USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=3 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 Set 1.1: A 9 HIS : no HD1:sc= -4.94! K(o=-9.3!,f=-8.6) USER MOD Set 1.2: A 10 ASN : amide:sc= -4.4! K(o=-9.3!,f=-8) USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 GLN : amide:sc=-0.00601 K(o=-0.006,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.0336 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 14 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=-0.0038) USER MOD Single : A 16 ASN : amide:sc= -5.73! K(o=-5.7!,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 24.687 17.855 -13.654 1.00 0.00 N ATOM 2 CA SER A 1 23.303 17.329 -13.819 1.00 0.00 C ATOM 3 C SER A 1 23.222 15.915 -13.241 1.00 0.00 C ATOM 4 O SER A 1 22.781 14.991 -13.896 1.00 0.00 O ATOM 5 CB SER A 1 22.944 17.292 -15.304 1.00 0.00 C ATOM 6 OG SER A 1 23.128 18.585 -15.864 1.00 0.00 O ATOM 0 H1 SER A 1 24.901 18.518 -14.426 1.00 0.00 H new ATOM 0 H2 SER A 1 24.764 18.349 -12.742 1.00 0.00 H new ATOM 0 H3 SER A 1 25.364 17.066 -13.679 1.00 0.00 H new ATOM 0 HA SER A 1 22.604 17.978 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.570 16.566 -15.823 1.00 0.00 H new ATOM 0 HB3 SER A 1 21.910 16.971 -15.432 1.00 0.00 H new ATOM 0 HG SER A 1 22.900 18.564 -16.817 1.00 0.00 H new ATOM 14 N VAL A 2 23.646 15.736 -12.020 1.00 0.00 N ATOM 15 CA VAL A 2 23.592 14.379 -11.406 1.00 0.00 C ATOM 16 C VAL A 2 22.841 14.448 -10.073 1.00 0.00 C ATOM 17 O VAL A 2 23.136 15.265 -9.224 1.00 0.00 O ATOM 18 CB VAL A 2 25.014 13.869 -11.165 1.00 0.00 C ATOM 19 CG1 VAL A 2 25.686 13.577 -12.509 1.00 0.00 C ATOM 20 CG2 VAL A 2 25.818 14.934 -10.416 1.00 0.00 C ATOM 0 H VAL A 2 24.027 16.469 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 2 23.072 13.698 -12.080 1.00 0.00 H new ATOM 0 HB VAL A 2 24.976 12.956 -10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 2 26.699 13.214 -12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 2 25.114 12.819 -13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 2 25.724 14.490 -13.103 1.00 0.00 H new ATOM 0 HG21 VAL A 2 26.831 14.571 -10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 2 25.856 15.847 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 2 25.341 15.144 -9.459 1.00 0.00 H new ATOM 30 N SER A 3 21.873 13.593 -9.886 1.00 0.00 N ATOM 31 CA SER A 3 21.101 13.602 -8.611 1.00 0.00 C ATOM 32 C SER A 3 21.739 12.621 -7.627 1.00 0.00 C ATOM 33 O SER A 3 21.095 12.118 -6.727 1.00 0.00 O ATOM 34 CB SER A 3 19.662 13.173 -8.890 1.00 0.00 C ATOM 35 OG SER A 3 18.768 14.144 -8.363 1.00 0.00 O ATOM 0 H SER A 3 21.583 12.887 -10.563 1.00 0.00 H new ATOM 0 HA SER A 3 21.109 14.605 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.505 13.063 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.467 12.200 -8.438 1.00 0.00 H new ATOM 0 HG SER A 3 17.844 13.870 -8.543 1.00 0.00 H new ATOM 41 N GLU A 4 22.998 12.341 -7.799 1.00 0.00 N ATOM 42 CA GLU A 4 23.690 11.386 -6.887 1.00 0.00 C ATOM 43 C GLU A 4 23.694 11.935 -5.457 1.00 0.00 C ATOM 44 O GLU A 4 23.576 11.195 -4.500 1.00 0.00 O ATOM 45 CB GLU A 4 25.131 11.189 -7.359 1.00 0.00 C ATOM 46 CG GLU A 4 25.846 10.207 -6.429 1.00 0.00 C ATOM 47 CD GLU A 4 27.347 10.229 -6.719 1.00 0.00 C ATOM 48 OE1 GLU A 4 27.834 11.267 -7.139 1.00 0.00 O ATOM 49 OE2 GLU A 4 27.985 9.209 -6.518 1.00 0.00 O ATOM 0 H GLU A 4 23.583 12.734 -8.536 1.00 0.00 H new ATOM 0 HA GLU A 4 23.163 10.432 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 4 25.141 10.810 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 4 25.655 12.145 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.662 10.476 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.452 9.201 -6.573 1.00 0.00 H new ATOM 56 N ILE A 5 23.836 13.223 -5.299 1.00 0.00 N ATOM 57 CA ILE A 5 23.855 13.804 -3.926 1.00 0.00 C ATOM 58 C ILE A 5 22.432 14.154 -3.495 1.00 0.00 C ATOM 59 O ILE A 5 22.217 14.970 -2.621 1.00 0.00 O ATOM 60 CB ILE A 5 24.719 15.064 -3.915 1.00 0.00 C ATOM 61 CG1 ILE A 5 26.156 14.694 -4.287 1.00 0.00 C ATOM 62 CG2 ILE A 5 24.699 15.686 -2.518 1.00 0.00 C ATOM 63 CD1 ILE A 5 26.812 15.864 -5.022 1.00 0.00 C ATOM 0 H ILE A 5 23.939 13.896 -6.058 1.00 0.00 H new ATOM 0 HA ILE A 5 24.271 13.074 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 5 24.327 15.781 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 5 26.724 14.451 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 5 26.162 13.805 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.316 16.585 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 5 23.675 15.946 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 5 25.092 14.971 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 5 27.836 15.599 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 5 26.249 16.086 -5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 5 26.820 16.742 -4.375 1.00 0.00 H new ATOM 75 N GLN A 6 21.459 13.533 -4.095 1.00 0.00 N ATOM 76 CA GLN A 6 20.046 13.814 -3.718 1.00 0.00 C ATOM 77 C GLN A 6 19.419 12.531 -3.177 1.00 0.00 C ATOM 78 O GLN A 6 18.770 12.533 -2.150 1.00 0.00 O ATOM 79 CB GLN A 6 19.270 14.289 -4.948 1.00 0.00 C ATOM 80 CG GLN A 6 17.772 14.296 -4.636 1.00 0.00 C ATOM 81 CD GLN A 6 17.014 14.945 -5.794 1.00 0.00 C ATOM 82 OE1 GLN A 6 17.495 15.880 -6.403 1.00 0.00 O ATOM 83 NE2 GLN A 6 15.839 14.485 -6.128 1.00 0.00 N ATOM 0 H GLN A 6 21.580 12.840 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 6 20.012 14.593 -2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.597 15.289 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.473 13.633 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 6 17.417 13.277 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 6 17.584 14.843 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.435 13.700 -5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.325 14.910 -6.900 1.00 0.00 H new ATOM 92 N LEU A 7 19.620 11.428 -3.849 1.00 0.00 N ATOM 93 CA LEU A 7 19.043 10.152 -3.349 1.00 0.00 C ATOM 94 C LEU A 7 19.778 9.736 -2.079 1.00 0.00 C ATOM 95 O LEU A 7 19.379 8.829 -1.375 1.00 0.00 O ATOM 96 CB LEU A 7 19.170 9.064 -4.417 1.00 0.00 C ATOM 97 CG LEU A 7 17.829 8.902 -5.136 1.00 0.00 C ATOM 98 CD1 LEU A 7 16.746 8.535 -4.119 1.00 0.00 C ATOM 99 CD2 LEU A 7 17.457 10.220 -5.819 1.00 0.00 C ATOM 0 H LEU A 7 20.155 11.358 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 7 17.985 10.292 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.949 9.329 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.466 8.121 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 7 17.910 8.112 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.791 8.420 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.010 7.598 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.665 9.325 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.502 10.107 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.376 11.008 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.228 10.485 -6.542 1.00 0.00 H new HETATM 111 N NLE A 8 20.837 10.419 -1.777 1.00 0.00 N HETATM 112 CA NLE A 8 21.613 10.115 -0.545 1.00 0.00 C HETATM 113 C NLE A 8 21.022 10.942 0.596 1.00 0.00 C HETATM 114 O NLE A 8 21.166 10.621 1.760 1.00 0.00 O HETATM 115 CB NLE A 8 23.077 10.509 -0.753 1.00 0.00 C HETATM 116 CG NLE A 8 23.787 9.437 -1.582 1.00 0.00 C HETATM 117 CD NLE A 8 25.126 9.984 -2.081 1.00 0.00 C HETATM 118 CE NLE A 8 25.781 8.963 -3.012 1.00 0.00 C HETATM 0 HG3 NLE A 8 23.949 8.543 -0.979 1.00 0.00 H new HETATM 0 HG2 NLE A 8 23.164 9.143 -2.427 1.00 0.00 H new HETATM 0 HE3 NLE A 8 25.949 8.032 -2.470 1.00 0.00 H new HETATM 0 HE2 NLE A 8 25.127 8.775 -3.863 1.00 0.00 H new HETATM 0 HE1 NLE A 8 26.735 9.354 -3.367 1.00 0.00 H new HETATM 0 HD3 NLE A 8 24.972 10.926 -2.608 1.00 0.00 H new HETATM 0 HD2 NLE A 8 25.782 10.195 -1.236 1.00 0.00 H new HETATM 0 HB3 NLE A 8 23.136 11.472 -1.260 1.00 0.00 H new HETATM 0 HB2 NLE A 8 23.573 10.625 0.211 1.00 0.00 H new HETATM 0 HA NLE A 8 21.562 9.051 -0.314 1.00 0.00 H new ATOM 130 N HIS A 9 20.354 12.010 0.253 1.00 0.00 N ATOM 131 CA HIS A 9 19.734 12.887 1.280 1.00 0.00 C ATOM 132 C HIS A 9 18.582 12.130 1.956 1.00 0.00 C ATOM 133 O HIS A 9 18.453 12.122 3.165 1.00 0.00 O ATOM 134 CB HIS A 9 19.237 14.175 0.580 1.00 0.00 C ATOM 135 CG HIS A 9 17.730 14.282 0.611 1.00 0.00 C ATOM 136 ND1 HIS A 9 17.044 14.757 1.718 1.00 0.00 N ATOM 137 CD2 HIS A 9 16.769 13.983 -0.325 1.00 0.00 C ATOM 138 CE1 HIS A 9 15.731 14.731 1.423 1.00 0.00 C ATOM 139 NE2 HIS A 9 15.508 14.268 0.190 1.00 0.00 N ATOM 0 H HIS A 9 20.211 12.314 -0.710 1.00 0.00 H new ATOM 0 HA HIS A 9 20.452 13.163 2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.674 15.046 1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.581 14.183 -0.454 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.963 13.587 -1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.952 15.046 2.101 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.607 14.149 -0.274 1.00 0.00 H new ATOM 147 N ASN A 10 17.747 11.497 1.179 1.00 0.00 N ATOM 148 CA ASN A 10 16.603 10.743 1.763 1.00 0.00 C ATOM 149 C ASN A 10 17.130 9.627 2.667 1.00 0.00 C ATOM 150 O ASN A 10 16.418 9.108 3.503 1.00 0.00 O ATOM 151 CB ASN A 10 15.770 10.132 0.634 1.00 0.00 C ATOM 152 CG ASN A 10 15.321 11.235 -0.326 1.00 0.00 C ATOM 153 OD1 ASN A 10 14.292 11.849 -0.125 1.00 0.00 O ATOM 154 ND2 ASN A 10 16.055 11.515 -1.368 1.00 0.00 N ATOM 0 H ASN A 10 17.808 11.470 0.161 1.00 0.00 H new ATOM 0 HA ASN A 10 15.984 11.421 2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 10 16.357 9.386 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.901 9.619 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.765 12.249 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.919 11.000 -1.537 1.00 0.00 H new ATOM 161 N LEU A 11 18.370 9.249 2.507 1.00 0.00 N ATOM 162 CA LEU A 11 18.928 8.163 3.361 1.00 0.00 C ATOM 163 C LEU A 11 20.209 8.643 4.043 1.00 0.00 C ATOM 164 O LEU A 11 21.304 8.298 3.644 1.00 0.00 O ATOM 165 CB LEU A 11 19.242 6.941 2.498 1.00 0.00 C ATOM 166 CG LEU A 11 19.472 5.728 3.401 1.00 0.00 C ATOM 167 CD1 LEU A 11 18.328 4.730 3.217 1.00 0.00 C ATOM 168 CD2 LEU A 11 20.797 5.061 3.030 1.00 0.00 C ATOM 0 H LEU A 11 19.018 9.644 1.825 1.00 0.00 H new ATOM 0 HA LEU A 11 18.193 7.896 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 11 18.419 6.746 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.127 7.129 1.890 1.00 0.00 H new ATOM 0 HG LEU A 11 19.507 6.051 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.492 3.866 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.384 5.206 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.291 4.406 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.962 4.196 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.763 4.738 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.612 5.772 3.163 1.00 0.00 H new ATOM 180 N GLY A 12 20.082 9.432 5.073 1.00 0.00 N ATOM 181 CA GLY A 12 21.293 9.929 5.786 1.00 0.00 C ATOM 182 C GLY A 12 21.532 9.067 7.026 1.00 0.00 C ATOM 183 O GLY A 12 22.411 8.229 7.042 1.00 0.00 O ATOM 0 H GLY A 12 19.192 9.755 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.160 9.889 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.159 10.972 6.073 1.00 0.00 H new HETATM 187 N ORN A 13 20.746 9.272 8.056 1.00 0.00 N HETATM 188 CA ORN A 13 20.895 8.478 9.316 1.00 0.00 C HETATM 189 CB ORN A 13 20.048 7.202 9.223 1.00 0.00 C HETATM 190 CG ORN A 13 20.681 6.217 8.235 1.00 0.00 C HETATM 191 CD ORN A 13 20.748 4.828 8.873 1.00 0.00 C HETATM 192 NE ORN A 13 22.174 4.437 9.057 1.00 0.00 N HETATM 193 C ORN A 13 22.361 8.108 9.547 1.00 0.00 C HETATM 194 O ORN A 13 22.677 7.005 9.947 1.00 0.00 O HETATM 0 HG3 ORN A 13 20.095 6.179 7.317 1.00 0.00 H new HETATM 0 HG2 ORN A 13 21.681 6.552 7.961 1.00 0.00 H new HETATM 0 HE1 ORN A 13 22.918 5.072 8.768 1.00 0.00 H new HETATM 0 HD3 ORN A 13 20.233 4.832 9.834 1.00 0.00 H new HETATM 0 HD2 ORN A 13 20.238 4.100 8.241 1.00 0.00 H new HETATM 0 HB3 ORN A 13 19.965 6.739 10.206 1.00 0.00 H new HETATM 0 HB2 ORN A 13 19.037 7.451 8.902 1.00 0.00 H new HETATM 0 HA ORN A 13 20.552 9.084 10.155 1.00 0.00 H new ATOM 204 N HIS A 14 23.262 9.017 9.294 1.00 0.00 N ATOM 205 CA HIS A 14 24.702 8.705 9.498 1.00 0.00 C ATOM 206 C HIS A 14 25.183 7.789 8.370 1.00 0.00 C ATOM 207 O HIS A 14 24.597 6.757 8.107 1.00 0.00 O ATOM 208 CB HIS A 14 24.880 7.992 10.841 1.00 0.00 C ATOM 209 CG HIS A 14 25.905 8.716 11.670 1.00 0.00 C ATOM 210 ND1 HIS A 14 25.552 9.537 12.729 1.00 0.00 N ATOM 211 CD2 HIS A 14 27.277 8.747 11.613 1.00 0.00 C ATOM 212 CE1 HIS A 14 26.688 10.022 13.263 1.00 0.00 C ATOM 213 NE2 HIS A 14 27.769 9.572 12.621 1.00 0.00 N ATOM 0 H HIS A 14 23.063 9.959 8.956 1.00 0.00 H new ATOM 0 HA HIS A 14 25.282 9.628 9.495 1.00 0.00 H new ATOM 0 HB2 HIS A 14 23.929 7.955 11.372 1.00 0.00 H new ATOM 0 HB3 HIS A 14 25.194 6.961 10.677 1.00 0.00 H new ATOM 0 HD2 HIS A 14 27.882 8.213 10.895 1.00 0.00 H new ATOM 0 HE1 HIS A 14 26.721 10.694 14.108 1.00 0.00 H new ATOM 0 HE2 HIS A 14 28.745 9.786 12.825 1.00 0.00 H new ATOM 221 N LEU A 15 26.242 8.153 7.701 1.00 0.00 N ATOM 222 CA LEU A 15 26.750 7.295 6.592 1.00 0.00 C ATOM 223 C LEU A 15 27.722 6.255 7.152 1.00 0.00 C ATOM 224 O LEU A 15 28.555 5.722 6.446 1.00 0.00 O ATOM 225 CB LEU A 15 27.468 8.168 5.559 1.00 0.00 C ATOM 226 CG LEU A 15 28.764 8.712 6.162 1.00 0.00 C ATOM 227 CD1 LEU A 15 29.956 8.217 5.341 1.00 0.00 C ATOM 228 CD2 LEU A 15 28.733 10.242 6.140 1.00 0.00 C ATOM 0 H LEU A 15 26.777 9.004 7.873 1.00 0.00 H new ATOM 0 HA LEU A 15 25.913 6.785 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.687 7.585 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 15 26.823 8.992 5.253 1.00 0.00 H new ATOM 0 HG LEU A 15 28.860 8.363 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.880 8.605 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 15 29.979 7.127 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.860 8.566 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 15 29.656 10.631 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.637 10.589 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 15 27.884 10.597 6.724 1.00 0.00 H new ATOM 240 N ASN A 16 27.623 5.966 8.419 1.00 0.00 N ATOM 241 CA ASN A 16 28.538 4.964 9.037 1.00 0.00 C ATOM 242 C ASN A 16 27.908 3.569 8.967 1.00 0.00 C ATOM 243 O ASN A 16 28.508 2.587 9.357 1.00 0.00 O ATOM 244 CB ASN A 16 28.795 5.347 10.502 1.00 0.00 C ATOM 245 CG ASN A 16 27.629 4.888 11.388 1.00 0.00 C ATOM 246 OD1 ASN A 16 27.817 4.599 12.553 1.00 0.00 O ATOM 247 ND2 ASN A 16 26.426 4.806 10.885 1.00 0.00 N ATOM 0 H ASN A 16 26.945 6.382 9.057 1.00 0.00 H new ATOM 0 HA ASN A 16 29.483 4.952 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 16 29.723 4.891 10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 16 28.920 6.427 10.586 1.00 0.00 H new ATOM 0 HD21 ASN A 16 25.648 4.500 11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 16 26.264 5.048 9.907 1.00 0.00 H new ATOM 254 N GLU A 17 26.700 3.474 8.483 1.00 0.00 N ATOM 255 CA GLU A 17 26.032 2.145 8.401 1.00 0.00 C ATOM 256 C GLU A 17 26.556 1.372 7.190 1.00 0.00 C ATOM 257 O GLU A 17 26.789 0.181 7.256 1.00 0.00 O ATOM 258 CB GLU A 17 24.523 2.347 8.263 1.00 0.00 C ATOM 259 CG GLU A 17 23.962 2.884 9.579 1.00 0.00 C ATOM 260 CD GLU A 17 22.479 3.217 9.407 1.00 0.00 C ATOM 261 OE1 GLU A 17 21.618 2.379 9.590 1.00 0.00 O ATOM 0 H GLU A 17 26.147 4.260 8.141 1.00 0.00 H new ATOM 0 HA GLU A 17 26.247 1.577 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.311 3.044 7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.040 1.404 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.090 2.144 10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 17 24.512 3.774 9.884 1.00 0.00 H new HETATM 268 N NLE A 18 26.735 2.035 6.083 1.00 0.00 N HETATM 269 CA NLE A 18 27.236 1.333 4.868 1.00 0.00 C HETATM 270 C NLE A 18 28.751 1.518 4.749 1.00 0.00 C HETATM 271 O NLE A 18 29.298 1.557 3.665 1.00 0.00 O HETATM 272 CB NLE A 18 26.557 1.915 3.630 1.00 0.00 C HETATM 273 CG NLE A 18 26.673 0.925 2.471 1.00 0.00 C HETATM 274 CD NLE A 18 26.319 1.629 1.160 1.00 0.00 C HETATM 275 CE NLE A 18 27.602 2.091 0.466 1.00 0.00 C HETATM 0 HG3 NLE A 18 27.686 0.526 2.420 1.00 0.00 H new HETATM 0 HG2 NLE A 18 26.005 0.079 2.633 1.00 0.00 H new HETATM 0 HE3 NLE A 18 28.138 2.782 1.116 1.00 0.00 H new HETATM 0 HE2 NLE A 18 28.233 1.227 0.255 1.00 0.00 H new HETATM 0 HE1 NLE A 18 27.350 2.593 -0.468 1.00 0.00 H new HETATM 0 HD3 NLE A 18 25.765 0.952 0.510 1.00 0.00 H new HETATM 0 HD2 NLE A 18 25.672 2.483 1.357 1.00 0.00 H new HETATM 0 HB3 NLE A 18 25.508 2.122 3.841 1.00 0.00 H new HETATM 0 HB2 NLE A 18 27.021 2.863 3.360 1.00 0.00 H new HETATM 0 HA NLE A 18 27.008 0.270 4.948 1.00 0.00 H new ATOM 287 N GLU A 19 29.430 1.638 5.854 1.00 0.00 N ATOM 288 CA GLU A 19 30.910 1.825 5.807 1.00 0.00 C ATOM 289 C GLU A 19 31.600 0.468 5.633 1.00 0.00 C ATOM 290 O GLU A 19 32.472 0.309 4.803 1.00 0.00 O ATOM 291 CB GLU A 19 31.384 2.473 7.109 1.00 0.00 C ATOM 292 CG GLU A 19 31.867 3.896 6.825 1.00 0.00 C ATOM 293 CD GLU A 19 32.957 3.859 5.754 1.00 0.00 C ATOM 294 OE1 GLU A 19 34.029 3.354 6.045 1.00 0.00 O ATOM 295 OE2 GLU A 19 32.702 4.336 4.660 1.00 0.00 O ATOM 0 H GLU A 19 29.026 1.615 6.790 1.00 0.00 H new ATOM 0 HA GLU A 19 31.164 2.468 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 19 30.571 2.492 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 19 32.190 1.885 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 19 31.034 4.514 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 19 32.254 4.349 7.738 1.00 0.00 H new ATOM 302 N ARG A 20 31.219 -0.511 6.409 1.00 0.00 N ATOM 303 CA ARG A 20 31.858 -1.854 6.283 1.00 0.00 C ATOM 304 C ARG A 20 31.160 -2.640 5.182 1.00 0.00 C ATOM 305 O ARG A 20 31.786 -3.074 4.254 1.00 0.00 O ATOM 306 CB ARG A 20 31.752 -2.609 7.609 1.00 0.00 C ATOM 307 CG ARG A 20 31.863 -1.623 8.775 1.00 0.00 C ATOM 308 CD ARG A 20 33.161 -0.825 8.650 1.00 0.00 C ATOM 309 NE ARG A 20 33.607 -0.391 10.004 1.00 0.00 N ATOM 310 CZ ARG A 20 33.890 -1.283 10.913 1.00 0.00 C ATOM 311 NH1 ARG A 20 34.847 -2.144 10.705 1.00 0.00 N ATOM 312 NH2 ARG A 20 33.212 -1.317 12.028 1.00 0.00 N ATOM 0 H ARG A 20 30.495 -0.440 7.123 1.00 0.00 H new ATOM 0 HA ARG A 20 32.912 -1.733 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 20 30.803 -3.142 7.660 1.00 0.00 H new ATOM 0 HB3 ARG A 20 32.542 -3.357 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 20 31.008 -0.947 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 20 31.845 -2.161 9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 20 33.932 -1.435 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 20 33.007 0.044 8.010 1.00 0.00 H new ATOM 0 HE ARG A 20 33.691 0.602 10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 20 35.374 -2.120 9.832 1.00 0.00 H new ATOM 0 HH12 ARG A 20 35.069 -2.842 11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 20 32.461 -0.646 12.189 1.00 0.00 H new ATOM 0 HH22 ARG A 20 33.433 -2.015 12.738 1.00 0.00 H new ATOM 326 N VAL A 21 29.866 -2.811 5.224 1.00 0.00 N ATOM 327 CA VAL A 21 29.223 -3.560 4.100 1.00 0.00 C ATOM 328 C VAL A 21 29.822 -3.029 2.796 1.00 0.00 C ATOM 329 O VAL A 21 29.933 -3.724 1.806 1.00 0.00 O ATOM 330 CB VAL A 21 27.707 -3.361 4.116 1.00 0.00 C ATOM 331 CG1 VAL A 21 27.389 -1.867 4.129 1.00 0.00 C ATOM 332 CG2 VAL A 21 27.098 -3.998 2.866 1.00 0.00 C ATOM 0 H VAL A 21 29.242 -2.479 5.959 1.00 0.00 H new ATOM 0 HA VAL A 21 29.409 -4.629 4.199 1.00 0.00 H new ATOM 0 HB VAL A 21 27.288 -3.830 5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 21 26.308 -1.725 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 21 27.824 -1.410 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 21 27.807 -1.398 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 21 26.017 -3.857 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 21 27.517 -3.527 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 21 27.325 -5.064 2.854 1.00 0.00 H new ATOM 342 N GLU A 22 30.273 -1.805 2.838 1.00 0.00 N ATOM 343 CA GLU A 22 30.949 -1.197 1.672 1.00 0.00 C ATOM 344 C GLU A 22 32.308 -1.861 1.525 1.00 0.00 C ATOM 345 O GLU A 22 32.610 -2.545 0.568 1.00 0.00 O ATOM 346 CB GLU A 22 31.171 0.306 1.970 1.00 0.00 C ATOM 347 CG GLU A 22 32.585 0.764 1.539 1.00 0.00 C ATOM 348 CD GLU A 22 32.557 2.246 1.165 1.00 0.00 C ATOM 349 OE1 GLU A 22 31.657 2.636 0.440 1.00 0.00 O ATOM 350 OE2 GLU A 22 33.435 2.966 1.610 1.00 0.00 O ATOM 0 H GLU A 22 30.197 -1.194 3.651 1.00 0.00 H new ATOM 0 HA GLU A 22 30.355 -1.323 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 22 30.420 0.897 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 22 31.036 0.491 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 22 33.294 0.597 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 22 32.926 0.172 0.690 1.00 0.00 H new ATOM 357 N TRP A 23 33.132 -1.587 2.482 1.00 0.00 N ATOM 358 CA TRP A 23 34.510 -2.087 2.486 1.00 0.00 C ATOM 359 C TRP A 23 34.505 -3.593 2.680 1.00 0.00 C ATOM 360 O TRP A 23 35.027 -4.328 1.869 1.00 0.00 O ATOM 361 CB TRP A 23 35.245 -1.298 3.581 1.00 0.00 C ATOM 362 CG TRP A 23 35.501 -2.048 4.852 1.00 0.00 C ATOM 363 CD1 TRP A 23 35.166 -1.596 6.077 1.00 0.00 C ATOM 364 CD2 TRP A 23 36.184 -3.305 5.059 1.00 0.00 C ATOM 365 NE1 TRP A 23 35.637 -2.484 7.030 1.00 0.00 N ATOM 366 CE2 TRP A 23 36.275 -3.559 6.445 1.00 0.00 C ATOM 367 CE3 TRP A 23 36.731 -4.222 4.181 1.00 0.00 C ATOM 368 CZ2 TRP A 23 36.910 -4.702 6.936 1.00 0.00 C ATOM 369 CZ3 TRP A 23 37.367 -5.382 4.655 1.00 0.00 C ATOM 370 CH2 TRP A 23 37.465 -5.618 6.035 1.00 0.00 C ATOM 0 H TRP A 23 32.892 -1.014 3.291 1.00 0.00 H new ATOM 0 HA TRP A 23 35.034 -1.932 1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 23 36.200 -0.958 3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 23 34.663 -0.407 3.816 1.00 0.00 H new ATOM 0 HD1 TRP A 23 34.619 -0.688 6.282 1.00 0.00 H new ATOM 0 HE1 TRP A 23 35.526 -2.359 8.036 1.00 0.00 H new ATOM 0 HE3 TRP A 23 36.669 -4.045 3.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 36.972 -4.877 8.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 37.781 -6.093 3.956 1.00 0.00 H new ATOM 0 HH2 TRP A 23 37.966 -6.502 6.400 1.00 0.00 H new ATOM 381 N LEU A 24 33.903 -4.061 3.715 1.00 0.00 N ATOM 382 CA LEU A 24 33.830 -5.525 3.940 1.00 0.00 C ATOM 383 C LEU A 24 33.520 -6.232 2.612 1.00 0.00 C ATOM 384 O LEU A 24 34.013 -7.308 2.337 1.00 0.00 O ATOM 385 CB LEU A 24 32.683 -5.792 4.903 1.00 0.00 C ATOM 386 CG LEU A 24 33.161 -6.553 6.138 1.00 0.00 C ATOM 387 CD1 LEU A 24 34.455 -5.937 6.642 1.00 0.00 C ATOM 388 CD2 LEU A 24 32.102 -6.440 7.233 1.00 0.00 C ATOM 0 H LEU A 24 33.450 -3.491 4.429 1.00 0.00 H new ATOM 0 HA LEU A 24 34.776 -5.892 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 24 32.233 -4.847 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 24 31.907 -6.366 4.397 1.00 0.00 H new ATOM 0 HG LEU A 24 33.326 -7.599 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.797 -6.479 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.214 -5.996 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 24 34.283 -4.893 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 24 32.435 -6.981 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 24 31.949 -5.390 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 24 31.164 -6.868 6.878 1.00 0.00 H new ATOM 400 N ARG A 25 32.687 -5.635 1.796 1.00 0.00 N ATOM 401 CA ARG A 25 32.315 -6.262 0.490 1.00 0.00 C ATOM 402 C ARG A 25 33.564 -6.737 -0.254 1.00 0.00 C ATOM 403 O ARG A 25 33.618 -7.849 -0.742 1.00 0.00 O ATOM 404 CB ARG A 25 31.576 -5.240 -0.376 1.00 0.00 C ATOM 405 CG ARG A 25 31.214 -5.882 -1.717 1.00 0.00 C ATOM 406 CD ARG A 25 29.742 -5.616 -2.032 1.00 0.00 C ATOM 407 NE ARG A 25 29.190 -6.752 -2.821 1.00 0.00 N ATOM 408 CZ ARG A 25 28.290 -6.532 -3.739 1.00 0.00 C ATOM 409 NH1 ARG A 25 27.068 -6.231 -3.396 1.00 0.00 N ATOM 410 NH2 ARG A 25 28.612 -6.615 -5.001 1.00 0.00 N ATOM 0 H ARG A 25 32.246 -4.734 1.980 1.00 0.00 H new ATOM 0 HA ARG A 25 31.672 -7.120 0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 25 30.674 -4.900 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 25 32.202 -4.362 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 25 31.845 -5.476 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 25 31.400 -6.955 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 25 29.178 -5.493 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 25 29.641 -4.687 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 25 29.516 -7.702 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 25 26.816 -6.168 -2.410 1.00 0.00 H new ATOM 0 HH12 ARG A 25 26.364 -6.059 -4.114 1.00 0.00 H new ATOM 0 HH21 ARG A 25 29.567 -6.852 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 25 27.908 -6.443 -5.719 1.00 0.00 H new ATOM 424 N LYS A 26 34.563 -5.904 -0.361 1.00 0.00 N ATOM 425 CA LYS A 26 35.803 -6.306 -1.089 1.00 0.00 C ATOM 426 C LYS A 26 36.698 -7.173 -0.191 1.00 0.00 C ATOM 427 O LYS A 26 37.909 -7.082 -0.242 1.00 0.00 O ATOM 428 CB LYS A 26 36.571 -5.049 -1.505 1.00 0.00 C ATOM 429 CG LYS A 26 36.266 -4.726 -2.969 1.00 0.00 C ATOM 430 CD LYS A 26 36.159 -3.209 -3.146 1.00 0.00 C ATOM 431 CE LYS A 26 36.730 -2.813 -4.509 1.00 0.00 C ATOM 432 NZ LYS A 26 36.539 -1.350 -4.724 1.00 0.00 N ATOM 0 H LYS A 26 34.575 -4.960 0.025 1.00 0.00 H new ATOM 0 HA LYS A 26 35.524 -6.885 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 26 36.288 -4.210 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 26 37.642 -5.203 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 26 37.052 -5.123 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 26 35.335 -5.205 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 26 35.118 -2.896 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 26 36.703 -2.700 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 26 37.790 -3.063 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 26 36.234 -3.375 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 36.927 -1.082 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 35.524 -1.125 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 37.032 -0.822 -3.976 1.00 0.00 H new ATOM 446 N LYS A 27 36.121 -8.022 0.617 1.00 0.00 N ATOM 447 CA LYS A 27 36.944 -8.897 1.497 1.00 0.00 C ATOM 448 C LYS A 27 36.776 -10.346 1.039 1.00 0.00 C ATOM 449 O LYS A 27 37.679 -11.152 1.142 1.00 0.00 O ATOM 450 CB LYS A 27 36.466 -8.759 2.944 1.00 0.00 C ATOM 451 CG LYS A 27 37.654 -8.913 3.895 1.00 0.00 C ATOM 452 CD LYS A 27 38.439 -10.175 3.533 1.00 0.00 C ATOM 453 CE LYS A 27 39.577 -10.372 4.536 1.00 0.00 C ATOM 454 NZ LYS A 27 39.213 -11.455 5.492 1.00 0.00 N ATOM 0 H LYS A 27 35.112 -8.146 0.705 1.00 0.00 H new ATOM 0 HA LYS A 27 37.993 -8.607 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.994 -7.787 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 35.712 -9.516 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 27 38.301 -8.038 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 27 37.303 -8.974 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.778 -11.042 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.840 -10.090 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 27 40.498 -10.629 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 27 39.766 -9.444 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 39.986 -11.590 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 38.344 -11.192 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 39.054 -12.340 4.970 1.00 0.00 H new ATOM 468 N LEU A 28 35.622 -10.678 0.528 1.00 0.00 N ATOM 469 CA LEU A 28 35.384 -12.069 0.054 1.00 0.00 C ATOM 470 C LEU A 28 35.643 -12.135 -1.453 1.00 0.00 C ATOM 471 O LEU A 28 36.050 -13.151 -1.980 1.00 0.00 O ATOM 472 CB LEU A 28 33.935 -12.464 0.343 1.00 0.00 C ATOM 473 CG LEU A 28 33.913 -13.644 1.316 1.00 0.00 C ATOM 474 CD1 LEU A 28 33.088 -13.273 2.550 1.00 0.00 C ATOM 475 CD2 LEU A 28 33.283 -14.857 0.629 1.00 0.00 C ATOM 0 H LEU A 28 34.832 -10.043 0.418 1.00 0.00 H new ATOM 0 HA LEU A 28 36.054 -12.755 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 28 33.394 -11.618 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 28 33.428 -12.733 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 28 34.932 -13.884 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 28 33.072 -14.114 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 28 33.534 -12.407 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 32.069 -13.033 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 28 33.266 -15.699 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 28 32.264 -14.615 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 28 33.869 -15.122 -0.251 1.00 0.00 H new ATOM 487 N GLN A 29 35.415 -11.053 -2.149 1.00 0.00 N ATOM 488 CA GLN A 29 35.654 -11.048 -3.620 1.00 0.00 C ATOM 489 C GLN A 29 37.142 -11.277 -3.888 1.00 0.00 C ATOM 490 O GLN A 29 37.549 -11.541 -5.002 1.00 0.00 O ATOM 491 CB GLN A 29 35.232 -9.696 -4.201 1.00 0.00 C ATOM 492 CG GLN A 29 35.500 -9.681 -5.708 1.00 0.00 C ATOM 493 CD GLN A 29 34.873 -8.429 -6.324 1.00 0.00 C ATOM 494 OE1 GLN A 29 33.944 -8.521 -7.102 1.00 0.00 O ATOM 495 NE2 GLN A 29 35.345 -7.254 -6.006 1.00 0.00 N ATOM 0 H GLN A 29 35.074 -10.173 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 29 35.071 -11.840 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 29 34.174 -9.519 -4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 29 35.784 -8.891 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 29 36.573 -9.694 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 29 35.083 -10.575 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 29 36.125 -7.177 -5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 29 34.934 -6.413 -6.411 1.00 0.00 H new ATOM 504 N ASP A 30 37.956 -11.184 -2.873 1.00 0.00 N ATOM 505 CA ASP A 30 39.418 -11.404 -3.068 1.00 0.00 C ATOM 506 C ASP A 30 39.775 -12.817 -2.606 1.00 0.00 C ATOM 507 O ASP A 30 40.662 -13.013 -1.799 1.00 0.00 O ATOM 508 CB ASP A 30 40.229 -10.378 -2.259 1.00 0.00 C ATOM 509 CG ASP A 30 39.375 -9.786 -1.136 1.00 0.00 C ATOM 510 OD1 ASP A 30 38.453 -9.049 -1.446 1.00 0.00 O ATOM 511 OD2 ASP A 30 39.656 -10.081 0.014 1.00 0.00 O ATOM 0 H ASP A 30 37.673 -10.965 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 30 39.660 -11.283 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.114 -10.855 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 30 40.579 -9.582 -2.916 1.00 0.00 H new ATOM 516 N VAL A 31 39.087 -13.804 -3.112 1.00 0.00 N ATOM 517 CA VAL A 31 39.382 -15.205 -2.704 1.00 0.00 C ATOM 518 C VAL A 31 39.915 -15.985 -3.905 1.00 0.00 C ATOM 519 O VAL A 31 39.177 -16.652 -4.602 1.00 0.00 O ATOM 520 CB VAL A 31 38.103 -15.869 -2.195 1.00 0.00 C ATOM 521 CG1 VAL A 31 38.344 -17.370 -2.026 1.00 0.00 C ATOM 522 CG2 VAL A 31 37.716 -15.258 -0.848 1.00 0.00 C ATOM 0 H VAL A 31 38.333 -13.700 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 31 40.130 -15.201 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 31 37.297 -15.709 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 31 37.433 -17.846 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 31 38.623 -17.804 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 31 39.148 -17.531 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 31 36.804 -15.730 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 31 38.520 -15.420 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 31 37.547 -14.188 -0.969 1.00 0.00 H new ATOM 532 N HIS A 32 41.193 -15.911 -4.148 1.00 0.00 N ATOM 533 CA HIS A 32 41.777 -16.653 -5.299 1.00 0.00 C ATOM 534 C HIS A 32 42.290 -18.010 -4.815 1.00 0.00 C ATOM 535 O HIS A 32 42.980 -18.714 -5.525 1.00 0.00 O ATOM 536 CB HIS A 32 42.935 -15.848 -5.891 1.00 0.00 C ATOM 537 CG HIS A 32 43.777 -15.291 -4.775 1.00 0.00 C ATOM 538 ND1 HIS A 32 44.633 -16.084 -4.029 1.00 0.00 N ATOM 539 CD2 HIS A 32 43.901 -14.022 -4.266 1.00 0.00 C ATOM 540 CE1 HIS A 32 45.230 -15.293 -3.119 1.00 0.00 C ATOM 541 NE2 HIS A 32 44.820 -14.026 -3.219 1.00 0.00 N ATOM 0 H HIS A 32 41.859 -15.368 -3.599 1.00 0.00 H new ATOM 0 HA HIS A 32 41.015 -16.803 -6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 32 43.541 -16.483 -6.537 1.00 0.00 H new ATOM 0 HB3 HIS A 32 42.550 -15.038 -6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 32 43.368 -13.153 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 32 45.953 -15.640 -2.396 1.00 0.00 H new ATOM 0 HE2 HIS A 32 45.116 -13.232 -2.651 1.00 0.00 H new ATOM 549 N ASN A 33 41.957 -18.382 -3.608 1.00 0.00 N ATOM 550 CA ASN A 33 42.423 -19.693 -3.075 1.00 0.00 C ATOM 551 C ASN A 33 41.683 -20.825 -3.789 1.00 0.00 C ATOM 552 O ASN A 33 42.241 -21.868 -4.063 1.00 0.00 O ATOM 553 CB ASN A 33 42.134 -19.762 -1.574 1.00 0.00 C ATOM 554 CG ASN A 33 43.451 -19.873 -0.804 1.00 0.00 C ATOM 555 OD1 ASN A 33 44.107 -18.882 -0.551 1.00 0.00 O ATOM 556 ND2 ASN A 33 43.869 -21.047 -0.416 1.00 0.00 N ATOM 0 H ASN A 33 41.382 -17.834 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 33 43.495 -19.796 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 33 41.589 -18.873 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 33 41.499 -20.620 -1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 33 44.745 -21.132 0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 33 43.319 -21.880 -0.628 1.00 0.00 H new ATOM 563 N PHE A 34 40.428 -20.628 -4.091 1.00 0.00 N ATOM 564 CA PHE A 34 39.654 -21.694 -4.787 1.00 0.00 C ATOM 565 C PHE A 34 39.756 -21.494 -6.300 1.00 0.00 C ATOM 566 O PHE A 34 39.283 -20.475 -6.777 1.00 0.00 O ATOM 567 CB PHE A 34 38.187 -21.619 -4.360 1.00 0.00 C ATOM 568 CG PHE A 34 37.401 -22.694 -5.072 1.00 0.00 C ATOM 569 CD1 PHE A 34 37.435 -24.012 -4.601 1.00 0.00 C ATOM 570 CD2 PHE A 34 36.640 -22.373 -6.202 1.00 0.00 C ATOM 571 CE1 PHE A 34 36.707 -25.010 -5.261 1.00 0.00 C ATOM 572 CE2 PHE A 34 35.912 -23.371 -6.862 1.00 0.00 C ATOM 573 CZ PHE A 34 35.946 -24.689 -6.392 1.00 0.00 C ATOM 574 OXT PHE A 34 40.306 -22.362 -6.957 1.00 0.00 O ATOM 0 H PHE A 34 39.906 -19.776 -3.886 1.00 0.00 H new ATOM 0 HA PHE A 34 40.060 -22.670 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 34 38.104 -21.747 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 34 37.778 -20.637 -4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 34 38.022 -24.259 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 34 36.614 -21.356 -6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 34 36.732 -26.027 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 34 35.324 -23.124 -7.734 1.00 0.00 H new ATOM 0 HZ PHE A 34 35.385 -25.459 -6.902 1.00 0.00 H new TER 584 PHE A 34