 1.00 0.00 O ATOM 286 CB TYR A 19 2.787 -1.899 0.457 1.00 0.00 C ATOM 287 CG TYR A 19 3.093 -3.092 -0.428 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.155 -4.390 0.120 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.337 -2.897 -1.802 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.463 -5.490 -0.704 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.650 -3.994 -2.628 1.00 0.00 C ATOM 292 CZ TYR A 19 3.715 -5.293 -2.081 1.00 0.00 C ATOM 293 OH TYR A 19 4.018 -6.357 -2.872 1.00 0.00 O ATOM 0 H TYR A 19 2.032 0.122 1.579 1.00 0.00 H new ATOM 0 HA TYR A 19 0.827 -1.495 -0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.282 -1.021 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.220 -2.074 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.966 -4.541 1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.284 -1.904 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.507 -6.484 -0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.840 -3.841 -3.680 1.00 0.00 H new ATOM 0 HH TYR A 19 4.162 -6.051 -3.792 1.00 0.00 H new ATOM 303 N GLY A 20 0.548 -2.725 2.670 1.00 0.00 N ATOM 304 CA GLY A 20 -0.185 -3.663 3.526 1.00 0.00 C ATOM 305 C GLY A 20 -1.718 -3.667 3.408 1.00 0.00 C ATOM 306 O GLY A 20 -2.364 -4.470 4.083 1.00 0.00 O ATOM 0 H GLY A 20 1.070 -2.032 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.174 -4.669 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.074 -3.448 4.563 1.00 0.00 H new ATOM 310 N LEU A 21 -2.308 -2.816 2.554 1.00 0.00 N ATOM 311 CA LEU A 21 -3.725 -2.880 2.162 1.00 0.00 C ATOM 312 C LEU A 21 -3.989 -2.559 0.678 1.00 0.00 C ATOM 313 O LEU A 21 -4.964 -3.057 0.114 1.00 0.00 O ATOM 314 CB LEU A 21 -4.564 -2.026 3.136 1.00 0.00 C ATOM 315 CG LEU A 21 -4.368 -0.497 3.078 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.311 0.176 2.074 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.663 0.108 4.454 1.00 0.00 C ATOM 0 H LEU A 21 -1.804 -2.050 2.108 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.045 -3.919 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.617 -2.239 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.345 -2.357 4.151 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.337 -0.324 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.133 1.251 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.127 -0.224 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.345 -0.020 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.525 1.188 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.692 -0.116 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.983 -0.318 5.192 1.00 0.00 H new HETATM 329 N ABA A 22 -3.110 -1.797 0.017 1.00 0.00 N HETATM 330 CA ABA A 22 -3.153 -1.533 -1.429 1.00 0.00 C HETATM 331 C ABA A 22 -2.602 -2.702 -2.272 1.00 0.00 C HETATM 332 O ABA A 22 -2.863 -2.761 -3.476 1.00 0.00 O HETATM 333 CB ABA A 22 -2.378 -0.243 -1.749 1.00 0.00 C HETATM 334 CG ABA A 22 -3.027 1.002 -1.130 1.00 0.00 C HETATM 0 HG3 ABA A 22 -3.063 0.893 -0.046 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -4.040 1.115 -1.517 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.440 1.884 -1.387 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.318 -0.118 -2.830 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.356 -0.337 -1.382 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.203 -1.417 -1.699 1.00 0.00 H new ATOM 342 N PHE A 23 -1.879 -3.641 -1.651 1.00 0.00 N ATOM 343 CA PHE A 23 -1.318 -4.844 -2.287 1.00 0.00 C ATOM 344 C PHE A 23 -1.538 -6.104 -1.437 1.00 0.00 C ATOM 345 O PHE A 23 -2.039 -7.103 -1.957 1.00 0.00 O ATOM 346 CB PHE A 23 0.187 -4.634 -2.547 1.00 0.00 C ATOM 347 CG PHE A 23 0.549 -4.356 -3.993 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.806 -5.430 -4.867 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.670 -3.033 -4.457 1.00 0.00 C ATOM 350 CE1 PHE A 23 1.185 -5.181 -6.200 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.052 -2.784 -5.789 1.00 0.00 C ATOM 352 CZ PHE A 23 1.312 -3.858 -6.659 1.00 0.00 C ATOM 0 H PHE A 23 -1.659 -3.584 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.840 -4.998 -3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.535 -3.803 -1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.726 -5.522 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.712 -6.446 -4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.470 -2.207 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.378 -6.006 -6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.145 -1.768 -6.143 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.609 -3.667 -7.680 1.00 0.00 H new ATOM 362 N ARG A 24 -1.194 -6.060 -0.137 1.00 0.00 N ATOM 363 CA ARG A 24 -1.235 -7.173 0.845 1.00 0.00 C ATOM 364 C ARG A 24 -0.744 -8.540 0.320 1.00 0.00 C ATOM 365 O ARG A 24 -1.235 -9.593 0.725 1.00 0.00 O ATOM 366 CB ARG A 24 -2.586 -7.183 1.605 1.00 0.00 C ATOM 367 CG ARG A 24 -3.892 -7.184 0.790 1.00 0.00 C ATOM 368 CD ARG A 24 -4.189 -8.501 0.064 1.00 0.00 C ATOM 369 NE ARG A 24 -5.471 -8.419 -0.666 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.654 -8.112 -1.935 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.673 -7.839 -2.751 1.00 0.00 N ATOM 372 NH2 ARG A 24 -6.863 -8.059 -2.414 1.00 0.00 N ATOM 0 H ARG A 24 -0.858 -5.196 0.288 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.467 -6.966 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.597 -8.063 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.604 -6.310 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.722 -6.957 1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.847 -6.381 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.382 -8.727 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.227 -9.318 0.784 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.312 -8.624 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.710 -7.857 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.869 -7.607 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.660 -8.254 -1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.013 -7.822 -3.395 1.00 0.00 H new ATOM 386 N LEU A 25 0.234 -8.509 -0.593 1.00 0.00 N ATOM 387 CA LEU A 25 0.794 -9.673 -1.300 1.00 0.00 C ATOM 388 C LEU A 25 1.606 -10.621 -0.389 1.00 0.00 C ATOM 389 O LEU A 25 1.733 -11.811 -0.684 1.00 0.00 O ATOM 390 CB LEU A 25 1.657 -9.126 -2.456 1.00 0.00 C ATOM 391 CG LEU A 25 2.203 -10.172 -3.449 1.00 0.00 C ATOM 392 CD1 LEU A 25 1.087 -10.940 -4.162 1.00 0.00 C ATOM 393 CD2 LEU A 25 3.050 -9.474 -4.515 1.00 0.00 C ATOM 0 H LEU A 25 0.678 -7.635 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.024 -10.290 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.064 -8.401 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.501 -8.586 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 25 2.795 -10.880 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.525 -11.664 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.477 -11.463 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.463 -10.241 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.435 -10.214 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.436 -8.751 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.883 -8.958 -4.038 1.00 0.00 H new HETATM 405 N NLE A 26 2.130 -10.094 0.720 1.00 0.00 N HETATM 406 CA NLE A 26 2.914 -10.793 1.746 1.00 0.00 C HETATM 407 C NLE A 26 2.705 -10.142 3.127 1.00 0.00 C HETATM 408 O NLE A 26 2.236 -9.004 3.216 1.00 0.00 O HETATM 409 CB NLE A 26 4.400 -10.817 1.336 1.00 0.00 C HETATM 410 CG NLE A 26 5.042 -9.421 1.210 1.00 0.00 C HETATM 411 CD NLE A 26 6.506 -9.468 0.741 1.00 0.00 C HETATM 412 CE NLE A 26 6.666 -9.916 -0.717 1.00 0.00 C HETATM 0 HG3 NLE A 26 4.461 -8.823 0.508 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.992 -8.917 2.175 1.00 0.00 H new HETATM 0 HE3 NLE A 26 6.252 -10.917 -0.837 1.00 0.00 H new HETATM 0 HE2 NLE A 26 6.136 -9.223 -1.371 1.00 0.00 H new HETATM 0 HE1 NLE A 26 7.724 -9.926 -0.981 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.949 -8.479 0.860 1.00 0.00 H new HETATM 0 HD2 NLE A 26 7.064 -10.147 1.385 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.959 -11.397 2.070 1.00 0.00 H new HETATM 0 HB2 NLE A 26 4.494 -11.336 0.382 1.00 0.00 H new HETATM 0 HA NLE A 26 2.570 -11.824 1.826 1.00 0.00 H new HETATM 0 H NLE A 26 1.552 -9.294 0.977 1.00 0.00 H new ATOM 424 N GLY A 27 3.043 -10.862 4.202 1.00 0.00 N ATOM 425 CA GLY A 27 2.688 -10.460 5.573 1.00 0.00 C ATOM 426 C GLY A 27 3.521 -11.052 6.718 1.00 0.00 C ATOM 427 O GLY A 27 3.147 -10.899 7.882 1.00 0.00 O ATOM 0 H GLY A 27 3.567 -11.735 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.755 -9.374 5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.645 -10.725 5.743 1.00 0.00 H new ATOM 431 N ALA A 28 4.648 -11.711 6.429 1.00 0.00 N ATOM 432 CA ALA A 28 5.525 -12.309 7.447 1.00 0.00 C ATOM 433 C ALA A 28 6.225 -11.282 8.372 1.00 0.00 C ATOM 434 O ALA A 28 6.749 -11.657 9.424 1.00 0.00 O ATOM 435 CB ALA A 28 6.550 -13.199 6.728 1.00 0.00 C ATOM 0 H ALA A 28 4.982 -11.847 5.475 1.00 0.00 H new ATOM 0 HA ALA A 28 4.900 -12.895 8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.214 -13.655 7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.029 -13.980 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.136 -12.594 6.036 1.00 0.00 H new ATOM 441 N SER A 29 6.251 -9.995 7.994 1.00 0.00 N ATOM 442 CA SER A 29 6.906 -8.895 8.734 1.00 0.00 C ATOM 443 C SER A 29 6.178 -7.538 8.588 1.00 0.00 C ATOM 444 O SER A 29 6.792 -6.481 8.756 1.00 0.00 O ATOM 445 CB SER A 29 8.376 -8.777 8.285 1.00 0.00 C ATOM 446 OG SER A 29 9.125 -9.932 8.642 1.00 0.00 O ATOM 0 H SER A 29 5.802 -9.676 7.135 1.00 0.00 H new ATOM 0 HA SER A 29 6.858 -9.146 9.794 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.417 -8.635 7.205 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.827 -7.895 8.740 1.00 0.00 H new ATOM 0 HG SER A 29 10.052 -9.826 8.342 1.00 0.00 H new ATOM 452 N GLY A 30 4.878 -7.534 8.262 1.00 0.00 N ATOM 453 CA GLY A 30 4.092 -6.297 8.119 1.00 0.00 C ATOM 454 C GLY A 30 2.578 -6.500 7.928 1.00 0.00 C ATOM 455 O GLY A 30 2.126 -7.643 7.777 1.00 0.00 O ATOM 0 H GLY A 30 4.342 -8.384 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.251 -5.680 9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.478 -5.737 7.267 1.00 0.00 H new ATOM 459 N PRO A 31 1.780 -5.408 7.952 1.00 0.00 N ATOM 460 CA PRO A 31 0.323 -5.444 7.777 1.00 0.00 C ATOM 461 C PRO A 31 -0.117 -6.166 6.493 1.00 0.00 C ATOM 462 O PRO A 31 0.504 -6.013 5.442 1.00 0.00 O ATOM 463 CB PRO A 31 -0.138 -3.979 7.774 1.00 0.00 C ATOM 464 CG PRO A 31 0.973 -3.238 8.513 1.00 0.00 C ATOM 465 CD PRO A 31 2.225 -4.030 8.144 1.00 0.00 C ATOM 0 HA PRO A 31 -0.134 -6.016 8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.262 -3.602 6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.098 -3.862 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.045 -2.198 8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.804 -3.230 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.683 -3.637 7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.975 -3.967 8.933 1.00 0.00 H new ATOM 473 N ASN A 32 -1.192 -6.955 6.580 1.00 0.00 N ATOM 474 CA ASN A 32 -1.665 -7.809 5.472 1.00 0.00 C ATOM 475 C ASN A 32 -3.162 -8.195 5.554 1.00 0.00 C ATOM 476 O ASN A 32 -3.615 -9.094 4.843 1.00 0.00 O ATOM 477 CB ASN A 32 -0.743 -9.049 5.384 1.00 0.00 C ATOM 478 CG ASN A 32 -0.804 -9.938 6.615 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.572 -10.886 6.685 1.00 0.00 O ATOM 480 ND2 ASN A 32 0.008 -9.686 7.616 1.00 0.00 N ATOM 0 H ASN A 32 -1.765 -7.024 7.421 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.602 -7.227 4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.019 -9.636 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.285 -8.718 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.005 -10.280 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.652 -8.896 7.564 1.00 0.00 H new ATOM 487 N LYS A 33 -3.940 -7.556 6.443 1.00 0.00 N ATOM 488 CA LYS A 33 -5.301 -7.970 6.852 1.00 0.00 C ATOM 489 C LYS A 33 -6.375 -6.888 6.605 1.00 0.00 C ATOM 490 O LYS A 33 -7.442 -6.924 7.220 1.00 0.00 O ATOM 491 CB LYS A 33 -5.282 -8.449 8.324 1.00 0.00 C ATOM 492 CG LYS A 33 -4.415 -9.689 8.598 1.00 0.00 C ATOM 493 CD LYS A 33 -4.897 -10.943 7.850 1.00 0.00 C ATOM 494 CE LYS A 33 -4.117 -12.179 8.319 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.563 -13.409 7.608 1.00 0.00 N ATOM 0 H LYS A 33 -3.632 -6.706 6.916 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.594 -8.803 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.926 -7.631 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.305 -8.665 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.386 -9.475 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.411 -9.892 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.963 -11.090 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.765 -10.807 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.052 -12.025 8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.251 -12.309 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.016 -14.225 7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.574 -13.569 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.411 -13.293 6.586 1.00 0.00 H new ATOM 509 N LYS A 34 -6.094 -5.946 5.702 1.00 0.00 N ATOM 510 CA LYS A 34 -6.999 -4.892 5.200 1.00 0.00 C ATOM 511 C LYS A 34 -6.913 -4.800 3.674 1.00 0.00 C ATOM 512 O LYS A 34 -5.986 -5.332 3.060 1.00 0.00 O ATOM 513 CB LYS A 34 -6.663 -3.542 5.865 1.00 0.00 C ATOM 514 CG LYS A 34 -6.907 -3.511 7.383 1.00 0.00 C ATOM 515 CD LYS A 34 -6.685 -2.088 7.920 1.00 0.00 C ATOM 516 CE LYS A 34 -6.887 -1.987 9.439 1.00 0.00 C ATOM 517 NZ LYS A 34 -5.780 -2.617 10.207 1.00 0.00 N ATOM 0 H LYS A 34 -5.172 -5.889 5.270 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.026 -5.149 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.617 -3.304 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.260 -2.760 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.923 -3.838 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.233 -4.207 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.675 -1.764 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.372 -1.405 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.969 -0.938 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.829 -2.464 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.966 -2.521 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.716 -3.625 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.883 -2.146 9.973 1.00 0.00 H new ATOM 531 N GLU A 35 -7.858 -4.097 3.056 1.00 0.00 N ATOM 532 CA GLU A 35 -7.929 -3.881 1.604 1.00 0.00 C ATOM 533 C GLU A 35 -8.405 -2.450 1.286 1.00 0.00 C ATOM 534 O GLU A 35 -8.996 -1.777 2.135 1.00 0.00 O ATOM 535 CB GLU A 35 -8.882 -4.901 0.947 1.00 0.00 C ATOM 536 CG GLU A 35 -8.487 -6.367 1.170 1.00 0.00 C ATOM 537 CD GLU A 35 -9.392 -7.326 0.377 1.00 0.00 C ATOM 538 OE1 GLU A 35 -10.617 -7.379 0.643 1.00 0.00 O ATOM 539 OE2 GLU A 35 -8.869 -8.044 -0.512 1.00 0.00 O ATOM 0 H GLU A 35 -8.621 -3.646 3.562 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.927 -4.018 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.888 -4.744 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.921 -4.706 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.449 -6.514 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.549 -6.603 2.232 1.00 0.00 H new ATOM 546 N SER A 36 -8.184 -1.984 0.052 1.00 0.00 N ATOM 547 CA SER A 36 -8.702 -0.693 -0.444 1.00 0.00 C ATOM 548 C SER A 36 -10.241 -0.643 -0.454 1.00 0.00 C ATOM 549 O SER A 36 -10.901 -1.642 -0.759 1.00 0.00 O ATOM 550 CB SER A 36 -8.200 -0.414 -1.869 1.00 0.00 C ATOM 551 OG SER A 36 -6.781 -0.416 -1.922 1.00 0.00 O ATOM 0 H SER A 36 -7.636 -2.493 -0.641 1.00 0.00 H new ATOM 0 HA SER A 36 -8.331 0.067 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.593 -1.168 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.578 0.550 -2.209 1.00 0.00 H new ATOM 0 HG SER A 36 -6.488 -0.238 -2.840 1.00 0.00 H new ATOM 557 N ARG A 37 -10.816 0.533 -0.158 1.00 0.00 N ATOM 558 CA ARG A 37 -12.270 0.811 -0.096 1.00 0.00 C ATOM 559 C ARG A 37 -12.605 2.173 -0.734 1.00 0.00 C ATOM 560 O ARG A 37 -11.704 2.944 -1.076 1.00 0.00 O ATOM 561 CB ARG A 37 -12.756 0.771 1.374 1.00 0.00 C ATOM 562 CG ARG A 37 -12.499 -0.537 2.144 1.00 0.00 C ATOM 563 CD ARG A 37 -13.251 -1.750 1.588 1.00 0.00 C ATOM 564 NE ARG A 37 -12.821 -2.995 2.251 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.866 -4.225 1.750 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.421 -4.491 0.577 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.364 -5.227 2.410 1.00 0.00 N ATOM 0 H ARG A 37 -10.258 1.359 0.056 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.789 0.039 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.275 1.586 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.828 0.969 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.430 -0.749 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.783 -0.394 3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.323 -1.612 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.077 -1.828 0.515 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.449 -2.902 3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.833 -3.738 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.436 -5.448 0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.931 -5.072 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.403 -6.167 2.017 1.00 0.00 H new ATOM 581 N GLY A 38 -13.896 2.478 -0.878 1.00 0.00 N ATOM 582 CA GLY A 38 -14.399 3.737 -1.450 1.00 0.00 C ATOM 583 C GLY A 38 -15.889 3.986 -1.179 1.00 0.00 C ATOM 584 O GLY A 38 -16.569 3.158 -0.564 1.00 0.00 O ATOM 0 H GLY A 38 -14.642 1.843 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.821 4.567 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.231 3.729 -2.527 1.00 0.00 H new ATOM 588 N ARG A 39 -16.393 5.144 -1.635 1.00 0.00 N ATOM 589 CA ARG A 39 -17.747 5.672 -1.335 1.00 0.00 C ATOM 590 C ARG A 39 -18.528 6.147 -2.577 1.00 0.00 C ATOM 591 O ARG A 39 -19.568 6.796 -2.444 1.00 0.00 O ATOM 592 CB ARG A 39 -17.636 6.794 -0.277 1.00 0.00 C ATOM 593 CG ARG A 39 -17.070 6.316 1.071 1.00 0.00 C ATOM 594 CD ARG A 39 -17.048 7.464 2.086 1.00 0.00 C ATOM 595 NE ARG A 39 -16.509 7.020 3.387 1.00 0.00 N ATOM 596 CZ ARG A 39 -16.244 7.785 4.433 1.00 0.00 C ATOM 597 NH1 ARG A 39 -16.445 9.073 4.420 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.766 7.260 5.526 1.00 0.00 N ATOM 0 H ARG A 39 -15.857 5.764 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 39 -18.332 4.842 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.000 7.588 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -18.623 7.227 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.676 5.496 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.061 5.928 0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.441 8.283 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.058 7.852 2.222 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.322 6.023 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.818 9.522 3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.229 9.631 5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.595 6.256 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.563 7.853 6.330 1.00 0.00 H new ATOM 612 N GLY A 40 -18.044 5.835 -3.784 1.00 0.00 N ATOM 613 CA GLY A 40 -18.697 6.195 -5.055 1.00 0.00 C ATOM 614 C GLY A 40 -17.892 5.873 -6.328 1.00 0.00 C ATOM 615 O GLY A 40 -18.466 5.705 -7.404 1.00 0.00 O ATOM 0 H GLY A 40 -17.174 5.317 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.655 5.677 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.913 7.263 -5.043 1.00 0.00 H new HETATM 619 N NH2 A 41 -16.570 5.745 -6.241 1.00 0.00 N TER 622 NH2 A 41