USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 MET CE :methyl -175:sc= -1.12 (180deg=-1.14) USER MOD Set 1.2: A 51 GLN : amide:sc=0.000772 K(o=-1.1,f=-10!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -147:sc= 0.543 (180deg=0) USER MOD Set 2.2: A 12 GLN : amide:sc= -1.53 K(o=-0.99,f=-8.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.92 F(o=-2.3,f=-0.92) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -121:sc= 0.625 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= 1.1 (180deg=0.2) USER MOD Single : A 31 TYR OH : rot -155:sc= 0.982 USER MOD Single : A 44 HIS : no HE2:sc= 0.203 K(o=0.2,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 0.754 (180deg=0.061) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -124:sc= -0.968 (180deg=-2.11) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 1.19 (180deg=0.833) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0478) USER MOD Single : A 75 GLN : amide:sc= -0.0958 K(o=-0.096,f=-2.5!) USER MOD Single : A 78 GLN : amide:sc= 0.469 K(o=0.47,f=-0.78) USER MOD Single : A 80 HIS : no HE2:sc= 0.0152 K(o=0.015,f=-1.6) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0131) USER MOD Single : A 87 GLN : amide:sc=-0.00678 X(o=-0.0068,f=-0.049) USER MOD Single : A 88 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.963 20.830 13.037 1.00 0.00 N ATOM 21 CA PHE A 2 -30.088 19.786 12.504 1.00 0.00 C ATOM 22 C PHE A 2 -29.873 18.727 13.597 1.00 0.00 C ATOM 23 O PHE A 2 -30.629 17.760 13.650 1.00 0.00 O ATOM 24 CB PHE A 2 -28.795 20.367 11.884 1.00 0.00 C ATOM 25 CG PHE A 2 -28.989 21.659 11.107 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.576 21.647 9.826 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.623 22.886 11.694 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.816 22.858 9.150 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.861 24.093 11.020 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.469 24.080 9.754 1.00 0.00 C ATOM 0 HA PHE A 2 -30.561 19.285 11.659 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.073 20.543 12.681 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.360 19.621 11.219 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.842 20.708 9.363 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.157 22.898 12.668 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.266 22.849 8.168 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.577 25.031 11.474 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.670 25.010 9.243 1.00 0.00 H new ATOM 40 N THR A 3 -28.926 18.979 14.509 1.00 0.00 N ATOM 41 CA THR A 3 -28.583 18.230 15.710 1.00 0.00 C ATOM 42 C THR A 3 -27.983 16.855 15.381 1.00 0.00 C ATOM 43 O THR A 3 -28.697 15.917 15.021 1.00 0.00 O ATOM 44 CB THR A 3 -29.771 18.087 16.664 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.467 19.302 16.883 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.294 17.573 18.029 1.00 0.00 C ATOM 0 H THR A 3 -28.324 19.796 14.408 1.00 0.00 H new ATOM 0 HA THR A 3 -27.818 18.814 16.222 1.00 0.00 H new ATOM 0 HB THR A 3 -30.452 17.384 16.184 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.214 19.145 17.498 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.148 17.475 18.700 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.817 16.601 17.905 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.578 18.277 18.453 1.00 0.00 H new ATOM 54 N ILE A 4 -26.659 16.727 15.517 1.00 0.00 N ATOM 55 CA ILE A 4 -25.911 15.600 14.982 1.00 0.00 C ATOM 56 C ILE A 4 -25.523 14.691 16.141 1.00 0.00 C ATOM 57 O ILE A 4 -24.434 14.789 16.697 1.00 0.00 O ATOM 58 CB ILE A 4 -24.724 16.023 14.088 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.718 17.484 13.618 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.624 15.069 12.896 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.896 17.949 12.752 1.00 0.00 C ATOM 0 H ILE A 4 -26.079 17.410 16.005 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.545 15.037 14.297 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.843 15.954 14.726 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.676 18.122 14.501 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.799 17.654 13.057 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.787 15.364 12.263 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.465 14.052 13.256 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.548 15.110 12.319 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.764 18.999 12.492 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.936 17.352 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.826 17.827 13.307 1.00 0.00 H new ATOM 73 N ASN A 5 -26.466 13.839 16.546 1.00 0.00 N ATOM 74 CA ASN A 5 -26.338 12.997 17.720 1.00 0.00 C ATOM 75 C ASN A 5 -25.123 12.084 17.539 1.00 0.00 C ATOM 76 O ASN A 5 -25.098 11.273 16.606 1.00 0.00 O ATOM 77 CB ASN A 5 -27.641 12.227 17.991 1.00 0.00 C ATOM 78 CG ASN A 5 -28.774 13.103 18.537 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.120 14.205 17.869 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.334 12.800 19.585 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.352 13.718 16.055 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.170 13.607 18.607 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.972 11.755 17.066 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.438 11.426 18.702 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.059 11.954 20.084 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.075 13.394 19.957 1.00 0.00 H new ATOM 87 N ALA A 6 -24.115 12.276 18.402 1.00 0.00 N ATOM 88 CA ALA A 6 -22.847 11.564 18.405 1.00 0.00 C ATOM 89 C ALA A 6 -22.688 10.878 19.771 1.00 0.00 C ATOM 90 O ALA A 6 -23.655 10.700 20.513 1.00 0.00 O ATOM 91 CB ALA A 6 -21.682 12.531 18.070 1.00 0.00 C ATOM 0 H ALA A 6 -24.173 12.967 19.150 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.827 10.796 17.632 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.740 11.982 18.076 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.842 12.965 17.083 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.644 13.326 18.815 1.00 0.00 H new ATOM 97 N GLU A 7 -21.458 10.496 20.107 1.00 0.00 N ATOM 98 CA GLU A 7 -21.015 10.037 21.415 1.00 0.00 C ATOM 99 C GLU A 7 -19.498 10.227 21.443 1.00 0.00 C ATOM 100 O GLU A 7 -18.827 10.005 20.440 1.00 0.00 O ATOM 101 CB GLU A 7 -21.431 8.573 21.648 1.00 0.00 C ATOM 102 CG GLU A 7 -20.836 7.609 20.614 1.00 0.00 C ATOM 103 CD GLU A 7 -21.619 6.296 20.531 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.410 5.445 21.423 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.429 6.169 19.583 1.00 0.00 O ATOM 0 H GLU A 7 -20.698 10.500 19.427 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.478 10.604 22.223 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.117 8.266 22.646 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.518 8.501 21.620 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.828 8.088 19.635 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.799 7.396 20.873 1.00 0.00 H new ATOM 112 N VAL A 8 -18.949 10.679 22.568 1.00 0.00 N ATOM 113 CA VAL A 8 -17.525 10.973 22.706 1.00 0.00 C ATOM 114 C VAL A 8 -16.664 9.725 22.527 1.00 0.00 C ATOM 115 O VAL A 8 -17.015 8.644 23.001 1.00 0.00 O ATOM 116 CB VAL A 8 -17.248 11.625 24.072 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.628 13.098 24.004 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.005 10.963 25.230 1.00 0.00 C ATOM 0 H VAL A 8 -19.486 10.853 23.418 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.254 11.671 21.913 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.185 11.496 24.276 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.435 13.568 24.968 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.035 13.592 23.234 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.687 13.190 23.761 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.763 11.473 26.162 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.078 11.029 25.048 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.713 9.915 25.304 1.00 0.00 H new ATOM 128 N ARG A 9 -15.512 9.907 21.867 1.00 0.00 N ATOM 129 CA ARG A 9 -14.535 8.822 21.708 1.00 0.00 C ATOM 130 C ARG A 9 -13.094 9.304 21.743 1.00 0.00 C ATOM 131 O ARG A 9 -12.807 10.410 21.307 1.00 0.00 O ATOM 132 CB ARG A 9 -14.823 7.978 20.456 1.00 0.00 C ATOM 133 CG ARG A 9 -15.411 8.674 19.220 1.00 0.00 C ATOM 134 CD ARG A 9 -14.481 9.638 18.480 1.00 0.00 C ATOM 135 NE ARG A 9 -13.401 8.896 17.836 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.685 9.206 16.744 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.721 10.409 16.159 1.00 0.00 N ATOM 138 NH2 ARG A 9 -11.897 8.260 16.239 1.00 0.00 N ATOM 0 H ARG A 9 -15.235 10.790 21.437 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.657 8.177 22.578 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.889 7.502 20.155 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.508 7.181 20.744 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.738 7.907 18.518 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.300 9.224 19.527 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.044 10.198 17.733 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.067 10.365 19.179 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.154 8.012 18.281 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.314 11.145 16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.155 10.590 15.330 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.855 7.342 16.681 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.335 8.453 15.410 1.00 0.00 H new ATOM 152 N LYS A 10 -12.186 8.447 22.226 1.00 0.00 N ATOM 153 CA LYS A 10 -10.748 8.690 22.354 1.00 0.00 C ATOM 154 C LYS A 10 -9.880 7.552 21.788 1.00 0.00 C ATOM 155 O LYS A 10 -8.668 7.706 21.673 1.00 0.00 O ATOM 156 CB LYS A 10 -10.394 9.019 23.811 1.00 0.00 C ATOM 157 CG LYS A 10 -10.890 10.402 24.282 1.00 0.00 C ATOM 158 CD LYS A 10 -10.114 11.597 23.688 1.00 0.00 C ATOM 159 CE LYS A 10 -10.703 12.168 22.388 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.780 13.134 21.757 1.00 0.00 N ATOM 0 H LYS A 10 -12.451 7.518 22.554 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.513 9.556 21.735 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.819 8.252 24.459 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.311 8.973 23.930 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.944 10.504 24.022 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.824 10.447 25.369 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.075 12.392 24.432 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.086 11.287 23.499 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.912 11.355 21.693 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.654 12.657 22.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.329 13.875 21.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.178 13.567 22.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.182 12.641 21.063 1.00 0.00 H new ATOM 174 N GLU A 11 -10.498 6.446 21.363 1.00 0.00 N ATOM 175 CA GLU A 11 -9.909 5.266 20.719 1.00 0.00 C ATOM 176 C GLU A 11 -9.390 5.499 19.276 1.00 0.00 C ATOM 177 O GLU A 11 -9.167 4.536 18.542 1.00 0.00 O ATOM 178 CB GLU A 11 -10.914 4.083 20.805 1.00 0.00 C ATOM 179 CG GLU A 11 -12.421 4.424 20.780 1.00 0.00 C ATOM 180 CD GLU A 11 -13.012 4.656 22.172 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.406 3.660 22.820 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.096 5.843 22.553 1.00 0.00 O ATOM 0 H GLU A 11 -11.507 6.344 21.469 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.003 5.020 21.273 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.708 3.406 19.976 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.709 3.533 21.724 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.574 5.317 20.174 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.962 3.612 20.294 1.00 0.00 H new ATOM 189 N GLN A 12 -9.214 6.755 18.841 1.00 0.00 N ATOM 190 CA GLN A 12 -8.936 7.158 17.453 1.00 0.00 C ATOM 191 C GLN A 12 -7.794 6.419 16.748 1.00 0.00 C ATOM 192 O GLN A 12 -7.897 6.213 15.542 1.00 0.00 O ATOM 193 CB GLN A 12 -8.673 8.667 17.328 1.00 0.00 C ATOM 194 CG GLN A 12 -8.134 9.410 18.550 1.00 0.00 C ATOM 195 CD GLN A 12 -9.215 10.015 19.464 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.907 10.793 20.358 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.501 9.692 19.284 1.00 0.00 N ATOM 0 H GLN A 12 -9.264 7.553 19.474 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.857 6.872 16.945 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.968 8.815 16.510 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.608 9.145 17.033 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.525 8.722 19.137 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.475 10.209 18.211 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.765 9.045 18.541 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.217 10.093 19.889 1.00 0.00 H new ATOM 206 N GLY A 13 -6.758 6.023 17.496 1.00 0.00 N ATOM 207 CA GLY A 13 -5.511 5.369 17.060 1.00 0.00 C ATOM 208 C GLY A 13 -5.605 4.150 16.114 1.00 0.00 C ATOM 209 O GLY A 13 -4.564 3.659 15.679 1.00 0.00 O ATOM 0 H GLY A 13 -6.767 6.162 18.506 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.897 6.123 16.568 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.973 5.053 17.954 1.00 0.00 H new ATOM 213 N LYS A 14 -6.831 3.700 15.802 1.00 0.00 N ATOM 214 CA LYS A 14 -7.370 2.772 14.795 1.00 0.00 C ATOM 215 C LYS A 14 -8.409 1.843 15.426 1.00 0.00 C ATOM 216 O LYS A 14 -9.270 1.360 14.694 1.00 0.00 O ATOM 217 CB LYS A 14 -6.341 1.973 13.966 1.00 0.00 C ATOM 218 CG LYS A 14 -5.824 2.707 12.722 1.00 0.00 C ATOM 219 CD LYS A 14 -6.750 2.557 11.498 1.00 0.00 C ATOM 220 CE LYS A 14 -6.383 1.343 10.630 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.409 1.681 9.570 1.00 0.00 N ATOM 0 H LYS A 14 -7.610 4.049 16.360 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.836 3.424 14.056 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.493 1.723 14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.795 1.032 13.656 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.709 3.766 12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.834 2.327 12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.782 2.460 11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.697 3.462 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.969 0.559 11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.287 0.940 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.194 0.830 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.812 2.410 8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.535 2.041 10.004 1.00 0.00 H new ATOM 235 N GLY A 15 -8.399 1.653 16.755 1.00 0.00 N ATOM 236 CA GLY A 15 -9.400 0.871 17.478 1.00 0.00 C ATOM 237 C GLY A 15 -10.826 1.394 17.260 1.00 0.00 C ATOM 238 O GLY A 15 -11.731 0.614 16.954 1.00 0.00 O ATOM 0 H GLY A 15 -7.681 2.047 17.362 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.345 -0.169 17.157 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.169 0.888 18.543 1.00 0.00 H new ATOM 242 N ALA A 16 -11.027 2.716 17.365 1.00 0.00 N ATOM 243 CA ALA A 16 -12.293 3.364 17.026 1.00 0.00 C ATOM 244 C ALA A 16 -12.575 3.204 15.536 1.00 0.00 C ATOM 245 O ALA A 16 -13.690 2.926 15.113 1.00 0.00 O ATOM 246 CB ALA A 16 -12.263 4.860 17.330 1.00 0.00 C ATOM 0 H ALA A 16 -10.310 3.365 17.689 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.066 2.888 17.629 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.222 5.305 17.064 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.075 5.012 18.393 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.471 5.333 16.750 1.00 0.00 H new ATOM 252 N SER A 17 -11.537 3.407 14.732 1.00 0.00 N ATOM 253 CA SER A 17 -11.651 3.569 13.293 1.00 0.00 C ATOM 254 C SER A 17 -12.272 2.322 12.637 1.00 0.00 C ATOM 255 O SER A 17 -12.970 2.450 11.631 1.00 0.00 O ATOM 256 CB SER A 17 -10.255 3.912 12.765 1.00 0.00 C ATOM 257 OG SER A 17 -10.299 4.577 11.524 1.00 0.00 O ATOM 0 H SER A 17 -10.577 3.464 15.071 1.00 0.00 H new ATOM 0 HA SER A 17 -12.333 4.380 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.738 4.539 13.492 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.673 2.996 12.663 1.00 0.00 H new ATOM 0 HG SER A 17 -9.803 4.058 10.857 1.00 0.00 H new ATOM 263 N ARG A 18 -12.103 1.140 13.254 1.00 0.00 N ATOM 264 CA ARG A 18 -12.667 -0.128 12.827 1.00 0.00 C ATOM 265 C ARG A 18 -14.074 -0.327 13.382 1.00 0.00 C ATOM 266 O ARG A 18 -14.924 -0.708 12.590 1.00 0.00 O ATOM 267 CB ARG A 18 -11.707 -1.317 13.061 1.00 0.00 C ATOM 268 CG ARG A 18 -11.085 -1.551 14.456 1.00 0.00 C ATOM 269 CD ARG A 18 -11.954 -2.215 15.532 1.00 0.00 C ATOM 270 NE ARG A 18 -12.519 -3.505 15.102 1.00 0.00 N ATOM 271 CZ ARG A 18 -12.304 -4.704 15.669 1.00 0.00 C ATOM 272 NH1 ARG A 18 -11.447 -4.879 16.681 1.00 0.00 N ATOM 273 NH2 ARG A 18 -12.960 -5.773 15.210 1.00 0.00 N ATOM 0 H ARG A 18 -11.542 1.051 14.101 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.784 -0.093 11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.246 -2.225 12.791 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.884 -1.212 12.354 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.192 -2.162 14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.757 -0.586 14.841 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.356 -2.368 16.430 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.767 -1.541 15.801 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.137 -3.486 14.291 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.926 -4.084 17.052 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.314 -5.807 17.082 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.617 -5.675 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.804 -6.688 15.633 1.00 0.00 H new ATOM 287 N ARG A 19 -14.376 -0.030 14.660 1.00 0.00 N ATOM 288 CA ARG A 19 -15.754 -0.156 15.167 1.00 0.00 C ATOM 289 C ARG A 19 -16.717 0.788 14.428 1.00 0.00 C ATOM 290 O ARG A 19 -17.861 0.403 14.193 1.00 0.00 O ATOM 291 CB ARG A 19 -15.864 0.044 16.696 1.00 0.00 C ATOM 292 CG ARG A 19 -15.295 1.393 17.134 1.00 0.00 C ATOM 293 CD ARG A 19 -15.691 1.936 18.497 1.00 0.00 C ATOM 294 NE ARG A 19 -15.128 1.153 19.601 1.00 0.00 N ATOM 295 CZ ARG A 19 -14.925 1.673 20.820 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.487 2.834 21.175 1.00 0.00 N ATOM 297 NH2 ARG A 19 -14.118 1.059 21.688 1.00 0.00 N ATOM 0 H ARG A 19 -13.697 0.293 15.349 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.049 -1.185 14.963 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.909 -0.025 16.997 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.332 -0.758 17.207 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.208 1.319 17.109 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.581 2.133 16.386 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.358 2.970 18.583 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.778 1.944 18.579 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.882 0.177 19.436 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.080 3.337 20.514 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.323 3.216 22.106 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.653 0.190 21.425 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.967 1.459 22.614 1.00 0.00 H new ATOM 311 N LEU A 20 -16.271 1.997 14.043 1.00 0.00 N ATOM 312 CA LEU A 20 -17.127 2.989 13.425 1.00 0.00 C ATOM 313 C LEU A 20 -17.495 2.555 12.023 1.00 0.00 C ATOM 314 O LEU A 20 -18.685 2.381 11.760 1.00 0.00 O ATOM 315 CB LEU A 20 -16.467 4.373 13.420 1.00 0.00 C ATOM 316 CG LEU A 20 -16.764 5.124 14.729 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.587 5.235 15.679 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.112 6.572 14.446 1.00 0.00 C ATOM 0 H LEU A 20 -15.304 2.301 14.158 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.040 3.070 14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.390 4.267 13.293 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.833 4.952 12.572 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.567 4.538 15.176 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.891 5.779 16.573 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.250 4.237 15.959 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.773 5.769 15.189 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.319 7.087 15.384 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.274 7.056 13.944 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.993 6.616 13.806 1.00 0.00 H new ATOM 330 N ARG A 21 -16.504 2.345 11.142 1.00 0.00 N ATOM 331 CA ARG A 21 -16.822 1.860 9.805 1.00 0.00 C ATOM 332 C ARG A 21 -17.417 0.450 9.831 1.00 0.00 C ATOM 333 O ARG A 21 -18.107 0.090 8.877 1.00 0.00 O ATOM 334 CB ARG A 21 -15.630 2.018 8.848 1.00 0.00 C ATOM 335 CG ARG A 21 -14.517 0.974 9.025 1.00 0.00 C ATOM 336 CD ARG A 21 -13.256 1.363 8.238 1.00 0.00 C ATOM 337 NE ARG A 21 -12.581 2.529 8.834 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.273 3.707 8.266 1.00 0.00 C ATOM 339 NH1 ARG A 21 -12.545 3.974 6.986 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.680 4.646 9.002 1.00 0.00 N ATOM 0 H ARG A 21 -15.513 2.499 11.328 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.611 2.493 9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.996 1.967 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.202 3.011 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.272 0.876 10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.872 0.000 8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.568 0.518 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.526 1.587 7.206 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.310 2.428 9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.002 3.272 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.296 4.880 6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.466 4.466 9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.440 5.545 8.585 1.00 0.00 H new ATOM 354 N ALA A 22 -17.238 -0.310 10.927 1.00 0.00 N ATOM 355 CA ALA A 22 -17.945 -1.589 11.073 1.00 0.00 C ATOM 356 C ALA A 22 -19.436 -1.439 11.420 1.00 0.00 C ATOM 357 O ALA A 22 -20.190 -2.393 11.232 1.00 0.00 O ATOM 358 CB ALA A 22 -17.268 -2.459 12.128 1.00 0.00 C ATOM 0 H ALA A 22 -16.625 -0.067 11.705 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.892 -2.066 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.806 -3.402 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.238 -2.657 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.275 -1.940 13.087 1.00 0.00 H new ATOM 364 N ALA A 23 -19.873 -0.265 11.896 1.00 0.00 N ATOM 365 CA ALA A 23 -21.237 0.019 12.331 1.00 0.00 C ATOM 366 C ALA A 23 -21.862 1.166 11.547 1.00 0.00 C ATOM 367 O ALA A 23 -22.836 1.757 12.017 1.00 0.00 O ATOM 368 CB ALA A 23 -21.245 0.359 13.818 1.00 0.00 C ATOM 0 H ALA A 23 -19.256 0.542 11.990 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.831 -0.876 12.145 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.266 0.570 14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -20.854 -0.485 14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.621 1.235 13.994 1.00 0.00 H new ATOM 374 N ASN A 24 -21.312 1.492 10.365 1.00 0.00 N ATOM 375 CA ASN A 24 -21.833 2.524 9.477 1.00 0.00 C ATOM 376 C ASN A 24 -21.716 3.947 10.056 1.00 0.00 C ATOM 377 O ASN A 24 -22.186 4.906 9.442 1.00 0.00 O ATOM 378 CB ASN A 24 -23.265 2.144 9.055 1.00 0.00 C ATOM 379 CG ASN A 24 -23.297 1.502 7.673 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.675 2.132 6.690 1.00 0.00 O ATOM 381 ND2 ASN A 24 -22.887 0.237 7.590 1.00 0.00 N ATOM 0 H ASN A 24 -20.478 1.032 10.001 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.210 2.563 8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.688 1.455 9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.893 3.035 9.056 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.881 -0.239 6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -22.580 -0.256 8.429 1.00 0.00 H new ATOM 388 N LYS A 25 -21.056 4.100 11.210 1.00 0.00 N ATOM 389 CA LYS A 25 -20.622 5.374 11.745 1.00 0.00 C ATOM 390 C LYS A 25 -19.273 5.735 11.113 1.00 0.00 C ATOM 391 O LYS A 25 -18.717 4.978 10.313 1.00 0.00 O ATOM 392 CB LYS A 25 -20.601 5.284 13.280 1.00 0.00 C ATOM 393 CG LYS A 25 -22.042 5.110 13.794 1.00 0.00 C ATOM 394 CD LYS A 25 -22.248 5.642 15.217 1.00 0.00 C ATOM 395 CE LYS A 25 -23.698 6.064 15.473 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.679 5.015 15.126 1.00 0.00 N ATOM 0 H LYS A 25 -20.807 3.311 11.807 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.307 6.184 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.984 4.444 13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.157 6.185 13.704 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.726 5.625 13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.304 4.052 13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.963 4.873 15.935 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.589 6.494 15.384 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.813 6.326 16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.916 6.962 14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.459 5.027 15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.056 5.193 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.214 4.085 15.146 1.00 0.00 H new ATOM 410 N PHE A 26 -18.748 6.914 11.442 1.00 0.00 N ATOM 411 CA PHE A 26 -17.442 7.375 11.000 1.00 0.00 C ATOM 412 C PHE A 26 -17.021 8.484 11.983 1.00 0.00 C ATOM 413 O PHE A 26 -17.883 9.114 12.609 1.00 0.00 O ATOM 414 CB PHE A 26 -17.489 7.878 9.541 1.00 0.00 C ATOM 415 CG PHE A 26 -18.063 9.267 9.457 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.410 9.462 9.796 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.205 10.370 9.309 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.869 10.744 10.097 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.676 11.660 9.597 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.990 11.838 10.040 1.00 0.00 C ATOM 0 H PHE A 26 -19.233 7.587 12.036 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.713 6.565 11.003 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.484 7.872 9.120 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.091 7.197 8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.089 8.623 9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.188 10.226 8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.902 10.896 10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.025 12.513 9.477 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.330 12.819 10.339 1.00 0.00 H new ATOM 430 N PRO A 27 -15.713 8.695 12.182 1.00 0.00 N ATOM 431 CA PRO A 27 -15.229 9.620 13.196 1.00 0.00 C ATOM 432 C PRO A 27 -15.449 11.081 12.794 1.00 0.00 C ATOM 433 O PRO A 27 -15.497 11.408 11.610 1.00 0.00 O ATOM 434 CB PRO A 27 -13.747 9.274 13.354 1.00 0.00 C ATOM 435 CG PRO A 27 -13.360 8.593 12.044 1.00 0.00 C ATOM 436 CD PRO A 27 -14.636 7.853 11.686 1.00 0.00 C ATOM 0 HA PRO A 27 -15.770 9.518 14.137 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.149 10.169 13.526 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.584 8.613 14.206 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.077 9.314 11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.516 7.915 12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.716 7.703 10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.662 6.866 12.148 1.00 0.00 H new ATOM 444 N ALA A 28 -15.520 11.966 13.794 1.00 0.00 N ATOM 445 CA ALA A 28 -15.386 13.409 13.627 1.00 0.00 C ATOM 446 C ALA A 28 -14.579 14.013 14.777 1.00 0.00 C ATOM 447 O ALA A 28 -14.176 13.302 15.704 1.00 0.00 O ATOM 448 CB ALA A 28 -16.765 14.070 13.504 1.00 0.00 C ATOM 0 H ALA A 28 -15.676 11.688 14.763 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.842 13.601 12.702 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.643 15.146 13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.288 13.662 12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.345 13.872 14.405 1.00 0.00 H new ATOM 454 N ILE A 29 -14.393 15.340 14.723 1.00 0.00 N ATOM 455 CA ILE A 29 -13.762 16.135 15.777 1.00 0.00 C ATOM 456 C ILE A 29 -14.515 17.442 15.961 1.00 0.00 C ATOM 457 O ILE A 29 -15.173 17.940 15.051 1.00 0.00 O ATOM 458 CB ILE A 29 -12.271 16.351 15.451 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.375 17.029 16.505 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.080 17.171 14.174 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.197 16.237 17.795 1.00 0.00 C ATOM 0 H ILE A 29 -14.686 15.901 13.923 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.809 15.600 16.726 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.947 15.313 15.376 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.393 17.208 16.066 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.798 18.004 16.749 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.015 17.300 13.980 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.541 16.650 13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.548 18.148 14.296 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.552 16.792 18.476 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.169 16.080 18.263 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.743 15.272 17.570 1.00 0.00 H new ATOM 473 N ILE A 30 -14.360 18.005 17.154 1.00 0.00 N ATOM 474 CA ILE A 30 -14.946 19.265 17.582 1.00 0.00 C ATOM 475 C ILE A 30 -13.774 20.093 18.076 1.00 0.00 C ATOM 476 O ILE A 30 -13.423 19.998 19.248 1.00 0.00 O ATOM 477 CB ILE A 30 -16.064 19.041 18.638 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.289 18.480 17.900 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.384 20.319 19.425 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.496 18.088 18.757 1.00 0.00 C ATOM 0 H ILE A 30 -13.794 17.572 17.883 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.462 19.791 16.778 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.730 18.328 19.392 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.616 19.223 17.173 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.973 17.601 17.338 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.171 20.112 20.150 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.489 20.658 19.947 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.719 21.095 18.737 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.290 17.708 18.115 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.202 17.315 19.467 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.856 18.962 19.300 1.00 0.00 H new ATOM 492 N TYR A 31 -13.129 20.842 17.175 1.00 0.00 N ATOM 493 CA TYR A 31 -11.899 21.548 17.490 1.00 0.00 C ATOM 494 C TYR A 31 -12.104 23.036 17.742 1.00 0.00 C ATOM 495 O TYR A 31 -13.211 23.548 17.638 1.00 0.00 O ATOM 496 CB TYR A 31 -10.786 21.206 16.505 1.00 0.00 C ATOM 497 CG TYR A 31 -10.940 21.450 15.019 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.324 22.707 14.505 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.507 20.440 14.140 1.00 0.00 C ATOM 500 CE1 TYR A 31 -11.282 22.940 13.118 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.450 20.670 12.759 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.845 21.924 12.240 1.00 0.00 C ATOM 503 OH TYR A 31 -10.831 22.142 10.897 1.00 0.00 O ATOM 0 H TYR A 31 -13.449 20.970 16.215 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.551 21.179 18.455 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.900 21.754 16.826 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.567 20.146 16.631 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.650 23.489 15.175 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.216 19.478 14.534 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.585 23.899 12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.106 19.892 12.094 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.904 21.286 10.426 1.00 0.00 H new ATOM 574 N PRO A 37 -9.901 19.891 21.721 1.00 0.00 N ATOM 575 CA PRO A 37 -10.938 19.288 20.901 1.00 0.00 C ATOM 576 C PRO A 37 -11.679 18.121 21.547 1.00 0.00 C ATOM 577 O PRO A 37 -11.358 17.687 22.655 1.00 0.00 O ATOM 578 CB PRO A 37 -10.255 18.854 19.613 1.00 0.00 C ATOM 579 CG PRO A 37 -9.120 19.844 19.526 1.00 0.00 C ATOM 580 CD PRO A 37 -8.654 19.889 20.969 1.00 0.00 C ATOM 0 HA PRO A 37 -11.724 20.025 20.737 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.899 17.825 19.664 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.922 18.918 18.753 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.333 19.509 18.850 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.452 20.820 19.170 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.034 19.028 21.219 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.059 20.780 21.173 1.00 0.00 H new ATOM 588 N LEU A 38 -12.677 17.607 20.819 1.00 0.00 N ATOM 589 CA LEU A 38 -13.543 16.546 21.296 1.00 0.00 C ATOM 590 C LEU A 38 -13.942 15.677 20.114 1.00 0.00 C ATOM 591 O LEU A 38 -14.794 16.045 19.312 1.00 0.00 O ATOM 592 CB LEU A 38 -14.762 17.150 22.003 1.00 0.00 C ATOM 593 CG LEU A 38 -15.606 16.063 22.690 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.206 16.017 24.161 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.094 16.377 22.545 1.00 0.00 C ATOM 0 H LEU A 38 -12.900 17.925 19.876 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.024 15.922 22.023 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.432 17.879 22.743 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.376 17.687 21.279 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.427 15.094 22.225 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.791 15.253 24.673 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.146 15.778 24.242 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.396 16.987 24.620 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.679 15.600 23.036 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.309 17.340 23.008 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.356 16.416 21.488 1.00 0.00 H new ATOM 607 N ALA A 39 -13.293 14.524 19.989 1.00 0.00 N ATOM 608 CA ALA A 39 -13.638 13.537 18.988 1.00 0.00 C ATOM 609 C ALA A 39 -14.956 12.855 19.375 1.00 0.00 C ATOM 610 O ALA A 39 -15.142 12.498 20.540 1.00 0.00 O ATOM 611 CB ALA A 39 -12.473 12.565 18.892 1.00 0.00 C ATOM 0 H ALA A 39 -12.511 14.253 20.585 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.800 13.985 18.007 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.696 11.803 18.145 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.572 13.105 18.602 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.315 12.089 19.860 1.00 0.00 H new ATOM 617 N ILE A 40 -15.873 12.679 18.411 1.00 0.00 N ATOM 618 CA ILE A 40 -17.211 12.167 18.598 1.00 0.00 C ATOM 619 C ILE A 40 -17.506 11.201 17.439 1.00 0.00 C ATOM 620 O ILE A 40 -17.227 11.488 16.274 1.00 0.00 O ATOM 621 CB ILE A 40 -18.225 13.330 18.676 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.435 14.174 17.399 1.00 0.00 C ATOM 623 CG2 ILE A 40 -17.960 14.219 19.899 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.261 15.053 16.986 1.00 0.00 C ATOM 0 H ILE A 40 -15.677 12.906 17.436 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.299 11.626 19.540 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.180 12.816 18.787 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.668 13.500 16.575 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.307 14.811 17.546 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.690 15.028 19.926 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.046 13.623 20.808 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -16.956 14.638 19.833 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.518 15.600 16.079 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.037 15.760 17.785 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.387 14.429 16.798 1.00 0.00 H new ATOM 636 N GLU A 41 -18.032 10.032 17.789 1.00 0.00 N ATOM 637 CA GLU A 41 -18.558 8.992 16.921 1.00 0.00 C ATOM 638 C GLU A 41 -19.990 9.350 16.546 1.00 0.00 C ATOM 639 O GLU A 41 -20.839 9.453 17.425 1.00 0.00 O ATOM 640 CB GLU A 41 -18.470 7.642 17.668 1.00 0.00 C ATOM 641 CG GLU A 41 -19.382 6.518 17.147 1.00 0.00 C ATOM 642 CD GLU A 41 -18.961 5.106 17.587 1.00 0.00 C ATOM 643 OE1 GLU A 41 -18.057 4.975 18.447 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.530 4.156 17.005 1.00 0.00 O ATOM 0 H GLU A 41 -18.106 9.769 18.772 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.982 8.907 15.999 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.438 7.293 17.626 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.705 7.815 18.718 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.400 6.704 17.489 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.400 6.556 16.058 1.00 0.00 H new ATOM 651 N LEU A 42 -20.261 9.536 15.249 1.00 0.00 N ATOM 652 CA LEU A 42 -21.600 9.830 14.755 1.00 0.00 C ATOM 653 C LEU A 42 -21.903 9.027 13.499 1.00 0.00 C ATOM 654 O LEU A 42 -21.015 8.459 12.862 1.00 0.00 O ATOM 655 CB LEU A 42 -21.812 11.338 14.521 1.00 0.00 C ATOM 656 CG LEU A 42 -21.097 11.921 13.287 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.687 13.270 12.926 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.601 12.124 13.509 1.00 0.00 C ATOM 0 H LEU A 42 -19.553 9.486 14.516 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.306 9.528 15.529 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.881 11.527 14.424 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.472 11.877 15.405 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.240 11.194 12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.172 13.670 12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.747 13.155 12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.566 13.956 13.764 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.152 12.537 12.606 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.447 12.814 14.339 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.134 11.167 13.741 1.00 0.00 H new ATOM 670 N ASP A 43 -23.188 9.014 13.146 1.00 0.00 N ATOM 671 CA ASP A 43 -23.686 8.278 12.003 1.00 0.00 C ATOM 672 C ASP A 43 -23.347 9.010 10.713 1.00 0.00 C ATOM 673 O ASP A 43 -23.600 10.212 10.593 1.00 0.00 O ATOM 674 CB ASP A 43 -25.193 8.042 12.123 1.00 0.00 C ATOM 675 CG ASP A 43 -25.516 6.635 11.637 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.682 6.492 10.407 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.543 5.734 12.507 1.00 0.00 O ATOM 0 H ASP A 43 -23.912 9.521 13.655 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.198 7.304 11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.512 8.165 13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.737 8.778 11.532 1.00 0.00 H new ATOM 682 N HIS A 44 -22.806 8.262 9.747 1.00 0.00 N ATOM 683 CA HIS A 44 -22.552 8.747 8.403 1.00 0.00 C ATOM 684 C HIS A 44 -23.867 9.122 7.737 1.00 0.00 C ATOM 685 O HIS A 44 -23.951 10.202 7.173 1.00 0.00 O ATOM 686 CB HIS A 44 -21.835 7.652 7.607 1.00 0.00 C ATOM 687 CG HIS A 44 -21.573 7.963 6.149 1.00 0.00 C ATOM 688 ND1 HIS A 44 -22.524 8.220 5.182 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.350 7.965 5.531 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.881 8.396 4.017 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.558 8.241 4.176 1.00 0.00 N ATOM 0 H HIS A 44 -22.531 7.290 9.887 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.920 9.634 8.438 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.881 7.442 8.091 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.429 6.740 7.664 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -23.533 8.268 5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.396 7.786 6.005 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -22.363 8.630 3.079 1.00 0.00 H new ATOM 699 N ASP A 45 -24.875 8.243 7.773 1.00 0.00 N ATOM 700 CA ASP A 45 -26.130 8.454 7.051 1.00 0.00 C ATOM 701 C ASP A 45 -26.872 9.699 7.549 1.00 0.00 C ATOM 702 O ASP A 45 -27.431 10.451 6.747 1.00 0.00 O ATOM 703 CB ASP A 45 -27.009 7.209 7.189 1.00 0.00 C ATOM 704 CG ASP A 45 -28.188 7.267 6.218 1.00 0.00 C ATOM 705 OD1 ASP A 45 -27.924 7.133 5.002 1.00 0.00 O ATOM 706 OD2 ASP A 45 -29.325 7.453 6.703 1.00 0.00 O ATOM 0 H ASP A 45 -24.842 7.371 8.301 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.898 8.622 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.415 6.316 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.378 7.130 8.212 1.00 0.00 H new ATOM 711 N LYS A 46 -26.800 9.949 8.865 1.00 0.00 N ATOM 712 CA LYS A 46 -27.260 11.181 9.482 1.00 0.00 C ATOM 713 C LYS A 46 -26.488 12.349 8.868 1.00 0.00 C ATOM 714 O LYS A 46 -27.054 13.101 8.077 1.00 0.00 O ATOM 715 CB LYS A 46 -27.086 11.084 11.009 1.00 0.00 C ATOM 716 CG LYS A 46 -27.553 12.355 11.719 1.00 0.00 C ATOM 717 CD LYS A 46 -27.109 12.457 13.177 1.00 0.00 C ATOM 718 CE LYS A 46 -27.703 11.381 14.071 1.00 0.00 C ATOM 719 NZ LYS A 46 -26.753 10.294 14.382 1.00 0.00 N ATOM 0 H LYS A 46 -26.412 9.283 9.533 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.321 11.348 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.650 10.230 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.037 10.902 11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.176 13.221 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.641 12.402 11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.022 12.395 13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.389 13.436 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -28.041 11.837 15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -28.582 10.958 13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -27.279 9.418 14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -26.118 10.145 13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.191 10.552 15.218 1.00 0.00 H new ATOM 733 N VAL A 47 -25.209 12.519 9.235 1.00 0.00 N ATOM 734 CA VAL A 47 -24.451 13.710 8.887 1.00 0.00 C ATOM 735 C VAL A 47 -24.354 13.945 7.372 1.00 0.00 C ATOM 736 O VAL A 47 -24.203 15.078 6.934 1.00 0.00 O ATOM 737 CB VAL A 47 -23.079 13.645 9.537 1.00 0.00 C ATOM 738 CG1 VAL A 47 -22.162 12.738 8.750 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.455 15.035 9.653 1.00 0.00 C ATOM 0 H VAL A 47 -24.682 11.835 9.778 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.992 14.573 9.275 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.208 13.240 10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.184 12.704 9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.585 11.734 8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -22.055 13.121 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.474 14.956 10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.348 15.470 8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.097 15.673 10.261 1.00 0.00 H new ATOM 749 N MET A 48 -24.447 12.873 6.583 1.00 0.00 N ATOM 750 CA MET A 48 -24.561 12.898 5.136 1.00 0.00 C ATOM 751 C MET A 48 -25.680 13.862 4.766 1.00 0.00 C ATOM 752 O MET A 48 -25.389 14.879 4.164 1.00 0.00 O ATOM 753 CB MET A 48 -24.757 11.487 4.557 1.00 0.00 C ATOM 754 CG MET A 48 -25.057 11.433 3.050 1.00 0.00 C ATOM 755 SD MET A 48 -23.664 10.946 1.995 1.00 0.00 S ATOM 756 CE MET A 48 -22.604 12.396 2.197 1.00 0.00 C ATOM 0 H MET A 48 -24.444 11.925 6.959 1.00 0.00 H new ATOM 0 HA MET A 48 -23.633 13.255 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.858 10.903 4.753 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.574 11.003 5.091 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.877 10.734 2.885 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.406 12.415 2.731 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.736 12.306 1.543 1.00 0.00 H new ATOM 0 HE2 MET A 48 -23.163 13.295 1.936 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.272 12.463 3.233 1.00 0.00 H new ATOM 766 N ASN A 49 -26.922 13.625 5.188 1.00 0.00 N ATOM 767 CA ASN A 49 -28.020 14.572 4.984 1.00 0.00 C ATOM 768 C ASN A 49 -27.763 15.959 5.577 1.00 0.00 C ATOM 769 O ASN A 49 -28.358 16.929 5.108 1.00 0.00 O ATOM 770 CB ASN A 49 -29.258 13.953 5.634 1.00 0.00 C ATOM 771 CG ASN A 49 -30.525 14.805 5.597 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.857 15.437 4.597 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.256 14.817 6.710 1.00 0.00 N ATOM 0 H ASN A 49 -27.196 12.774 5.679 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.142 14.735 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.467 13.003 5.142 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -29.025 13.728 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.118 15.361 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.954 14.282 7.524 1.00 0.00 H new ATOM 780 N MET A 50 -26.892 16.084 6.583 1.00 0.00 N ATOM 781 CA MET A 50 -26.674 17.323 7.279 1.00 0.00 C ATOM 782 C MET A 50 -25.725 18.211 6.470 1.00 0.00 C ATOM 783 O MET A 50 -26.183 19.204 5.919 1.00 0.00 O ATOM 784 CB MET A 50 -26.159 16.989 8.674 1.00 0.00 C ATOM 785 CG MET A 50 -27.025 16.060 9.490 1.00 0.00 C ATOM 786 SD MET A 50 -28.584 16.775 10.044 1.00 0.00 S ATOM 787 CE MET A 50 -28.582 15.950 11.643 1.00 0.00 C ATOM 0 H MET A 50 -26.321 15.312 6.928 1.00 0.00 H new ATOM 0 HA MET A 50 -27.595 17.895 7.390 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.170 16.542 8.578 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.036 17.920 9.228 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.239 15.171 8.897 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.461 15.733 10.363 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.503 15.378 11.758 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.727 15.277 11.704 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.515 16.694 12.436 1.00 0.00 H new ATOM 797 N GLN A 51 -24.435 17.860 6.336 1.00 0.00 N ATOM 798 CA GLN A 51 -23.478 18.619 5.504 1.00 0.00 C ATOM 799 C GLN A 51 -23.854 18.659 4.019 1.00 0.00 C ATOM 800 O GLN A 51 -23.224 19.383 3.248 1.00 0.00 O ATOM 801 CB GLN A 51 -22.018 18.157 5.701 1.00 0.00 C ATOM 802 CG GLN A 51 -21.610 16.720 5.386 1.00 0.00 C ATOM 803 CD GLN A 51 -21.797 16.373 3.925 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.019 16.788 3.073 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.842 15.615 3.631 1.00 0.00 N ATOM 0 H GLN A 51 -24.025 17.048 6.797 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.547 19.644 5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.390 18.810 5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.760 18.343 6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.565 16.574 5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -22.199 16.036 5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.463 15.292 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -23.026 15.354 2.662 1.00 0.00 H new ATOM 814 N ALA A 52 -24.886 17.909 3.620 1.00 0.00 N ATOM 815 CA ALA A 52 -25.467 17.940 2.313 1.00 0.00 C ATOM 816 C ALA A 52 -26.259 19.227 2.050 1.00 0.00 C ATOM 817 O ALA A 52 -26.686 19.405 0.908 1.00 0.00 O ATOM 818 CB ALA A 52 -26.292 16.673 2.094 1.00 0.00 C ATOM 0 H ALA A 52 -25.345 17.242 4.240 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.665 17.955 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.735 16.695 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.647 15.799 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.083 16.620 2.842 1.00 0.00 H new ATOM 824 N LYS A 53 -26.417 20.145 3.030 1.00 0.00 N ATOM 825 CA LYS A 53 -26.854 21.503 2.705 1.00 0.00 C ATOM 826 C LYS A 53 -25.888 22.535 3.277 1.00 0.00 C ATOM 827 O LYS A 53 -25.150 22.251 4.219 1.00 0.00 O ATOM 828 CB LYS A 53 -28.306 21.738 3.140 1.00 0.00 C ATOM 829 CG LYS A 53 -28.527 21.715 4.659 1.00 0.00 C ATOM 830 CD LYS A 53 -28.871 20.332 5.206 1.00 0.00 C ATOM 831 CE LYS A 53 -30.323 19.930 4.934 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.620 18.596 5.493 1.00 0.00 N ATOM 0 H LYS A 53 -26.252 19.970 4.021 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.836 21.624 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.637 22.701 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.937 20.976 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.627 22.079 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.331 22.407 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.205 19.594 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.690 20.316 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.996 20.668 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.507 19.927 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.441 18.189 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.796 17.974 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.832 18.684 6.507 1.00 0.00 H new ATOM 846 N ALA A 54 -25.914 23.748 2.713 1.00 0.00 N ATOM 847 CA ALA A 54 -25.006 24.811 3.120 1.00 0.00 C ATOM 848 C ALA A 54 -25.356 25.397 4.486 1.00 0.00 C ATOM 849 O ALA A 54 -24.471 25.907 5.171 1.00 0.00 O ATOM 850 CB ALA A 54 -24.981 25.910 2.053 1.00 0.00 C ATOM 0 H ALA A 54 -26.560 24.013 1.970 1.00 0.00 H new ATOM 0 HA ALA A 54 -24.014 24.371 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.300 26.703 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.642 25.490 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.983 26.320 1.930 1.00 0.00 H new ATOM 856 N GLU A 55 -26.618 25.255 4.911 1.00 0.00 N ATOM 857 CA GLU A 55 -27.098 25.591 6.238 1.00 0.00 C ATOM 858 C GLU A 55 -26.324 24.840 7.331 1.00 0.00 C ATOM 859 O GLU A 55 -26.310 25.266 8.477 1.00 0.00 O ATOM 860 CB GLU A 55 -28.588 25.232 6.364 1.00 0.00 C ATOM 861 CG GLU A 55 -29.496 25.704 5.217 1.00 0.00 C ATOM 862 CD GLU A 55 -30.951 25.279 5.445 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.178 24.058 5.609 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.822 26.176 5.429 1.00 0.00 O ATOM 0 H GLU A 55 -27.354 24.887 4.308 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.948 26.662 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.674 24.149 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.965 25.653 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.442 26.789 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.138 25.291 4.274 1.00 0.00 H new ATOM 871 N PHE A 56 -25.666 23.726 6.999 1.00 0.00 N ATOM 872 CA PHE A 56 -24.901 22.953 7.958 1.00 0.00 C ATOM 873 C PHE A 56 -23.628 23.659 8.376 1.00 0.00 C ATOM 874 O PHE A 56 -23.306 23.753 9.558 1.00 0.00 O ATOM 875 CB PHE A 56 -24.514 21.640 7.300 1.00 0.00 C ATOM 876 CG PHE A 56 -23.671 20.689 8.123 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.263 20.684 8.053 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.329 19.706 8.865 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.534 19.656 8.685 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.605 18.652 9.442 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.217 18.611 9.328 1.00 0.00 C ATOM 0 H PHE A 56 -25.654 23.341 6.054 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.517 22.807 8.846 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.428 21.121 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -23.973 21.866 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.744 21.465 7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.400 19.757 8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.454 19.672 8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -24.125 17.870 9.976 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.666 17.775 9.734 1.00 0.00 H new ATOM 891 N TYR A 57 -22.863 24.068 7.366 1.00 0.00 N ATOM 892 CA TYR A 57 -21.563 24.657 7.609 1.00 0.00 C ATOM 893 C TYR A 57 -21.700 26.138 7.973 1.00 0.00 C ATOM 894 O TYR A 57 -20.875 26.670 8.716 1.00 0.00 O ATOM 895 CB TYR A 57 -20.644 24.417 6.398 1.00 0.00 C ATOM 896 CG TYR A 57 -20.922 25.205 5.127 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.585 26.572 5.049 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.431 24.551 3.987 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.798 27.295 3.863 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.616 25.259 2.786 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.316 26.639 2.723 1.00 0.00 C ATOM 902 OH TYR A 57 -21.519 27.328 1.563 1.00 0.00 O ATOM 0 H TYR A 57 -23.124 24.000 6.382 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.096 24.173 8.467 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.621 24.631 6.707 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.687 23.356 6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.159 27.068 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.680 23.501 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.567 28.349 3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.988 24.748 1.910 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.878 26.722 0.881 1.00 0.00 H new ATOM 912 N SER A 58 -22.753 26.786 7.459 1.00 0.00 N ATOM 913 CA SER A 58 -23.034 28.197 7.659 1.00 0.00 C ATOM 914 C SER A 58 -23.804 28.446 8.959 1.00 0.00 C ATOM 915 O SER A 58 -23.749 29.566 9.466 1.00 0.00 O ATOM 916 CB SER A 58 -23.835 28.717 6.457 1.00 0.00 C ATOM 917 OG SER A 58 -23.935 30.126 6.492 1.00 0.00 O ATOM 0 H SER A 58 -23.449 26.321 6.876 1.00 0.00 H new ATOM 0 HA SER A 58 -22.088 28.732 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.353 28.405 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.832 28.277 6.461 1.00 0.00 H new ATOM 0 HG SER A 58 -24.448 30.437 5.717 1.00 0.00 H new ATOM 923 N GLU A 59 -24.518 27.441 9.492 1.00 0.00 N ATOM 924 CA GLU A 59 -25.368 27.592 10.664 1.00 0.00 C ATOM 925 C GLU A 59 -25.069 26.431 11.615 1.00 0.00 C ATOM 926 O GLU A 59 -25.075 25.269 11.218 1.00 0.00 O ATOM 927 CB GLU A 59 -26.870 27.677 10.312 1.00 0.00 C ATOM 928 CG GLU A 59 -27.271 28.205 8.915 1.00 0.00 C ATOM 929 CD GLU A 59 -28.439 29.187 8.994 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.578 28.708 9.192 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.175 30.403 8.865 1.00 0.00 O ATOM 0 H GLU A 59 -24.515 26.495 9.111 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.141 28.542 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.294 26.679 10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.350 28.312 11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.415 28.695 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.544 27.367 8.274 1.00 0.00 H new ATOM 938 N VAL A 60 -24.776 26.769 12.873 1.00 0.00 N ATOM 939 CA VAL A 60 -24.335 25.860 13.924 1.00 0.00 C ATOM 940 C VAL A 60 -25.260 24.646 14.092 1.00 0.00 C ATOM 941 O VAL A 60 -26.481 24.744 13.957 1.00 0.00 O ATOM 942 CB VAL A 60 -24.176 26.692 15.218 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.465 27.405 15.666 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.659 25.876 16.388 1.00 0.00 C ATOM 0 H VAL A 60 -24.845 27.733 13.198 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.376 25.417 13.655 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.439 27.446 14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.271 27.967 16.580 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.794 28.088 14.883 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.244 26.666 15.853 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.569 26.516 17.266 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.354 25.064 16.600 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.682 25.462 16.139 1.00 0.00 H new ATOM 954 N LEU A 61 -24.650 23.503 14.431 1.00 0.00 N ATOM 955 CA LEU A 61 -25.291 22.228 14.652 1.00 0.00 C ATOM 956 C LEU A 61 -25.147 21.882 16.136 1.00 0.00 C ATOM 957 O LEU A 61 -24.192 22.332 16.773 1.00 0.00 O ATOM 958 CB LEU A 61 -24.523 21.176 13.850 1.00 0.00 C ATOM 959 CG LEU A 61 -24.154 21.484 12.377 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.216 20.385 11.892 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.280 21.594 11.335 1.00 0.00 C ATOM 0 H LEU A 61 -23.640 23.455 14.562 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.340 22.259 14.357 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.597 20.964 14.385 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.113 20.259 13.858 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.734 22.488 12.430 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.938 20.575 10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.319 20.372 12.512 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.719 19.420 11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.851 21.813 10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.826 20.652 11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.962 22.395 11.619 1.00 0.00 H new ATOM 973 N THR A 62 -26.024 21.025 16.671 1.00 0.00 N ATOM 974 CA THR A 62 -25.956 20.606 18.065 1.00 0.00 C ATOM 975 C THR A 62 -25.536 19.133 18.130 1.00 0.00 C ATOM 976 O THR A 62 -26.359 18.251 17.920 1.00 0.00 O ATOM 977 CB THR A 62 -27.306 20.853 18.746 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.807 22.150 18.475 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.185 20.687 20.260 1.00 0.00 C ATOM 0 H THR A 62 -26.794 20.608 16.149 1.00 0.00 H new ATOM 0 HA THR A 62 -25.209 21.191 18.602 1.00 0.00 H new ATOM 0 HB THR A 62 -27.999 20.116 18.340 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.669 22.268 18.925 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.155 20.867 20.724 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.855 19.674 20.490 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.459 21.402 20.648 1.00 0.00 H new ATOM 987 N ILE A 63 -24.264 18.833 18.392 1.00 0.00 N ATOM 988 CA ILE A 63 -23.804 17.463 18.560 1.00 0.00 C ATOM 989 C ILE A 63 -24.266 16.960 19.921 1.00 0.00 C ATOM 990 O ILE A 63 -23.778 17.419 20.948 1.00 0.00 O ATOM 991 CB ILE A 63 -22.273 17.331 18.471 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.589 18.196 17.411 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.892 15.860 18.299 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.169 18.191 16.011 1.00 0.00 C ATOM 0 H ILE A 63 -23.529 19.533 18.493 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.227 16.871 17.748 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.896 17.723 19.415 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.588 19.226 17.769 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.548 17.881 17.343 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.808 15.770 18.236 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.255 15.288 19.153 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.342 15.472 17.385 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.581 18.849 15.371 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.144 17.178 15.610 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.200 18.543 16.043 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.196 16.011 19.929 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.736 15.449 21.153 1.00 0.00 C ATOM 1008 C VAL A 64 -24.923 14.191 21.452 1.00 0.00 C ATOM 1009 O VAL A 64 -25.296 13.101 21.026 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.251 15.264 20.999 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.919 14.640 22.218 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.910 16.628 20.798 1.00 0.00 C ATOM 0 H VAL A 64 -25.596 15.611 19.080 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.639 16.097 22.024 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.382 14.596 20.148 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -28.989 14.540 22.035 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.490 13.656 22.404 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.757 15.277 23.088 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -28.987 16.499 20.688 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.706 17.261 21.662 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.507 17.098 19.901 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.770 14.364 22.117 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.845 13.300 22.474 1.00 0.00 C ATOM 1024 C VAL A 65 -23.464 12.556 23.646 1.00 0.00 C ATOM 1025 O VAL A 65 -23.422 13.052 24.767 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.408 13.813 22.746 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -20.884 14.593 21.547 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.212 14.710 23.971 1.00 0.00 C ATOM 0 H VAL A 65 -23.454 15.283 22.427 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.706 12.616 21.637 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.861 12.891 22.941 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.874 14.946 21.756 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.868 13.946 20.670 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.534 15.447 21.356 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.164 14.999 24.047 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.828 15.604 23.870 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.505 14.167 24.870 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.100 11.405 23.401 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.684 10.589 24.467 1.00 0.00 C ATOM 1040 C ASP A 66 -25.689 11.397 25.325 1.00 0.00 C ATOM 1041 O ASP A 66 -25.831 11.165 26.525 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.518 9.941 25.245 1.00 0.00 C ATOM 1043 CG ASP A 66 -23.956 8.947 26.319 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.647 7.970 25.960 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.569 9.184 27.488 1.00 0.00 O ATOM 0 H ASP A 66 -24.223 11.017 22.466 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.300 9.785 24.065 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.864 9.430 24.538 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -22.927 10.728 25.714 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.361 12.391 24.715 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.351 13.241 25.374 1.00 0.00 C ATOM 1052 C GLY A 67 -26.823 14.608 25.826 1.00 0.00 C ATOM 1053 O GLY A 67 -27.601 15.390 26.367 1.00 0.00 O ATOM 0 H GLY A 67 -26.223 12.624 23.732 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.187 13.397 24.692 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.743 12.713 26.243 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.533 14.914 25.617 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.910 16.182 25.994 1.00 0.00 C ATOM 1059 C LYS A 68 -24.772 17.028 24.742 1.00 0.00 C ATOM 1060 O LYS A 68 -24.207 16.566 23.763 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.543 15.905 26.624 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.713 15.395 28.061 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.850 14.184 28.441 1.00 0.00 C ATOM 1064 CE LYS A 68 -23.491 12.868 27.975 1.00 0.00 C ATOM 1065 NZ LYS A 68 -22.782 11.685 28.500 1.00 0.00 N ATOM 0 H LYS A 68 -24.883 14.268 25.170 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.517 16.716 26.725 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.004 15.167 26.030 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.943 16.815 26.622 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.484 16.211 28.747 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.760 15.134 28.214 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.861 14.286 27.995 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.711 14.160 29.522 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -24.532 12.839 28.298 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -23.494 12.833 26.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.239 10.821 28.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.791 11.706 28.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.815 11.693 29.539 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.308 18.246 24.765 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.654 18.990 23.561 1.00 0.00 C ATOM 1081 C GLU A 69 -24.627 20.092 23.276 1.00 0.00 C ATOM 1082 O GLU A 69 -24.576 21.083 24.004 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.085 19.528 23.729 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.063 18.459 24.246 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.512 18.852 23.954 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.964 18.553 22.826 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.133 19.469 24.846 1.00 0.00 O ATOM 0 H GLU A 69 -25.515 18.747 25.629 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.627 18.339 22.687 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.074 20.370 24.421 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.441 19.908 22.771 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.841 17.501 23.776 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.928 18.327 25.319 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.786 19.904 22.245 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.620 20.764 21.988 1.00 0.00 C ATOM 1096 C ILE A 70 -22.865 21.545 20.698 1.00 0.00 C ATOM 1097 O ILE A 70 -23.148 20.954 19.666 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.304 19.943 21.889 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.770 19.376 23.221 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.149 20.808 21.365 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.679 18.338 23.848 1.00 0.00 C ATOM 0 H ILE A 70 -23.896 19.151 21.566 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.499 21.451 22.826 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.588 19.125 21.227 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.789 18.932 23.050 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.630 20.196 23.925 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.242 20.207 21.306 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.398 21.186 20.374 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -19.986 21.646 22.042 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.239 17.985 24.781 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.653 18.783 24.052 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.800 17.499 23.163 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.659 22.862 20.723 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.710 23.709 19.544 1.00 0.00 C ATOM 1115 C LYS A 71 -21.384 23.710 18.813 1.00 0.00 C ATOM 1116 O LYS A 71 -20.351 23.994 19.416 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.118 25.140 19.928 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.605 25.330 20.235 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.522 24.527 19.301 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.744 25.292 18.829 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.727 25.510 19.906 1.00 0.00 N ATOM 0 H LYS A 71 -22.449 23.373 21.580 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.463 23.302 18.869 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.541 25.444 20.801 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.842 25.811 19.114 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.797 25.033 21.266 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.854 26.388 20.156 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.948 24.207 18.431 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.848 23.624 19.817 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.432 26.256 18.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.218 24.745 18.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.542 26.036 19.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.048 24.592 20.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.286 26.056 20.674 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.448 23.430 17.503 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.321 23.478 16.578 1.00 0.00 C ATOM 1137 C VAL A 72 -20.754 23.733 15.132 1.00 0.00 C ATOM 1138 O VAL A 72 -21.914 23.530 14.799 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.539 22.173 16.627 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -18.984 21.834 17.979 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.407 21.006 16.160 1.00 0.00 C ATOM 0 H VAL A 72 -22.319 23.155 17.049 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.697 24.312 16.899 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.693 22.331 15.958 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.442 20.890 17.924 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.305 22.623 18.302 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.801 21.742 18.695 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.829 20.083 16.203 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.279 20.919 16.808 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.733 21.183 15.135 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.824 24.111 14.245 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.122 24.396 12.835 1.00 0.00 C ATOM 1153 C LYS A 73 -18.915 24.033 11.986 1.00 0.00 C ATOM 1154 O LYS A 73 -17.786 24.319 12.375 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.510 25.872 12.599 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.330 26.767 13.831 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.673 28.231 13.616 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.756 28.945 12.611 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.346 28.972 13.057 1.00 0.00 N ATOM 0 H LYS A 73 -18.840 24.228 14.486 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.983 23.792 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.908 26.270 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -21.551 25.917 12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.951 26.378 14.638 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.295 26.697 14.164 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.704 28.305 13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.621 28.750 14.573 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.819 28.444 11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.108 29.966 12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.788 29.564 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.293 29.366 14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.964 28.005 13.058 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.174 23.401 10.839 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.166 22.706 10.048 1.00 0.00 C ATOM 1175 C ALA A 74 -17.023 23.599 9.559 1.00 0.00 C ATOM 1176 O ALA A 74 -17.231 24.793 9.339 1.00 0.00 O ATOM 1177 CB ALA A 74 -18.873 22.061 8.858 1.00 0.00 C ATOM 0 H ALA A 74 -20.108 23.359 10.430 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.693 21.966 10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.144 21.532 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.623 21.357 9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.357 22.833 8.260 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.851 22.989 9.306 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.761 23.625 8.560 1.00 0.00 C ATOM 1185 C GLN A 75 -14.210 22.746 7.424 1.00 0.00 C ATOM 1186 O GLN A 75 -13.840 23.283 6.380 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.622 24.085 9.493 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.754 25.554 9.926 1.00 0.00 C ATOM 1189 CD GLN A 75 -13.389 26.576 8.840 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -13.692 26.413 7.663 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -12.734 27.665 9.236 1.00 0.00 N ATOM 0 H GLN A 75 -15.637 22.041 9.615 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.201 24.506 8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.608 23.451 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.667 23.946 8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.780 25.734 10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.116 25.722 10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.490 27.784 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.476 28.380 8.556 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.167 21.417 7.592 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.605 20.466 6.640 1.00 0.00 C ATOM 1202 C ASP A 76 -14.411 19.186 6.787 1.00 0.00 C ATOM 1203 O ASP A 76 -14.152 18.344 7.646 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.083 20.265 6.834 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.551 18.931 6.278 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.769 18.697 5.069 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.930 18.157 7.051 1.00 0.00 O ATOM 0 H ASP A 76 -14.538 20.964 8.427 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.684 20.839 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.554 21.086 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.852 20.321 7.898 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.437 19.082 5.942 1.00 0.00 N ATOM 1213 CA VAL A 77 -16.043 17.812 5.602 1.00 0.00 C ATOM 1214 C VAL A 77 -15.189 17.235 4.463 1.00 0.00 C ATOM 1215 O VAL A 77 -14.751 17.947 3.558 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.539 17.973 5.240 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.388 18.571 6.379 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.742 18.858 4.019 1.00 0.00 C ATOM 0 H VAL A 77 -15.866 19.883 5.478 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.052 17.122 6.446 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.871 16.954 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.425 18.655 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.333 17.922 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.007 19.559 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.807 18.942 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.333 19.849 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.232 18.418 3.162 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.970 15.928 4.523 1.00 0.00 N ATOM 1229 CA GLN A 78 -14.129 15.140 3.637 1.00 0.00 C ATOM 1230 C GLN A 78 -15.054 14.126 2.981 1.00 0.00 C ATOM 1231 O GLN A 78 -15.587 13.247 3.660 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.987 14.433 4.396 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.981 15.380 5.075 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.830 14.633 5.766 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.514 13.495 5.427 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -10.178 15.263 6.744 1.00 0.00 N ATOM 0 H GLN A 78 -15.407 15.352 5.243 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.640 15.779 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.422 13.783 5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.448 13.792 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.570 16.061 4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.504 15.991 5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.452 16.208 7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.405 14.800 7.222 1.00 0.00 H new ATOM 1245 N ARG A 79 -15.291 14.287 1.677 1.00 0.00 N ATOM 1246 CA ARG A 79 -16.105 13.367 0.890 1.00 0.00 C ATOM 1247 C ARG A 79 -15.293 12.109 0.569 1.00 0.00 C ATOM 1248 O ARG A 79 -14.066 12.124 0.677 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.578 14.056 -0.403 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.503 15.262 -0.160 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.886 14.838 0.354 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.735 15.990 0.692 1.00 0.00 N ATOM 1253 CZ ARG A 79 -20.388 16.814 -0.142 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -20.289 16.688 -1.470 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -21.156 17.775 0.379 1.00 0.00 N ATOM 0 H ARG A 79 -14.919 15.067 1.136 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.985 13.078 1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.706 14.386 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.101 13.327 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.039 15.934 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.618 15.822 -1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.383 14.234 -0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.766 14.208 1.235 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.841 16.188 1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.707 15.952 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.796 17.327 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.237 17.871 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.662 18.413 -0.236 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.962 11.036 0.121 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.286 9.920 -0.516 1.00 0.00 C ATOM 1271 C HIS A 80 -14.544 10.394 -1.780 1.00 0.00 C ATOM 1272 O HIS A 80 -14.926 11.397 -2.386 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.306 8.828 -0.847 1.00 0.00 C ATOM 1274 CG HIS A 80 -16.153 7.576 -0.022 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.232 7.463 1.350 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.923 6.327 -0.529 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.045 6.165 1.652 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -15.856 5.435 0.541 1.00 0.00 N ATOM 0 H HIS A 80 -16.974 10.927 0.193 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.544 9.506 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.310 9.227 -0.701 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.216 8.569 -1.902 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -16.401 8.221 2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.813 6.076 -1.574 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.047 5.764 2.655 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.506 9.658 -2.212 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.588 10.098 -3.255 1.00 0.00 C ATOM 1288 C PRO A 81 -13.142 9.882 -4.671 1.00 0.00 C ATOM 1289 O PRO A 81 -12.617 10.454 -5.624 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.327 9.259 -3.021 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.882 7.936 -2.491 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.107 8.365 -1.682 1.00 0.00 C ATOM 0 HA PRO A 81 -12.406 11.171 -3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.760 9.118 -3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.657 9.731 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.153 7.260 -3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.153 7.414 -1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.913 7.638 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.868 8.435 -0.621 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.186 9.051 -4.809 1.00 0.00 N ATOM 1301 CA TYR A 82 -14.802 8.692 -6.083 1.00 0.00 C ATOM 1302 C TYR A 82 -16.310 8.414 -5.943 1.00 0.00 C ATOM 1303 O TYR A 82 -16.942 7.975 -6.903 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.053 7.482 -6.675 1.00 0.00 C ATOM 1305 CG TYR A 82 -13.882 7.549 -8.179 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -12.839 8.326 -8.719 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -14.748 6.844 -9.037 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -12.651 8.397 -10.110 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -14.567 6.908 -10.431 1.00 0.00 C ATOM 1310 CZ TYR A 82 -13.516 7.685 -10.974 1.00 0.00 C ATOM 1311 OH TYR A 82 -13.340 7.750 -12.326 1.00 0.00 O ATOM 0 H TYR A 82 -14.633 8.600 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.718 9.538 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.070 7.411 -6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.594 6.571 -6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.179 8.871 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.552 6.253 -8.624 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.848 8.993 -10.518 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.230 6.364 -11.087 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.019 7.202 -12.771 1.00 0.00 H new ATOM 1321 N LYS A 83 -16.884 8.633 -4.749 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.290 8.401 -4.431 1.00 0.00 C ATOM 1323 C LYS A 83 -18.832 9.621 -3.669 1.00 0.00 C ATOM 1324 O LYS A 83 -18.047 10.342 -3.053 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.439 7.104 -3.603 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.170 5.823 -4.413 1.00 0.00 C ATOM 1327 CD LYS A 83 -16.725 5.316 -4.301 1.00 0.00 C ATOM 1328 CE LYS A 83 -16.479 4.240 -5.359 1.00 0.00 C ATOM 1329 NZ LYS A 83 -15.102 3.710 -5.291 1.00 0.00 N ATOM 0 H LYS A 83 -16.356 8.990 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.868 8.273 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.751 7.141 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.447 7.059 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.848 5.040 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.400 6.011 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.027 6.142 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.547 4.910 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.190 3.425 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.660 4.656 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.973 2.983 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.424 4.483 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.938 3.290 -4.354 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.161 9.843 -3.645 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.786 10.978 -2.959 1.00 0.00 C ATOM 1345 C PRO A 84 -20.824 10.824 -1.423 1.00 0.00 C ATOM 1346 O PRO A 84 -21.594 11.520 -0.764 1.00 0.00 O ATOM 1347 CB PRO A 84 -22.189 11.074 -3.578 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.521 9.624 -3.915 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.171 9.071 -4.362 1.00 0.00 C ATOM 0 HA PRO A 84 -20.210 11.893 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.909 11.500 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.195 11.705 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.914 9.087 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.270 9.552 -4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.088 8.009 -4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.046 9.172 -5.440 1.00 0.00 H new ATOM 1357 N LYS A 85 -20.035 9.902 -0.848 1.00 0.00 N ATOM 1358 CA LYS A 85 -20.026 9.558 0.573 1.00 0.00 C ATOM 1359 C LYS A 85 -19.140 10.531 1.361 1.00 0.00 C ATOM 1360 O LYS A 85 -18.702 11.545 0.822 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.564 8.091 0.686 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.695 7.067 0.683 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.743 7.230 -0.430 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.775 6.097 -0.409 1.00 0.00 C ATOM 1365 NZ LYS A 85 -23.640 6.145 0.790 1.00 0.00 N ATOM 0 H LYS A 85 -19.361 9.357 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 85 -21.019 9.651 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.890 7.871 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.989 7.975 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.258 6.072 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -21.205 7.114 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -22.251 8.187 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -21.244 7.250 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -23.395 6.157 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.258 5.138 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.364 5.401 0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.062 5.993 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.103 7.075 0.847 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.888 10.224 2.638 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.975 10.923 3.535 1.00 0.00 C ATOM 1381 C LEU A 86 -16.871 9.970 4.000 1.00 0.00 C ATOM 1382 O LEU A 86 -16.988 8.748 3.894 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.752 11.480 4.742 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.689 12.652 4.395 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.795 12.748 5.453 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.940 13.987 4.294 1.00 0.00 C ATOM 0 H LEU A 86 -19.345 9.435 3.095 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.514 11.756 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.340 10.676 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -18.040 11.809 5.499 1.00 0.00 H new ATOM 0 HG LEU A 86 -20.122 12.454 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.460 13.577 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.364 11.819 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.348 12.917 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.644 14.782 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.462 14.209 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.181 13.920 3.515 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.807 10.567 4.536 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.665 9.938 5.178 1.00 0.00 C ATOM 1400 C GLN A 87 -14.447 10.518 6.578 1.00 0.00 C ATOM 1401 O GLN A 87 -14.057 9.776 7.477 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.416 10.157 4.310 1.00 0.00 C ATOM 1403 CG GLN A 87 -13.526 9.381 2.994 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.182 9.265 2.275 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -11.961 9.898 1.248 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.276 8.442 2.801 1.00 0.00 N ATOM 0 H GLN A 87 -15.719 11.583 4.529 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.855 8.870 5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.294 11.220 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.528 9.835 4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.915 8.383 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.243 9.878 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.489 7.929 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.369 8.325 2.348 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.708 11.822 6.767 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.472 12.548 8.011 1.00 0.00 C ATOM 1417 C HIS A 88 -15.069 13.928 7.920 1.00 0.00 C ATOM 1418 O HIS A 88 -15.295 14.449 6.831 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.977 12.671 8.311 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.671 13.413 9.589 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -12.107 14.665 9.711 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.905 12.943 10.851 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.981 14.907 11.030 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.458 13.894 11.763 1.00 0.00 N ATOM 0 H HIS A 88 -15.100 12.411 6.033 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.944 11.986 8.817 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.544 11.672 8.369 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.490 13.181 7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.359 11.995 11.098 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.549 15.806 11.444 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.488 13.832 12.781 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.339 14.499 9.091 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.867 15.826 9.257 1.00 0.00 C ATOM 1434 C ILE A 89 -15.253 16.392 10.530 1.00 0.00 C ATOM 1435 O ILE A 89 -15.018 15.670 11.495 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.410 15.769 9.313 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.974 15.182 8.000 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.927 17.192 9.558 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.464 14.936 7.994 1.00 0.00 C ATOM 0 H ILE A 89 -15.185 14.020 9.978 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.615 16.477 8.420 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.740 15.118 10.122 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.731 15.861 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.465 14.240 7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -19.016 17.181 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.529 17.566 10.501 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.603 17.842 8.745 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.761 14.524 7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.719 14.230 8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.989 15.876 8.164 1.00 0.00 H new ATOM 1451 N ASP A 90 -15.069 17.707 10.549 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.787 18.456 11.758 1.00 0.00 C ATOM 1453 C ASP A 90 -15.803 19.583 11.916 1.00 0.00 C ATOM 1454 O ASP A 90 -16.459 19.988 10.953 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.341 18.960 11.756 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.956 19.881 10.612 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.755 20.778 10.269 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.807 19.710 10.151 1.00 0.00 O ATOM 0 H ASP A 90 -15.113 18.287 9.711 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.886 17.803 12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.159 19.484 12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.677 18.096 11.739 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.915 20.090 13.146 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.740 21.222 13.506 1.00 0.00 C ATOM 1465 C PHE A 91 -15.905 22.105 14.440 1.00 0.00 C ATOM 1466 O PHE A 91 -15.169 21.562 15.262 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.994 20.673 14.203 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.578 19.353 13.727 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.512 19.321 12.678 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.259 18.161 14.402 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.124 18.105 12.331 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -18.855 16.948 14.032 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.788 16.916 12.999 1.00 0.00 C ATOM 0 H PHE A 91 -15.410 19.701 13.942 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.055 21.816 12.648 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.763 20.568 15.263 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.775 21.429 14.120 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.758 20.226 12.142 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.547 18.181 15.214 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -20.861 18.084 11.542 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.590 16.037 14.549 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.250 15.983 12.713 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.003 23.441 14.353 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.322 24.309 15.319 1.00 0.00 C ATOM 1485 C VAL A 92 -16.269 24.573 16.490 1.00 0.00 C ATOM 1486 O VAL A 92 -17.477 24.643 16.273 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.713 25.597 14.707 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.353 25.443 13.224 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.594 26.851 14.831 1.00 0.00 C ATOM 0 H VAL A 92 -16.537 23.934 13.637 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.440 23.784 15.686 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.816 25.739 15.310 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.932 26.377 12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.621 24.644 13.108 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.250 25.199 12.655 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.085 27.700 14.375 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.543 26.681 14.322 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.780 27.062 15.884 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.720 24.755 17.699 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.422 25.067 18.943 1.00 0.00 C ATOM 1501 C ARG A 93 -17.229 26.358 18.775 1.00 0.00 C ATOM 1502 O ARG A 93 -16.694 27.457 18.924 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.413 25.225 20.100 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.750 23.936 20.607 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.676 23.070 21.463 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.904 21.997 22.114 1.00 0.00 N ATOM 1507 CZ ARG A 93 -15.174 21.415 23.292 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -16.352 21.608 23.889 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -14.244 20.664 23.894 1.00 0.00 N ATOM 0 H ARG A 93 -14.712 24.683 17.839 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.101 24.248 19.179 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.628 25.909 19.778 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.925 25.699 20.938 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.407 23.353 19.752 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.867 24.196 21.190 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.168 23.684 22.217 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.461 22.639 20.842 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.079 21.662 21.617 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -17.055 22.202 23.450 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -16.549 21.162 24.785 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.331 20.535 23.457 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.448 20.221 24.790 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.508 26.206 18.427 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.449 27.313 18.288 1.00 0.00 C ATOM 1525 C ALA A 94 -19.910 27.843 19.647 1.00 0.00 C ATOM 1526 O ALA A 94 -20.236 27.008 20.520 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.633 26.843 17.462 1.00 0.00 C ATOM 1528 OXT ALA A 94 -19.974 29.084 19.770 1.00 0.00 O ATOM 0 H ALA A 94 -18.923 25.295 18.231 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.949 28.140 17.784 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.345 27.660 17.349 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.287 26.525 16.478 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.118 26.006 17.964 1.00 0.00 H new