USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 293 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 8 NLE HN2 : A 8 NLE N : A 7 LEU C :(H bumps) USER MOD NoAdj-H: A 8 NLE H : A 8 NLE N : A 7 LEU C :(H bumps) USER MOD NoAdj-H: A 13 ORN HE2 : A 13 ORN NE : A 17 GLU CD :(H bumps) USER MOD NoAdj-H: A 13 ORN H2 : A 13 ORN N : A 12 GLY C :(H bumps) USER MOD NoAdj-H: A 13 ORN H : A 13 ORN N : A 12 GLY C :(H bumps) USER MOD NoAdj-H: A 18 NLE HN2 : A 18 NLE N : A 17 GLU C :(H bumps) USER MOD NoAdj-H: A 18 NLE H : A 18 NLE N : A 17 GLU C :(H bumps) USER MOD Single : A 1 SER N :NH3+ -163:sc= 0 (180deg=-0.00481) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 4:sc= 0.717 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.028 F(o=-0.58,f=-0.028) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -5.57! C(o=-6.5!,f=-5.6!) USER MOD Single : A 10 ASN :FLIP amide:sc=-0.00242 F(o=-1.3,f=-0.0024) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -3.72! C(o=-4.3!,f=-3.7!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -0.0251 (180deg=-0.256) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= -0.146 (180deg=-0.935) USER MOD Single : A 29 GLN : amide:sc= -0.0698 K(o=-0.07,f=-1.2) USER MOD Single : A 32 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.061) USER MOD Single : A 33 ASN : amide:sc= -2.54! C(o=-2.5!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.927 -8.665 -12.632 1.00 0.00 N ATOM 2 CA SER A 1 17.821 -9.162 -11.765 1.00 0.00 C ATOM 3 C SER A 1 17.747 -10.688 -11.853 1.00 0.00 C ATOM 4 O SER A 1 17.647 -11.371 -10.853 1.00 0.00 O ATOM 5 CB SER A 1 16.497 -8.559 -12.232 1.00 0.00 C ATOM 6 OG SER A 1 16.305 -7.300 -11.601 1.00 0.00 O ATOM 0 H1 SER A 1 19.168 -7.690 -12.363 1.00 0.00 H new ATOM 0 H2 SER A 1 19.762 -9.273 -12.512 1.00 0.00 H new ATOM 0 H3 SER A 1 18.624 -8.685 -13.627 1.00 0.00 H new ATOM 0 HA SER A 1 18.010 -8.868 -10.733 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.501 -8.439 -13.315 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.673 -9.230 -11.989 1.00 0.00 H new ATOM 0 HG SER A 1 15.457 -6.910 -11.900 1.00 0.00 H new ATOM 14 N VAL A 2 17.794 -11.231 -13.040 1.00 0.00 N ATOM 15 CA VAL A 2 17.725 -12.713 -13.183 1.00 0.00 C ATOM 16 C VAL A 2 18.945 -13.345 -12.507 1.00 0.00 C ATOM 17 O VAL A 2 19.686 -12.687 -11.805 1.00 0.00 O ATOM 18 CB VAL A 2 17.709 -13.084 -14.668 1.00 0.00 C ATOM 19 CG1 VAL A 2 16.423 -12.563 -15.311 1.00 0.00 C ATOM 20 CG2 VAL A 2 18.917 -12.456 -15.364 1.00 0.00 C ATOM 0 H VAL A 2 17.877 -10.713 -13.915 1.00 0.00 H new ATOM 0 HA VAL A 2 16.815 -13.084 -12.710 1.00 0.00 H new ATOM 0 HB VAL A 2 17.753 -14.168 -14.771 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.412 -12.827 -16.368 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.561 -13.011 -14.816 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.378 -11.479 -15.208 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.906 -12.720 -16.421 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.874 -11.372 -15.260 1.00 0.00 H new ATOM 0 HG23 VAL A 2 19.834 -12.828 -14.907 1.00 0.00 H new ATOM 30 N SER A 3 19.157 -14.618 -12.706 1.00 0.00 N ATOM 31 CA SER A 3 20.325 -15.286 -12.068 1.00 0.00 C ATOM 32 C SER A 3 21.508 -15.300 -13.036 1.00 0.00 C ATOM 33 O SER A 3 22.403 -16.115 -12.926 1.00 0.00 O ATOM 34 CB SER A 3 19.950 -16.722 -11.701 1.00 0.00 C ATOM 35 OG SER A 3 21.136 -17.474 -11.479 1.00 0.00 O ATOM 0 H SER A 3 18.572 -15.223 -13.282 1.00 0.00 H new ATOM 0 HA SER A 3 20.605 -14.739 -11.168 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.327 -16.730 -10.806 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.364 -17.173 -12.502 1.00 0.00 H new ATOM 0 HG SER A 3 21.916 -16.886 -11.557 1.00 0.00 H new ATOM 41 N GLU A 4 21.527 -14.401 -13.980 1.00 0.00 N ATOM 42 CA GLU A 4 22.662 -14.367 -14.947 1.00 0.00 C ATOM 43 C GLU A 4 23.694 -13.339 -14.473 1.00 0.00 C ATOM 44 O GLU A 4 24.884 -13.583 -14.497 1.00 0.00 O ATOM 45 CB GLU A 4 22.138 -13.998 -16.346 1.00 0.00 C ATOM 46 CG GLU A 4 22.065 -12.474 -16.511 1.00 0.00 C ATOM 47 CD GLU A 4 21.488 -12.138 -17.888 1.00 0.00 C ATOM 48 OE1 GLU A 4 20.704 -12.927 -18.389 1.00 0.00 O ATOM 49 OE2 GLU A 4 21.841 -11.097 -18.419 1.00 0.00 O ATOM 0 H GLU A 4 20.809 -13.691 -14.124 1.00 0.00 H new ATOM 0 HA GLU A 4 23.134 -15.348 -15.001 1.00 0.00 H new ATOM 0 HB2 GLU A 4 22.792 -14.421 -17.108 1.00 0.00 H new ATOM 0 HB3 GLU A 4 21.150 -14.433 -16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 4 21.442 -12.042 -15.728 1.00 0.00 H new ATOM 0 HG3 GLU A 4 23.058 -12.038 -16.405 1.00 0.00 H new ATOM 56 N ILE A 5 23.243 -12.195 -14.037 1.00 0.00 N ATOM 57 CA ILE A 5 24.188 -11.151 -13.554 1.00 0.00 C ATOM 58 C ILE A 5 24.405 -11.324 -12.050 1.00 0.00 C ATOM 59 O ILE A 5 24.512 -10.363 -11.314 1.00 0.00 O ATOM 60 CB ILE A 5 23.596 -9.768 -13.822 1.00 0.00 C ATOM 61 CG1 ILE A 5 24.659 -8.700 -13.556 1.00 0.00 C ATOM 62 CG2 ILE A 5 22.402 -9.537 -12.893 1.00 0.00 C ATOM 63 CD1 ILE A 5 24.171 -7.351 -14.085 1.00 0.00 C ATOM 0 H ILE A 5 22.257 -11.938 -13.995 1.00 0.00 H new ATOM 0 HA ILE A 5 25.139 -11.249 -14.077 1.00 0.00 H new ATOM 0 HB ILE A 5 23.268 -9.707 -14.860 1.00 0.00 H new ATOM 0 HG12 ILE A 5 24.861 -8.632 -12.487 1.00 0.00 H new ATOM 0 HG13 ILE A 5 25.596 -8.975 -14.041 1.00 0.00 H new ATOM 0 HG21 ILE A 5 21.979 -8.551 -13.083 1.00 0.00 H new ATOM 0 HG22 ILE A 5 21.645 -10.299 -13.078 1.00 0.00 H new ATOM 0 HG23 ILE A 5 22.731 -9.597 -11.856 1.00 0.00 H new ATOM 0 HD11 ILE A 5 24.928 -6.590 -13.895 1.00 0.00 H new ATOM 0 HD12 ILE A 5 23.991 -7.424 -15.158 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.245 -7.075 -13.580 1.00 0.00 H new ATOM 75 N GLN A 6 24.466 -12.542 -11.588 1.00 0.00 N ATOM 76 CA GLN A 6 24.671 -12.775 -10.132 1.00 0.00 C ATOM 77 C GLN A 6 26.168 -12.812 -9.825 1.00 0.00 C ATOM 78 O GLN A 6 26.645 -12.137 -8.935 1.00 0.00 O ATOM 79 CB GLN A 6 24.034 -14.108 -9.735 1.00 0.00 C ATOM 80 CG GLN A 6 24.291 -14.374 -8.251 1.00 0.00 C ATOM 81 CD GLN A 6 24.393 -15.882 -8.010 1.00 0.00 C ATOM 82 OE1 GLN A 6 23.762 -16.702 -8.807 1.00 0.00 O flip ATOM 83 NE2 GLN A 6 25.053 -16.318 -7.088 1.00 0.00 N flip ATOM 0 H GLN A 6 24.383 -13.385 -12.156 1.00 0.00 H new ATOM 0 HA GLN A 6 24.206 -11.967 -9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 6 22.962 -14.084 -9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 6 24.450 -14.916 -10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 6 25.212 -13.882 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 6 23.484 -13.953 -7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 6 25.546 -15.677 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 6 25.114 -17.325 -6.936 1.00 0.00 H new ATOM 92 N LEU A 7 26.920 -13.592 -10.550 1.00 0.00 N ATOM 93 CA LEU A 7 28.383 -13.652 -10.281 1.00 0.00 C ATOM 94 C LEU A 7 29.007 -12.298 -10.584 1.00 0.00 C ATOM 95 O LEU A 7 30.112 -11.997 -10.180 1.00 0.00 O ATOM 96 CB LEU A 7 29.025 -14.740 -11.140 1.00 0.00 C ATOM 97 CG LEU A 7 28.647 -16.108 -10.573 1.00 0.00 C ATOM 98 CD1 LEU A 7 29.002 -16.155 -9.086 1.00 0.00 C ATOM 99 CD2 LEU A 7 27.142 -16.326 -10.741 1.00 0.00 C ATOM 0 H LEU A 7 26.589 -14.186 -11.310 1.00 0.00 H new ATOM 0 HA LEU A 7 28.553 -13.895 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 7 28.686 -14.654 -12.172 1.00 0.00 H new ATOM 0 HB3 LEU A 7 30.109 -14.622 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 7 29.192 -16.888 -11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 7 28.734 -17.130 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 7 30.073 -15.992 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 7 28.453 -15.377 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.868 -17.301 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.599 -15.547 -10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 7 26.884 -16.286 -11.799 1.00 0.00 H new HETATM 111 N NLE A 8 28.287 -11.480 -11.274 1.00 0.00 N HETATM 112 CA NLE A 8 28.791 -10.120 -11.604 1.00 0.00 C HETATM 113 C NLE A 8 28.372 -9.177 -10.480 1.00 0.00 C HETATM 114 O NLE A 8 28.980 -8.152 -10.244 1.00 0.00 O HETATM 115 CB NLE A 8 28.166 -9.648 -12.920 1.00 0.00 C HETATM 116 CG NLE A 8 28.693 -10.503 -14.073 1.00 0.00 C HETATM 117 CD NLE A 8 29.649 -9.670 -14.929 1.00 0.00 C HETATM 118 CE NLE A 8 28.846 -8.857 -15.946 1.00 0.00 C HETATM 0 HG3 NLE A 8 29.208 -11.381 -13.683 1.00 0.00 H new HETATM 0 HG2 NLE A 8 27.864 -10.864 -14.681 1.00 0.00 H new HETATM 0 HE3 NLE A 8 28.280 -9.533 -16.587 1.00 0.00 H new HETATM 0 HE2 NLE A 8 28.158 -8.194 -15.421 1.00 0.00 H new HETATM 0 HE1 NLE A 8 29.527 -8.263 -16.556 1.00 0.00 H new HETATM 0 HD3 NLE A 8 30.234 -9.004 -14.296 1.00 0.00 H new HETATM 0 HD2 NLE A 8 30.355 -10.322 -15.444 1.00 0.00 H new HETATM 0 HB3 NLE A 8 27.080 -9.722 -12.866 1.00 0.00 H new HETATM 0 HB2 NLE A 8 28.406 -8.599 -13.093 1.00 0.00 H new HETATM 0 HA NLE A 8 29.876 -10.133 -11.709 1.00 0.00 H new ATOM 130 N HIS A 9 27.324 -9.531 -9.788 1.00 0.00 N ATOM 131 CA HIS A 9 26.828 -8.684 -8.673 1.00 0.00 C ATOM 132 C HIS A 9 27.753 -8.843 -7.459 1.00 0.00 C ATOM 133 O HIS A 9 27.642 -8.127 -6.483 1.00 0.00 O ATOM 134 CB HIS A 9 25.383 -9.112 -8.333 1.00 0.00 C ATOM 135 CG HIS A 9 25.350 -10.013 -7.120 1.00 0.00 C ATOM 136 ND1 HIS A 9 25.118 -11.360 -6.978 1.00 0.00 N flip ATOM 137 CD2 HIS A 9 25.572 -9.531 -5.839 1.00 0.00 C flip ATOM 138 CE1 HIS A 9 25.194 -11.709 -5.633 1.00 0.00 C flip ATOM 139 NE2 HIS A 9 25.470 -10.570 -4.991 1.00 0.00 N flip ATOM 0 H HIS A 9 26.786 -10.382 -9.952 1.00 0.00 H new ATOM 0 HA HIS A 9 26.826 -7.633 -8.961 1.00 0.00 H new ATOM 0 HB2 HIS A 9 24.773 -8.228 -8.149 1.00 0.00 H new ATOM 0 HB3 HIS A 9 24.944 -9.630 -9.186 1.00 0.00 H new ATOM 0 HD2 HIS A 9 25.788 -8.507 -5.571 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.059 -12.690 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 9 25.589 -10.497 -3.981 1.00 0.00 H new ATOM 147 N ASN A 10 28.658 -9.781 -7.510 1.00 0.00 N ATOM 148 CA ASN A 10 29.581 -9.990 -6.360 1.00 0.00 C ATOM 149 C ASN A 10 30.557 -8.817 -6.264 1.00 0.00 C ATOM 150 O ASN A 10 30.663 -8.169 -5.242 1.00 0.00 O ATOM 151 CB ASN A 10 30.364 -11.289 -6.566 1.00 0.00 C ATOM 152 CG ASN A 10 29.500 -12.480 -6.147 1.00 0.00 C ATOM 153 OD1 ASN A 10 28.228 -12.485 -6.441 1.00 0.00 O flip ATOM 154 ND2 ASN A 10 29.988 -13.416 -5.546 1.00 0.00 N flip ATOM 0 H ASN A 10 28.798 -10.412 -8.299 1.00 0.00 H new ATOM 0 HA ASN A 10 29.002 -10.054 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 10 30.655 -11.388 -7.612 1.00 0.00 H new ATOM 0 HB3 ASN A 10 31.283 -11.269 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 10 30.982 -13.412 -5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 10 29.404 -14.206 -5.271 1.00 0.00 H new ATOM 161 N LEU A 11 31.275 -8.541 -7.317 1.00 0.00 N ATOM 162 CA LEU A 11 32.246 -7.412 -7.280 1.00 0.00 C ATOM 163 C LEU A 11 31.969 -6.456 -8.441 1.00 0.00 C ATOM 164 O LEU A 11 32.577 -6.545 -9.489 1.00 0.00 O ATOM 165 CB LEU A 11 33.668 -7.962 -7.402 1.00 0.00 C ATOM 166 CG LEU A 11 34.554 -7.321 -6.334 1.00 0.00 C ATOM 167 CD1 LEU A 11 34.056 -7.726 -4.946 1.00 0.00 C ATOM 168 CD2 LEU A 11 35.996 -7.798 -6.515 1.00 0.00 C ATOM 0 H LEU A 11 31.231 -9.048 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 11 32.140 -6.875 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 11 33.662 -9.045 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 11 34.067 -7.753 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 11 34.513 -6.236 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 11 34.688 -7.269 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 11 33.028 -7.388 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 11 34.096 -8.811 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 11 36.629 -7.341 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 11 36.035 -8.883 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 11 36.353 -7.510 -7.504 1.00 0.00 H new ATOM 180 N GLY A 12 31.058 -5.541 -8.262 1.00 0.00 N ATOM 181 CA GLY A 12 30.744 -4.579 -9.357 1.00 0.00 C ATOM 182 C GLY A 12 29.249 -4.636 -9.669 1.00 0.00 C ATOM 183 O GLY A 12 28.834 -5.201 -10.662 1.00 0.00 O ATOM 0 H GLY A 12 30.517 -5.417 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 12 31.027 -3.569 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 12 31.322 -4.824 -10.248 1.00 0.00 H new HETATM 187 N ORN A 13 28.435 -4.056 -8.830 1.00 0.00 N HETATM 188 CA ORN A 13 26.967 -4.083 -9.087 1.00 0.00 C HETATM 189 CB ORN A 13 26.263 -4.965 -8.046 1.00 0.00 C HETATM 190 CG ORN A 13 26.884 -4.765 -6.658 1.00 0.00 C HETATM 191 CD ORN A 13 25.785 -4.382 -5.664 1.00 0.00 C HETATM 192 NE ORN A 13 26.292 -3.345 -4.720 1.00 0.00 N HETATM 193 C ORN A 13 26.398 -2.665 -9.023 1.00 0.00 C HETATM 194 O ORN A 13 25.717 -2.223 -9.927 1.00 0.00 O HETATM 0 HG3 ORN A 13 27.381 -5.679 -6.334 1.00 0.00 H new HETATM 0 HG2 ORN A 13 27.644 -3.985 -6.696 1.00 0.00 H new HETATM 0 HE1 ORN A 13 27.249 -3.003 -4.805 1.00 0.00 H new HETATM 0 HD3 ORN A 13 24.914 -4.004 -6.200 1.00 0.00 H new HETATM 0 HD2 ORN A 13 25.461 -5.263 -5.110 1.00 0.00 H new HETATM 0 HB3 ORN A 13 25.201 -4.721 -8.014 1.00 0.00 H new HETATM 0 HB2 ORN A 13 26.341 -6.013 -8.337 1.00 0.00 H new HETATM 0 HA ORN A 13 26.795 -4.496 -10.081 1.00 0.00 H new ATOM 204 N HIS A 14 26.669 -1.948 -7.968 1.00 0.00 N ATOM 205 CA HIS A 14 26.139 -0.564 -7.850 1.00 0.00 C ATOM 206 C HIS A 14 26.909 0.178 -6.758 1.00 0.00 C ATOM 207 O HIS A 14 26.963 -0.253 -5.623 1.00 0.00 O ATOM 208 CB HIS A 14 24.655 -0.614 -7.476 1.00 0.00 C ATOM 209 CG HIS A 14 23.843 -1.029 -8.673 1.00 0.00 C ATOM 210 ND1 HIS A 14 23.719 -0.488 -9.928 1.00 0.00 N flip ATOM 211 CD2 HIS A 14 23.020 -2.145 -8.659 1.00 0.00 C flip ATOM 212 CE1 HIS A 14 22.834 -1.252 -10.682 1.00 0.00 C flip ATOM 213 NE2 HIS A 14 22.443 -2.237 -9.870 1.00 0.00 N flip ATOM 0 H HIS A 14 27.236 -2.263 -7.181 1.00 0.00 H new ATOM 0 HA HIS A 14 26.257 -0.046 -8.802 1.00 0.00 H new ATOM 0 HB2 HIS A 14 24.500 -1.317 -6.658 1.00 0.00 H new ATOM 0 HB3 HIS A 14 24.326 0.363 -7.123 1.00 0.00 H new ATOM 0 HD2 HIS A 14 22.870 -2.817 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 14 22.529 -1.084 -11.704 1.00 0.00 H new ATOM 0 HE2 HIS A 14 21.786 -2.971 -10.136 1.00 0.00 H new ATOM 221 N LEU A 15 27.499 1.294 -7.086 1.00 0.00 N ATOM 222 CA LEU A 15 28.256 2.061 -6.055 1.00 0.00 C ATOM 223 C LEU A 15 27.280 2.799 -5.145 1.00 0.00 C ATOM 224 O LEU A 15 27.667 3.505 -4.235 1.00 0.00 O ATOM 225 CB LEU A 15 29.183 3.062 -6.740 1.00 0.00 C ATOM 226 CG LEU A 15 29.947 2.355 -7.856 1.00 0.00 C ATOM 227 CD1 LEU A 15 30.799 3.371 -8.614 1.00 0.00 C ATOM 228 CD2 LEU A 15 30.850 1.281 -7.245 1.00 0.00 C ATOM 0 H LEU A 15 27.491 1.707 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 15 28.852 1.372 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 28.605 3.891 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.880 3.484 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 15 29.243 1.891 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.345 2.866 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.154 4.137 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 15 31.507 3.836 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.398 0.772 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 15 31.556 1.747 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.240 0.557 -6.704 1.00 0.00 H new ATOM 240 N ASN A 16 26.019 2.624 -5.380 1.00 0.00 N ATOM 241 CA ASN A 16 24.994 3.291 -4.533 1.00 0.00 C ATOM 242 C ASN A 16 24.898 2.545 -3.202 1.00 0.00 C ATOM 243 O ASN A 16 24.497 3.093 -2.195 1.00 0.00 O ATOM 244 CB ASN A 16 23.641 3.252 -5.246 1.00 0.00 C ATOM 245 CG ASN A 16 22.702 4.283 -4.619 1.00 0.00 C ATOM 246 OD1 ASN A 16 22.692 5.432 -5.013 1.00 0.00 O ATOM 247 ND2 ASN A 16 21.906 3.918 -3.652 1.00 0.00 N ATOM 0 H ASN A 16 25.646 2.042 -6.130 1.00 0.00 H new ATOM 0 HA ASN A 16 25.273 4.330 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 16 23.772 3.462 -6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 16 23.207 2.255 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 16 21.275 4.597 -3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 16 21.914 2.953 -3.321 1.00 0.00 H new ATOM 254 N GLU A 17 25.271 1.293 -3.194 1.00 0.00 N ATOM 255 CA GLU A 17 25.214 0.502 -1.935 1.00 0.00 C ATOM 256 C GLU A 17 26.575 0.567 -1.236 1.00 0.00 C ATOM 257 O GLU A 17 26.739 0.092 -0.129 1.00 0.00 O ATOM 258 CB GLU A 17 24.875 -0.955 -2.260 1.00 0.00 C ATOM 259 CG GLU A 17 26.017 -1.586 -3.063 1.00 0.00 C ATOM 260 CD GLU A 17 25.447 -2.636 -4.020 1.00 0.00 C ATOM 261 OE1 GLU A 17 24.248 -2.804 -4.125 1.00 0.00 O ATOM 0 H GLU A 17 25.614 0.784 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 17 24.446 0.913 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.713 -1.515 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 17 23.947 -1.004 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 17 26.549 -0.818 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 17 26.739 -2.047 -2.389 1.00 0.00 H new HETATM 268 N NLE A 18 27.555 1.150 -1.876 1.00 0.00 N HETATM 269 CA NLE A 18 28.904 1.242 -1.250 1.00 0.00 C HETATM 270 C NLE A 18 29.359 2.700 -1.227 1.00 0.00 C HETATM 271 O NLE A 18 30.532 2.994 -1.105 1.00 0.00 O HETATM 272 CB NLE A 18 29.898 0.411 -2.064 1.00 0.00 C HETATM 273 CG NLE A 18 30.779 -0.410 -1.122 1.00 0.00 C HETATM 274 CD NLE A 18 31.538 -1.463 -1.933 1.00 0.00 C HETATM 275 CE NLE A 18 32.396 -0.769 -2.993 1.00 0.00 C HETATM 0 HG3 NLE A 18 31.481 0.241 -0.602 1.00 0.00 H new HETATM 0 HG2 NLE A 18 30.167 -0.892 -0.360 1.00 0.00 H new HETATM 0 HE3 NLE A 18 31.755 -0.191 -3.658 1.00 0.00 H new HETATM 0 HE2 NLE A 18 33.108 -0.103 -2.506 1.00 0.00 H new HETATM 0 HE1 NLE A 18 32.937 -1.518 -3.571 1.00 0.00 H new HETATM 0 HD3 NLE A 18 32.168 -2.061 -1.274 1.00 0.00 H new HETATM 0 HD2 NLE A 18 30.835 -2.147 -2.409 1.00 0.00 H new HETATM 0 HB3 NLE A 18 29.362 -0.251 -2.744 1.00 0.00 H new HETATM 0 HB2 NLE A 18 30.517 1.066 -2.678 1.00 0.00 H new HETATM 0 HA NLE A 18 28.858 0.861 -0.230 1.00 0.00 H new ATOM 287 N GLU A 19 28.441 3.615 -1.337 1.00 0.00 N ATOM 288 CA GLU A 19 28.819 5.055 -1.314 1.00 0.00 C ATOM 289 C GLU A 19 28.760 5.564 0.125 1.00 0.00 C ATOM 290 O GLU A 19 29.249 6.630 0.440 1.00 0.00 O ATOM 291 CB GLU A 19 27.845 5.857 -2.179 1.00 0.00 C ATOM 292 CG GLU A 19 28.406 7.262 -2.411 1.00 0.00 C ATOM 293 CD GLU A 19 27.432 8.066 -3.275 1.00 0.00 C ATOM 294 OE1 GLU A 19 26.556 8.699 -2.710 1.00 0.00 O ATOM 295 OE2 GLU A 19 27.580 8.034 -4.486 1.00 0.00 O ATOM 0 H GLU A 19 27.444 3.429 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 19 29.829 5.174 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 19 27.690 5.354 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 19 26.873 5.918 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 19 28.562 7.765 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 19 29.378 7.200 -2.901 1.00 0.00 H new ATOM 302 N ARG A 20 28.156 4.807 1.001 1.00 0.00 N ATOM 303 CA ARG A 20 28.056 5.244 2.420 1.00 0.00 C ATOM 304 C ARG A 20 29.261 4.737 3.200 1.00 0.00 C ATOM 305 O ARG A 20 29.945 5.510 3.810 1.00 0.00 O ATOM 306 CB ARG A 20 26.747 4.721 3.021 1.00 0.00 C ATOM 307 CG ARG A 20 26.861 3.222 3.304 1.00 0.00 C ATOM 308 CD ARG A 20 25.475 2.650 3.614 1.00 0.00 C ATOM 309 NE ARG A 20 24.752 3.556 4.552 1.00 0.00 N ATOM 310 CZ ARG A 20 23.791 3.085 5.298 1.00 0.00 C ATOM 311 NH1 ARG A 20 22.987 2.173 4.825 1.00 0.00 N ATOM 312 NH2 ARG A 20 23.633 3.526 6.516 1.00 0.00 N ATOM 0 H ARG A 20 27.728 3.905 0.794 1.00 0.00 H new ATOM 0 HA ARG A 20 28.051 6.333 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 20 26.521 5.257 3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 20 25.922 4.908 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 20 27.292 2.711 2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 20 27.533 3.051 4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.904 2.536 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 20 25.571 1.658 4.054 1.00 0.00 H new ATOM 0 HE ARG A 20 25.008 4.542 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.110 1.829 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.235 1.804 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.261 4.240 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.881 3.157 7.098 1.00 0.00 H new ATOM 326 N VAL A 21 29.587 3.472 3.168 1.00 0.00 N ATOM 327 CA VAL A 21 30.811 3.046 3.916 1.00 0.00 C ATOM 328 C VAL A 21 31.912 4.054 3.574 1.00 0.00 C ATOM 329 O VAL A 21 32.801 4.330 4.355 1.00 0.00 O ATOM 330 CB VAL A 21 31.225 1.635 3.494 1.00 0.00 C ATOM 331 CG1 VAL A 21 31.420 1.595 1.978 1.00 0.00 C ATOM 332 CG2 VAL A 21 32.537 1.257 4.187 1.00 0.00 C ATOM 0 H VAL A 21 29.081 2.736 2.676 1.00 0.00 H new ATOM 0 HA VAL A 21 30.627 3.024 4.990 1.00 0.00 H new ATOM 0 HB VAL A 21 30.447 0.927 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 31.715 0.590 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 21 30.486 1.863 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 21 32.198 2.303 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 21 32.831 0.252 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 21 33.316 1.964 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 21 32.399 1.286 5.268 1.00 0.00 H new ATOM 342 N GLU A 22 31.792 4.654 2.418 1.00 0.00 N ATOM 343 CA GLU A 22 32.741 5.709 1.995 1.00 0.00 C ATOM 344 C GLU A 22 32.537 6.909 2.906 1.00 0.00 C ATOM 345 O GLU A 22 33.373 7.274 3.707 1.00 0.00 O ATOM 346 CB GLU A 22 32.387 6.130 0.549 1.00 0.00 C ATOM 347 CG GLU A 22 32.454 7.667 0.374 1.00 0.00 C ATOM 348 CD GLU A 22 32.855 8.006 -1.063 1.00 0.00 C ATOM 349 OE1 GLU A 22 32.478 7.263 -1.954 1.00 0.00 O ATOM 350 OE2 GLU A 22 33.533 9.004 -1.248 1.00 0.00 O ATOM 0 H GLU A 22 31.058 4.448 1.740 1.00 0.00 H new ATOM 0 HA GLU A 22 33.769 5.352 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 22 33.075 5.653 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 22 31.386 5.778 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 22 31.486 8.112 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 22 33.175 8.091 1.073 1.00 0.00 H new ATOM 357 N TRP A 23 31.414 7.533 2.729 1.00 0.00 N ATOM 358 CA TRP A 23 31.083 8.737 3.499 1.00 0.00 C ATOM 359 C TRP A 23 31.039 8.371 4.967 1.00 0.00 C ATOM 360 O TRP A 23 31.737 8.937 5.780 1.00 0.00 O ATOM 361 CB TRP A 23 29.751 9.288 2.940 1.00 0.00 C ATOM 362 CG TRP A 23 28.527 8.881 3.711 1.00 0.00 C ATOM 363 CD1 TRP A 23 27.447 8.284 3.172 1.00 0.00 C ATOM 364 CD2 TRP A 23 28.209 9.093 5.102 1.00 0.00 C ATOM 365 NE1 TRP A 23 26.485 8.115 4.154 1.00 0.00 N ATOM 366 CE2 TRP A 23 26.913 8.606 5.367 1.00 0.00 C ATOM 367 CE3 TRP A 23 28.926 9.651 6.135 1.00 0.00 C ATOM 368 CZ2 TRP A 23 26.350 8.690 6.641 1.00 0.00 C ATOM 369 CZ3 TRP A 23 28.381 9.745 7.425 1.00 0.00 C ATOM 370 CH2 TRP A 23 27.088 9.268 7.678 1.00 0.00 C ATOM 0 H TRP A 23 30.697 7.245 2.063 1.00 0.00 H new ATOM 0 HA TRP A 23 31.828 9.528 3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 23 29.805 10.376 2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 23 29.641 8.954 1.908 1.00 0.00 H new ATOM 0 HD1 TRP A 23 27.347 7.985 2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 23 25.575 7.682 3.998 1.00 0.00 H new ATOM 0 HE3 TRP A 23 29.923 10.022 5.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 25.355 8.313 6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 28.959 10.186 8.224 1.00 0.00 H new ATOM 0 HH2 TRP A 23 26.664 9.346 8.668 1.00 0.00 H new ATOM 381 N LEU A 24 30.238 7.431 5.314 1.00 0.00 N ATOM 382 CA LEU A 24 30.151 7.003 6.726 1.00 0.00 C ATOM 383 C LEU A 24 31.561 6.841 7.311 1.00 0.00 C ATOM 384 O LEU A 24 31.811 7.204 8.442 1.00 0.00 O ATOM 385 CB LEU A 24 29.424 5.669 6.772 1.00 0.00 C ATOM 386 CG LEU A 24 27.994 5.896 7.247 1.00 0.00 C ATOM 387 CD1 LEU A 24 27.065 5.894 6.037 1.00 0.00 C ATOM 388 CD2 LEU A 24 27.589 4.776 8.199 1.00 0.00 C ATOM 0 H LEU A 24 29.625 6.927 4.673 1.00 0.00 H new ATOM 0 HA LEU A 24 29.614 7.749 7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 24 29.423 5.207 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 24 29.939 4.983 7.445 1.00 0.00 H new ATOM 0 HG LEU A 24 27.925 6.852 7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.039 6.056 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 24 27.357 6.691 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 24 27.135 4.934 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.566 4.939 8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 24 27.652 3.819 7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 28.260 4.769 9.058 1.00 0.00 H new ATOM 400 N ARG A 25 32.481 6.296 6.550 1.00 0.00 N ATOM 401 CA ARG A 25 33.874 6.110 7.067 1.00 0.00 C ATOM 402 C ARG A 25 34.287 7.344 7.868 1.00 0.00 C ATOM 403 O ARG A 25 34.816 7.243 8.958 1.00 0.00 O ATOM 404 CB ARG A 25 34.840 5.928 5.897 1.00 0.00 C ATOM 405 CG ARG A 25 36.267 5.829 6.438 1.00 0.00 C ATOM 406 CD ARG A 25 36.413 4.540 7.246 1.00 0.00 C ATOM 407 NE ARG A 25 36.397 3.375 6.320 1.00 0.00 N ATOM 408 CZ ARG A 25 37.521 2.872 5.891 1.00 0.00 C ATOM 409 NH1 ARG A 25 38.238 2.118 6.677 1.00 0.00 N ATOM 410 NH2 ARG A 25 37.928 3.124 4.677 1.00 0.00 N ATOM 0 H ARG A 25 32.327 5.973 5.595 1.00 0.00 H new ATOM 0 HA ARG A 25 33.904 5.227 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 25 34.587 5.028 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 25 34.757 6.767 5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 25 36.982 5.839 5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 25 36.491 6.692 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 25 37.344 4.556 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 25 35.601 4.456 7.969 1.00 0.00 H new ATOM 0 HE ARG A 25 35.509 2.971 6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 25 37.919 1.922 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 25 39.117 1.724 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 25 37.367 3.715 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 25 38.807 2.730 4.342 1.00 0.00 H new ATOM 424 N LYS A 26 34.039 8.506 7.334 1.00 0.00 N ATOM 425 CA LYS A 26 34.392 9.762 8.050 1.00 0.00 C ATOM 426 C LYS A 26 33.267 10.102 9.034 1.00 0.00 C ATOM 427 O LYS A 26 32.825 11.230 9.121 1.00 0.00 O ATOM 428 CB LYS A 26 34.533 10.897 7.033 1.00 0.00 C ATOM 429 CG LYS A 26 35.950 10.902 6.455 1.00 0.00 C ATOM 430 CD LYS A 26 35.880 11.078 4.936 1.00 0.00 C ATOM 431 CE LYS A 26 36.062 12.556 4.580 1.00 0.00 C ATOM 432 NZ LYS A 26 34.835 13.314 4.956 1.00 0.00 N ATOM 0 H LYS A 26 33.602 8.640 6.422 1.00 0.00 H new ATOM 0 HA LYS A 26 35.331 9.634 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 26 33.804 10.773 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 26 34.322 11.854 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 36.533 11.709 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 26 36.458 9.970 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 26 36.654 10.480 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 26 34.921 10.719 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 26 36.928 12.963 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 26 36.255 12.663 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 34.888 14.276 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 33.997 12.830 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 34.763 13.366 5.992 1.00 0.00 H new ATOM 446 N LYS A 27 32.791 9.129 9.764 1.00 0.00 N ATOM 447 CA LYS A 27 31.687 9.385 10.728 1.00 0.00 C ATOM 448 C LYS A 27 31.904 8.542 11.983 1.00 0.00 C ATOM 449 O LYS A 27 31.813 9.028 13.093 1.00 0.00 O ATOM 450 CB LYS A 27 30.362 8.992 10.076 1.00 0.00 C ATOM 451 CG LYS A 27 29.196 9.460 10.950 1.00 0.00 C ATOM 452 CD LYS A 27 29.397 10.927 11.331 1.00 0.00 C ATOM 453 CE LYS A 27 28.092 11.490 11.897 1.00 0.00 C ATOM 454 NZ LYS A 27 27.049 11.494 10.832 1.00 0.00 N ATOM 0 H LYS A 27 33.122 8.165 9.732 1.00 0.00 H new ATOM 0 HA LYS A 27 31.669 10.440 11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.287 9.438 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.318 7.911 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.255 9.339 10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.132 8.846 11.848 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.194 11.016 12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.705 11.502 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.761 10.888 12.743 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.251 12.502 12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.614 12.437 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.485 11.259 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.319 10.789 11.058 1.00 0.00 H new ATOM 468 N LEU A 28 32.193 7.281 11.818 1.00 0.00 N ATOM 469 CA LEU A 28 32.420 6.411 13.003 1.00 0.00 C ATOM 470 C LEU A 28 33.840 6.636 13.522 1.00 0.00 C ATOM 471 O LEU A 28 34.157 6.324 14.653 1.00 0.00 O ATOM 472 CB LEU A 28 32.248 4.944 12.602 1.00 0.00 C ATOM 473 CG LEU A 28 31.867 4.121 13.834 1.00 0.00 C ATOM 474 CD1 LEU A 28 30.381 3.766 13.771 1.00 0.00 C ATOM 475 CD2 LEU A 28 32.697 2.836 13.864 1.00 0.00 C ATOM 0 H LEU A 28 32.281 6.817 10.914 1.00 0.00 H new ATOM 0 HA LEU A 28 31.700 6.657 13.783 1.00 0.00 H new ATOM 0 HB2 LEU A 28 31.477 4.853 11.837 1.00 0.00 H new ATOM 0 HB3 LEU A 28 33.173 4.563 12.169 1.00 0.00 H new ATOM 0 HG LEU A 28 32.063 4.703 14.735 1.00 0.00 H new ATOM 0 HD11 LEU A 28 30.109 3.180 14.649 1.00 0.00 H new ATOM 0 HD12 LEU A 28 29.789 4.681 13.748 1.00 0.00 H new ATOM 0 HD13 LEU A 28 30.184 3.184 12.871 1.00 0.00 H new ATOM 0 HD21 LEU A 28 32.427 2.249 14.741 1.00 0.00 H new ATOM 0 HD22 LEU A 28 32.500 2.255 12.963 1.00 0.00 H new ATOM 0 HD23 LEU A 28 33.756 3.088 13.909 1.00 0.00 H new ATOM 487 N GLN A 29 34.698 7.177 12.700 1.00 0.00 N ATOM 488 CA GLN A 29 36.100 7.425 13.138 1.00 0.00 C ATOM 489 C GLN A 29 36.156 8.686 14.004 1.00 0.00 C ATOM 490 O GLN A 29 37.092 8.896 14.750 1.00 0.00 O ATOM 491 CB GLN A 29 36.991 7.612 11.908 1.00 0.00 C ATOM 492 CG GLN A 29 38.458 7.626 12.340 1.00 0.00 C ATOM 493 CD GLN A 29 39.330 7.087 11.206 1.00 0.00 C ATOM 494 OE1 GLN A 29 38.930 7.096 10.059 1.00 0.00 O ATOM 495 NE2 GLN A 29 40.515 6.613 11.480 1.00 0.00 N ATOM 0 H GLN A 29 34.487 7.458 11.742 1.00 0.00 H new ATOM 0 HA GLN A 29 36.452 6.573 13.720 1.00 0.00 H new ATOM 0 HB2 GLN A 29 36.818 6.806 11.195 1.00 0.00 H new ATOM 0 HB3 GLN A 29 36.741 8.545 11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 29 38.763 8.641 12.596 1.00 0.00 H new ATOM 0 HG3 GLN A 29 38.590 7.018 13.235 1.00 0.00 H new ATOM 0 HE21 GLN A 29 40.851 6.605 12.443 1.00 0.00 H new ATOM 0 HE22 GLN A 29 41.105 6.250 10.731 1.00 0.00 H new ATOM 504 N ASP A 30 35.162 9.527 13.914 1.00 0.00 N ATOM 505 CA ASP A 30 35.162 10.771 14.736 1.00 0.00 C ATOM 506 C ASP A 30 33.785 10.957 15.374 1.00 0.00 C ATOM 507 O ASP A 30 33.234 12.040 15.383 1.00 0.00 O ATOM 508 CB ASP A 30 35.480 11.974 13.845 1.00 0.00 C ATOM 509 CG ASP A 30 36.423 12.924 14.586 1.00 0.00 C ATOM 510 OD1 ASP A 30 37.471 12.470 15.017 1.00 0.00 O ATOM 511 OD2 ASP A 30 36.082 14.088 14.712 1.00 0.00 O ATOM 0 H ASP A 30 34.351 9.407 13.308 1.00 0.00 H new ATOM 0 HA ASP A 30 35.918 10.691 15.517 1.00 0.00 H new ATOM 0 HB2 ASP A 30 35.940 11.640 12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 30 34.560 12.494 13.576 1.00 0.00 H new ATOM 516 N VAL A 31 33.224 9.906 15.906 1.00 0.00 N ATOM 517 CA VAL A 31 31.881 10.018 16.542 1.00 0.00 C ATOM 518 C VAL A 31 32.042 10.335 18.030 1.00 0.00 C ATOM 519 O VAL A 31 31.593 9.597 18.885 1.00 0.00 O ATOM 520 CB VAL A 31 31.135 8.695 16.385 1.00 0.00 C ATOM 521 CG1 VAL A 31 31.843 7.615 17.203 1.00 0.00 C ATOM 522 CG2 VAL A 31 29.700 8.860 16.889 1.00 0.00 C ATOM 0 H VAL A 31 33.638 8.974 15.928 1.00 0.00 H new ATOM 0 HA VAL A 31 31.318 10.817 16.060 1.00 0.00 H new ATOM 0 HB VAL A 31 31.120 8.404 15.335 1.00 0.00 H new ATOM 0 HG11 VAL A 31 31.313 6.669 17.093 1.00 0.00 H new ATOM 0 HG12 VAL A 31 32.867 7.501 16.846 1.00 0.00 H new ATOM 0 HG13 VAL A 31 31.855 7.904 18.254 1.00 0.00 H new ATOM 0 HG21 VAL A 31 29.165 7.917 16.778 1.00 0.00 H new ATOM 0 HG22 VAL A 31 29.714 9.148 17.940 1.00 0.00 H new ATOM 0 HG23 VAL A 31 29.197 9.633 16.308 1.00 0.00 H new ATOM 532 N HIS A 32 32.679 11.427 18.345 1.00 0.00 N ATOM 533 CA HIS A 32 32.870 11.796 19.776 1.00 0.00 C ATOM 534 C HIS A 32 33.675 13.095 19.865 1.00 0.00 C ATOM 535 O HIS A 32 33.432 13.929 20.715 1.00 0.00 O ATOM 536 CB HIS A 32 33.624 10.676 20.497 1.00 0.00 C ATOM 537 CG HIS A 32 33.049 10.493 21.874 1.00 0.00 C ATOM 538 ND1 HIS A 32 33.123 9.286 22.553 1.00 0.00 N ATOM 539 CD2 HIS A 32 32.384 11.354 22.712 1.00 0.00 C ATOM 540 CE1 HIS A 32 32.518 9.453 23.743 1.00 0.00 C ATOM 541 NE2 HIS A 32 32.050 10.695 23.892 1.00 0.00 N ATOM 0 H HIS A 32 33.077 12.082 17.672 1.00 0.00 H new ATOM 0 HA HIS A 32 31.897 11.939 20.247 1.00 0.00 H new ATOM 0 HB2 HIS A 32 33.546 9.747 19.932 1.00 0.00 H new ATOM 0 HB3 HIS A 32 34.684 10.920 20.563 1.00 0.00 H new ATOM 0 HD2 HIS A 32 32.155 12.386 22.489 1.00 0.00 H new ATOM 0 HE1 HIS A 32 32.422 8.677 24.488 1.00 0.00 H new ATOM 0 HE2 HIS A 32 31.555 11.078 24.697 1.00 0.00 H new ATOM 549 N ASN A 33 34.630 13.273 18.994 1.00 0.00 N ATOM 550 CA ASN A 33 35.448 14.519 19.029 1.00 0.00 C ATOM 551 C ASN A 33 36.349 14.505 20.265 1.00 0.00 C ATOM 552 O ASN A 33 35.946 14.893 21.343 1.00 0.00 O ATOM 553 CB ASN A 33 34.522 15.736 19.084 1.00 0.00 C ATOM 554 CG ASN A 33 33.399 15.570 18.059 1.00 0.00 C ATOM 555 OD1 ASN A 33 32.502 14.772 18.247 1.00 0.00 O ATOM 556 ND2 ASN A 33 33.411 16.294 16.973 1.00 0.00 N ATOM 0 H ASN A 33 34.879 12.610 18.260 1.00 0.00 H new ATOM 0 HA ASN A 33 36.065 14.573 18.132 1.00 0.00 H new ATOM 0 HB2 ASN A 33 34.103 15.842 20.084 1.00 0.00 H new ATOM 0 HB3 ASN A 33 35.086 16.645 18.877 1.00 0.00 H new ATOM 0 HD21 ASN A 33 32.668 16.190 16.282 1.00 0.00 H new ATOM 0 HD22 ASN A 33 34.164 16.964 16.815 1.00 0.00 H new ATOM 563 N PHE A 34 37.566 14.062 20.115 1.00 0.00 N ATOM 564 CA PHE A 34 38.496 14.023 21.279 1.00 0.00 C ATOM 565 C PHE A 34 38.969 15.441 21.602 1.00 0.00 C ATOM 566 O PHE A 34 38.928 16.275 20.713 1.00 0.00 O ATOM 567 CB PHE A 34 39.703 13.149 20.932 1.00 0.00 C ATOM 568 CG PHE A 34 39.227 11.865 20.297 1.00 0.00 C ATOM 569 CD1 PHE A 34 38.442 10.968 21.033 1.00 0.00 C ATOM 570 CD2 PHE A 34 39.570 11.571 18.973 1.00 0.00 C ATOM 571 CE1 PHE A 34 38.001 9.778 20.443 1.00 0.00 C ATOM 572 CE2 PHE A 34 39.128 10.380 18.383 1.00 0.00 C ATOM 573 CZ PHE A 34 38.344 9.484 19.118 1.00 0.00 C ATOM 574 OXT PHE A 34 39.365 15.669 22.734 1.00 0.00 O ATOM 0 H PHE A 34 37.958 13.725 19.236 1.00 0.00 H new ATOM 0 HA PHE A 34 37.981 13.608 22.145 1.00 0.00 H new ATOM 0 HB2 PHE A 34 40.367 13.681 20.250 1.00 0.00 H new ATOM 0 HB3 PHE A 34 40.279 12.931 21.832 1.00 0.00 H new ATOM 0 HD1 PHE A 34 38.177 11.195 22.055 1.00 0.00 H new ATOM 0 HD2 PHE A 34 40.176 12.262 18.406 1.00 0.00 H new ATOM 0 HE1 PHE A 34 37.396 9.086 21.010 1.00 0.00 H new ATOM 0 HE2 PHE A 34 39.392 10.153 17.361 1.00 0.00 H new ATOM 0 HZ PHE A 34 38.003 8.566 18.663 1.00 0.00 H new TER 584 PHE A 34