USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 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 56 GLN : amide:sc= -1.29 K(o=-2.4,f=-0.34) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -1.1! K(o=-2.4!,f=-0.34) USER MOD Set 2.1: A 34 ASN : amide:sc= -0.276 K(o=-0.26,f=-1.6!) USER MOD Set 2.2: A 37 THR OG1 : rot -2:sc= 0.0198 USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 16 LYS NZ :NH3+ 162:sc= 1.33 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -160:sc= 1.1 (180deg=0.435) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0157 USER MOD Single : A 15 MET CE :methyl 177:sc= -0.648 (180deg=-0.698) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.185 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 167:sc= -0.171 (180deg=-0.371) USER MOD Single : A 40 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.014) USER MOD Single : A 43 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.562 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.611 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0779) USER MOD Single : A 77 THR OG1 : rot 24:sc= 0.213 USER MOD Single : A 80 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=0) USER MOD Single : A 81 TYR OH : rot 32:sc= 1.25 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= 1.59 (180deg=1.37) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.691 11.592 12.158 1.00 1.75 N ATOM 2 CA ARG A 1 -15.070 10.161 12.323 1.00 1.74 C ATOM 3 C ARG A 1 -16.423 9.818 11.694 1.00 1.77 C ATOM 4 O ARG A 1 -16.512 8.970 10.797 1.00 1.74 O ATOM 5 CB ARG A 1 -14.960 9.735 13.808 1.00 1.77 C ATOM 6 CG ARG A 1 -15.138 8.224 14.058 1.00 1.77 C ATOM 7 CD ARG A 1 -16.566 7.857 14.488 1.00 1.83 C ATOM 8 NE ARG A 1 -16.733 6.400 14.599 1.00 1.84 N ATOM 9 CZ ARG A 1 -16.526 5.621 15.639 1.00 1.86 C ATOM 10 NH1 ARG A 1 -16.112 6.069 16.789 1.00 1.89 N ATOM 11 NH2 ARG A 1 -16.742 4.347 15.510 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.664 11.696 12.286 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.955 11.913 11.205 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.189 12.167 12.868 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.351 9.566 11.760 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.985 10.040 14.189 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.711 10.276 14.384 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.885 7.678 13.149 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.437 7.903 14.829 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.791 8.325 15.446 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -17.279 8.253 13.765 1.00 1.83 H new ATOM 0 HE ARG A 1 -17.053 5.928 13.753 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -15.933 7.065 16.914 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.967 5.424 17.565 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -17.064 3.972 14.618 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -16.589 3.721 16.301 1.00 1.87 H new ATOM 27 N ALA A 2 -17.497 10.441 12.190 1.00 1.84 N ATOM 28 CA ALA A 2 -18.864 10.043 11.839 1.00 1.89 C ATOM 29 C ALA A 2 -19.209 10.261 10.357 1.00 1.88 C ATOM 30 O ALA A 2 -19.875 9.425 9.750 1.00 1.89 O ATOM 31 CB ALA A 2 -19.838 10.791 12.758 1.00 1.97 C ATOM 0 H ALA A 2 -17.445 11.226 12.839 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.951 8.967 11.989 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.861 10.507 12.512 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.630 10.533 13.796 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.716 11.865 12.620 1.00 1.97 H new ATOM 37 N ASP A 3 -18.711 11.343 9.755 1.00 1.87 N ATOM 38 CA ASP A 3 -18.944 11.631 8.336 1.00 1.88 C ATOM 39 C ASP A 3 -18.143 10.714 7.395 1.00 1.81 C ATOM 40 O ASP A 3 -18.646 10.356 6.333 1.00 1.82 O ATOM 41 CB ASP A 3 -18.603 13.104 8.075 1.00 1.90 C ATOM 42 CG ASP A 3 -19.017 13.556 6.664 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.239 13.607 6.382 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.129 13.911 5.853 1.00 1.89 O ATOM 0 H ASP A 3 -18.139 12.040 10.232 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.994 11.436 8.119 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.104 13.728 8.816 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.531 13.255 8.203 1.00 1.90 H new ATOM 49 N GLU A 4 -16.951 10.258 7.812 1.00 1.74 N ATOM 50 CA GLU A 4 -16.189 9.271 7.033 1.00 1.68 C ATOM 51 C GLU A 4 -16.929 7.936 7.055 1.00 1.69 C ATOM 52 O GLU A 4 -17.160 7.331 6.010 1.00 1.68 O ATOM 53 CB GLU A 4 -14.774 9.084 7.602 1.00 1.62 C ATOM 54 CG GLU A 4 -13.935 10.369 7.653 1.00 1.61 C ATOM 55 CD GLU A 4 -13.998 11.025 9.042 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.040 11.618 9.413 1.00 1.71 O ATOM 57 OE2 GLU A 4 -13.025 10.907 9.821 1.00 1.62 O ATOM 0 H GLU A 4 -16.498 10.554 8.676 1.00 1.74 H new ATOM 0 HA GLU A 4 -16.097 9.635 6.010 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.852 8.675 8.610 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -14.248 8.345 6.998 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.899 10.139 7.404 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.295 11.071 6.901 1.00 1.61 H new ATOM 64 N GLN A 5 -17.393 7.514 8.239 1.00 1.72 N ATOM 65 CA GLN A 5 -18.201 6.299 8.339 1.00 1.75 C ATOM 66 C GLN A 5 -19.499 6.398 7.519 1.00 1.81 C ATOM 67 O GLN A 5 -19.781 5.501 6.727 1.00 1.81 O ATOM 68 CB GLN A 5 -18.468 5.904 9.798 1.00 1.78 C ATOM 69 CG GLN A 5 -17.190 5.379 10.486 1.00 1.73 C ATOM 70 CD GLN A 5 -17.494 4.268 11.486 1.00 1.77 C ATOM 71 OE1 GLN A 5 -17.497 4.457 12.697 1.00 1.80 O ATOM 72 NE2 GLN A 5 -17.766 3.066 11.028 1.00 1.77 N ATOM 0 H GLN A 5 -17.225 7.989 9.126 1.00 1.72 H new ATOM 0 HA GLN A 5 -17.614 5.494 7.898 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.849 6.766 10.345 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -19.242 5.137 9.832 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -16.498 5.007 9.730 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.690 6.201 10.998 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -17.768 2.892 10.023 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -17.975 2.308 11.678 1.00 1.77 H new ATOM 81 N ALA A 6 -20.240 7.505 7.607 1.00 1.86 N ATOM 82 CA ALA A 6 -21.423 7.737 6.776 1.00 1.92 C ATOM 83 C ALA A 6 -21.103 7.658 5.270 1.00 1.90 C ATOM 84 O ALA A 6 -21.760 6.911 4.537 1.00 1.92 O ATOM 85 CB ALA A 6 -22.044 9.086 7.159 1.00 1.98 C ATOM 0 H ALA A 6 -20.037 8.265 8.256 1.00 1.86 H new ATOM 0 HA ALA A 6 -22.146 6.944 6.965 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.926 9.268 6.545 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -22.331 9.069 8.210 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.317 9.881 6.994 1.00 1.98 H new ATOM 91 N PHE A 7 -20.050 8.343 4.802 1.00 1.85 N ATOM 92 CA PHE A 7 -19.668 8.298 3.389 1.00 1.83 C ATOM 93 C PHE A 7 -18.987 6.984 2.972 1.00 1.77 C ATOM 94 O PHE A 7 -18.987 6.675 1.776 1.00 1.78 O ATOM 95 CB PHE A 7 -18.932 9.586 2.959 1.00 1.82 C ATOM 96 CG PHE A 7 -17.426 9.731 3.148 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.527 8.909 2.437 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.913 10.830 3.867 1.00 1.75 C ATOM 99 CE1 PHE A 7 -15.147 9.160 2.474 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.528 11.073 3.920 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.641 10.233 3.227 1.00 1.63 C ATOM 0 H PHE A 7 -19.451 8.932 5.381 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.590 8.284 2.808 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.136 9.731 1.898 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.401 10.414 3.490 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.904 8.079 1.859 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.591 11.493 4.383 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.470 8.525 1.921 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.147 11.905 4.493 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.577 10.411 3.273 1.00 1.63 H new ATOM 111 N LEU A 8 -18.533 6.143 3.924 1.00 1.73 N ATOM 112 CA LEU A 8 -18.058 4.807 3.525 1.00 1.69 C ATOM 113 C LEU A 8 -19.177 3.760 3.623 1.00 1.75 C ATOM 114 O LEU A 8 -19.059 2.700 3.016 1.00 1.73 O ATOM 115 CB LEU A 8 -16.826 4.414 4.364 1.00 1.63 C ATOM 116 CG LEU A 8 -15.533 4.238 3.554 1.00 1.56 C ATOM 117 CD1 LEU A 8 -15.567 2.923 2.785 1.00 1.55 C ATOM 118 CD2 LEU A 8 -15.208 5.403 2.614 1.00 1.55 C ATOM 0 H LEU A 8 -18.486 6.350 4.922 1.00 1.73 H new ATOM 0 HA LEU A 8 -17.758 4.842 2.478 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -16.662 5.177 5.125 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -17.041 3.483 4.888 1.00 1.63 H new ATOM 0 HG LEU A 8 -14.725 4.223 4.286 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -14.645 2.811 2.215 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -15.664 2.094 3.486 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -16.417 2.922 2.103 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -14.279 5.194 2.083 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -16.018 5.527 1.895 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -15.095 6.319 3.195 1.00 1.55 H new ATOM 130 N VAL A 9 -20.284 4.052 4.324 1.00 1.81 N ATOM 131 CA VAL A 9 -21.508 3.232 4.232 1.00 1.87 C ATOM 132 C VAL A 9 -22.214 3.522 2.899 1.00 1.92 C ATOM 133 O VAL A 9 -22.682 2.599 2.224 1.00 1.94 O ATOM 134 CB VAL A 9 -22.435 3.471 5.444 1.00 1.93 C ATOM 135 CG1 VAL A 9 -23.840 2.878 5.262 1.00 2.01 C ATOM 136 CG2 VAL A 9 -21.834 2.817 6.697 1.00 1.91 C ATOM 0 H VAL A 9 -20.359 4.846 4.959 1.00 1.81 H new ATOM 0 HA VAL A 9 -21.237 2.176 4.256 1.00 1.87 H new ATOM 0 HB VAL A 9 -22.521 4.553 5.542 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -24.439 3.082 6.150 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -24.316 3.330 4.392 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -23.764 1.801 5.115 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -22.492 2.989 7.549 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -21.727 1.745 6.532 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -20.856 3.252 6.901 1.00 1.91 H new ATOM 146 N ALA A 10 -22.208 4.785 2.459 1.00 1.93 N ATOM 147 CA ALA A 10 -22.649 5.144 1.112 1.00 1.97 C ATOM 148 C ALA A 10 -21.767 4.502 0.022 1.00 1.92 C ATOM 149 O ALA A 10 -22.306 3.904 -0.918 1.00 1.96 O ATOM 150 CB ALA A 10 -22.676 6.673 0.994 1.00 1.99 C ATOM 0 H ALA A 10 -21.900 5.578 3.022 1.00 1.93 H new ATOM 0 HA ALA A 10 -23.653 4.751 0.951 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -23.003 6.955 -0.007 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -23.367 7.083 1.731 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.677 7.070 1.174 1.00 1.99 H new ATOM 156 N LEU A 11 -20.428 4.542 0.170 1.00 1.84 N ATOM 157 CA LEU A 11 -19.554 3.756 -0.710 1.00 1.80 C ATOM 158 C LEU A 11 -19.840 2.262 -0.597 1.00 1.80 C ATOM 159 O LEU A 11 -19.909 1.620 -1.633 1.00 1.82 O ATOM 160 CB LEU A 11 -18.059 4.014 -0.479 1.00 1.71 C ATOM 161 CG LEU A 11 -17.160 3.178 -1.429 1.00 1.67 C ATOM 162 CD1 LEU A 11 -17.349 3.495 -2.914 1.00 1.71 C ATOM 163 CD2 LEU A 11 -15.693 3.428 -1.110 1.00 1.59 C ATOM 0 H LEU A 11 -19.941 5.097 0.874 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.789 4.094 -1.719 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.849 5.074 -0.624 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -17.808 3.778 0.555 1.00 1.71 H new ATOM 0 HG LEU A 11 -17.457 2.143 -1.260 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -16.684 2.868 -3.507 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -18.383 3.300 -3.199 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -17.115 4.544 -3.095 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -15.069 2.838 -1.781 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -15.467 4.486 -1.242 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -15.491 3.139 -0.079 1.00 1.59 H new ATOM 175 N TYR A 12 -20.028 1.689 0.595 1.00 1.80 N ATOM 176 CA TYR A 12 -20.327 0.261 0.750 1.00 1.81 C ATOM 177 C TYR A 12 -21.533 -0.158 -0.095 1.00 1.89 C ATOM 178 O TYR A 12 -21.441 -1.146 -0.826 1.00 1.89 O ATOM 179 CB TYR A 12 -20.527 -0.109 2.226 1.00 1.82 C ATOM 180 CG TYR A 12 -21.156 -1.473 2.454 1.00 1.86 C ATOM 181 CD1 TYR A 12 -20.534 -2.634 1.953 1.00 1.84 C ATOM 182 CD2 TYR A 12 -22.400 -1.572 3.111 1.00 1.94 C ATOM 183 CE1 TYR A 12 -21.158 -3.890 2.097 1.00 1.89 C ATOM 184 CE2 TYR A 12 -23.020 -2.826 3.266 1.00 1.99 C ATOM 185 CZ TYR A 12 -22.404 -3.989 2.756 1.00 1.96 C ATOM 186 OH TYR A 12 -23.009 -5.201 2.887 1.00 2.02 O ATOM 0 H TYR A 12 -19.978 2.199 1.477 1.00 1.80 H new ATOM 0 HA TYR A 12 -19.464 -0.293 0.382 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -19.560 -0.080 2.729 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -21.154 0.649 2.696 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -19.577 -2.561 1.458 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -22.878 -0.683 3.496 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -20.683 -4.777 1.703 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -23.969 -2.898 3.776 1.00 1.99 H new ATOM 0 HH TYR A 12 -23.857 -5.093 3.365 1.00 2.02 H new ATOM 196 N LYS A 13 -22.620 0.627 -0.076 1.00 1.95 N ATOM 197 CA LYS A 13 -23.752 0.402 -0.985 1.00 2.03 C ATOM 198 C LYS A 13 -23.332 0.522 -2.451 1.00 2.02 C ATOM 199 O LYS A 13 -23.500 -0.452 -3.192 1.00 2.05 O ATOM 200 CB LYS A 13 -24.919 1.330 -0.602 1.00 2.10 C ATOM 201 CG LYS A 13 -26.189 1.017 -1.411 1.00 2.18 C ATOM 202 CD LYS A 13 -27.380 1.916 -1.035 1.00 2.25 C ATOM 203 CE LYS A 13 -27.874 1.663 0.396 1.00 2.27 C ATOM 204 NZ LYS A 13 -29.078 2.480 0.710 1.00 2.34 N ATOM 0 H LYS A 13 -22.739 1.419 0.556 1.00 1.95 H new ATOM 0 HA LYS A 13 -24.105 -0.623 -0.873 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -25.131 1.226 0.462 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -24.628 2.367 -0.769 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -25.974 1.134 -2.473 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -26.465 -0.026 -1.254 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -27.089 2.962 -1.137 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -28.198 1.743 -1.735 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -28.108 0.606 0.520 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -27.079 1.898 1.103 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -29.386 2.285 1.684 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -28.847 3.490 0.616 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -29.844 2.237 0.050 1.00 2.34 H new ATOM 218 N TYR A 14 -22.735 1.643 -2.879 1.00 2.00 N ATOM 219 CA TYR A 14 -22.285 1.754 -4.274 1.00 2.00 C ATOM 220 C TYR A 14 -21.307 0.663 -4.748 1.00 1.95 C ATOM 221 O TYR A 14 -21.453 0.156 -5.857 1.00 1.99 O ATOM 222 CB TYR A 14 -21.675 3.151 -4.460 1.00 1.98 C ATOM 223 CG TYR A 14 -21.426 3.529 -5.907 1.00 2.01 C ATOM 224 CD1 TYR A 14 -22.498 3.981 -6.701 1.00 2.10 C ATOM 225 CD2 TYR A 14 -20.134 3.423 -6.463 1.00 1.96 C ATOM 226 CE1 TYR A 14 -22.286 4.324 -8.049 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.920 3.757 -7.816 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.997 4.207 -8.610 1.00 2.09 C ATOM 229 OH TYR A 14 -20.792 4.495 -9.926 1.00 2.13 O ATOM 0 H TYR A 14 -22.556 2.463 -2.300 1.00 2.00 H new ATOM 0 HA TYR A 14 -23.163 1.602 -4.902 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -22.340 3.889 -4.012 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -20.732 3.200 -3.915 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -23.486 4.065 -6.274 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -19.309 3.086 -5.853 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -23.109 4.676 -8.653 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.933 3.669 -8.245 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.846 4.362 -10.146 1.00 2.13 H new ATOM 239 N MET A 15 -20.334 0.259 -3.925 1.00 1.88 N ATOM 240 CA MET A 15 -19.337 -0.742 -4.297 1.00 1.83 C ATOM 241 C MET A 15 -19.918 -2.164 -4.272 1.00 1.86 C ATOM 242 O MET A 15 -19.545 -2.983 -5.114 1.00 1.86 O ATOM 243 CB MET A 15 -18.030 -0.568 -3.517 1.00 1.74 C ATOM 244 CG MET A 15 -18.057 -1.026 -2.059 1.00 1.72 C ATOM 245 SD MET A 15 -16.630 -0.501 -1.064 1.00 1.62 S ATOM 246 CE MET A 15 -15.231 -0.990 -2.112 1.00 1.57 C ATOM 0 H MET A 15 -20.218 0.621 -2.978 1.00 1.88 H new ATOM 0 HA MET A 15 -19.060 -0.573 -5.338 1.00 1.83 H new ATOM 0 HB2 MET A 15 -17.244 -1.117 -4.036 1.00 1.74 H new ATOM 0 HB3 MET A 15 -17.752 0.486 -3.542 1.00 1.74 H new ATOM 0 HG2 MET A 15 -18.966 -0.648 -1.592 1.00 1.72 H new ATOM 0 HG3 MET A 15 -18.116 -2.114 -2.036 1.00 1.72 H new ATOM 0 HE1 MET A 15 -14.298 -0.677 -1.643 1.00 1.57 H new ATOM 0 HE2 MET A 15 -15.230 -2.073 -2.235 1.00 1.57 H new ATOM 0 HE3 MET A 15 -15.324 -0.514 -3.088 1.00 1.57 H new ATOM 256 N LYS A 16 -20.902 -2.457 -3.402 1.00 1.90 N ATOM 257 CA LYS A 16 -21.679 -3.705 -3.491 1.00 1.96 C ATOM 258 C LYS A 16 -22.499 -3.758 -4.789 1.00 2.03 C ATOM 259 O LYS A 16 -22.520 -4.788 -5.458 1.00 2.05 O ATOM 260 CB LYS A 16 -22.541 -3.856 -2.228 1.00 1.99 C ATOM 261 CG LYS A 16 -23.261 -5.209 -2.172 1.00 2.05 C ATOM 262 CD LYS A 16 -23.669 -5.551 -0.732 1.00 2.07 C ATOM 263 CE LYS A 16 -24.431 -6.879 -0.699 1.00 2.13 C ATOM 264 NZ LYS A 16 -24.536 -7.402 0.685 1.00 2.15 N ATOM 0 H LYS A 16 -21.177 -1.848 -2.632 1.00 1.90 H new ATOM 0 HA LYS A 16 -21.002 -4.558 -3.536 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -21.911 -3.746 -1.346 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -23.278 -3.053 -2.196 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -24.145 -5.182 -2.809 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -22.609 -5.989 -2.565 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -22.783 -5.616 -0.101 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -24.293 -4.755 -0.324 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -25.429 -6.739 -1.115 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -23.923 -7.609 -1.329 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -25.293 -8.114 0.731 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -23.633 -7.838 0.961 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -24.756 -6.621 1.336 1.00 2.15 H new ATOM 278 N GLU A 17 -23.049 -2.618 -5.217 1.00 2.07 N ATOM 279 CA GLU A 17 -23.665 -2.475 -6.554 1.00 2.13 C ATOM 280 C GLU A 17 -22.631 -2.458 -7.719 1.00 2.10 C ATOM 281 O GLU A 17 -23.009 -2.370 -8.889 1.00 2.16 O ATOM 282 CB GLU A 17 -24.551 -1.212 -6.541 1.00 2.18 C ATOM 283 CG GLU A 17 -25.646 -1.204 -7.615 1.00 2.27 C ATOM 284 CD GLU A 17 -26.611 -0.019 -7.412 1.00 2.33 C ATOM 285 OE1 GLU A 17 -26.361 1.078 -7.969 1.00 2.34 O ATOM 286 OE2 GLU A 17 -27.636 -0.179 -6.706 1.00 2.37 O ATOM 0 H GLU A 17 -23.084 -1.768 -4.655 1.00 2.07 H new ATOM 0 HA GLU A 17 -24.274 -3.357 -6.752 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -25.018 -1.119 -5.561 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -23.918 -0.335 -6.677 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -25.190 -1.141 -8.603 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -26.202 -2.141 -7.579 1.00 2.27 H new ATOM 293 N ARG A 18 -21.328 -2.568 -7.407 1.00 2.02 N ATOM 294 CA ARG A 18 -20.252 -2.690 -8.418 1.00 1.99 C ATOM 295 C ARG A 18 -19.462 -4.009 -8.280 1.00 1.95 C ATOM 296 O ARG A 18 -18.338 -4.122 -8.774 1.00 1.90 O ATOM 297 CB ARG A 18 -19.365 -1.418 -8.425 1.00 1.94 C ATOM 298 CG ARG A 18 -19.847 -0.342 -9.416 1.00 2.01 C ATOM 299 CD ARG A 18 -21.043 0.483 -8.928 1.00 2.06 C ATOM 300 NE ARG A 18 -21.608 1.298 -10.020 1.00 2.13 N ATOM 301 CZ ARG A 18 -22.588 0.958 -10.841 1.00 2.22 C ATOM 302 NH1 ARG A 18 -23.202 -0.191 -10.777 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.970 1.786 -11.770 1.00 2.28 N ATOM 0 H ARG A 18 -20.986 -2.575 -6.446 1.00 2.02 H new ATOM 0 HA ARG A 18 -20.712 -2.752 -9.404 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -19.343 -0.993 -7.421 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -18.342 -1.699 -8.674 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -19.019 0.334 -9.630 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -20.115 -0.825 -10.356 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -21.810 -0.182 -8.532 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -20.731 1.132 -8.110 1.00 2.06 H new ATOM 0 HE ARG A 18 -21.199 2.223 -10.157 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -22.932 -0.875 -10.070 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.952 -0.406 -11.434 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.514 2.694 -11.863 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.725 1.527 -12.405 1.00 2.28 H new ATOM 317 N LYS A 19 -20.053 -5.026 -7.628 1.00 1.97 N ATOM 318 CA LYS A 19 -19.525 -6.397 -7.446 1.00 1.95 C ATOM 319 C LYS A 19 -18.224 -6.417 -6.633 1.00 1.86 C ATOM 320 O LYS A 19 -17.443 -7.371 -6.694 1.00 1.84 O ATOM 321 CB LYS A 19 -19.420 -7.137 -8.800 1.00 1.99 C ATOM 322 CG LYS A 19 -20.751 -7.171 -9.572 1.00 2.09 C ATOM 323 CD LYS A 19 -20.606 -7.935 -10.894 1.00 2.13 C ATOM 324 CE LYS A 19 -21.935 -7.918 -11.661 1.00 2.22 C ATOM 325 NZ LYS A 19 -21.826 -8.628 -12.963 1.00 2.27 N ATOM 0 H LYS A 19 -20.965 -4.910 -7.187 1.00 1.97 H new ATOM 0 HA LYS A 19 -20.243 -6.955 -6.845 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -18.662 -6.652 -9.415 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -19.082 -8.158 -8.624 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -21.518 -7.643 -8.958 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -21.085 -6.153 -9.772 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -19.821 -7.483 -11.500 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -20.304 -8.964 -10.697 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -22.711 -8.386 -11.055 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -22.243 -6.887 -11.833 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -22.743 -8.596 -13.453 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -21.103 -8.166 -13.551 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -21.556 -9.619 -12.797 1.00 2.27 H new ATOM 339 N THR A 20 -18.024 -5.358 -5.843 1.00 1.82 N ATOM 340 CA THR A 20 -16.803 -5.171 -5.059 1.00 1.73 C ATOM 341 C THR A 20 -17.135 -4.702 -3.630 1.00 1.72 C ATOM 342 O THR A 20 -16.677 -3.639 -3.221 1.00 1.68 O ATOM 343 CB THR A 20 -15.812 -4.223 -5.785 1.00 1.69 C ATOM 344 OG1 THR A 20 -15.689 -4.555 -7.154 1.00 1.72 O ATOM 345 CG2 THR A 20 -14.387 -4.303 -5.229 1.00 1.61 C ATOM 0 H THR A 20 -18.705 -4.607 -5.730 1.00 1.82 H new ATOM 0 HA THR A 20 -16.300 -6.134 -4.966 1.00 1.73 H new ATOM 0 HB THR A 20 -16.231 -3.228 -5.633 1.00 1.69 H new ATOM 0 HG1 THR A 20 -16.519 -4.327 -7.622 1.00 1.72 H new ATOM 0 HG21 THR A 20 -13.743 -3.617 -5.779 1.00 1.61 H new ATOM 0 HG22 THR A 20 -14.392 -4.029 -4.174 1.00 1.61 H new ATOM 0 HG23 THR A 20 -14.010 -5.320 -5.338 1.00 1.61 H new ATOM 353 N PRO A 21 -17.975 -5.426 -2.860 1.00 1.76 N ATOM 354 CA PRO A 21 -18.355 -5.026 -1.499 1.00 1.76 C ATOM 355 C PRO A 21 -17.172 -5.066 -0.515 1.00 1.69 C ATOM 356 O PRO A 21 -16.211 -5.811 -0.709 1.00 1.66 O ATOM 357 CB PRO A 21 -19.446 -6.020 -1.087 1.00 1.84 C ATOM 358 CG PRO A 21 -19.090 -7.282 -1.866 1.00 1.85 C ATOM 359 CD PRO A 21 -18.572 -6.716 -3.185 1.00 1.82 C ATOM 0 HA PRO A 21 -18.699 -3.992 -1.479 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -19.442 -6.198 -0.012 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -20.440 -5.655 -1.346 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -18.333 -7.876 -1.354 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -19.956 -7.927 -2.013 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -17.837 -7.384 -3.635 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -19.382 -6.601 -3.905 1.00 1.82 H new ATOM 367 N ILE A 22 -17.287 -4.355 0.612 1.00 1.68 N ATOM 368 CA ILE A 22 -16.335 -4.497 1.744 1.00 1.64 C ATOM 369 C ILE A 22 -16.328 -5.951 2.287 1.00 1.67 C ATOM 370 O ILE A 22 -15.337 -6.427 2.832 1.00 1.64 O ATOM 371 CB ILE A 22 -16.643 -3.418 2.817 1.00 1.64 C ATOM 372 CG1 ILE A 22 -16.395 -2.020 2.213 1.00 1.61 C ATOM 373 CG2 ILE A 22 -15.805 -3.608 4.097 1.00 1.61 C ATOM 374 CD1 ILE A 22 -16.733 -0.841 3.131 1.00 1.62 C ATOM 0 H ILE A 22 -18.027 -3.672 0.775 1.00 1.68 H new ATOM 0 HA ILE A 22 -15.315 -4.318 1.403 1.00 1.64 H new ATOM 0 HB ILE A 22 -17.688 -3.520 3.109 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -15.346 -1.947 1.927 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -16.982 -1.928 1.299 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -16.057 -2.829 4.816 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -16.019 -4.585 4.531 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -14.745 -3.545 3.851 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -16.523 0.095 2.613 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -17.789 -0.879 3.398 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -16.127 -0.899 4.035 1.00 1.62 H new ATOM 386 N GLU A 23 -17.422 -6.676 2.030 1.00 1.74 N ATOM 387 CA GLU A 23 -17.494 -8.135 2.248 1.00 1.78 C ATOM 388 C GLU A 23 -16.387 -8.968 1.541 1.00 1.75 C ATOM 389 O GLU A 23 -16.197 -10.134 1.902 1.00 1.78 O ATOM 390 CB GLU A 23 -18.888 -8.669 1.874 1.00 1.87 C ATOM 391 CG GLU A 23 -20.009 -8.047 2.715 1.00 1.91 C ATOM 392 CD GLU A 23 -21.360 -8.715 2.407 1.00 2.00 C ATOM 393 OE1 GLU A 23 -22.028 -8.308 1.427 1.00 2.02 O ATOM 394 OE2 GLU A 23 -21.767 -9.650 3.140 1.00 2.06 O ATOM 0 H GLU A 23 -18.285 -6.273 1.665 1.00 1.74 H new ATOM 0 HA GLU A 23 -17.311 -8.268 3.314 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -19.078 -8.469 0.819 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -18.903 -9.752 2.001 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -19.778 -8.156 3.775 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -20.072 -6.978 2.511 1.00 1.91 H new ATOM 401 N ARG A 24 -15.610 -8.397 0.596 1.00 1.69 N ATOM 402 CA ARG A 24 -14.397 -9.011 -0.006 1.00 1.65 C ATOM 403 C ARG A 24 -13.079 -8.288 0.349 1.00 1.57 C ATOM 404 O ARG A 24 -12.035 -8.576 -0.238 1.00 1.53 O ATOM 405 CB ARG A 24 -14.599 -9.247 -1.522 1.00 1.67 C ATOM 406 CG ARG A 24 -14.263 -8.057 -2.447 1.00 1.62 C ATOM 407 CD ARG A 24 -14.768 -8.271 -3.883 1.00 1.67 C ATOM 408 NE ARG A 24 -14.095 -9.393 -4.564 1.00 1.67 N ATOM 409 CZ ARG A 24 -14.362 -9.864 -5.773 1.00 1.72 C ATOM 410 NH1 ARG A 24 -15.300 -9.378 -6.538 1.00 1.77 N ATOM 411 NH2 ARG A 24 -13.667 -10.859 -6.247 1.00 1.72 N ATOM 0 H ARG A 24 -15.811 -7.471 0.217 1.00 1.69 H new ATOM 0 HA ARG A 24 -14.272 -9.990 0.457 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -13.986 -10.097 -1.821 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -15.639 -9.529 -1.690 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -14.706 -7.148 -2.041 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -13.184 -7.906 -2.463 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -15.842 -8.456 -3.862 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -14.613 -7.358 -4.458 1.00 1.67 H new ATOM 0 HE ARG A 24 -13.345 -9.855 -4.050 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -15.870 -8.597 -6.213 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -15.464 -9.779 -7.462 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -12.921 -11.272 -5.688 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -13.869 -11.225 -7.177 1.00 1.72 H new ATOM 425 N ILE A 25 -13.115 -7.378 1.327 1.00 1.55 N ATOM 426 CA ILE A 25 -12.003 -6.531 1.798 1.00 1.48 C ATOM 427 C ILE A 25 -11.899 -6.670 3.338 1.00 1.49 C ATOM 428 O ILE A 25 -12.350 -5.794 4.084 1.00 1.50 O ATOM 429 CB ILE A 25 -12.180 -5.059 1.333 1.00 1.45 C ATOM 430 CG1 ILE A 25 -12.587 -4.925 -0.155 1.00 1.46 C ATOM 431 CG2 ILE A 25 -10.850 -4.318 1.576 1.00 1.37 C ATOM 432 CD1 ILE A 25 -12.858 -3.482 -0.601 1.00 1.45 C ATOM 0 H ILE A 25 -13.974 -7.198 1.847 1.00 1.55 H new ATOM 0 HA ILE A 25 -11.063 -6.864 1.358 1.00 1.48 H new ATOM 0 HB ILE A 25 -12.996 -4.624 1.910 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -11.796 -5.344 -0.777 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -13.481 -5.523 -0.332 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -10.948 -3.280 1.257 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -10.604 -4.350 2.638 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -10.056 -4.799 1.005 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -13.137 -3.473 -1.655 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -13.671 -3.064 -0.007 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -11.959 -2.882 -0.459 1.00 1.45 H new ATOM 444 N PRO A 26 -11.469 -7.871 3.774 1.00 1.53 N ATOM 445 CA PRO A 26 -11.480 -8.279 5.184 1.00 1.57 C ATOM 446 C PRO A 26 -10.649 -7.482 6.167 1.00 1.52 C ATOM 447 O PRO A 26 -11.175 -7.053 7.194 1.00 1.50 O ATOM 448 CB PRO A 26 -11.000 -9.734 5.154 1.00 1.62 C ATOM 449 CG PRO A 26 -10.273 -9.894 3.865 1.00 1.59 C ATOM 450 CD PRO A 26 -10.895 -8.921 2.906 1.00 1.55 C ATOM 0 HA PRO A 26 -12.487 -8.111 5.567 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -10.347 -9.948 6.000 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -11.841 -10.425 5.217 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -9.210 -9.690 3.991 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -10.360 -10.915 3.494 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -10.154 -8.510 2.220 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -11.663 -9.398 2.297 1.00 1.55 H new ATOM 458 N TYR A 27 -9.381 -7.260 5.891 1.00 1.52 N ATOM 459 CA TYR A 27 -8.567 -6.597 6.895 1.00 1.49 C ATOM 460 C TYR A 27 -7.363 -5.828 6.364 1.00 1.38 C ATOM 461 O TYR A 27 -7.049 -5.827 5.178 1.00 1.34 O ATOM 462 CB TYR A 27 -8.070 -7.671 7.880 1.00 1.61 C ATOM 463 CG TYR A 27 -7.800 -9.029 7.232 1.00 1.65 C ATOM 464 CD1 TYR A 27 -7.077 -9.132 6.048 1.00 1.76 C ATOM 465 CD2 TYR A 27 -8.282 -10.205 7.800 1.00 1.91 C ATOM 466 CE1 TYR A 27 -6.842 -10.356 5.449 1.00 2.09 C ATOM 467 CE2 TYR A 27 -8.051 -11.437 7.204 1.00 2.21 C ATOM 468 CZ TYR A 27 -7.329 -11.506 6.028 1.00 2.29 C ATOM 469 OH TYR A 27 -7.105 -12.729 5.426 1.00 2.75 O ATOM 0 H TYR A 27 -8.906 -7.513 5.024 1.00 1.52 H new ATOM 0 HA TYR A 27 -9.206 -5.845 7.358 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -7.155 -7.318 8.356 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -8.811 -7.797 8.669 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.690 -8.236 5.586 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -8.845 -10.158 8.720 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -6.278 -10.410 4.530 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -8.434 -12.339 7.658 1.00 2.21 H new ATOM 0 HH TYR A 27 -7.514 -13.438 5.964 1.00 2.75 H new ATOM 479 N LEU A 28 -6.731 -5.150 7.315 1.00 1.39 N ATOM 480 CA LEU A 28 -5.505 -4.402 7.111 1.00 1.35 C ATOM 481 C LEU A 28 -4.372 -5.406 7.252 1.00 1.35 C ATOM 482 O LEU A 28 -4.614 -6.502 7.754 1.00 1.38 O ATOM 483 CB LEU A 28 -5.377 -3.287 8.151 1.00 1.42 C ATOM 484 CG LEU A 28 -4.340 -2.208 7.849 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.776 -1.369 6.655 1.00 1.58 C ATOM 486 CD2 LEU A 28 -4.128 -1.327 9.070 1.00 1.77 C ATOM 0 H LEU A 28 -7.071 -5.107 8.276 1.00 1.39 H new ATOM 0 HA LEU A 28 -5.488 -3.923 6.132 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -6.350 -2.808 8.263 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -5.133 -3.740 9.112 1.00 1.42 H new ATOM 0 HG LEU A 28 -3.395 -2.692 7.601 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -4.025 -0.605 6.454 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.885 -2.010 5.780 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.730 -0.891 6.875 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.386 -0.561 8.842 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -5.070 -0.850 9.343 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.776 -1.937 9.902 1.00 1.77 H new ATOM 583 N ASN A 34 -10.741 -1.099 8.372 1.00 1.56 N ATOM 584 CA ASN A 34 -11.121 0.293 8.676 1.00 1.58 C ATOM 585 C ASN A 34 -11.081 1.168 7.411 1.00 1.57 C ATOM 586 O ASN A 34 -11.239 0.654 6.300 1.00 1.91 O ATOM 587 CB ASN A 34 -10.194 0.848 9.764 1.00 1.60 C ATOM 588 CG ASN A 34 -10.941 1.480 10.926 1.00 1.73 C ATOM 589 OD1 ASN A 34 -12.087 1.132 11.212 1.00 2.14 O ATOM 590 ND2 ASN A 34 -10.281 2.405 11.614 1.00 2.10 N ATOM 0 HA ASN A 34 -12.147 0.308 9.044 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -9.565 0.042 10.141 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -9.530 1.590 9.321 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -10.723 2.857 12.414 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -9.332 2.663 11.342 1.00 2.10 H new ATOM 597 N LEU A 35 -10.882 2.485 7.573 1.00 1.38 N ATOM 598 CA LEU A 35 -10.813 3.379 6.411 1.00 1.34 C ATOM 599 C LEU A 35 -10.439 4.819 6.774 1.00 1.32 C ATOM 600 O LEU A 35 -9.418 5.325 6.315 1.00 1.28 O ATOM 601 CB LEU A 35 -12.144 3.374 5.642 1.00 1.40 C ATOM 602 CG LEU A 35 -12.085 3.946 4.216 1.00 1.43 C ATOM 603 CD1 LEU A 35 -12.166 5.463 4.226 1.00 1.47 C ATOM 604 CD2 LEU A 35 -10.818 3.493 3.504 1.00 1.52 C ATOM 0 H LEU A 35 -10.768 2.945 8.476 1.00 1.38 H new ATOM 0 HA LEU A 35 -10.015 2.988 5.780 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -12.509 2.348 5.589 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.876 3.944 6.214 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.948 3.562 3.672 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -12.122 5.836 3.203 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -13.104 5.774 4.686 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -11.330 5.868 4.797 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -10.798 3.910 2.497 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.946 3.840 4.058 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -10.802 2.405 3.447 1.00 1.52 H new ATOM 616 N TRP A 36 -11.292 5.480 7.563 1.00 1.37 N ATOM 617 CA TRP A 36 -11.086 6.886 7.957 1.00 1.37 C ATOM 618 C TRP A 36 -9.646 7.178 8.450 1.00 1.32 C ATOM 619 O TRP A 36 -9.125 8.271 8.235 1.00 1.31 O ATOM 620 CB TRP A 36 -12.107 7.302 9.025 1.00 1.45 C ATOM 621 CG TRP A 36 -12.184 6.384 10.206 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.782 5.159 10.252 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.664 6.627 11.516 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.654 4.620 11.506 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.973 5.502 12.302 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.963 7.683 12.101 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.607 5.404 13.640 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -10.599 7.587 13.430 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.923 6.453 14.187 1.00 1.66 C ATOM 0 H TRP A 36 -12.140 5.063 7.947 1.00 1.37 H new ATOM 0 HA TRP A 36 -11.236 7.482 7.057 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.858 8.304 9.376 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -13.092 7.362 8.563 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -13.283 4.683 9.422 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -13.009 3.710 11.799 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -10.710 8.560 11.524 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.854 4.531 14.225 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -10.056 8.398 13.893 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -10.626 6.407 15.224 1.00 1.66 H new ATOM 640 N THR A 37 -9.031 6.195 9.105 1.00 1.32 N ATOM 641 CA THR A 37 -7.655 6.290 9.630 1.00 1.29 C ATOM 642 C THR A 37 -6.598 6.220 8.523 1.00 1.23 C ATOM 643 O THR A 37 -5.740 7.097 8.470 1.00 1.21 O ATOM 644 CB THR A 37 -7.373 5.204 10.682 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.268 5.338 11.764 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.971 5.296 11.286 1.00 1.35 C ATOM 0 H THR A 37 -9.473 5.295 9.292 1.00 1.32 H new ATOM 0 HA THR A 37 -7.584 7.269 10.103 1.00 1.29 H new ATOM 0 HB THR A 37 -7.482 4.256 10.156 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.847 6.114 11.615 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.838 4.501 12.020 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.227 5.189 10.497 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.847 6.264 11.772 1.00 1.35 H new ATOM 654 N MET A 38 -6.652 5.243 7.605 1.00 1.20 N ATOM 655 CA MET A 38 -5.719 5.232 6.458 1.00 1.15 C ATOM 656 C MET A 38 -5.911 6.455 5.541 1.00 1.13 C ATOM 657 O MET A 38 -4.944 6.948 4.961 1.00 1.11 O ATOM 658 CB MET A 38 -5.760 3.918 5.658 1.00 1.14 C ATOM 659 CG MET A 38 -7.120 3.566 5.052 1.00 1.17 C ATOM 660 SD MET A 38 -7.036 2.489 3.596 1.00 1.17 S ATOM 661 CE MET A 38 -8.081 1.100 4.107 1.00 1.25 C ATOM 0 H MET A 38 -7.313 4.466 7.628 1.00 1.20 H new ATOM 0 HA MET A 38 -4.721 5.299 6.891 1.00 1.15 H new ATOM 0 HB2 MET A 38 -5.027 3.978 4.854 1.00 1.14 H new ATOM 0 HB3 MET A 38 -5.450 3.103 6.312 1.00 1.14 H new ATOM 0 HG2 MET A 38 -7.729 3.079 5.814 1.00 1.17 H new ATOM 0 HG3 MET A 38 -7.631 4.489 4.777 1.00 1.17 H new ATOM 0 HE1 MET A 38 -8.309 0.478 3.241 1.00 1.25 H new ATOM 0 HE2 MET A 38 -7.555 0.504 4.853 1.00 1.25 H new ATOM 0 HE3 MET A 38 -9.008 1.481 4.535 1.00 1.25 H new ATOM 671 N PHE A 39 -7.138 6.982 5.470 1.00 1.17 N ATOM 672 CA PHE A 39 -7.419 8.237 4.779 1.00 1.19 C ATOM 673 C PHE A 39 -6.720 9.428 5.434 1.00 1.20 C ATOM 674 O PHE A 39 -5.880 10.052 4.787 1.00 1.20 O ATOM 675 CB PHE A 39 -8.925 8.474 4.666 1.00 1.25 C ATOM 676 CG PHE A 39 -9.253 9.793 3.988 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.920 9.984 2.632 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.842 10.844 4.717 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.189 11.210 2.001 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.098 12.077 4.089 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.768 12.261 2.735 1.00 1.44 C ATOM 0 H PHE A 39 -7.960 6.549 5.890 1.00 1.17 H new ATOM 0 HA PHE A 39 -7.011 8.146 3.772 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -9.378 7.657 4.104 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.368 8.460 5.662 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.456 9.184 2.075 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.097 10.704 5.757 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.952 11.345 0.956 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.549 12.883 4.648 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.959 13.211 2.258 1.00 1.44 H new ATOM 691 N GLN A 40 -6.993 9.741 6.710 1.00 1.24 N ATOM 692 CA GLN A 40 -6.322 10.889 7.348 1.00 1.27 C ATOM 693 C GLN A 40 -4.792 10.710 7.440 1.00 1.25 C ATOM 694 O GLN A 40 -4.060 11.698 7.363 1.00 1.28 O ATOM 695 CB GLN A 40 -6.972 11.212 8.705 1.00 1.33 C ATOM 696 CG GLN A 40 -6.626 10.198 9.803 1.00 1.33 C ATOM 697 CD GLN A 40 -7.576 10.282 10.991 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.282 10.856 12.030 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.746 9.693 10.879 1.00 1.40 N ATOM 0 H GLN A 40 -7.650 9.237 7.305 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.467 11.756 6.703 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.655 12.205 9.024 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.054 11.248 8.582 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.657 9.191 9.387 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.605 10.370 10.144 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.995 9.213 10.014 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.405 9.716 11.657 1.00 1.40 H new ATOM 708 N ALA A 41 -4.297 9.469 7.516 1.00 1.21 N ATOM 709 CA ALA A 41 -2.875 9.162 7.381 1.00 1.20 C ATOM 710 C ALA A 41 -2.340 9.535 5.990 1.00 1.18 C ATOM 711 O ALA A 41 -1.394 10.313 5.891 1.00 1.21 O ATOM 712 CB ALA A 41 -2.646 7.681 7.698 1.00 1.18 C ATOM 0 H ALA A 41 -4.879 8.646 7.674 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.315 9.767 8.094 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.586 7.447 7.598 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.969 7.473 8.718 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -3.220 7.067 7.003 1.00 1.18 H new ATOM 718 N ALA A 42 -2.975 9.073 4.908 1.00 1.14 N ATOM 719 CA ALA A 42 -2.609 9.459 3.545 1.00 1.14 C ATOM 720 C ALA A 42 -2.663 10.980 3.328 1.00 1.20 C ATOM 721 O ALA A 42 -1.778 11.532 2.690 1.00 1.23 O ATOM 722 CB ALA A 42 -3.509 8.719 2.547 1.00 1.11 C ATOM 0 H ALA A 42 -3.758 8.420 4.955 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.571 9.170 3.379 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.238 9.005 1.531 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.379 7.644 2.668 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.551 8.982 2.732 1.00 1.11 H new ATOM 728 N GLN A 43 -3.647 11.669 3.915 1.00 1.23 N ATOM 729 CA GLN A 43 -3.774 13.127 3.792 1.00 1.31 C ATOM 730 C GLN A 43 -2.657 13.880 4.546 1.00 1.35 C ATOM 731 O GLN A 43 -2.296 14.991 4.151 1.00 1.42 O ATOM 732 CB GLN A 43 -5.168 13.593 4.245 1.00 1.35 C ATOM 733 CG GLN A 43 -6.316 13.092 3.345 1.00 1.35 C ATOM 734 CD GLN A 43 -6.164 13.471 1.869 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.898 14.610 1.508 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.306 12.531 0.957 1.00 1.35 N ATOM 0 H GLN A 43 -4.374 11.237 4.485 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.657 13.373 2.737 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.342 13.249 5.265 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.187 14.683 4.268 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.380 12.007 3.426 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.258 13.495 3.717 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.528 11.576 1.239 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -6.194 12.758 -0.031 1.00 1.35 H new ATOM 745 N LYS A 44 -2.061 13.250 5.567 1.00 1.33 N ATOM 746 CA LYS A 44 -0.865 13.786 6.237 1.00 1.39 C ATOM 747 C LYS A 44 0.393 13.505 5.416 1.00 1.39 C ATOM 748 O LYS A 44 1.181 14.416 5.158 1.00 1.45 O ATOM 749 CB LYS A 44 -0.784 13.188 7.653 1.00 1.39 C ATOM 750 CG LYS A 44 0.281 13.876 8.518 1.00 1.47 C ATOM 751 CD LYS A 44 0.453 13.207 9.888 1.00 1.49 C ATOM 752 CE LYS A 44 -0.863 13.131 10.678 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.628 12.634 12.056 1.00 1.53 N ATOM 0 H LYS A 44 -2.389 12.363 5.950 1.00 1.33 H new ATOM 0 HA LYS A 44 -0.938 14.870 6.321 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.756 13.277 8.138 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.559 12.124 7.583 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.235 13.865 7.990 1.00 1.47 H new ATOM 0 HG3 LYS A 44 0.008 14.922 8.660 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.848 12.201 9.750 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.190 13.762 10.469 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.325 14.117 10.717 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.562 12.472 10.164 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.532 12.592 12.569 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.208 11.683 12.015 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 0.021 13.278 12.551 1.00 1.53 H new ATOM 767 N LEU A 45 0.522 12.264 4.939 1.00 1.32 N ATOM 768 CA LEU A 45 1.597 11.873 4.017 1.00 1.32 C ATOM 769 C LEU A 45 1.429 12.419 2.560 1.00 1.34 C ATOM 770 O LEU A 45 2.161 11.987 1.665 1.00 1.34 O ATOM 771 CB LEU A 45 1.822 10.333 4.114 1.00 1.27 C ATOM 772 CG LEU A 45 2.488 9.735 5.391 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.722 10.528 5.827 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.563 9.613 6.600 1.00 1.29 C ATOM 0 H LEU A 45 -0.113 11.502 5.179 1.00 1.32 H new ATOM 0 HA LEU A 45 2.516 12.366 4.336 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.851 9.853 3.996 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.430 10.037 3.259 1.00 1.27 H new ATOM 0 HG LEU A 45 2.765 8.729 5.076 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.150 10.073 6.720 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.461 10.521 5.026 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.435 11.556 6.046 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.114 9.188 7.439 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.190 10.600 6.874 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.723 8.964 6.352 1.00 1.29 H new ATOM 786 N GLY A 46 0.518 13.381 2.317 1.00 1.36 N ATOM 787 CA GLY A 46 0.496 14.135 1.034 1.00 1.42 C ATOM 788 C GLY A 46 -0.587 13.757 0.003 1.00 1.40 C ATOM 789 O GLY A 46 -0.421 13.973 -1.201 1.00 1.44 O ATOM 0 H GLY A 46 -0.207 13.657 2.979 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.382 15.193 1.268 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.469 14.017 0.558 1.00 1.42 H new ATOM 793 N GLY A 47 -1.684 13.191 0.500 1.00 1.34 N ATOM 794 CA GLY A 47 -2.722 12.572 -0.321 1.00 1.32 C ATOM 795 C GLY A 47 -2.224 11.397 -1.167 1.00 1.28 C ATOM 796 O GLY A 47 -1.024 11.125 -1.274 1.00 1.27 O ATOM 0 H GLY A 47 -1.880 13.149 1.500 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.526 12.225 0.328 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -3.148 13.327 -0.981 1.00 1.32 H new ATOM 800 N TYR A 48 -3.167 10.721 -1.828 1.00 1.27 N ATOM 801 CA TYR A 48 -2.840 9.693 -2.828 1.00 1.26 C ATOM 802 C TYR A 48 -1.867 10.179 -3.926 1.00 1.32 C ATOM 803 O TYR A 48 -1.180 9.370 -4.550 1.00 1.31 O ATOM 804 CB TYR A 48 -4.143 9.164 -3.438 1.00 1.28 C ATOM 805 CG TYR A 48 -3.994 7.858 -4.199 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.957 6.640 -3.495 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.906 7.859 -5.605 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.867 5.420 -4.190 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.797 6.643 -6.304 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.789 5.421 -5.600 1.00 1.27 C ATOM 811 OH TYR A 48 -3.711 4.250 -6.288 1.00 1.29 O ATOM 0 H TYR A 48 -4.167 10.865 -1.690 1.00 1.27 H new ATOM 0 HA TYR A 48 -2.309 8.892 -2.314 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.873 9.025 -2.641 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.547 9.919 -4.112 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.998 6.642 -2.416 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.922 8.793 -6.146 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.858 4.486 -3.647 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -3.719 6.645 -7.381 1.00 1.33 H new ATOM 0 HH TYR A 48 -3.665 4.438 -7.249 1.00 1.29 H new ATOM 821 N GLU A 49 -1.765 11.493 -4.155 1.00 1.39 N ATOM 822 CA GLU A 49 -0.920 12.035 -5.231 1.00 1.47 C ATOM 823 C GLU A 49 0.569 12.034 -4.870 1.00 1.46 C ATOM 824 O GLU A 49 1.382 11.529 -5.651 1.00 1.48 O ATOM 825 CB GLU A 49 -1.393 13.446 -5.601 1.00 1.57 C ATOM 826 CG GLU A 49 -2.686 13.377 -6.422 1.00 1.61 C ATOM 827 CD GLU A 49 -3.308 14.766 -6.613 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.766 15.591 -7.389 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.366 15.025 -5.993 1.00 1.72 O ATOM 0 H GLU A 49 -2.256 12.203 -3.611 1.00 1.39 H new ATOM 0 HA GLU A 49 -1.026 11.379 -6.095 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.560 14.030 -4.696 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.619 13.958 -6.172 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.476 12.935 -7.396 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.401 12.723 -5.922 1.00 1.61 H new ATOM 836 N THR A 50 0.950 12.507 -3.675 1.00 1.44 N ATOM 837 CA THR A 50 2.323 12.337 -3.169 1.00 1.45 C ATOM 838 C THR A 50 2.633 10.857 -2.959 1.00 1.37 C ATOM 839 O THR A 50 3.730 10.404 -3.281 1.00 1.40 O ATOM 840 CB THR A 50 2.576 13.110 -1.866 1.00 1.46 C ATOM 841 OG1 THR A 50 2.283 14.479 -2.051 1.00 1.54 O ATOM 842 CG2 THR A 50 4.034 13.044 -1.405 1.00 1.50 C ATOM 0 H THR A 50 0.329 13.010 -3.040 1.00 1.44 H new ATOM 0 HA THR A 50 2.989 12.751 -3.927 1.00 1.45 H new ATOM 0 HB THR A 50 1.936 12.643 -1.118 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.349 14.649 -1.809 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.149 13.609 -0.480 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.315 12.005 -1.233 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.678 13.471 -2.173 1.00 1.50 H new ATOM 850 N ILE A 51 1.646 10.077 -2.504 1.00 1.30 N ATOM 851 CA ILE A 51 1.777 8.618 -2.393 1.00 1.24 C ATOM 852 C ILE A 51 2.158 7.966 -3.731 1.00 1.27 C ATOM 853 O ILE A 51 3.069 7.141 -3.767 1.00 1.27 O ATOM 854 CB ILE A 51 0.484 8.044 -1.754 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.677 7.737 -0.258 1.00 1.14 C ATOM 856 CG2 ILE A 51 -0.072 6.798 -2.452 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.782 9.004 0.605 1.00 1.17 C ATOM 0 H ILE A 51 0.739 10.435 -2.204 1.00 1.30 H new ATOM 0 HA ILE A 51 2.609 8.372 -1.733 1.00 1.24 H new ATOM 0 HB ILE A 51 -0.252 8.838 -1.883 1.00 1.18 H new ATOM 0 HG12 ILE A 51 -0.159 7.132 0.094 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.580 7.140 -0.129 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.975 6.466 -1.939 1.00 1.15 H new ATOM 0 HG22 ILE A 51 -0.311 7.037 -3.488 1.00 1.15 H new ATOM 0 HG23 ILE A 51 0.673 6.003 -2.426 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.917 8.723 1.649 1.00 1.17 H new ATOM 0 HD12 ILE A 51 1.634 9.599 0.276 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.131 9.591 0.502 1.00 1.17 H new ATOM 869 N THR A 52 1.512 8.350 -4.828 1.00 1.30 N ATOM 870 CA THR A 52 1.815 7.788 -6.159 1.00 1.35 C ATOM 871 C THR A 52 3.138 8.311 -6.714 1.00 1.42 C ATOM 872 O THR A 52 3.895 7.542 -7.311 1.00 1.45 O ATOM 873 CB THR A 52 0.661 8.072 -7.131 1.00 1.39 C ATOM 874 OG1 THR A 52 -0.498 7.439 -6.631 1.00 1.34 O ATOM 875 CG2 THR A 52 0.881 7.495 -8.531 1.00 1.45 C ATOM 0 H THR A 52 0.771 9.051 -4.831 1.00 1.30 H new ATOM 0 HA THR A 52 1.923 6.709 -6.046 1.00 1.35 H new ATOM 0 HB THR A 52 0.581 9.156 -7.209 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.871 7.971 -5.897 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.025 7.735 -9.162 1.00 1.45 H new ATOM 0 HG22 THR A 52 1.784 7.926 -8.964 1.00 1.45 H new ATOM 0 HG23 THR A 52 0.991 6.413 -8.465 1.00 1.45 H new ATOM 883 N ALA A 53 3.464 9.578 -6.454 1.00 1.47 N ATOM 884 CA ALA A 53 4.749 10.156 -6.848 1.00 1.55 C ATOM 885 C ALA A 53 5.957 9.595 -6.063 1.00 1.54 C ATOM 886 O ALA A 53 7.081 9.677 -6.572 1.00 1.61 O ATOM 887 CB ALA A 53 4.650 11.678 -6.683 1.00 1.61 C ATOM 0 H ALA A 53 2.848 10.229 -5.967 1.00 1.47 H new ATOM 0 HA ALA A 53 4.938 9.881 -7.886 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.596 12.137 -6.970 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.852 12.062 -7.319 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.431 11.918 -5.642 1.00 1.61 H new ATOM 893 N ARG A 54 5.750 9.037 -4.854 1.00 1.47 N ATOM 894 CA ARG A 54 6.877 8.696 -3.948 1.00 1.49 C ATOM 895 C ARG A 54 6.851 7.290 -3.323 1.00 1.44 C ATOM 896 O ARG A 54 7.827 6.917 -2.674 1.00 1.48 O ATOM 897 CB ARG A 54 6.941 9.742 -2.814 1.00 1.51 C ATOM 898 CG ARG A 54 7.168 11.204 -3.245 1.00 1.59 C ATOM 899 CD ARG A 54 8.528 11.457 -3.919 1.00 1.68 C ATOM 900 NE ARG A 54 9.669 11.117 -3.044 1.00 1.72 N ATOM 901 CZ ARG A 54 10.182 11.847 -2.069 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.712 13.021 -1.751 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.195 11.404 -1.381 1.00 1.82 N ATOM 0 H ARG A 54 4.827 8.813 -4.481 1.00 1.47 H new ATOM 0 HA ARG A 54 7.760 8.704 -4.587 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.010 9.692 -2.250 1.00 1.51 H new ATOM 0 HB3 ARG A 54 7.742 9.458 -2.132 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.374 11.496 -3.932 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.084 11.847 -2.369 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.590 10.870 -4.835 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.596 12.506 -4.208 1.00 1.68 H new ATOM 0 HE ARG A 54 10.112 10.214 -3.212 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.919 13.408 -2.262 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.138 13.552 -0.991 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.596 10.490 -1.594 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.588 11.971 -0.629 1.00 1.82 H new ATOM 917 N ARG A 55 5.775 6.509 -3.504 1.00 1.37 N ATOM 918 CA ARG A 55 5.505 5.239 -2.781 1.00 1.32 C ATOM 919 C ARG A 55 5.617 5.463 -1.269 1.00 1.31 C ATOM 920 O ARG A 55 6.376 4.818 -0.545 1.00 1.35 O ATOM 921 CB ARG A 55 6.345 4.072 -3.354 1.00 1.37 C ATOM 922 CG ARG A 55 6.380 4.008 -4.897 1.00 1.40 C ATOM 923 CD ARG A 55 5.000 3.920 -5.574 1.00 1.35 C ATOM 924 NE ARG A 55 4.909 4.809 -6.753 1.00 1.40 N ATOM 925 CZ ARG A 55 5.330 4.581 -7.981 1.00 1.46 C ATOM 926 NH1 ARG A 55 5.905 3.466 -8.337 1.00 1.49 N ATOM 927 NH2 ARG A 55 5.174 5.504 -8.882 1.00 1.51 N ATOM 0 H ARG A 55 5.043 6.743 -4.175 1.00 1.37 H new ATOM 0 HA ARG A 55 4.476 4.921 -2.949 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.366 4.159 -2.983 1.00 1.37 H new ATOM 0 HB3 ARG A 55 5.946 3.132 -2.973 1.00 1.37 H new ATOM 0 HG2 ARG A 55 6.896 4.892 -5.271 1.00 1.40 H new ATOM 0 HG3 ARG A 55 6.971 3.143 -5.197 1.00 1.40 H new ATOM 0 HD2 ARG A 55 4.810 2.891 -5.879 1.00 1.35 H new ATOM 0 HD3 ARG A 55 4.225 4.188 -4.856 1.00 1.35 H new ATOM 0 HE ARG A 55 4.464 5.713 -6.596 1.00 1.40 H new ATOM 0 HH11 ARG A 55 6.046 2.723 -7.652 1.00 1.49 H new ATOM 0 HH12 ARG A 55 6.214 3.336 -9.300 1.00 1.49 H new ATOM 0 HH21 ARG A 55 4.731 6.389 -8.634 1.00 1.51 H new ATOM 0 HH22 ARG A 55 5.494 5.344 -9.837 1.00 1.51 H new ATOM 941 N GLN A 56 4.818 6.441 -0.831 1.00 1.28 N ATOM 942 CA GLN A 56 4.871 6.939 0.548 1.00 1.29 C ATOM 943 C GLN A 56 4.051 6.073 1.530 1.00 1.24 C ATOM 944 O GLN A 56 4.034 6.372 2.722 1.00 1.25 O ATOM 945 CB GLN A 56 4.447 8.421 0.592 1.00 1.30 C ATOM 946 CG GLN A 56 5.250 9.273 1.594 1.00 1.37 C ATOM 947 CD GLN A 56 6.542 9.829 0.993 1.00 1.46 C ATOM 948 OE1 GLN A 56 6.532 10.778 0.220 1.00 1.49 O ATOM 949 NE2 GLN A 56 7.704 9.297 1.305 1.00 1.51 N ATOM 0 H GLN A 56 4.123 6.906 -1.415 1.00 1.28 H new ATOM 0 HA GLN A 56 5.904 6.864 0.886 1.00 1.29 H new ATOM 0 HB2 GLN A 56 4.557 8.850 -0.404 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.389 8.478 0.848 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.630 10.100 1.940 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.491 8.668 2.468 1.00 1.37 H new ATOM 0 HE21 GLN A 56 7.747 8.505 1.946 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.562 9.676 0.905 1.00 1.51 H new ATOM 958 N TRP A 57 3.409 4.982 1.079 1.00 1.19 N ATOM 959 CA TRP A 57 2.702 4.028 1.953 1.00 1.17 C ATOM 960 C TRP A 57 3.574 3.473 3.079 1.00 1.24 C ATOM 961 O TRP A 57 3.071 3.261 4.179 1.00 1.24 O ATOM 962 CB TRP A 57 2.084 2.874 1.155 1.00 1.15 C ATOM 963 CG TRP A 57 0.910 3.255 0.322 1.00 1.11 C ATOM 964 CD1 TRP A 57 0.928 3.525 -1.000 1.00 1.11 C ATOM 965 CD2 TRP A 57 -0.472 3.417 0.757 1.00 1.07 C ATOM 966 NE1 TRP A 57 -0.344 3.871 -1.404 1.00 1.09 N ATOM 967 CE2 TRP A 57 -1.247 3.838 -0.363 1.00 1.07 C ATOM 968 CE3 TRP A 57 -1.145 3.271 1.988 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -2.615 4.128 -0.261 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -2.518 3.542 2.101 1.00 1.06 C ATOM 971 CH2 TRP A 57 -3.247 3.974 0.982 1.00 1.06 C ATOM 0 H TRP A 57 3.365 4.735 0.090 1.00 1.19 H new ATOM 0 HA TRP A 57 1.904 4.607 2.418 1.00 1.17 H new ATOM 0 HB2 TRP A 57 2.849 2.447 0.507 1.00 1.15 H new ATOM 0 HB3 TRP A 57 1.781 2.091 1.850 1.00 1.15 H new ATOM 0 HD1 TRP A 57 1.798 3.478 -1.638 1.00 1.11 H new ATOM 0 HE1 TRP A 57 -0.588 4.122 -2.362 1.00 1.09 H new ATOM 0 HE3 TRP A 57 -0.595 2.945 2.858 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -3.172 4.464 -1.123 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -3.015 3.418 3.052 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -4.301 4.189 1.078 1.00 1.06 H new ATOM 982 N LYS A 58 4.871 3.350 2.876 1.00 1.32 N ATOM 983 CA LYS A 58 5.733 2.885 3.957 1.00 1.42 C ATOM 984 C LYS A 58 5.648 3.852 5.154 1.00 1.43 C ATOM 985 O LYS A 58 5.836 3.452 6.302 1.00 1.51 O ATOM 986 CB LYS A 58 7.170 2.748 3.463 1.00 1.54 C ATOM 987 CG LYS A 58 7.297 1.838 2.252 1.00 1.98 C ATOM 988 CD LYS A 58 6.839 0.418 2.550 1.00 2.07 C ATOM 989 CE LYS A 58 6.395 -0.294 1.282 1.00 2.58 C ATOM 990 NZ LYS A 58 7.470 -0.323 0.255 1.00 2.89 N ATOM 0 H LYS A 58 5.347 3.558 1.998 1.00 1.32 H new ATOM 0 HA LYS A 58 5.394 1.903 4.287 1.00 1.42 H new ATOM 0 HB2 LYS A 58 7.558 3.735 3.211 1.00 1.54 H new ATOM 0 HB3 LYS A 58 7.790 2.358 4.270 1.00 1.54 H new ATOM 0 HG2 LYS A 58 6.706 2.244 1.431 1.00 1.98 H new ATOM 0 HG3 LYS A 58 8.335 1.821 1.920 1.00 1.98 H new ATOM 0 HD2 LYS A 58 7.652 -0.138 3.017 1.00 2.07 H new ATOM 0 HD3 LYS A 58 6.016 0.441 3.265 1.00 2.07 H new ATOM 0 HE2 LYS A 58 6.097 -1.314 1.524 1.00 2.58 H new ATOM 0 HE3 LYS A 58 5.517 0.206 0.874 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.177 -0.931 -0.537 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 7.643 0.641 -0.094 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 8.343 -0.700 0.677 1.00 2.89 H new ATOM 1004 N HIS A 59 5.370 5.132 4.861 1.00 1.39 N ATOM 1005 CA HIS A 59 5.212 6.168 5.890 1.00 1.40 C ATOM 1006 C HIS A 59 3.823 6.071 6.556 1.00 1.32 C ATOM 1007 O HIS A 59 3.671 6.381 7.735 1.00 1.35 O ATOM 1008 CB HIS A 59 5.483 7.550 5.296 1.00 1.43 C ATOM 1009 CG HIS A 59 6.888 7.696 4.777 1.00 1.58 C ATOM 1010 ND1 HIS A 59 7.826 8.520 5.360 1.00 1.81 N ATOM 1011 CD2 HIS A 59 7.514 7.100 3.731 1.00 1.59 C ATOM 1012 CE1 HIS A 59 8.966 8.429 4.694 1.00 1.93 C ATOM 1013 NE2 HIS A 59 8.804 7.572 3.702 1.00 1.79 N ATOM 0 H HIS A 59 5.249 5.475 3.908 1.00 1.39 H new ATOM 0 HA HIS A 59 5.948 6.005 6.677 1.00 1.40 H new ATOM 0 HB2 HIS A 59 4.780 7.736 4.484 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.301 8.309 6.056 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.079 6.386 3.047 1.00 1.59 H new ATOM 0 HE1 HIS A 59 9.875 8.965 4.923 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.519 7.305 3.026 1.00 1.79 H new ATOM 1022 N ILE A 60 2.803 5.701 5.768 1.00 1.23 N ATOM 1023 CA ILE A 60 1.455 5.427 6.287 1.00 1.20 C ATOM 1024 C ILE A 60 1.580 4.250 7.250 1.00 1.27 C ATOM 1025 O ILE A 60 1.086 4.354 8.361 1.00 1.33 O ATOM 1026 CB ILE A 60 0.416 5.188 5.170 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.140 6.536 4.468 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.884 4.583 5.739 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.712 6.424 3.201 1.00 1.14 C ATOM 0 H ILE A 60 2.888 5.584 4.758 1.00 1.23 H new ATOM 0 HA ILE A 60 1.070 6.301 6.813 1.00 1.20 H new ATOM 0 HB ILE A 60 0.810 4.471 4.450 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -0.361 7.202 5.171 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.092 7.000 4.212 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -1.597 4.426 4.930 1.00 1.18 H new ATOM 0 HG22 ILE A 60 -0.662 3.629 6.218 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -1.313 5.266 6.472 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.858 7.415 2.772 1.00 1.14 H new ATOM 0 HD12 ILE A 60 -0.205 5.786 2.477 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.681 5.991 3.451 1.00 1.14 H new ATOM 1238 N THR A 77 -2.154 -2.365 1.167 1.00 1.35 N ATOM 1239 CA THR A 77 -3.147 -1.393 1.622 1.00 1.39 C ATOM 1240 C THR A 77 -3.516 -0.445 0.481 1.00 1.34 C ATOM 1241 O THR A 77 -4.628 0.080 0.423 1.00 1.38 O ATOM 1242 CB THR A 77 -2.617 -0.570 2.819 1.00 1.41 C ATOM 1243 OG1 THR A 77 -2.035 -1.441 3.798 1.00 1.48 O ATOM 1244 CG2 THR A 77 -3.732 0.245 3.461 1.00 1.49 C ATOM 0 HA THR A 77 -4.030 -1.945 1.943 1.00 1.39 H new ATOM 0 HB THR A 77 -1.858 0.116 2.444 1.00 1.41 H new ATOM 0 HG1 THR A 77 -1.754 -2.275 3.368 1.00 1.48 H new ATOM 0 HG21 THR A 77 -3.330 0.814 4.300 1.00 1.49 H new ATOM 0 HG22 THR A 77 -4.151 0.931 2.725 1.00 1.49 H new ATOM 0 HG23 THR A 77 -4.513 -0.426 3.818 1.00 1.49 H new ATOM 1252 N ARG A 78 -2.555 -0.238 -0.423 1.00 1.27 N ATOM 1253 CA ARG A 78 -2.734 0.623 -1.589 1.00 1.25 C ATOM 1254 C ARG A 78 -3.802 0.054 -2.528 1.00 1.30 C ATOM 1255 O ARG A 78 -4.558 0.798 -3.154 1.00 1.29 O ATOM 1256 CB ARG A 78 -1.386 0.764 -2.322 1.00 1.25 C ATOM 1257 CG ARG A 78 -1.491 1.102 -3.804 1.00 1.33 C ATOM 1258 CD ARG A 78 -0.204 0.754 -4.547 1.00 1.40 C ATOM 1259 NE ARG A 78 0.343 1.898 -5.278 1.00 1.56 N ATOM 1260 CZ ARG A 78 1.623 2.013 -5.640 1.00 1.92 C ATOM 1261 NH1 ARG A 78 2.496 1.052 -5.353 1.00 2.01 N ATOM 1262 NH2 ARG A 78 2.030 3.091 -6.296 1.00 2.42 N ATOM 0 H ARG A 78 -1.630 -0.665 -0.365 1.00 1.27 H new ATOM 0 HA ARG A 78 -3.073 1.606 -1.261 1.00 1.25 H new ATOM 0 HB2 ARG A 78 -0.801 1.540 -1.828 1.00 1.25 H new ATOM 0 HB3 ARG A 78 -0.833 -0.169 -2.216 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -2.326 0.557 -4.245 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -1.705 2.164 -3.922 1.00 1.33 H new ATOM 0 HD2 ARG A 78 0.538 0.393 -3.835 1.00 1.40 H new ATOM 0 HD3 ARG A 78 -0.399 -0.060 -5.245 1.00 1.40 H new ATOM 0 HE ARG A 78 -0.294 2.655 -5.527 1.00 1.56 H new ATOM 0 HH11 ARG A 78 2.190 0.218 -4.852 1.00 2.01 H new ATOM 0 HH12 ARG A 78 3.472 1.149 -5.634 1.00 2.01 H new ATOM 0 HH21 ARG A 78 1.366 3.831 -6.523 1.00 2.42 H new ATOM 0 HH22 ARG A 78 3.007 3.180 -6.573 1.00 2.42 H new ATOM 1276 N ARG A 79 -3.863 -1.275 -2.597 1.00 1.37 N ATOM 1277 CA ARG A 79 -4.811 -1.975 -3.456 1.00 1.45 C ATOM 1278 C ARG A 79 -6.247 -1.936 -2.921 1.00 1.48 C ATOM 1279 O ARG A 79 -7.198 -2.001 -3.700 1.00 1.54 O ATOM 1280 CB ARG A 79 -4.358 -3.420 -3.723 1.00 1.52 C ATOM 1281 CG ARG A 79 -2.949 -3.500 -4.342 1.00 1.51 C ATOM 1282 CD ARG A 79 -2.550 -4.938 -4.699 1.00 1.59 C ATOM 1283 NE ARG A 79 -3.329 -5.464 -5.840 1.00 1.67 N ATOM 1284 CZ ARG A 79 -3.276 -6.687 -6.336 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -2.493 -7.603 -5.840 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -4.013 -7.019 -7.356 1.00 1.82 N ATOM 0 H ARG A 79 -3.257 -1.894 -2.059 1.00 1.37 H new ATOM 0 HA ARG A 79 -4.821 -1.437 -4.404 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -4.371 -3.979 -2.787 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -5.071 -3.902 -4.392 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -2.913 -2.882 -5.239 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -2.223 -3.087 -3.642 1.00 1.51 H new ATOM 0 HD2 ARG A 79 -1.488 -4.970 -4.941 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -2.699 -5.581 -3.832 1.00 1.59 H new ATOM 0 HE ARG A 79 -3.974 -4.815 -6.291 1.00 1.67 H new ATOM 0 HH11 ARG A 79 -1.895 -7.386 -5.043 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -2.478 -8.537 -6.249 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -4.638 -6.332 -7.779 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -3.966 -7.966 -7.733 1.00 1.82 H new ATOM 1300 N HIS A 80 -6.410 -1.785 -1.606 1.00 1.47 N ATOM 1301 CA HIS A 80 -7.697 -1.517 -0.965 1.00 1.50 C ATOM 1302 C HIS A 80 -8.105 -0.049 -1.166 1.00 1.44 C ATOM 1303 O HIS A 80 -9.189 0.214 -1.678 1.00 1.48 O ATOM 1304 CB HIS A 80 -7.622 -1.920 0.520 1.00 1.52 C ATOM 1305 CG HIS A 80 -7.201 -3.358 0.735 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -6.441 -3.837 1.781 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -7.497 -4.438 -0.063 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -6.286 -5.163 1.618 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -6.910 -5.579 0.504 1.00 1.74 N ATOM 0 H HIS A 80 -5.636 -1.847 -0.944 1.00 1.47 H new ATOM 0 HA HIS A 80 -8.478 -2.118 -1.430 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -6.918 -1.263 1.031 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -8.597 -1.762 0.981 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -8.081 -4.412 -0.971 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -5.736 -5.805 2.290 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -6.949 -6.532 0.143 1.00 1.74 H new ATOM 1318 N TYR A 81 -7.220 0.918 -0.873 1.00 1.35 N ATOM 1319 CA TYR A 81 -7.501 2.357 -1.001 1.00 1.29 C ATOM 1320 C TYR A 81 -7.955 2.757 -2.412 1.00 1.32 C ATOM 1321 O TYR A 81 -8.879 3.562 -2.554 1.00 1.34 O ATOM 1322 CB TYR A 81 -6.249 3.148 -0.579 1.00 1.21 C ATOM 1323 CG TYR A 81 -6.426 4.658 -0.424 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -6.557 5.486 -1.560 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -6.399 5.244 0.857 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.685 6.882 -1.414 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.453 6.645 1.000 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.611 7.472 -0.133 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.727 8.819 0.023 1.00 1.11 O ATOM 0 H TYR A 81 -6.278 0.720 -0.536 1.00 1.35 H new ATOM 0 HA TYR A 81 -8.336 2.597 -0.343 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -5.893 2.746 0.369 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -5.466 2.969 -1.316 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -6.559 5.047 -2.547 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -6.337 4.616 1.734 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.840 7.502 -2.284 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -6.373 7.088 1.982 1.00 1.12 H new ATOM 0 HH TYR A 81 -7.332 9.177 -0.660 1.00 1.11 H new ATOM 1339 N GLU A 82 -7.381 2.153 -3.465 1.00 1.34 N ATOM 1340 CA GLU A 82 -7.687 2.487 -4.856 1.00 1.39 C ATOM 1341 C GLU A 82 -9.089 2.031 -5.290 1.00 1.50 C ATOM 1342 O GLU A 82 -9.526 2.359 -6.397 1.00 1.56 O ATOM 1343 CB GLU A 82 -6.583 2.011 -5.814 1.00 1.40 C ATOM 1344 CG GLU A 82 -6.572 0.509 -6.077 1.00 1.46 C ATOM 1345 CD GLU A 82 -5.646 0.159 -7.255 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -6.056 0.385 -8.422 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -4.528 -0.364 -7.027 1.00 1.46 O ATOM 0 H GLU A 82 -6.686 1.413 -3.368 1.00 1.34 H new ATOM 0 HA GLU A 82 -7.707 3.575 -4.915 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -6.696 2.532 -6.765 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -5.615 2.302 -5.405 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -6.241 -0.018 -5.182 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -7.584 0.167 -6.292 1.00 1.46 H new ATOM 1354 N ARG A 83 -9.799 1.293 -4.417 1.00 1.53 N ATOM 1355 CA ARG A 83 -11.221 0.980 -4.611 1.00 1.64 C ATOM 1356 C ARG A 83 -12.117 1.388 -3.434 1.00 1.64 C ATOM 1357 O ARG A 83 -13.337 1.319 -3.572 1.00 1.73 O ATOM 1358 CB ARG A 83 -11.404 -0.518 -4.927 1.00 1.73 C ATOM 1359 CG ARG A 83 -10.729 -1.002 -6.217 1.00 1.75 C ATOM 1360 CD ARG A 83 -11.306 -0.347 -7.484 1.00 1.81 C ATOM 1361 NE ARG A 83 -10.590 -0.811 -8.688 1.00 1.84 N ATOM 1362 CZ ARG A 83 -9.408 -0.389 -9.107 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -8.813 0.648 -8.601 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -8.768 -1.024 -10.046 1.00 1.82 N ATOM 0 H ARG A 83 -9.403 0.900 -3.563 1.00 1.53 H new ATOM 0 HA ARG A 83 -11.546 1.582 -5.460 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -11.013 -1.099 -4.092 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -12.471 -0.731 -4.992 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -9.661 -0.792 -6.161 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -10.838 -2.084 -6.293 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -12.366 -0.586 -7.571 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -11.229 0.737 -7.405 1.00 1.81 H new ATOM 0 HE ARG A 83 -11.051 -1.526 -9.251 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -9.257 1.174 -7.848 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -7.901 0.937 -8.956 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -9.177 -1.858 -10.468 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -7.857 -0.688 -10.360 1.00 1.82 H new ATOM 1378 N LEU A 84 -11.539 1.837 -2.314 1.00 1.56 N ATOM 1379 CA LEU A 84 -12.291 2.025 -1.068 1.00 1.57 C ATOM 1380 C LEU A 84 -12.346 3.497 -0.624 1.00 1.51 C ATOM 1381 O LEU A 84 -13.114 3.833 0.270 1.00 1.54 O ATOM 1382 CB LEU A 84 -11.625 1.109 -0.028 1.00 1.56 C ATOM 1383 CG LEU A 84 -12.339 0.980 1.318 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -13.747 0.412 1.183 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -11.542 0.052 2.229 1.00 1.61 C ATOM 0 H LEU A 84 -10.550 2.077 -2.245 1.00 1.56 H new ATOM 0 HA LEU A 84 -13.339 1.757 -1.201 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -11.529 0.113 -0.461 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -10.615 1.476 0.154 1.00 1.56 H new ATOM 0 HG LEU A 84 -12.413 1.985 1.734 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -14.207 0.342 2.169 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -14.344 1.067 0.549 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -13.698 -0.580 0.734 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -12.050 -0.040 3.189 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -11.460 -0.931 1.765 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -10.545 0.463 2.385 1.00 1.61 H new ATOM 1397 N ILE A 85 -11.564 4.379 -1.260 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.732 5.836 -1.087 1.00 1.41 C ATOM 1399 C ILE A 85 -11.157 6.666 -2.234 1.00 1.39 C ATOM 1400 O ILE A 85 -11.663 7.759 -2.459 1.00 1.42 O ATOM 1401 CB ILE A 85 -11.223 6.315 0.284 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.674 7.772 0.544 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.707 6.159 0.426 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.748 8.144 2.024 1.00 1.33 C ATOM 0 H ILE A 85 -10.812 4.116 -1.896 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.808 6.009 -1.117 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.668 5.676 1.046 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.983 8.450 0.043 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.654 7.924 0.092 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -9.396 6.510 1.410 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -9.437 5.109 0.314 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -9.207 6.747 -0.344 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -12.071 9.180 2.123 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.461 7.492 2.528 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.764 8.026 2.478 1.00 1.33 H new ATOM 1416 N LEU A 86 -10.214 6.160 -3.037 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.825 6.809 -4.296 1.00 1.39 C ATOM 1418 C LEU A 86 -11.037 7.201 -5.187 1.00 1.49 C ATOM 1419 O LEU A 86 -11.034 8.320 -5.708 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.820 5.904 -5.025 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.273 6.436 -6.362 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.585 7.797 -6.217 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -7.265 5.456 -6.950 1.00 1.40 C ATOM 0 H LEU A 86 -9.704 5.300 -2.837 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.348 7.761 -4.063 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.977 5.721 -4.358 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -9.296 4.941 -5.208 1.00 1.37 H new ATOM 0 HG LEU A 86 -9.134 6.550 -7.020 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.218 8.125 -7.190 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.299 8.526 -5.834 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.748 7.710 -5.524 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.887 5.846 -7.895 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.436 5.325 -6.254 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.750 4.495 -7.122 1.00 1.40 H new ATOM 1435 N PRO A 87 -12.107 6.379 -5.327 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.327 6.798 -6.028 1.00 1.69 C ATOM 1437 C PRO A 87 -14.221 7.794 -5.260 1.00 1.71 C ATOM 1438 O PRO A 87 -15.074 8.415 -5.900 1.00 1.80 O ATOM 1439 CB PRO A 87 -14.087 5.505 -6.345 1.00 1.78 C ATOM 1440 CG PRO A 87 -13.644 4.549 -5.243 1.00 1.71 C ATOM 1441 CD PRO A 87 -12.187 4.946 -5.033 1.00 1.59 C ATOM 0 HA PRO A 87 -13.044 7.359 -6.919 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -15.166 5.660 -6.331 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.833 5.123 -7.334 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -14.234 4.674 -4.335 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -13.742 3.506 -5.546 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.871 4.740 -4.010 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -11.530 4.377 -5.690 1.00 1.59 H new ATOM 1449 N TYR A 88 -14.058 7.981 -3.937 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.927 8.873 -3.144 1.00 1.66 C ATOM 1451 C TYR A 88 -14.254 10.184 -2.700 1.00 1.59 C ATOM 1452 O TYR A 88 -14.926 11.212 -2.683 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.598 8.097 -1.993 1.00 1.68 C ATOM 1454 CG TYR A 88 -17.069 7.758 -2.233 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.522 7.320 -3.499 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.998 7.884 -1.181 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.882 7.019 -3.706 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -19.362 7.593 -1.385 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.808 7.156 -2.650 1.00 2.05 C ATOM 1460 OH TYR A 88 -21.121 6.864 -2.859 1.00 2.17 O ATOM 0 H TYR A 88 -13.328 7.523 -3.391 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.718 9.215 -3.811 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -15.047 7.171 -1.825 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.518 8.686 -1.079 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.820 7.216 -4.313 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.661 8.207 -0.207 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -19.217 6.682 -4.676 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -20.065 7.705 -0.573 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.624 7.010 -2.031 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.931 10.246 -2.493 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.220 11.536 -2.331 1.00 1.46 C ATOM 1472 C GLU A 89 -12.416 12.466 -3.554 1.00 1.53 C ATOM 1473 O GLU A 89 -12.219 13.677 -3.464 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.722 11.347 -2.002 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.862 10.789 -3.149 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.355 10.928 -2.850 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.804 10.125 -2.059 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.710 11.842 -3.426 1.00 1.29 O ATOM 0 H GLU A 89 -12.328 9.426 -2.433 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.675 12.028 -1.471 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.310 12.309 -1.696 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.637 10.677 -1.147 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.106 9.739 -3.310 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.100 11.316 -4.073 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.902 11.884 -4.663 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.358 12.646 -5.833 1.00 1.71 C ATOM 1487 C ARG A 90 -14.372 13.757 -5.499 1.00 1.78 C ATOM 1488 O ARG A 90 -14.295 14.819 -6.114 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.903 11.645 -6.870 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.132 12.277 -8.249 1.00 1.89 C ATOM 1491 CD ARG A 90 -14.512 11.202 -9.275 1.00 1.97 C ATOM 1492 NE ARG A 90 -14.694 11.780 -10.621 1.00 2.08 N ATOM 1493 CZ ARG A 90 -14.828 11.116 -11.755 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -14.830 9.811 -11.801 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -14.965 11.754 -12.881 1.00 2.25 N ATOM 0 H ARG A 90 -12.989 10.874 -4.772 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.507 13.189 -6.246 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.203 10.815 -6.968 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.843 11.229 -6.506 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.923 13.024 -8.186 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.229 12.795 -8.573 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -13.735 10.438 -9.308 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.432 10.708 -8.962 1.00 1.97 H new ATOM 0 HE ARG A 90 -14.719 12.798 -10.682 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.726 9.270 -10.942 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -14.936 9.332 -12.695 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -14.969 12.774 -12.892 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.068 11.234 -13.752 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.262 13.584 -4.508 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.130 14.691 -4.050 1.00 1.84 C ATOM 1511 C PHE A 91 -15.383 15.729 -3.189 1.00 1.78 C ATOM 1512 O PHE A 91 -15.723 16.911 -3.223 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.416 14.185 -3.360 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.286 13.534 -1.990 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.997 14.307 -0.843 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.508 12.150 -1.841 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.832 13.686 0.408 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.332 11.532 -0.593 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.963 12.295 0.523 1.00 1.70 C ATOM 0 H PHE A 91 -15.402 12.703 -4.012 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.440 15.214 -4.954 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.098 15.030 -3.264 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.892 13.466 -4.027 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.902 15.380 -0.927 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.816 11.561 -2.693 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.604 14.281 1.280 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.481 10.467 -0.493 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.780 11.812 1.471 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.329 15.323 -2.469 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.540 16.248 -1.629 1.00 1.62 C ATOM 1531 C ILE A 92 -12.652 17.125 -2.522 1.00 1.64 C ATOM 1532 O ILE A 92 -12.549 18.334 -2.332 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.680 15.461 -0.603 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.547 14.491 0.235 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -11.924 16.437 0.321 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.767 13.584 1.193 1.00 1.43 C ATOM 0 H ILE A 92 -13.998 14.358 -2.448 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.223 16.888 -1.070 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.956 14.866 -1.160 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.262 15.075 0.814 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.124 13.864 -0.445 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.325 15.872 1.035 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.271 17.073 -0.277 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -12.641 17.057 0.859 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.463 12.942 1.734 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.071 12.967 0.624 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.212 14.197 1.903 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.058 16.505 -3.543 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.059 17.152 -4.406 1.00 1.66 C ATOM 1550 C LYS A 93 -11.668 17.792 -5.662 1.00 1.78 C ATOM 1551 O LYS A 93 -10.964 18.459 -6.423 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.026 16.062 -4.728 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.666 16.608 -5.176 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.584 15.534 -5.017 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.827 14.322 -5.924 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.836 13.257 -5.655 1.00 1.41 N ATOM 0 H LYS A 93 -12.254 15.537 -3.798 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.594 17.997 -3.898 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.883 15.438 -3.845 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.424 15.418 -5.512 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.720 16.929 -6.216 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.406 17.486 -4.585 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.610 15.966 -5.246 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.551 15.206 -3.978 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.834 13.937 -5.762 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.766 14.626 -6.969 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.886 12.539 -6.405 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.881 13.669 -5.633 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.043 12.814 -4.737 1.00 1.41 H new ATOM 1570 N GLY A 94 -12.980 17.616 -5.844 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.716 18.178 -6.980 1.00 1.97 C ATOM 1572 C GLY A 94 -14.848 19.130 -6.580 1.00 2.05 C ATOM 1573 O GLY A 94 -15.273 19.926 -7.416 1.00 2.15 O ATOM 0 H GLY A 94 -13.564 17.077 -5.204 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -13.017 18.711 -7.624 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -14.133 17.361 -7.569 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.318 19.098 -5.322 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.459 19.909 -4.848 1.00 2.08 C ATOM 1579 C GLU A 95 -16.299 20.454 -3.410 1.00 2.02 C ATOM 1580 O GLU A 95 -17.282 20.802 -2.750 1.00 2.07 O ATOM 1581 CB GLU A 95 -17.785 19.129 -5.007 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.109 18.690 -6.443 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.510 18.061 -6.524 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.504 18.797 -6.753 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.635 16.819 -6.378 1.00 2.26 O ATOM 0 H GLU A 95 -14.915 18.504 -4.597 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.482 20.792 -5.487 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.747 18.244 -4.372 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.602 19.751 -4.640 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.053 19.549 -7.111 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.364 17.972 -6.784 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.060 20.569 -2.918 1.00 1.94 N ATOM 1593 CA GLU A 96 -14.754 21.188 -1.613 1.00 1.90 C ATOM 1594 C GLU A 96 -13.352 21.833 -1.520 1.00 1.87 C ATOM 1595 O GLU A 96 -13.234 22.970 -1.062 1.00 1.92 O ATOM 1596 CB GLU A 96 -14.954 20.155 -0.483 1.00 1.82 C ATOM 1597 CG GLU A 96 -14.932 20.804 0.906 1.00 1.81 C ATOM 1598 CD GLU A 96 -15.288 19.783 2.005 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -16.492 19.629 2.329 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -14.367 19.144 2.569 1.00 1.68 O ATOM 0 H GLU A 96 -14.233 20.235 -3.413 1.00 1.94 H new ATOM 0 HA GLU A 96 -15.456 22.014 -1.500 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -15.904 19.641 -0.627 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.171 19.399 -0.541 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -13.944 21.221 1.100 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -15.639 21.633 0.934 1.00 1.81 H new ATOM 1607 N ASP A 97 -12.316 21.123 -1.955 1.00 1.80 N ATOM 1608 CA ASP A 97 -10.959 21.658 -1.897 1.00 1.78 C ATOM 1609 C ASP A 97 -10.087 21.069 -2.998 1.00 1.87 C ATOM 1610 O ASP A 97 -10.325 19.958 -3.462 1.00 2.33 O ATOM 1611 CB ASP A 97 -10.333 21.364 -0.531 1.00 1.78 C ATOM 1612 CG ASP A 97 -9.540 22.539 0.008 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -10.160 23.459 0.581 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -8.300 22.539 -0.143 1.00 2.20 O ATOM 0 H ASP A 97 -12.388 20.185 -2.348 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.018 22.736 -2.045 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -11.120 21.105 0.178 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -9.679 20.496 -0.613 1.00 1.78 H new