USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 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 62 THR OG1 : rot 165:sc= 0.493 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 175:sc= 0.532 (180deg=0) USER MOD Set 2.1: A 48 MET CE :methyl -178:sc= -1.8 (180deg=-1.82) USER MOD Set 2.2: A 51 GLN : amide:sc= 0.342 K(o=-1.5,f=-11!) USER MOD Set 3.1: A 10 LYS NZ :NH3+ -125:sc= 0.433 (180deg=0) USER MOD Set 3.2: A 12 GLN : amide:sc= -0.231 K(o=0.2,f=-2.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.383 F(o=-2.3!,f=-0.38) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= -0.0276 (180deg=-0.222) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 136:sc= 2.19 (180deg=0.162) USER MOD Single : A 31 TYR OH : rot -171:sc= 0.663 USER MOD Single : A 44 HIS : no HE2:sc= -0.56 K(o=-0.56,f=-7.3!) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0.0262 (180deg=0.0189) USER MOD Single : A 49 ASN : amide:sc=-0.00175 X(o=-0.0017,f=-0.014) USER MOD Single : A 50 MET CE :methyl -152:sc= -0.731 (180deg=-3.77) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.842) 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.292 (180deg=-1.16) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 80 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.7!) USER MOD Single : A 88 HIS : no HD1:sc= -0.855 X(o=-0.85,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -31.418 20.388 13.150 1.00 0.00 N ATOM 21 CA PHE A 2 -30.884 19.223 12.440 1.00 0.00 C ATOM 22 C PHE A 2 -30.354 18.175 13.433 1.00 0.00 C ATOM 23 O PHE A 2 -30.900 17.076 13.495 1.00 0.00 O ATOM 24 CB PHE A 2 -29.805 19.629 11.413 1.00 0.00 C ATOM 25 CG PHE A 2 -29.932 20.991 10.745 1.00 0.00 C ATOM 26 CD1 PHE A 2 -31.091 21.357 10.032 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.852 21.890 10.815 1.00 0.00 C ATOM 28 CE1 PHE A 2 -31.166 22.620 9.411 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.925 23.150 10.199 1.00 0.00 C ATOM 30 CZ PHE A 2 -30.085 23.517 9.500 1.00 0.00 C ATOM 0 HA PHE A 2 -31.702 18.769 11.880 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.837 19.591 11.913 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -29.789 18.872 10.629 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -31.921 20.670 9.961 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -27.956 21.608 11.349 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -32.055 22.900 8.866 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.092 23.834 10.263 1.00 0.00 H new ATOM 0 HZ PHE A 2 -30.148 24.487 9.030 1.00 0.00 H new ATOM 40 N THR A 3 -29.358 18.566 14.247 1.00 0.00 N ATOM 41 CA THR A 3 -28.823 17.870 15.422 1.00 0.00 C ATOM 42 C THR A 3 -28.132 16.532 15.092 1.00 0.00 C ATOM 43 O THR A 3 -28.745 15.605 14.555 1.00 0.00 O ATOM 44 CB THR A 3 -29.919 17.673 16.479 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.743 18.816 16.620 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.306 17.331 17.837 1.00 0.00 C ATOM 0 H THR A 3 -28.870 19.447 14.084 1.00 0.00 H new ATOM 0 HA THR A 3 -28.043 18.515 15.826 1.00 0.00 H new ATOM 0 HB THR A 3 -30.538 16.846 16.131 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.426 18.645 17.301 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.100 17.196 18.571 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.728 16.411 17.754 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.652 18.143 18.156 1.00 0.00 H new ATOM 54 N ILE A 4 -26.840 16.428 15.432 1.00 0.00 N ATOM 55 CA ILE A 4 -25.953 15.378 14.945 1.00 0.00 C ATOM 56 C ILE A 4 -25.509 14.509 16.118 1.00 0.00 C ATOM 57 O ILE A 4 -24.424 14.673 16.663 1.00 0.00 O ATOM 58 CB ILE A 4 -24.797 15.912 14.051 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.786 17.419 13.731 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.762 15.111 12.744 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.947 17.965 12.891 1.00 0.00 C ATOM 0 H ILE A 4 -26.381 17.084 16.063 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.506 14.737 14.259 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.904 15.771 14.659 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.766 17.965 14.674 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.856 17.647 13.211 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.954 15.480 12.113 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.595 14.057 12.967 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.712 15.225 12.222 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.815 19.036 12.741 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.964 17.462 11.924 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.888 17.785 13.410 1.00 0.00 H new ATOM 73 N ASN A 5 -26.390 13.598 16.539 1.00 0.00 N ATOM 74 CA ASN A 5 -26.180 12.766 17.712 1.00 0.00 C ATOM 75 C ASN A 5 -24.908 11.939 17.508 1.00 0.00 C ATOM 76 O ASN A 5 -24.779 11.247 16.496 1.00 0.00 O ATOM 77 CB ASN A 5 -27.407 11.883 17.997 1.00 0.00 C ATOM 78 CG ASN A 5 -28.682 12.626 18.424 1.00 0.00 C ATOM 79 OD1 ASN A 5 -28.867 13.885 18.024 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.518 12.058 19.117 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.276 13.420 16.066 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.050 13.397 18.591 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.630 11.304 17.101 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.145 11.171 18.780 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.364 11.095 19.416 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.368 12.548 19.395 1.00 0.00 H new ATOM 87 N ALA A 6 -23.964 12.063 18.450 1.00 0.00 N ATOM 88 CA ALA A 6 -22.644 11.452 18.396 1.00 0.00 C ATOM 89 C ALA A 6 -22.320 10.776 19.732 1.00 0.00 C ATOM 90 O ALA A 6 -23.218 10.547 20.541 1.00 0.00 O ATOM 91 CB ALA A 6 -21.587 12.488 18.000 1.00 0.00 C ATOM 0 H ALA A 6 -24.111 12.612 19.297 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.638 10.679 17.628 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.607 12.013 17.965 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.828 12.896 17.018 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.574 13.293 18.735 1.00 0.00 H new ATOM 97 N GLU A 7 -21.046 10.419 19.941 1.00 0.00 N ATOM 98 CA GLU A 7 -20.574 9.556 21.020 1.00 0.00 C ATOM 99 C GLU A 7 -19.125 9.859 21.320 1.00 0.00 C ATOM 100 O GLU A 7 -18.252 9.533 20.528 1.00 0.00 O ATOM 101 CB GLU A 7 -20.619 8.079 20.601 1.00 0.00 C ATOM 102 CG GLU A 7 -22.059 7.651 20.548 1.00 0.00 C ATOM 103 CD GLU A 7 -22.249 6.152 20.306 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.944 5.375 21.236 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.694 5.796 19.191 1.00 0.00 O ATOM 0 H GLU A 7 -20.290 10.739 19.336 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.217 9.736 21.882 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.146 7.945 19.628 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -20.066 7.465 21.311 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -22.544 7.923 21.486 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.564 8.204 19.756 1.00 0.00 H new ATOM 112 N VAL A 8 -18.853 10.472 22.461 1.00 0.00 N ATOM 113 CA VAL A 8 -17.506 10.863 22.838 1.00 0.00 C ATOM 114 C VAL A 8 -16.569 9.657 22.801 1.00 0.00 C ATOM 115 O VAL A 8 -16.732 8.700 23.558 1.00 0.00 O ATOM 116 CB VAL A 8 -17.548 11.554 24.210 1.00 0.00 C ATOM 117 CG1 VAL A 8 -18.427 12.799 24.127 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.210 10.704 25.307 1.00 0.00 C ATOM 0 H VAL A 8 -19.563 10.713 23.153 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.104 11.580 22.122 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.506 11.753 24.459 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.457 13.289 25.100 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.016 13.486 23.387 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.437 12.512 23.834 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.204 11.255 26.247 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.239 10.481 25.023 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.657 9.773 25.429 1.00 0.00 H new ATOM 128 N ARG A 9 -15.626 9.687 21.856 1.00 0.00 N ATOM 129 CA ARG A 9 -14.774 8.529 21.585 1.00 0.00 C ATOM 130 C ARG A 9 -13.317 8.903 21.630 1.00 0.00 C ATOM 131 O ARG A 9 -12.942 9.936 21.086 1.00 0.00 O ATOM 132 CB ARG A 9 -15.130 7.858 20.266 1.00 0.00 C ATOM 133 CG ARG A 9 -15.106 8.799 19.061 1.00 0.00 C ATOM 134 CD ARG A 9 -14.242 8.259 17.927 1.00 0.00 C ATOM 135 NE ARG A 9 -13.927 9.363 17.028 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.823 9.464 16.272 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.091 8.377 16.012 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.449 10.652 15.785 1.00 0.00 N ATOM 0 H ARG A 9 -15.434 10.498 21.268 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.958 7.802 22.376 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.433 7.039 20.088 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.124 7.419 20.351 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.123 8.951 18.700 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.729 9.774 19.371 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.327 7.819 18.323 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.769 7.470 17.390 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.604 10.124 16.969 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.372 7.471 16.388 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.252 8.453 15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.003 11.484 15.988 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.609 10.726 15.211 1.00 0.00 H new ATOM 152 N LYS A 10 -12.494 8.032 22.222 1.00 0.00 N ATOM 153 CA LYS A 10 -11.057 8.245 22.280 1.00 0.00 C ATOM 154 C LYS A 10 -10.255 7.058 21.734 1.00 0.00 C ATOM 155 O LYS A 10 -9.027 7.103 21.722 1.00 0.00 O ATOM 156 CB LYS A 10 -10.646 8.627 23.711 1.00 0.00 C ATOM 157 CG LYS A 10 -11.206 9.970 24.227 1.00 0.00 C ATOM 158 CD LYS A 10 -10.434 11.214 23.745 1.00 0.00 C ATOM 159 CE LYS A 10 -10.904 11.747 22.387 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.908 12.653 21.778 1.00 0.00 N ATOM 0 H LYS A 10 -12.807 7.170 22.668 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.812 9.076 21.619 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.969 7.835 24.387 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.558 8.664 23.760 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.246 10.060 23.913 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.202 9.956 25.317 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.535 12.004 24.489 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.374 10.970 23.682 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.094 10.911 21.714 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.849 12.276 22.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.357 13.564 21.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.125 12.806 22.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.540 12.227 20.904 1.00 0.00 H new ATOM 174 N GLU A 11 -10.943 6.034 21.224 1.00 0.00 N ATOM 175 CA GLU A 11 -10.400 4.762 20.748 1.00 0.00 C ATOM 176 C GLU A 11 -9.711 4.880 19.371 1.00 0.00 C ATOM 177 O GLU A 11 -9.558 3.862 18.695 1.00 0.00 O ATOM 178 CB GLU A 11 -11.539 3.714 20.677 1.00 0.00 C ATOM 179 CG GLU A 11 -12.678 3.836 21.707 1.00 0.00 C ATOM 180 CD GLU A 11 -12.221 3.914 23.163 1.00 0.00 C ATOM 181 OE1 GLU A 11 -11.881 2.845 23.713 1.00 0.00 O ATOM 182 OE2 GLU A 11 -12.264 5.043 23.705 1.00 0.00 O ATOM 0 H GLU A 11 -11.958 6.075 21.127 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.634 4.449 21.458 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.979 3.761 19.681 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.094 2.725 20.782 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.263 4.726 21.477 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.343 2.980 21.595 1.00 0.00 H new ATOM 189 N GLN A 12 -9.378 6.108 18.934 1.00 0.00 N ATOM 190 CA GLN A 12 -9.135 6.493 17.541 1.00 0.00 C ATOM 191 C GLN A 12 -8.310 5.467 16.757 1.00 0.00 C ATOM 192 O GLN A 12 -8.872 4.793 15.894 1.00 0.00 O ATOM 193 CB GLN A 12 -8.600 7.934 17.365 1.00 0.00 C ATOM 194 CG GLN A 12 -8.420 8.904 18.536 1.00 0.00 C ATOM 195 CD GLN A 12 -9.711 9.524 19.095 1.00 0.00 C ATOM 196 OE1 GLN A 12 -9.679 10.603 19.681 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.866 8.876 18.959 1.00 0.00 N ATOM 0 H GLN A 12 -9.267 6.892 19.577 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.128 6.494 17.092 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.626 7.846 16.883 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.264 8.426 16.654 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.912 8.378 19.344 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.760 9.711 18.217 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.894 7.980 18.473 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.723 9.276 19.341 1.00 0.00 H new ATOM 206 N GLY A 13 -7.024 5.357 17.126 1.00 0.00 N ATOM 207 CA GLY A 13 -5.957 4.470 16.654 1.00 0.00 C ATOM 208 C GLY A 13 -6.279 3.663 15.398 1.00 0.00 C ATOM 209 O GLY A 13 -5.800 3.953 14.309 1.00 0.00 O ATOM 0 H GLY A 13 -6.666 5.970 17.858 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.068 5.071 16.461 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.704 3.776 17.456 1.00 0.00 H new ATOM 213 N LYS A 14 -7.086 2.612 15.547 1.00 0.00 N ATOM 214 CA LYS A 14 -7.822 2.021 14.430 1.00 0.00 C ATOM 215 C LYS A 14 -9.063 1.284 14.947 1.00 0.00 C ATOM 216 O LYS A 14 -9.995 1.062 14.174 1.00 0.00 O ATOM 217 CB LYS A 14 -6.888 1.110 13.603 1.00 0.00 C ATOM 218 CG LYS A 14 -6.992 1.088 12.069 1.00 0.00 C ATOM 219 CD LYS A 14 -7.131 2.462 11.390 1.00 0.00 C ATOM 220 CE LYS A 14 -7.009 2.361 9.862 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.676 1.914 9.414 1.00 0.00 N ATOM 0 H LYS A 14 -7.247 2.149 16.441 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.174 2.807 13.762 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.863 1.384 13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.040 0.089 13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.106 0.594 11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.850 0.477 11.790 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.095 2.899 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.363 3.135 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.762 1.667 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.226 3.334 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.569 2.105 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.942 2.428 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.576 0.893 9.586 1.00 0.00 H new ATOM 235 N GLY A 15 -9.097 0.967 16.255 1.00 0.00 N ATOM 236 CA GLY A 15 -10.214 0.368 16.967 1.00 0.00 C ATOM 237 C GLY A 15 -11.509 1.165 16.815 1.00 0.00 C ATOM 238 O GLY A 15 -12.546 0.548 16.577 1.00 0.00 O ATOM 0 H GLY A 15 -8.297 1.136 16.865 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.372 -0.646 16.599 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.964 0.288 18.025 1.00 0.00 H new ATOM 242 N ALA A 16 -11.465 2.507 16.906 1.00 0.00 N ATOM 243 CA ALA A 16 -12.629 3.351 16.631 1.00 0.00 C ATOM 244 C ALA A 16 -13.063 3.194 15.174 1.00 0.00 C ATOM 245 O ALA A 16 -14.229 2.945 14.882 1.00 0.00 O ATOM 246 CB ALA A 16 -12.356 4.830 16.909 1.00 0.00 C ATOM 0 H ALA A 16 -10.628 3.027 17.170 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.422 3.020 17.302 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.251 5.413 16.689 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.087 4.960 17.957 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.536 5.173 16.279 1.00 0.00 H new ATOM 252 N SER A 17 -12.113 3.324 14.248 1.00 0.00 N ATOM 253 CA SER A 17 -12.390 3.410 12.818 1.00 0.00 C ATOM 254 C SER A 17 -13.059 2.140 12.269 1.00 0.00 C ATOM 255 O SER A 17 -13.672 2.193 11.202 1.00 0.00 O ATOM 256 CB SER A 17 -11.092 3.738 12.073 1.00 0.00 C ATOM 257 OG SER A 17 -10.555 4.949 12.570 1.00 0.00 O ATOM 0 H SER A 17 -11.120 3.373 14.474 1.00 0.00 H new ATOM 0 HA SER A 17 -13.109 4.212 12.655 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.373 2.929 12.201 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.286 3.826 11.004 1.00 0.00 H new ATOM 0 HG SER A 17 -9.724 5.158 12.095 1.00 0.00 H new ATOM 263 N ARG A 18 -13.001 1.026 13.018 1.00 0.00 N ATOM 264 CA ARG A 18 -13.628 -0.240 12.669 1.00 0.00 C ATOM 265 C ARG A 18 -14.951 -0.492 13.396 1.00 0.00 C ATOM 266 O ARG A 18 -15.800 -1.142 12.801 1.00 0.00 O ATOM 267 CB ARG A 18 -12.627 -1.407 12.774 1.00 0.00 C ATOM 268 CG ARG A 18 -12.039 -1.749 14.153 1.00 0.00 C ATOM 269 CD ARG A 18 -12.992 -2.359 15.186 1.00 0.00 C ATOM 270 NE ARG A 18 -13.799 -3.445 14.609 1.00 0.00 N ATOM 271 CZ ARG A 18 -14.068 -4.611 15.210 1.00 0.00 C ATOM 272 NH1 ARG A 18 -13.869 -4.765 16.523 1.00 0.00 N ATOM 273 NH2 ARG A 18 -14.516 -5.632 14.475 1.00 0.00 N ATOM 0 H ARG A 18 -12.500 0.990 13.906 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.917 -0.170 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.120 -2.301 12.393 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.795 -1.191 12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.211 -2.443 14.005 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.619 -0.837 14.577 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.417 -2.742 16.030 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.651 -1.583 15.575 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.185 -3.298 13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.508 -3.989 17.079 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.078 -5.658 16.969 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.649 -5.517 13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.725 -6.526 14.918 1.00 0.00 H new ATOM 287 N ARG A 19 -15.186 0.035 14.611 1.00 0.00 N ATOM 288 CA ARG A 19 -16.507 -0.055 15.261 1.00 0.00 C ATOM 289 C ARG A 19 -17.495 0.868 14.544 1.00 0.00 C ATOM 290 O ARG A 19 -18.662 0.521 14.359 1.00 0.00 O ATOM 291 CB ARG A 19 -16.452 0.263 16.775 1.00 0.00 C ATOM 292 CG ARG A 19 -15.767 1.599 17.093 1.00 0.00 C ATOM 293 CD ARG A 19 -15.785 2.078 18.540 1.00 0.00 C ATOM 294 NE ARG A 19 -15.184 1.106 19.467 1.00 0.00 N ATOM 295 CZ ARG A 19 -15.191 1.211 20.805 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.867 2.195 21.411 1.00 0.00 N ATOM 297 NH2 ARG A 19 -14.498 0.333 21.539 1.00 0.00 N ATOM 0 H ARG A 19 -14.481 0.526 15.161 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.846 -1.088 15.179 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.467 0.280 17.172 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.922 -0.540 17.288 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.726 1.526 16.777 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.233 2.369 16.479 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.247 3.023 18.612 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.814 2.273 18.841 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.727 0.289 19.061 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.385 2.876 20.855 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.864 2.264 22.429 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.969 -0.410 21.081 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.498 0.406 22.556 1.00 0.00 H new ATOM 311 N LEU A 20 -17.004 2.031 14.108 1.00 0.00 N ATOM 312 CA LEU A 20 -17.764 3.020 13.393 1.00 0.00 C ATOM 313 C LEU A 20 -18.170 2.471 12.037 1.00 0.00 C ATOM 314 O LEU A 20 -19.372 2.363 11.794 1.00 0.00 O ATOM 315 CB LEU A 20 -16.938 4.305 13.313 1.00 0.00 C ATOM 316 CG LEU A 20 -17.107 5.121 14.615 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.815 5.428 15.369 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.672 6.482 14.257 1.00 0.00 C ATOM 0 H LEU A 20 -16.033 2.305 14.256 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.691 3.262 13.912 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.886 4.063 13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.257 4.900 12.457 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.740 4.501 15.250 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.045 6.004 16.266 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.328 4.495 15.652 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.148 6.005 14.728 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.799 7.073 15.164 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.986 6.995 13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.638 6.358 13.767 1.00 0.00 H new ATOM 330 N ARG A 21 -17.205 2.063 11.192 1.00 0.00 N ATOM 331 CA ARG A 21 -17.545 1.480 9.896 1.00 0.00 C ATOM 332 C ARG A 21 -18.417 0.230 10.041 1.00 0.00 C ATOM 333 O ARG A 21 -19.235 -0.035 9.161 1.00 0.00 O ATOM 334 CB ARG A 21 -16.291 1.249 9.027 1.00 0.00 C ATOM 335 CG ARG A 21 -15.711 -0.178 9.082 1.00 0.00 C ATOM 336 CD ARG A 21 -14.425 -0.314 8.261 1.00 0.00 C ATOM 337 NE ARG A 21 -13.256 0.251 8.957 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.191 -0.432 9.413 1.00 0.00 C ATOM 339 NH1 ARG A 21 -12.135 -1.763 9.307 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.187 0.231 9.996 1.00 0.00 N ATOM 0 H ARG A 21 -16.205 2.127 11.384 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.155 2.207 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.537 1.485 7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.518 1.951 9.339 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.508 -0.446 10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.453 -0.884 8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.243 -1.367 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.553 0.189 7.303 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.254 1.260 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.906 -2.273 8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.321 -2.269 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.233 1.245 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.375 -0.278 10.345 1.00 0.00 H new ATOM 354 N ALA A 22 -18.282 -0.500 11.160 1.00 0.00 N ATOM 355 CA ALA A 22 -19.074 -1.703 11.400 1.00 0.00 C ATOM 356 C ALA A 22 -20.555 -1.406 11.662 1.00 0.00 C ATOM 357 O ALA A 22 -21.388 -2.281 11.429 1.00 0.00 O ATOM 358 CB ALA A 22 -18.483 -2.472 12.577 1.00 0.00 C ATOM 0 H ALA A 22 -17.629 -0.272 11.910 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.032 -2.303 10.491 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -19.073 -3.371 12.758 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -17.455 -2.753 12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -18.498 -1.843 13.467 1.00 0.00 H new ATOM 364 N ALA A 23 -20.890 -0.188 12.108 1.00 0.00 N ATOM 365 CA ALA A 23 -22.252 0.254 12.377 1.00 0.00 C ATOM 366 C ALA A 23 -22.685 1.369 11.437 1.00 0.00 C ATOM 367 O ALA A 23 -23.666 2.051 11.736 1.00 0.00 O ATOM 368 CB ALA A 23 -22.357 0.736 13.819 1.00 0.00 C ATOM 0 H ALA A 23 -20.194 0.534 12.295 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.914 -0.596 12.213 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.376 1.066 14.019 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -22.101 -0.080 14.495 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.669 1.567 13.976 1.00 0.00 H new ATOM 374 N ASN A 24 -21.966 1.569 10.319 1.00 0.00 N ATOM 375 CA ASN A 24 -22.291 2.581 9.324 1.00 0.00 C ATOM 376 C ASN A 24 -22.164 4.016 9.868 1.00 0.00 C ATOM 377 O ASN A 24 -22.576 4.975 9.212 1.00 0.00 O ATOM 378 CB ASN A 24 -23.672 2.252 8.732 1.00 0.00 C ATOM 379 CG ASN A 24 -23.547 1.515 7.405 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.728 2.092 6.337 1.00 0.00 O ATOM 381 ND2 ASN A 24 -23.216 0.226 7.474 1.00 0.00 N ATOM 0 H ASN A 24 -21.137 1.022 10.087 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.558 2.553 8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.236 1.641 9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.236 3.173 8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -23.104 -0.318 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.074 -0.216 8.382 1.00 0.00 H new ATOM 388 N LYS A 25 -21.557 4.171 11.049 1.00 0.00 N ATOM 389 CA LYS A 25 -21.111 5.432 11.594 1.00 0.00 C ATOM 390 C LYS A 25 -19.709 5.708 11.023 1.00 0.00 C ATOM 391 O LYS A 25 -19.142 4.887 10.297 1.00 0.00 O ATOM 392 CB LYS A 25 -21.170 5.335 13.130 1.00 0.00 C ATOM 393 CG LYS A 25 -22.567 4.947 13.672 1.00 0.00 C ATOM 394 CD LYS A 25 -22.993 5.705 14.942 1.00 0.00 C ATOM 395 CE LYS A 25 -21.916 5.738 16.028 1.00 0.00 C ATOM 396 NZ LYS A 25 -21.860 4.526 16.866 1.00 0.00 N ATOM 0 H LYS A 25 -21.361 3.383 11.666 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.741 6.277 11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.441 4.599 13.468 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.877 6.294 13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -23.307 5.125 12.892 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.577 3.878 13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.257 6.728 14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.892 5.240 15.348 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.945 5.884 15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.091 6.601 16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.869 4.241 16.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.290 4.724 17.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.382 3.757 16.400 1.00 0.00 H new ATOM 410 N PHE A 26 -19.143 6.878 11.317 1.00 0.00 N ATOM 411 CA PHE A 26 -17.816 7.284 10.868 1.00 0.00 C ATOM 412 C PHE A 26 -17.338 8.429 11.792 1.00 0.00 C ATOM 413 O PHE A 26 -18.165 9.104 12.421 1.00 0.00 O ATOM 414 CB PHE A 26 -17.846 7.691 9.380 1.00 0.00 C ATOM 415 CG PHE A 26 -18.261 9.127 9.206 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.494 9.542 9.733 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.324 10.075 8.761 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.724 10.897 9.963 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.590 11.438 8.947 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.749 11.841 9.616 1.00 0.00 C ATOM 0 H PHE A 26 -19.607 7.585 11.887 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.109 6.457 10.936 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.859 7.541 8.941 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.537 7.044 8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.260 8.815 9.959 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.410 9.757 8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.654 11.219 10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.898 12.178 8.573 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.893 12.882 9.866 1.00 0.00 H new ATOM 430 N PRO A 27 -16.016 8.591 11.980 1.00 0.00 N ATOM 431 CA PRO A 27 -15.498 9.488 13.004 1.00 0.00 C ATOM 432 C PRO A 27 -15.670 10.965 12.652 1.00 0.00 C ATOM 433 O PRO A 27 -15.773 11.339 11.483 1.00 0.00 O ATOM 434 CB PRO A 27 -14.023 9.114 13.166 1.00 0.00 C ATOM 435 CG PRO A 27 -13.662 8.401 11.863 1.00 0.00 C ATOM 436 CD PRO A 27 -14.966 7.686 11.534 1.00 0.00 C ATOM 0 HA PRO A 27 -16.055 9.369 13.933 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.404 9.998 13.319 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.871 8.465 14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.370 9.101 11.080 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.834 7.704 11.993 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.047 7.484 10.466 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.029 6.726 12.046 1.00 0.00 H new ATOM 444 N ALA A 28 -15.623 11.802 13.693 1.00 0.00 N ATOM 445 CA ALA A 28 -15.449 13.242 13.581 1.00 0.00 C ATOM 446 C ALA A 28 -14.626 13.777 14.755 1.00 0.00 C ATOM 447 O ALA A 28 -14.270 13.031 15.675 1.00 0.00 O ATOM 448 CB ALA A 28 -16.811 13.938 13.489 1.00 0.00 C ATOM 0 H ALA A 28 -15.708 11.483 14.658 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.899 13.459 12.665 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.664 15.015 13.406 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.346 13.576 12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.393 13.719 14.385 1.00 0.00 H new ATOM 454 N ILE A 29 -14.363 15.090 14.717 1.00 0.00 N ATOM 455 CA ILE A 29 -13.694 15.836 15.779 1.00 0.00 C ATOM 456 C ILE A 29 -14.444 17.137 16.033 1.00 0.00 C ATOM 457 O ILE A 29 -15.120 17.675 15.158 1.00 0.00 O ATOM 458 CB ILE A 29 -12.206 16.057 15.423 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.289 16.647 16.509 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.020 16.954 14.204 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.138 15.783 17.753 1.00 0.00 C ATOM 0 H ILE A 29 -14.619 15.675 13.922 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.708 15.265 16.707 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.901 15.024 15.253 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.302 16.816 16.079 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.679 17.621 16.805 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.956 17.075 14.000 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.506 16.500 13.340 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.465 17.930 14.399 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.475 16.279 18.462 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.115 15.634 18.213 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.716 14.817 17.476 1.00 0.00 H new ATOM 473 N ILE A 30 -14.264 17.648 17.246 1.00 0.00 N ATOM 474 CA ILE A 30 -14.759 18.933 17.712 1.00 0.00 C ATOM 475 C ILE A 30 -13.522 19.653 18.223 1.00 0.00 C ATOM 476 O ILE A 30 -13.246 19.633 19.420 1.00 0.00 O ATOM 477 CB ILE A 30 -15.902 18.782 18.755 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.142 18.214 18.048 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.219 20.135 19.408 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.379 17.928 18.913 1.00 0.00 C ATOM 0 H ILE A 30 -13.741 17.149 17.966 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.240 19.514 16.925 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.590 18.100 19.546 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.433 18.914 17.264 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.853 17.286 17.555 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.021 20.009 20.135 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.329 20.513 19.911 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.532 20.844 18.642 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.178 17.532 18.286 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.125 17.198 19.682 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.714 18.851 19.386 1.00 0.00 H new ATOM 492 N TYR A 31 -12.746 20.229 17.301 1.00 0.00 N ATOM 493 CA TYR A 31 -11.578 21.020 17.650 1.00 0.00 C ATOM 494 C TYR A 31 -11.967 22.481 17.858 1.00 0.00 C ATOM 495 O TYR A 31 -13.151 22.801 17.854 1.00 0.00 O ATOM 496 CB TYR A 31 -10.438 20.780 16.662 1.00 0.00 C ATOM 497 CG TYR A 31 -10.601 21.080 15.182 1.00 0.00 C ATOM 498 CD1 TYR A 31 -10.903 22.376 14.724 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.297 20.075 14.240 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.917 22.656 13.348 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.298 20.354 12.863 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.614 21.652 12.406 1.00 0.00 C ATOM 503 OH TYR A 31 -10.616 21.947 11.072 1.00 0.00 O ATOM 0 H TYR A 31 -12.914 20.157 16.298 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.179 20.693 18.610 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.586 21.362 17.012 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.162 19.729 16.745 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.125 23.159 15.434 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.060 19.078 14.582 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.163 23.651 13.008 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.057 19.576 12.154 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.529 21.120 10.554 1.00 0.00 H new ATOM 574 N PRO A 37 -9.544 19.510 21.625 1.00 0.00 N ATOM 575 CA PRO A 37 -10.617 18.857 20.899 1.00 0.00 C ATOM 576 C PRO A 37 -11.455 17.828 21.663 1.00 0.00 C ATOM 577 O PRO A 37 -11.213 17.523 22.831 1.00 0.00 O ATOM 578 CB PRO A 37 -9.973 18.170 19.704 1.00 0.00 C ATOM 579 CG PRO A 37 -8.606 18.789 19.553 1.00 0.00 C ATOM 580 CD PRO A 37 -8.374 19.639 20.778 1.00 0.00 C ATOM 0 HA PRO A 37 -11.333 19.640 20.650 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.898 17.095 19.866 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.569 18.316 18.803 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.840 18.018 19.467 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.553 19.393 18.648 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.479 19.312 21.308 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.216 20.681 20.498 1.00 0.00 H new ATOM 588 N LEU A 38 -12.426 17.255 20.941 1.00 0.00 N ATOM 589 CA LEU A 38 -13.287 16.187 21.415 1.00 0.00 C ATOM 590 C LEU A 38 -13.702 15.356 20.205 1.00 0.00 C ATOM 591 O LEU A 38 -14.545 15.783 19.422 1.00 0.00 O ATOM 592 CB LEU A 38 -14.501 16.793 22.132 1.00 0.00 C ATOM 593 CG LEU A 38 -15.458 15.716 22.681 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.175 15.489 24.162 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.911 16.141 22.480 1.00 0.00 C ATOM 0 H LEU A 38 -12.633 17.537 19.983 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.772 15.545 22.130 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.158 17.422 22.953 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.043 17.438 21.441 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.295 14.785 22.137 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.852 14.728 24.549 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.145 15.157 24.289 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.326 16.420 24.708 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.573 15.370 22.873 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.092 17.078 23.007 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.106 16.279 21.417 1.00 0.00 H new ATOM 607 N ALA A 39 -13.100 14.178 20.031 1.00 0.00 N ATOM 608 CA ALA A 39 -13.570 13.225 19.035 1.00 0.00 C ATOM 609 C ALA A 39 -14.916 12.672 19.480 1.00 0.00 C ATOM 610 O ALA A 39 -15.082 12.334 20.653 1.00 0.00 O ATOM 611 CB ALA A 39 -12.589 12.076 18.883 1.00 0.00 C ATOM 0 H ALA A 39 -12.290 13.866 20.566 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.662 13.735 18.076 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.961 11.377 18.134 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.620 12.464 18.568 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.481 11.561 19.838 1.00 0.00 H new ATOM 617 N ILE A 40 -15.849 12.536 18.534 1.00 0.00 N ATOM 618 CA ILE A 40 -17.190 12.060 18.779 1.00 0.00 C ATOM 619 C ILE A 40 -17.604 11.192 17.580 1.00 0.00 C ATOM 620 O ILE A 40 -17.251 11.491 16.438 1.00 0.00 O ATOM 621 CB ILE A 40 -18.139 13.237 19.066 1.00 0.00 C ATOM 622 CG1 ILE A 40 -17.814 14.638 18.540 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.254 13.416 20.576 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.679 14.746 17.037 1.00 0.00 C ATOM 0 H ILE A 40 -15.676 12.763 17.555 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.240 11.439 19.674 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.029 12.921 18.522 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.596 15.323 18.869 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -16.883 14.974 18.997 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.924 14.248 20.794 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.651 12.504 21.021 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.269 13.625 20.994 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.449 15.776 16.765 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.876 14.093 16.696 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -18.615 14.447 16.565 1.00 0.00 H new ATOM 636 N GLU A 41 -18.314 10.090 17.851 1.00 0.00 N ATOM 637 CA GLU A 41 -18.611 9.013 16.921 1.00 0.00 C ATOM 638 C GLU A 41 -20.072 9.167 16.486 1.00 0.00 C ATOM 639 O GLU A 41 -20.956 9.025 17.326 1.00 0.00 O ATOM 640 CB GLU A 41 -18.223 7.685 17.633 1.00 0.00 C ATOM 641 CG GLU A 41 -19.097 6.446 17.400 1.00 0.00 C ATOM 642 CD GLU A 41 -18.488 5.121 17.886 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.382 5.125 18.472 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.154 4.093 17.620 1.00 0.00 O ATOM 0 H GLU A 41 -18.714 9.925 18.775 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.040 9.027 15.992 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.205 7.434 17.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.201 7.878 18.706 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.053 6.595 17.902 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.306 6.363 16.334 1.00 0.00 H new ATOM 651 N LEU A 42 -20.325 9.525 15.211 1.00 0.00 N ATOM 652 CA LEU A 42 -21.667 9.863 14.711 1.00 0.00 C ATOM 653 C LEU A 42 -22.027 9.098 13.442 1.00 0.00 C ATOM 654 O LEU A 42 -21.165 8.538 12.767 1.00 0.00 O ATOM 655 CB LEU A 42 -21.863 11.378 14.481 1.00 0.00 C ATOM 656 CG LEU A 42 -21.194 11.981 13.232 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.835 13.325 12.889 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.697 12.217 13.402 1.00 0.00 C ATOM 0 H LEU A 42 -19.598 9.587 14.498 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.347 9.554 15.505 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.933 11.578 14.424 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.487 11.906 15.357 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.339 11.249 12.437 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.354 13.742 12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.897 13.182 12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.712 14.011 13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.289 12.643 12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.529 12.907 14.229 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.201 11.270 13.614 1.00 0.00 H new ATOM 670 N ASP A 43 -23.319 9.134 13.101 1.00 0.00 N ATOM 671 CA ASP A 43 -23.875 8.436 11.957 1.00 0.00 C ATOM 672 C ASP A 43 -23.402 9.110 10.669 1.00 0.00 C ATOM 673 O ASP A 43 -23.485 10.337 10.546 1.00 0.00 O ATOM 674 CB ASP A 43 -25.404 8.457 12.020 1.00 0.00 C ATOM 675 CG ASP A 43 -25.985 7.322 11.188 1.00 0.00 C ATOM 676 OD1 ASP A 43 -26.152 6.223 11.758 1.00 0.00 O ATOM 677 OD2 ASP A 43 -26.223 7.574 9.988 1.00 0.00 O ATOM 0 H ASP A 43 -24.014 9.662 13.628 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.536 7.400 11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.733 8.363 13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.776 9.413 11.653 1.00 0.00 H new ATOM 682 N HIS A 44 -22.933 8.309 9.706 1.00 0.00 N ATOM 683 CA HIS A 44 -22.533 8.821 8.406 1.00 0.00 C ATOM 684 C HIS A 44 -23.759 9.259 7.622 1.00 0.00 C ATOM 685 O HIS A 44 -23.752 10.355 7.075 1.00 0.00 O ATOM 686 CB HIS A 44 -21.761 7.746 7.632 1.00 0.00 C ATOM 687 CG HIS A 44 -21.178 8.204 6.315 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.770 9.062 5.414 1.00 0.00 N ATOM 689 CD2 HIS A 44 -19.996 7.785 5.764 1.00 0.00 C ATOM 690 CE1 HIS A 44 -20.966 9.156 4.348 1.00 0.00 C ATOM 691 NE2 HIS A 44 -19.877 8.389 4.510 1.00 0.00 N ATOM 0 H HIS A 44 -22.824 7.300 9.811 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.881 9.683 8.548 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.952 7.377 8.262 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.428 6.905 7.444 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.662 9.540 5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.285 7.110 6.217 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.166 9.765 3.478 1.00 0.00 H new ATOM 699 N ASP A 45 -24.782 8.407 7.510 1.00 0.00 N ATOM 700 CA ASP A 45 -25.929 8.680 6.656 1.00 0.00 C ATOM 701 C ASP A 45 -26.746 9.863 7.182 1.00 0.00 C ATOM 702 O ASP A 45 -27.316 10.609 6.382 1.00 0.00 O ATOM 703 CB ASP A 45 -26.791 7.424 6.547 1.00 0.00 C ATOM 704 CG ASP A 45 -27.560 7.411 5.225 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.884 7.245 4.181 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.799 7.566 5.273 1.00 0.00 O ATOM 0 H ASP A 45 -24.834 7.517 8.006 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.571 8.954 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.161 6.537 6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.491 7.383 7.381 1.00 0.00 H new ATOM 711 N LYS A 46 -26.718 10.085 8.510 1.00 0.00 N ATOM 712 CA LYS A 46 -27.153 11.344 9.097 1.00 0.00 C ATOM 713 C LYS A 46 -26.279 12.451 8.522 1.00 0.00 C ATOM 714 O LYS A 46 -26.758 13.151 7.633 1.00 0.00 O ATOM 715 CB LYS A 46 -27.133 11.331 10.633 1.00 0.00 C ATOM 716 CG LYS A 46 -27.714 12.617 11.206 1.00 0.00 C ATOM 717 CD LYS A 46 -27.567 12.737 12.722 1.00 0.00 C ATOM 718 CE LYS A 46 -28.610 11.972 13.528 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.909 12.676 13.534 1.00 0.00 N ATOM 0 H LYS A 46 -26.395 9.398 9.191 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.198 11.517 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.704 10.477 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.109 11.204 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.224 13.468 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.771 12.674 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.576 12.382 13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.618 13.791 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -28.737 10.974 13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -28.259 11.844 14.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -30.556 12.205 14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -29.768 13.663 13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -30.319 12.657 12.578 1.00 0.00 H new ATOM 733 N VAL A 47 -25.032 12.630 9.002 1.00 0.00 N ATOM 734 CA VAL A 47 -24.251 13.818 8.684 1.00 0.00 C ATOM 735 C VAL A 47 -24.109 14.089 7.179 1.00 0.00 C ATOM 736 O VAL A 47 -23.966 15.236 6.775 1.00 0.00 O ATOM 737 CB VAL A 47 -22.896 13.733 9.376 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.905 12.901 8.590 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.321 15.129 9.581 1.00 0.00 C ATOM 0 H VAL A 47 -24.555 11.963 9.609 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.802 14.678 9.065 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.060 13.248 10.338 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.954 12.869 9.122 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.291 11.888 8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.756 13.346 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.353 15.055 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.197 15.617 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.001 15.715 10.199 1.00 0.00 H new ATOM 749 N MET A 48 -24.182 13.036 6.364 1.00 0.00 N ATOM 750 CA MET A 48 -24.293 13.079 4.919 1.00 0.00 C ATOM 751 C MET A 48 -25.406 14.044 4.518 1.00 0.00 C ATOM 752 O MET A 48 -25.105 15.068 3.929 1.00 0.00 O ATOM 753 CB MET A 48 -24.497 11.671 4.343 1.00 0.00 C ATOM 754 CG MET A 48 -24.628 11.632 2.817 1.00 0.00 C ATOM 755 SD MET A 48 -23.105 11.238 1.907 1.00 0.00 S ATOM 756 CE MET A 48 -22.208 12.808 2.023 1.00 0.00 C ATOM 0 H MET A 48 -24.164 12.081 6.722 1.00 0.00 H new ATOM 0 HA MET A 48 -23.362 13.452 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.657 11.043 4.641 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.393 11.236 4.785 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.388 10.896 2.554 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.993 12.601 2.477 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.267 12.730 1.478 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.813 13.605 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.004 13.034 3.070 1.00 0.00 H new ATOM 766 N ASN A 49 -26.665 13.787 4.877 1.00 0.00 N ATOM 767 CA ASN A 49 -27.767 14.729 4.661 1.00 0.00 C ATOM 768 C ASN A 49 -27.541 16.103 5.297 1.00 0.00 C ATOM 769 O ASN A 49 -28.166 17.072 4.867 1.00 0.00 O ATOM 770 CB ASN A 49 -29.021 14.091 5.262 1.00 0.00 C ATOM 771 CG ASN A 49 -30.310 14.906 5.126 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.555 15.575 4.127 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.159 14.847 6.150 1.00 0.00 N ATOM 0 H ASN A 49 -26.951 12.917 5.327 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.856 14.911 3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.175 13.121 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.840 13.905 6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.037 15.365 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.932 14.283 6.969 1.00 0.00 H new ATOM 780 N MET A 50 -26.674 16.220 6.307 1.00 0.00 N ATOM 781 CA MET A 50 -26.520 17.426 7.073 1.00 0.00 C ATOM 782 C MET A 50 -25.537 18.346 6.338 1.00 0.00 C ATOM 783 O MET A 50 -25.987 19.359 5.825 1.00 0.00 O ATOM 784 CB MET A 50 -26.125 17.031 8.495 1.00 0.00 C ATOM 785 CG MET A 50 -26.989 15.962 9.137 1.00 0.00 C ATOM 786 SD MET A 50 -28.720 16.333 9.475 1.00 0.00 S ATOM 787 CE MET A 50 -28.601 16.265 11.269 1.00 0.00 C ATOM 0 H MET A 50 -26.060 15.463 6.606 1.00 0.00 H new ATOM 0 HA MET A 50 -27.439 18.004 7.168 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.093 16.681 8.483 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.153 17.922 9.122 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.959 15.083 8.493 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.521 15.682 10.081 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.564 15.972 11.687 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.844 15.535 11.556 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.323 17.247 11.653 1.00 0.00 H new ATOM 797 N GLN A 51 -24.244 18.005 6.190 1.00 0.00 N ATOM 798 CA GLN A 51 -23.292 18.808 5.389 1.00 0.00 C ATOM 799 C GLN A 51 -23.673 18.928 3.909 1.00 0.00 C ATOM 800 O GLN A 51 -23.067 19.713 3.181 1.00 0.00 O ATOM 801 CB GLN A 51 -21.826 18.351 5.555 1.00 0.00 C ATOM 802 CG GLN A 51 -21.406 16.932 5.172 1.00 0.00 C ATOM 803 CD GLN A 51 -21.569 16.651 3.693 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.772 17.088 2.869 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.615 15.915 3.355 1.00 0.00 N ATOM 0 H GLN A 51 -23.830 17.176 6.615 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.368 19.811 5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.208 19.037 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.562 18.493 6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.364 16.778 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -22.000 16.216 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.252 15.573 4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.785 15.690 2.375 1.00 0.00 H new ATOM 814 N ALA A 52 -24.687 18.179 3.466 1.00 0.00 N ATOM 815 CA ALA A 52 -25.292 18.271 2.175 1.00 0.00 C ATOM 816 C ALA A 52 -26.177 19.518 2.035 1.00 0.00 C ATOM 817 O ALA A 52 -26.677 19.735 0.930 1.00 0.00 O ATOM 818 CB ALA A 52 -26.016 16.957 1.876 1.00 0.00 C ATOM 0 H ALA A 52 -25.117 17.459 4.046 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.522 18.408 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.483 17.014 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.300 16.135 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.782 16.784 2.632 1.00 0.00 H new ATOM 824 N LYS A 53 -26.332 20.372 3.073 1.00 0.00 N ATOM 825 CA LYS A 53 -26.777 21.744 2.841 1.00 0.00 C ATOM 826 C LYS A 53 -25.790 22.723 3.465 1.00 0.00 C ATOM 827 O LYS A 53 -25.056 22.378 4.389 1.00 0.00 O ATOM 828 CB LYS A 53 -28.220 21.954 3.319 1.00 0.00 C ATOM 829 CG LYS A 53 -28.422 21.820 4.835 1.00 0.00 C ATOM 830 CD LYS A 53 -28.753 20.403 5.290 1.00 0.00 C ATOM 831 CE LYS A 53 -30.192 19.993 4.957 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.487 18.633 5.446 1.00 0.00 N ATOM 0 H LYS A 53 -26.158 20.134 4.050 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.792 21.939 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.550 22.946 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.863 21.232 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.517 22.152 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.225 22.488 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.062 19.704 4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.598 20.326 6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.888 20.702 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.344 20.035 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.329 18.264 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.676 18.011 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.664 18.663 6.470 1.00 0.00 H new ATOM 846 N ALA A 54 -25.790 23.961 2.962 1.00 0.00 N ATOM 847 CA ALA A 54 -24.871 24.994 3.427 1.00 0.00 C ATOM 848 C ALA A 54 -25.245 25.535 4.807 1.00 0.00 C ATOM 849 O ALA A 54 -24.385 26.033 5.533 1.00 0.00 O ATOM 850 CB ALA A 54 -24.837 26.135 2.406 1.00 0.00 C ATOM 0 H ALA A 54 -26.424 24.270 2.226 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.884 24.542 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.151 26.910 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.499 25.752 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.836 26.557 2.298 1.00 0.00 H new ATOM 856 N GLU A 55 -26.515 25.365 5.186 1.00 0.00 N ATOM 857 CA GLU A 55 -27.059 25.613 6.503 1.00 0.00 C ATOM 858 C GLU A 55 -26.323 24.794 7.573 1.00 0.00 C ATOM 859 O GLU A 55 -26.366 25.131 8.746 1.00 0.00 O ATOM 860 CB GLU A 55 -28.549 25.235 6.518 1.00 0.00 C ATOM 861 CG GLU A 55 -29.387 25.758 5.334 1.00 0.00 C ATOM 862 CD GLU A 55 -30.802 25.166 5.306 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.345 24.858 6.391 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.315 24.997 4.177 1.00 0.00 O ATOM 0 H GLU A 55 -27.225 25.030 4.534 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.932 26.672 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.628 24.148 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.989 25.608 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.453 26.844 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.878 25.519 4.400 1.00 0.00 H new ATOM 871 N PHE A 56 -25.631 23.718 7.194 1.00 0.00 N ATOM 872 CA PHE A 56 -24.870 22.911 8.128 1.00 0.00 C ATOM 873 C PHE A 56 -23.670 23.662 8.669 1.00 0.00 C ATOM 874 O PHE A 56 -23.468 23.775 9.876 1.00 0.00 O ATOM 875 CB PHE A 56 -24.384 21.679 7.380 1.00 0.00 C ATOM 876 CG PHE A 56 -23.603 20.651 8.172 1.00 0.00 C ATOM 877 CD1 PHE A 56 -24.316 19.681 8.883 1.00 0.00 C ATOM 878 CD2 PHE A 56 -22.196 20.577 8.113 1.00 0.00 C ATOM 879 CE1 PHE A 56 -23.646 18.609 9.492 1.00 0.00 C ATOM 880 CE2 PHE A 56 -21.524 19.509 8.744 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.256 18.512 9.407 1.00 0.00 C ATOM 0 H PHE A 56 -25.587 23.388 6.230 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.506 22.648 8.973 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.252 21.183 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -23.760 22.012 6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -25.390 19.757 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -21.635 21.335 7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -24.207 17.857 10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -20.446 19.459 8.717 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.745 17.671 9.851 1.00 0.00 H new ATOM 891 N TYR A 57 -22.848 24.120 7.727 1.00 0.00 N ATOM 892 CA TYR A 57 -21.566 24.718 8.040 1.00 0.00 C ATOM 893 C TYR A 57 -21.749 26.152 8.544 1.00 0.00 C ATOM 894 O TYR A 57 -20.948 26.631 9.346 1.00 0.00 O ATOM 895 CB TYR A 57 -20.636 24.604 6.820 1.00 0.00 C ATOM 896 CG TYR A 57 -20.881 25.538 5.647 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.546 26.904 5.745 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.361 25.028 4.424 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.736 27.767 4.654 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.525 25.879 3.316 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.230 27.257 3.431 1.00 0.00 C ATOM 902 OH TYR A 57 -21.405 28.094 2.369 1.00 0.00 O ATOM 0 H TYR A 57 -23.058 24.084 6.729 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.086 24.178 8.856 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.614 24.761 7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.695 23.580 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.139 27.290 6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.604 23.979 4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.505 28.818 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.877 25.479 2.376 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.750 27.586 1.605 1.00 0.00 H new ATOM 912 N SER A 58 -22.826 26.809 8.095 1.00 0.00 N ATOM 913 CA SER A 58 -23.229 28.133 8.528 1.00 0.00 C ATOM 914 C SER A 58 -23.884 28.061 9.911 1.00 0.00 C ATOM 915 O SER A 58 -23.508 28.827 10.799 1.00 0.00 O ATOM 916 CB SER A 58 -24.186 28.715 7.479 1.00 0.00 C ATOM 917 OG SER A 58 -24.574 30.028 7.825 1.00 0.00 O ATOM 0 H SER A 58 -23.455 26.411 7.397 1.00 0.00 H new ATOM 0 HA SER A 58 -22.360 28.785 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.702 28.720 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.069 28.081 7.394 1.00 0.00 H new ATOM 0 HG SER A 58 -25.182 30.380 7.142 1.00 0.00 H new ATOM 923 N GLU A 59 -24.863 27.160 10.099 1.00 0.00 N ATOM 924 CA GLU A 59 -25.809 27.243 11.202 1.00 0.00 C ATOM 925 C GLU A 59 -25.475 26.124 12.184 1.00 0.00 C ATOM 926 O GLU A 59 -25.737 24.946 11.933 1.00 0.00 O ATOM 927 CB GLU A 59 -27.280 27.243 10.735 1.00 0.00 C ATOM 928 CG GLU A 59 -27.557 27.912 9.369 1.00 0.00 C ATOM 929 CD GLU A 59 -28.744 28.875 9.421 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.880 28.379 9.584 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.493 30.095 9.298 1.00 0.00 O ATOM 0 H GLU A 59 -25.013 26.358 9.486 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.707 28.203 11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.626 26.210 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.881 27.746 11.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.668 28.453 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.750 27.141 8.623 1.00 0.00 H new ATOM 938 N VAL A 60 -24.831 26.535 13.280 1.00 0.00 N ATOM 939 CA VAL A 60 -24.204 25.721 14.311 1.00 0.00 C ATOM 940 C VAL A 60 -25.019 24.487 14.685 1.00 0.00 C ATOM 941 O VAL A 60 -26.182 24.573 15.070 1.00 0.00 O ATOM 942 CB VAL A 60 -23.898 26.627 15.517 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.114 27.375 16.101 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.175 25.866 16.607 1.00 0.00 C ATOM 0 H VAL A 60 -24.730 27.530 13.480 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.273 25.309 13.922 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.247 27.403 15.114 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -24.794 27.986 16.946 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.550 28.016 15.334 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -25.859 26.653 16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.973 26.534 17.445 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -23.796 25.037 16.945 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.234 25.478 16.217 1.00 0.00 H new ATOM 954 N LEU A 61 -24.364 23.332 14.585 1.00 0.00 N ATOM 955 CA LEU A 61 -24.971 22.025 14.712 1.00 0.00 C ATOM 956 C LEU A 61 -24.938 21.639 16.189 1.00 0.00 C ATOM 957 O LEU A 61 -24.018 22.052 16.897 1.00 0.00 O ATOM 958 CB LEU A 61 -24.128 21.041 13.898 1.00 0.00 C ATOM 959 CG LEU A 61 -23.924 21.379 12.402 1.00 0.00 C ATOM 960 CD1 LEU A 61 -22.920 20.389 11.835 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.151 21.327 11.478 1.00 0.00 C ATOM 0 H LEU A 61 -23.361 23.288 14.407 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.000 22.017 14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.147 20.963 14.367 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.592 20.057 13.965 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.612 22.423 12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.755 20.602 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -21.977 20.478 12.375 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.307 19.376 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.853 21.587 10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.571 20.321 11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.901 22.036 11.829 1.00 0.00 H new ATOM 973 N THR A 62 -25.890 20.815 16.650 1.00 0.00 N ATOM 974 CA THR A 62 -25.941 20.392 18.041 1.00 0.00 C ATOM 975 C THR A 62 -25.570 18.914 18.081 1.00 0.00 C ATOM 976 O THR A 62 -26.379 18.056 17.746 1.00 0.00 O ATOM 977 CB THR A 62 -27.307 20.696 18.676 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.781 21.977 18.304 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.193 20.638 20.193 1.00 0.00 C ATOM 0 H THR A 62 -26.635 20.431 16.069 1.00 0.00 H new ATOM 0 HA THR A 62 -25.228 20.954 18.644 1.00 0.00 H new ATOM 0 HB THR A 62 -28.012 19.946 18.317 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.735 22.047 18.516 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.164 20.854 20.639 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.868 19.643 20.496 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.466 21.376 20.532 1.00 0.00 H new ATOM 987 N ILE A 63 -24.318 18.612 18.416 1.00 0.00 N ATOM 988 CA ILE A 63 -23.821 17.261 18.546 1.00 0.00 C ATOM 989 C ILE A 63 -24.279 16.730 19.896 1.00 0.00 C ATOM 990 O ILE A 63 -23.803 17.182 20.930 1.00 0.00 O ATOM 991 CB ILE A 63 -22.283 17.199 18.428 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.664 18.181 17.426 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.846 15.769 18.114 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.266 18.223 16.029 1.00 0.00 C ATOM 0 H ILE A 63 -23.611 19.322 18.607 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.216 16.648 17.736 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.903 17.516 19.399 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.728 19.183 17.851 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.605 17.943 17.330 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.760 15.730 18.032 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.173 15.105 18.914 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.293 15.451 17.172 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.734 18.959 15.426 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.178 17.241 15.565 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.318 18.500 16.094 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.224 15.796 19.891 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.775 15.200 21.095 1.00 0.00 C ATOM 1008 C VAL A 64 -24.937 13.968 21.406 1.00 0.00 C ATOM 1009 O VAL A 64 -25.262 12.856 20.995 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.277 14.959 20.941 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.936 14.430 22.205 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.962 16.285 20.635 1.00 0.00 C ATOM 0 H VAL A 64 -25.634 15.428 19.033 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.713 15.862 21.958 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.385 14.220 20.147 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.001 14.282 22.025 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.479 13.480 22.483 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.801 15.148 23.014 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.034 16.123 20.523 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.784 16.984 21.452 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.559 16.698 19.710 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.805 14.213 22.068 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.778 13.251 22.397 1.00 0.00 C ATOM 1024 C VAL A 65 -23.319 12.432 23.556 1.00 0.00 C ATOM 1025 O VAL A 65 -23.331 12.882 24.702 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.402 13.913 22.635 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.122 14.943 21.538 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.204 14.654 23.958 1.00 0.00 C ATOM 0 H VAL A 65 -23.577 15.148 22.405 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.565 12.581 21.564 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.725 13.059 22.642 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.150 15.405 21.712 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.119 14.448 20.567 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.897 15.710 21.553 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.197 15.070 23.995 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.933 15.461 24.036 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.341 13.960 24.788 1.00 0.00 H new ATOM 1038 N ASP A 66 -23.866 11.260 23.231 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.439 10.345 24.203 1.00 0.00 C ATOM 1040 C ASP A 66 -25.559 11.003 25.036 1.00 0.00 C ATOM 1041 O ASP A 66 -25.839 10.578 26.155 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.263 9.763 25.009 1.00 0.00 C ATOM 1043 CG ASP A 66 -23.644 8.549 25.859 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.317 7.649 25.311 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.225 8.527 27.038 1.00 0.00 O ATOM 0 H ASP A 66 -23.921 10.920 22.271 1.00 0.00 H new ATOM 0 HA ASP A 66 -24.965 9.520 23.723 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.467 9.479 24.321 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -22.860 10.539 25.659 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.192 12.059 24.491 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.264 12.806 25.154 1.00 0.00 C ATOM 1052 C GLY A 67 -26.886 14.233 25.573 1.00 0.00 C ATOM 1053 O GLY A 67 -27.775 14.994 25.951 1.00 0.00 O ATOM 0 H GLY A 67 -25.965 12.418 23.564 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.123 12.854 24.485 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.580 12.254 26.039 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.601 14.612 25.508 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.112 15.940 25.892 1.00 0.00 C ATOM 1059 C LYS A 68 -24.965 16.792 24.650 1.00 0.00 C ATOM 1060 O LYS A 68 -24.338 16.364 23.696 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.753 15.825 26.587 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.935 15.331 28.020 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.671 14.653 28.568 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.492 15.630 28.635 1.00 0.00 C ATOM 1065 NZ LYS A 68 -20.237 14.942 28.992 1.00 0.00 N ATOM 0 H LYS A 68 -24.861 13.991 25.181 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.824 16.397 26.579 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.111 15.137 26.036 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.254 16.794 26.589 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -24.200 16.172 28.661 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.767 14.628 28.056 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.872 14.256 29.563 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.407 13.806 27.934 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.374 16.126 27.672 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.704 16.407 29.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.461 15.633 29.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.342 14.490 29.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.023 14.218 28.277 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.535 17.990 24.667 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.783 18.782 23.465 1.00 0.00 C ATOM 1081 C GLU A 69 -24.679 19.830 23.242 1.00 0.00 C ATOM 1082 O GLU A 69 -24.569 20.764 24.037 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.173 19.421 23.596 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.270 18.397 23.932 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.640 18.870 23.445 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.896 18.715 22.230 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.401 19.394 24.287 1.00 0.00 O ATOM 0 H GLU A 69 -25.843 18.446 25.526 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.762 18.141 22.584 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.145 20.185 24.373 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.426 19.925 22.663 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.029 17.439 23.472 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.301 18.234 25.009 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.839 19.668 22.199 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.625 20.474 21.999 1.00 0.00 C ATOM 1096 C ILE A 70 -22.780 21.294 20.715 1.00 0.00 C ATOM 1097 O ILE A 70 -23.059 20.739 19.659 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.359 19.575 21.953 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.874 19.065 23.326 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.174 20.344 21.372 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.837 18.081 23.959 1.00 0.00 C ATOM 0 H ILE A 70 -23.988 18.970 21.470 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.497 21.154 22.841 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.670 18.726 21.344 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.900 18.590 23.209 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.736 19.914 23.996 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.297 19.697 21.348 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.413 20.669 20.359 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -19.966 21.215 21.993 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.444 17.756 24.922 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.805 18.561 24.105 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.956 17.217 23.306 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.543 22.607 20.789 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.590 23.509 19.654 1.00 0.00 C ATOM 1115 C LYS A 71 -21.240 23.585 18.972 1.00 0.00 C ATOM 1116 O LYS A 71 -20.236 23.869 19.622 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.077 24.891 20.114 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.601 25.025 20.234 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.397 24.272 19.158 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.617 25.034 18.666 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.828 24.697 19.435 1.00 0.00 N ATOM 0 H LYS A 71 -22.308 23.075 21.664 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.297 23.127 18.918 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.629 25.116 21.082 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.714 25.642 19.412 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.908 24.662 21.215 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.864 26.082 20.189 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.742 24.063 18.312 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.716 23.310 19.559 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.428 26.105 18.738 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -26.783 24.810 17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.616 25.300 19.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.072 23.698 19.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.651 24.855 20.448 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.244 23.328 17.654 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.073 23.334 16.778 1.00 0.00 C ATOM 1137 C VAL A 72 -20.464 23.674 15.339 1.00 0.00 C ATOM 1138 O VAL A 72 -21.619 23.503 14.961 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.374 21.970 16.828 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -18.946 21.592 18.216 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.260 20.867 16.260 1.00 0.00 C ATOM 0 H VAL A 72 -22.103 23.101 17.153 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.386 24.102 17.132 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.481 22.072 16.211 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.457 20.618 18.193 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.250 22.339 18.598 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.820 21.544 18.866 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.733 19.914 16.311 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.180 20.804 16.841 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.501 21.093 15.221 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.503 24.094 14.510 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.739 24.450 13.108 1.00 0.00 C ATOM 1153 C LYS A 73 -18.686 23.802 12.238 1.00 0.00 C ATOM 1154 O LYS A 73 -17.501 23.898 12.541 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.607 25.956 12.913 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.726 26.749 13.582 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.269 28.062 14.219 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.704 29.107 13.242 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.326 28.807 12.795 1.00 0.00 N ATOM 0 H LYS A 73 -18.530 24.197 14.797 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.741 24.114 12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.648 26.285 13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.600 26.179 11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.495 26.966 12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.188 26.128 14.349 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.114 28.503 14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.507 27.838 14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.356 29.169 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.718 30.086 13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.854 29.689 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.797 28.366 13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.358 28.155 11.986 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.125 23.201 11.138 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.230 22.527 10.210 1.00 0.00 C ATOM 1175 C ALA A 74 -17.195 23.494 9.633 1.00 0.00 C ATOM 1176 O ALA A 74 -17.541 24.624 9.284 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.051 21.889 9.098 1.00 0.00 C ATOM 0 H ALA A 74 -20.108 23.168 10.867 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.683 21.753 10.748 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.385 21.382 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.745 21.166 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.611 22.661 8.570 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.950 23.022 9.499 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.872 23.743 8.828 1.00 0.00 C ATOM 1185 C GLN A 75 -14.377 22.955 7.613 1.00 0.00 C ATOM 1186 O GLN A 75 -14.190 23.540 6.547 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.721 24.051 9.808 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.593 25.553 10.114 1.00 0.00 C ATOM 1189 CD GLN A 75 -13.027 26.408 8.973 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -12.862 25.965 7.842 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -12.701 27.661 9.282 1.00 0.00 N ATOM 0 H GLN A 75 -15.663 22.113 9.861 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.263 24.697 8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.885 23.507 10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.783 23.688 9.387 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.577 25.938 10.381 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.955 25.676 10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.848 28.007 10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.305 28.275 8.571 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.205 21.634 7.748 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.692 20.770 6.704 1.00 0.00 C ATOM 1202 C ASP A 76 -14.385 19.432 6.873 1.00 0.00 C ATOM 1203 O ASP A 76 -14.131 18.665 7.803 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.161 20.645 6.730 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.673 19.639 5.682 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.972 19.876 4.491 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -11.025 18.644 6.073 1.00 0.00 O ATOM 0 H ASP A 76 -14.427 21.135 8.610 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.906 21.195 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.710 21.619 6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.835 20.329 7.721 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.318 19.201 5.958 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.846 17.891 5.661 1.00 0.00 C ATOM 1214 C VAL A 77 -14.945 17.326 4.554 1.00 0.00 C ATOM 1215 O VAL A 77 -14.498 18.040 3.655 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.333 17.999 5.261 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.226 18.563 6.383 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.524 18.906 4.053 1.00 0.00 C ATOM 0 H VAL A 77 -15.733 19.942 5.393 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.834 17.217 6.517 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.630 16.974 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.258 18.613 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.167 17.913 7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.885 19.563 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.583 18.958 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.157 19.906 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.968 18.505 3.205 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.707 16.024 4.616 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.865 15.275 3.695 1.00 0.00 C ATOM 1230 C GLN A 78 -14.794 14.330 2.954 1.00 0.00 C ATOM 1231 O GLN A 78 -15.390 13.457 3.581 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.768 14.478 4.424 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.743 15.323 5.197 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.621 14.465 5.804 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.366 13.344 5.370 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.927 14.983 6.817 1.00 0.00 N ATOM 0 H GLN A 78 -15.114 15.435 5.342 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.345 15.956 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.245 13.789 5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.235 13.872 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.308 16.065 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.251 15.869 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.152 15.915 7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.171 14.447 7.244 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.952 14.519 1.641 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.728 13.608 0.808 1.00 0.00 C ATOM 1247 C ARG A 79 -14.899 12.363 0.476 1.00 0.00 C ATOM 1248 O ARG A 79 -13.673 12.365 0.586 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.198 14.325 -0.470 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.204 15.459 -0.202 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.572 14.937 0.265 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.517 16.032 0.529 1.00 0.00 N ATOM 1253 CZ ARG A 79 -20.218 16.745 -0.367 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -20.122 16.506 -1.680 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -21.028 17.712 0.073 1.00 0.00 N ATOM 0 H ARG A 79 -14.547 15.304 1.132 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.614 13.287 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.330 14.734 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.654 13.596 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.797 16.129 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.334 16.046 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.987 14.275 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.444 14.342 1.169 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.657 16.279 1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.506 15.768 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.665 17.062 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.105 17.897 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.569 18.265 -0.591 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.585 11.300 0.046 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.964 10.107 -0.512 1.00 0.00 C ATOM 1271 C HIS A 80 -14.298 10.425 -1.862 1.00 0.00 C ATOM 1272 O HIS A 80 -14.638 11.424 -2.500 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.017 9.004 -0.658 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.793 7.816 0.241 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -15.754 7.794 1.617 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.644 6.530 -0.194 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -15.571 6.516 1.992 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -15.509 5.706 0.922 1.00 0.00 N ATOM 0 H HIS A 80 -16.603 11.249 0.079 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.184 9.756 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.000 9.425 -0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.031 8.665 -1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.633 6.207 -1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.485 6.185 3.016 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -15.388 4.693 0.926 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.360 9.576 -2.320 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.521 9.860 -3.474 1.00 0.00 C ATOM 1288 C PRO A 81 -13.186 9.504 -4.812 1.00 0.00 C ATOM 1289 O PRO A 81 -12.608 9.828 -5.849 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.262 9.019 -3.240 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.815 7.768 -2.561 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.955 8.321 -1.704 1.00 0.00 C ATOM 0 HA PRO A 81 -12.316 10.927 -3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.754 8.781 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.541 9.537 -2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.173 7.039 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.059 7.269 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.789 7.620 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.627 8.481 -0.677 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.360 8.842 -4.817 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.016 8.452 -6.062 1.00 0.00 C ATOM 1302 C TYR A 82 -16.533 8.572 -5.943 1.00 0.00 C ATOM 1303 O TYR A 82 -17.179 9.285 -6.709 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.556 7.040 -6.479 1.00 0.00 C ATOM 1305 CG TYR A 82 -14.625 6.782 -7.974 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -15.869 6.660 -8.625 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -13.434 6.671 -8.720 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -15.926 6.437 -10.012 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -13.482 6.440 -10.106 1.00 0.00 C ATOM 1310 CZ TYR A 82 -14.730 6.325 -10.760 1.00 0.00 C ATOM 1311 OH TYR A 82 -14.774 6.108 -12.106 1.00 0.00 O ATOM 0 H TYR A 82 -14.864 8.571 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.720 9.137 -6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.530 6.889 -6.142 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.172 6.302 -5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -16.783 6.738 -8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.479 6.764 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.882 6.351 -10.506 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.566 6.350 -10.671 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.861 6.059 -12.459 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.089 7.863 -4.961 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.489 7.898 -4.560 1.00 0.00 C ATOM 1323 C LYS A 83 -18.754 9.150 -3.701 1.00 0.00 C ATOM 1324 O LYS A 83 -17.816 9.690 -3.116 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.818 6.565 -3.855 1.00 0.00 C ATOM 1326 CG LYS A 83 -17.864 6.190 -2.704 1.00 0.00 C ATOM 1327 CD LYS A 83 -17.823 4.681 -2.433 1.00 0.00 C ATOM 1328 CE LYS A 83 -19.141 4.208 -1.835 1.00 0.00 C ATOM 1329 NZ LYS A 83 -19.118 2.761 -1.551 1.00 0.00 N ATOM 0 H LYS A 83 -16.542 7.214 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.157 7.985 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.834 6.618 -3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.803 5.765 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.859 6.539 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.175 6.709 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.625 4.145 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.005 4.451 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.342 4.757 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.955 4.432 -2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.031 2.472 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.950 2.237 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.356 2.552 -0.874 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.010 9.628 -3.593 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.344 10.899 -2.940 1.00 0.00 C ATOM 1345 C PRO A 84 -20.341 10.842 -1.397 1.00 0.00 C ATOM 1346 O PRO A 84 -20.908 11.732 -0.764 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.722 11.267 -3.509 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.372 9.907 -3.739 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.194 9.078 -4.243 1.00 0.00 C ATOM 0 HA PRO A 84 -19.585 11.653 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.297 11.876 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.638 11.836 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.798 9.497 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.179 9.958 -4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.323 8.025 -3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.108 9.140 -5.328 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.739 9.807 -0.788 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.700 9.580 0.659 1.00 0.00 C ATOM 1359 C LYS A 85 -18.768 10.584 1.365 1.00 0.00 C ATOM 1360 O LYS A 85 -18.327 11.565 0.767 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.309 8.106 0.913 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.406 7.099 0.555 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.581 7.143 1.538 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.535 5.993 1.236 1.00 0.00 C ATOM 1365 NZ LYS A 85 -23.740 6.048 2.094 1.00 0.00 N ATOM 0 H LYS A 85 -19.250 9.082 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.685 9.754 1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.414 7.874 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.049 7.986 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.770 7.304 -0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.983 6.094 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.216 7.068 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.104 8.096 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.831 6.031 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.022 5.044 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.368 5.252 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.458 5.987 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.242 6.944 1.930 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.486 10.347 2.651 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.585 11.114 3.506 1.00 0.00 C ATOM 1381 C LEU A 86 -16.493 10.181 4.033 1.00 0.00 C ATOM 1382 O LEU A 86 -16.690 8.970 4.131 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.364 11.736 4.680 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.385 12.821 4.271 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.553 12.855 5.269 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.750 14.214 4.163 1.00 0.00 C ATOM 0 H LEU A 86 -18.910 9.565 3.150 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.133 11.922 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.890 10.943 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.652 12.171 5.381 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.754 12.554 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.265 13.624 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.050 11.885 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.174 13.081 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.510 14.939 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.328 14.497 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.960 14.197 3.412 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.346 10.761 4.382 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.228 10.110 5.048 1.00 0.00 C ATOM 1400 C GLN A 87 -14.177 10.525 6.520 1.00 0.00 C ATOM 1401 O GLN A 87 -13.849 9.702 7.372 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.926 10.524 4.351 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.795 9.901 2.956 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.397 8.421 2.987 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -12.628 7.694 3.947 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.788 7.943 1.912 1.00 0.00 N ATOM 0 H GLN A 87 -15.166 11.748 4.197 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.353 9.029 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.890 11.610 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.076 10.223 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.744 10.004 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.052 10.458 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.600 8.555 1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.507 6.963 1.878 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.495 11.797 6.811 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.295 12.456 8.099 1.00 0.00 C ATOM 1417 C HIS A 88 -14.822 13.873 8.013 1.00 0.00 C ATOM 1418 O HIS A 88 -14.964 14.434 6.927 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.817 12.484 8.489 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.543 13.190 9.794 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.893 14.392 9.945 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.863 12.732 11.043 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.795 14.618 11.266 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.373 13.642 11.979 1.00 0.00 N ATOM 0 H HIS A 88 -14.917 12.416 6.119 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.833 11.894 8.863 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.450 11.460 8.557 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.251 12.974 7.696 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.402 11.823 11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.310 15.480 11.700 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.441 13.578 12.995 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.136 14.435 9.179 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.635 15.781 9.330 1.00 0.00 C ATOM 1434 C ILE A 89 -15.051 16.324 10.627 1.00 0.00 C ATOM 1435 O ILE A 89 -14.872 15.592 11.598 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.181 15.758 9.339 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.718 15.172 8.016 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.740 17.167 9.571 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.220 14.995 7.986 1.00 0.00 C ATOM 0 H ILE A 89 -15.043 13.942 10.067 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.338 16.428 8.505 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.512 15.120 10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.423 15.825 7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.245 14.206 7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.829 17.130 9.574 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.387 17.545 10.530 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.401 17.829 8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.518 14.579 7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.522 14.317 8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.703 15.962 8.129 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.817 17.631 10.650 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.497 18.367 11.856 1.00 0.00 C ATOM 1453 C ASP A 90 -15.520 19.480 12.048 1.00 0.00 C ATOM 1454 O ASP A 90 -16.116 19.973 11.086 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.060 18.895 11.809 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.714 19.816 10.641 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.481 20.769 10.381 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.614 19.597 10.084 1.00 0.00 O ATOM 0 H ASP A 90 -14.846 18.214 9.814 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.551 17.703 12.719 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.862 19.431 12.737 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.383 18.041 11.783 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.705 19.886 13.304 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.486 21.032 13.693 1.00 0.00 C ATOM 1465 C PHE A 91 -15.611 21.877 14.623 1.00 0.00 C ATOM 1466 O PHE A 91 -14.800 21.317 15.363 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.755 20.524 14.383 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.435 19.274 13.844 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.358 19.386 12.792 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.247 18.023 14.464 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.101 18.263 12.393 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -18.980 16.898 14.052 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.919 17.019 13.019 1.00 0.00 C ATOM 0 H PHE A 91 -15.294 19.398 14.100 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.792 21.649 12.848 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.510 20.341 15.429 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.487 21.332 14.363 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.496 20.333 12.291 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.530 17.928 15.266 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -20.822 18.357 11.594 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.820 15.943 14.530 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.498 16.163 12.707 1.00 0.00 H new ATOM 1483 N VAL A 92 -15.773 23.207 14.612 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.050 24.076 15.536 1.00 0.00 C ATOM 1485 C VAL A 92 -15.980 24.373 16.709 1.00 0.00 C ATOM 1486 O VAL A 92 -17.185 24.496 16.493 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.486 25.346 14.862 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.814 25.033 13.524 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.494 26.476 14.614 1.00 0.00 C ATOM 0 H VAL A 92 -16.398 23.699 13.973 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.157 23.567 15.899 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.769 25.704 15.601 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.432 25.954 13.085 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.990 24.338 13.685 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.541 24.583 12.848 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.989 27.316 14.137 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.292 26.116 13.964 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.919 26.800 15.564 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.431 24.489 17.927 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.163 24.754 19.165 1.00 0.00 C ATOM 1501 C ARG A 93 -16.972 26.046 19.031 1.00 0.00 C ATOM 1502 O ARG A 93 -16.423 27.142 19.158 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.190 24.873 20.357 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.567 23.561 20.852 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.497 22.734 21.743 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.774 21.552 22.239 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.898 20.979 23.444 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -15.915 21.297 24.250 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.977 20.099 23.852 1.00 0.00 N ATOM 0 H ARG A 93 -14.426 24.397 18.078 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.841 23.920 19.347 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.384 25.551 20.076 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.721 25.336 21.189 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.275 22.960 19.991 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.656 23.788 21.405 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.848 23.337 22.580 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.378 22.426 21.181 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.107 21.123 21.597 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -16.608 21.983 23.950 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.998 20.854 25.165 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.188 19.869 23.247 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.063 19.658 24.768 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.270 25.898 18.756 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.236 26.992 18.840 1.00 0.00 C ATOM 1525 C ALA A 94 -19.792 27.138 20.269 1.00 0.00 C ATOM 1526 O ALA A 94 -20.885 27.736 20.396 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.355 26.734 17.835 1.00 0.00 C ATOM 1528 OXT ALA A 94 -19.131 26.655 21.215 1.00 0.00 O ATOM 0 H ALA A 94 -18.681 25.010 18.467 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.741 27.932 18.598 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.084 27.543 17.886 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -19.937 26.686 16.830 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -20.845 25.789 18.070 1.00 0.00 H new