USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 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= -1.7! K(o=-3.8!,f=-0.67) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -2.08! K(o=-3.8!,f=-0.67) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 173:sc= 1.34 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.11 (180deg=0.335) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0103 USER MOD Single : A 15 MET CE :methyl 167:sc= -1.16 (180deg=-1.42) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.188 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0763 K(o=-0.076,f=0.81) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 150:sc= -0.049 (180deg=-1.02) USER MOD Single : A 40 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.12) USER MOD Single : A 43 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) 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 90:sc= 0.56 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.613 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 16:sc= 1.13 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 1.28 (180deg=0.996) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.673 11.170 9.445 1.00 1.75 N ATOM 2 CA ARG A 1 -14.895 9.718 9.697 1.00 1.74 C ATOM 3 C ARG A 1 -16.203 9.195 9.098 1.00 1.77 C ATOM 4 O ARG A 1 -16.201 8.292 8.251 1.00 1.74 O ATOM 5 CB ARG A 1 -14.738 9.393 11.202 1.00 1.77 C ATOM 6 CG ARG A 1 -14.751 7.889 11.541 1.00 1.77 C ATOM 7 CD ARG A 1 -16.131 7.395 12.000 1.00 1.83 C ATOM 8 NE ARG A 1 -16.139 5.937 12.197 1.00 1.84 N ATOM 9 CZ ARG A 1 -15.847 5.248 13.279 1.00 1.86 C ATOM 10 NH1 ARG A 1 -15.485 5.804 14.399 1.00 1.89 N ATOM 11 NH2 ARG A 1 -15.926 3.953 13.226 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.666 11.395 9.577 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.955 11.400 8.471 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.243 11.729 10.112 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.115 9.173 9.165 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.802 9.823 11.557 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.542 9.882 11.751 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.440 7.321 10.664 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.020 7.691 12.325 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.406 7.891 12.931 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.882 7.668 11.259 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.408 5.385 11.383 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -15.417 6.820 14.466 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.269 5.224 15.210 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.209 3.494 12.360 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -15.705 3.394 14.050 1.00 1.87 H new ATOM 27 N ALA A 2 -17.339 9.727 9.564 1.00 1.84 N ATOM 28 CA ALA A 2 -18.654 9.163 9.247 1.00 1.89 C ATOM 29 C ALA A 2 -19.022 9.256 7.757 1.00 1.88 C ATOM 30 O ALA A 2 -19.594 8.319 7.203 1.00 1.89 O ATOM 31 CB ALA A 2 -19.702 9.854 10.126 1.00 1.97 C ATOM 0 H ALA A 2 -17.372 10.551 10.164 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.623 8.095 9.461 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.689 9.447 9.904 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.466 9.682 11.176 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.698 10.925 9.924 1.00 1.97 H new ATOM 37 N ASP A 3 -18.644 10.349 7.090 1.00 1.87 N ATOM 38 CA ASP A 3 -18.908 10.527 5.658 1.00 1.88 C ATOM 39 C ASP A 3 -18.013 9.649 4.766 1.00 1.81 C ATOM 40 O ASP A 3 -18.476 9.176 3.730 1.00 1.82 O ATOM 41 CB ASP A 3 -18.729 12.010 5.310 1.00 1.90 C ATOM 42 CG ASP A 3 -19.190 12.332 3.878 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.411 12.233 3.602 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.346 12.733 3.042 1.00 1.89 O ATOM 0 H ASP A 3 -18.150 11.130 7.522 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.931 10.207 5.461 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.294 12.618 6.017 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.680 12.283 5.422 1.00 1.90 H new ATOM 49 N GLU A 4 -16.778 9.349 5.199 1.00 1.74 N ATOM 50 CA GLU A 4 -15.915 8.407 4.474 1.00 1.68 C ATOM 51 C GLU A 4 -16.506 7.002 4.578 1.00 1.69 C ATOM 52 O GLU A 4 -16.671 6.316 3.571 1.00 1.68 O ATOM 53 CB GLU A 4 -14.489 8.405 5.044 1.00 1.62 C ATOM 54 CG GLU A 4 -13.792 9.775 5.013 1.00 1.61 C ATOM 55 CD GLU A 4 -13.924 10.500 6.363 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.025 10.998 6.707 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.945 10.534 7.140 1.00 1.62 O ATOM 0 H GLU A 4 -16.358 9.743 6.041 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.864 8.720 3.431 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.523 8.051 6.074 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.887 7.691 4.482 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.738 9.644 4.770 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.227 10.389 4.224 1.00 1.61 H new ATOM 64 N GLN A 5 -16.920 6.602 5.789 1.00 1.72 N ATOM 65 CA GLN A 5 -17.593 5.316 5.964 1.00 1.75 C ATOM 66 C GLN A 5 -18.894 5.226 5.149 1.00 1.81 C ATOM 67 O GLN A 5 -19.077 4.259 4.411 1.00 1.81 O ATOM 68 CB GLN A 5 -17.813 4.979 7.446 1.00 1.78 C ATOM 69 CG GLN A 5 -16.486 4.637 8.152 1.00 1.73 C ATOM 70 CD GLN A 5 -16.667 3.559 9.219 1.00 1.77 C ATOM 71 OE1 GLN A 5 -16.689 3.818 10.415 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.808 2.310 8.833 1.00 1.77 N ATOM 0 H GLN A 5 -16.802 7.143 6.646 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.923 4.554 5.565 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.285 5.825 7.946 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.499 4.136 7.530 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.759 4.298 7.414 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.077 5.537 8.611 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.792 2.078 7.840 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.934 1.573 9.527 1.00 1.77 H new ATOM 81 N ALA A 6 -19.751 6.250 5.179 1.00 1.86 N ATOM 82 CA ALA A 6 -20.952 6.304 4.343 1.00 1.92 C ATOM 83 C ALA A 6 -20.626 6.173 2.843 1.00 1.90 C ATOM 84 O ALA A 6 -21.199 5.318 2.158 1.00 1.92 O ATOM 85 CB ALA A 6 -21.715 7.598 4.652 1.00 1.98 C ATOM 0 H ALA A 6 -19.632 7.063 5.783 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.585 5.449 4.581 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.612 7.648 4.034 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.998 7.611 5.704 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.078 8.456 4.437 1.00 1.98 H new ATOM 91 N PHE A 7 -19.655 6.938 2.327 1.00 1.85 N ATOM 92 CA PHE A 7 -19.270 6.853 0.918 1.00 1.83 C ATOM 93 C PHE A 7 -18.451 5.598 0.573 1.00 1.77 C ATOM 94 O PHE A 7 -18.419 5.222 -0.605 1.00 1.78 O ATOM 95 CB PHE A 7 -18.678 8.185 0.408 1.00 1.82 C ATOM 96 CG PHE A 7 -17.197 8.503 0.578 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.216 7.743 -0.091 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.805 9.692 1.229 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.871 8.144 -0.078 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.454 10.085 1.258 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.483 9.307 0.609 1.00 1.63 C ATOM 0 H PHE A 7 -19.124 7.621 2.867 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.186 6.706 0.345 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.897 8.244 -0.658 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.234 8.988 0.892 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.502 6.845 -0.618 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.550 10.308 1.711 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.130 7.556 -0.599 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.165 10.985 1.780 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.444 9.600 0.637 1.00 1.63 H new ATOM 111 N LEU A 8 -17.908 4.868 1.566 1.00 1.73 N ATOM 112 CA LEU A 8 -17.292 3.571 1.243 1.00 1.69 C ATOM 113 C LEU A 8 -18.292 2.416 1.410 1.00 1.75 C ATOM 114 O LEU A 8 -18.060 1.342 0.863 1.00 1.73 O ATOM 115 CB LEU A 8 -16.024 3.361 2.095 1.00 1.63 C ATOM 116 CG LEU A 8 -14.719 3.279 1.287 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.613 1.926 0.595 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.524 4.417 0.280 1.00 1.55 C ATOM 0 H LEU A 8 -17.882 5.137 2.550 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.998 3.579 0.194 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.943 4.179 2.810 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.137 2.443 2.672 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.913 3.393 2.011 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.684 1.880 0.026 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.620 1.133 1.343 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.459 1.795 -0.080 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.579 4.280 -0.245 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.343 4.411 -0.439 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.511 5.371 0.807 1.00 1.55 H new ATOM 130 N VAL A 9 -19.423 2.626 2.099 1.00 1.81 N ATOM 131 CA VAL A 9 -20.551 1.676 2.064 1.00 1.87 C ATOM 132 C VAL A 9 -21.285 1.810 0.722 1.00 1.92 C ATOM 133 O VAL A 9 -21.651 0.804 0.105 1.00 1.94 O ATOM 134 CB VAL A 9 -21.497 1.883 3.267 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.830 1.131 3.129 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.829 1.372 4.551 1.00 1.91 C ATOM 0 H VAL A 9 -19.584 3.444 2.687 1.00 1.81 H new ATOM 0 HA VAL A 9 -20.168 0.659 2.148 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.699 2.954 3.303 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.447 1.320 4.008 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.353 1.478 2.238 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.637 0.062 3.044 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.502 1.521 5.395 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.607 0.310 4.448 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.903 1.921 4.723 1.00 1.91 H new ATOM 146 N ALA A 10 -21.416 3.038 0.209 1.00 1.93 N ATOM 147 CA ALA A 10 -21.895 3.268 -1.153 1.00 1.97 C ATOM 148 C ALA A 10 -20.949 2.664 -2.211 1.00 1.92 C ATOM 149 O ALA A 10 -21.422 1.955 -3.110 1.00 1.96 O ATOM 150 CB ALA A 10 -22.086 4.776 -1.358 1.00 1.99 C ATOM 0 H ALA A 10 -21.195 3.891 0.722 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.850 2.760 -1.284 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.443 4.963 -2.371 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.816 5.151 -0.640 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.135 5.287 -1.209 1.00 1.99 H new ATOM 156 N LEU A 11 -19.621 2.856 -2.073 1.00 1.84 N ATOM 157 CA LEU A 11 -18.669 2.119 -2.913 1.00 1.80 C ATOM 158 C LEU A 11 -18.791 0.612 -2.712 1.00 1.80 C ATOM 159 O LEU A 11 -18.791 -0.093 -3.708 1.00 1.82 O ATOM 160 CB LEU A 11 -17.209 2.549 -2.708 1.00 1.71 C ATOM 161 CG LEU A 11 -16.227 1.762 -3.615 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.450 1.970 -5.113 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.796 2.187 -3.321 1.00 1.59 C ATOM 0 H LEU A 11 -19.196 3.499 -1.405 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.941 2.371 -3.938 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.115 3.615 -2.915 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.933 2.401 -1.664 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.411 0.712 -3.385 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.722 1.384 -5.674 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.457 1.648 -5.379 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.331 3.026 -5.355 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.112 1.630 -3.962 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.686 3.254 -3.514 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.563 1.982 -2.276 1.00 1.59 H new ATOM 175 N TYR A 12 -18.915 0.092 -1.488 1.00 1.80 N ATOM 176 CA TYR A 12 -19.058 -1.348 -1.249 1.00 1.81 C ATOM 177 C TYR A 12 -20.213 -1.944 -2.059 1.00 1.89 C ATOM 178 O TYR A 12 -20.014 -2.957 -2.734 1.00 1.89 O ATOM 179 CB TYR A 12 -19.216 -1.652 0.248 1.00 1.82 C ATOM 180 CG TYR A 12 -19.692 -3.060 0.558 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.950 -4.173 0.121 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.919 -3.254 1.229 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.433 -5.479 0.342 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.399 -4.556 1.460 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.660 -5.673 1.014 1.00 1.96 C ATOM 186 OH TYR A 12 -21.132 -6.935 1.219 1.00 2.02 O ATOM 0 H TYR A 12 -18.919 0.654 -0.637 1.00 1.80 H new ATOM 0 HA TYR A 12 -18.140 -1.825 -1.591 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.258 -1.489 0.742 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.921 -0.941 0.678 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -18.007 -4.026 -0.385 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.490 -2.401 1.566 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.865 -6.331 -0.002 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.335 -4.701 1.980 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.987 -6.891 1.696 1.00 2.02 H new ATOM 196 N LYS A 13 -21.379 -1.281 -2.078 1.00 1.95 N ATOM 197 CA LYS A 13 -22.480 -1.679 -2.965 1.00 2.03 C ATOM 198 C LYS A 13 -22.075 -1.599 -4.438 1.00 2.02 C ATOM 199 O LYS A 13 -22.137 -2.627 -5.120 1.00 2.05 O ATOM 200 CB LYS A 13 -23.739 -0.863 -2.628 1.00 2.10 C ATOM 201 CG LYS A 13 -24.969 -1.357 -3.407 1.00 2.18 C ATOM 202 CD LYS A 13 -26.250 -0.572 -3.076 1.00 2.25 C ATOM 203 CE LYS A 13 -26.713 -0.792 -1.630 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.998 -0.095 -1.355 1.00 2.34 N ATOM 0 H LYS A 13 -21.582 -0.471 -1.492 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.720 -2.728 -2.793 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.937 -0.927 -1.558 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.562 0.188 -2.857 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.769 -1.280 -4.476 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.130 -2.412 -3.188 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.074 0.491 -3.241 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.044 -0.873 -3.759 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.830 -1.859 -1.443 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.948 -0.430 -0.943 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.281 -0.265 -0.369 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.879 0.927 -1.510 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.734 -0.458 -1.994 1.00 2.34 H new ATOM 218 N TYR A 14 -21.604 -0.448 -4.935 1.00 2.00 N ATOM 219 CA TYR A 14 -21.170 -0.370 -6.337 1.00 2.00 C ATOM 220 C TYR A 14 -20.079 -1.374 -6.753 1.00 1.95 C ATOM 221 O TYR A 14 -20.170 -1.958 -7.831 1.00 1.99 O ATOM 222 CB TYR A 14 -20.714 1.071 -6.608 1.00 1.98 C ATOM 223 CG TYR A 14 -20.509 1.389 -8.075 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.624 1.676 -8.887 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.213 1.391 -8.633 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.452 1.960 -10.254 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.038 1.667 -10.005 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.158 1.951 -10.817 1.00 2.09 C ATOM 229 OH TYR A 14 -19.986 2.183 -12.148 1.00 2.13 O ATOM 0 H TYR A 14 -21.515 0.419 -4.406 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.027 -0.652 -6.949 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.454 1.758 -6.198 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.781 1.252 -6.074 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.615 1.678 -8.458 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.356 1.181 -8.010 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.309 2.185 -10.872 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.047 1.661 -10.435 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.032 2.141 -12.367 1.00 2.13 H new ATOM 239 N MET A 15 -19.069 -1.624 -5.915 1.00 1.88 N ATOM 240 CA MET A 15 -17.969 -2.532 -6.236 1.00 1.83 C ATOM 241 C MET A 15 -18.392 -4.003 -6.125 1.00 1.86 C ATOM 242 O MET A 15 -17.934 -4.825 -6.921 1.00 1.86 O ATOM 243 CB MET A 15 -16.688 -2.171 -5.477 1.00 1.74 C ATOM 244 CG MET A 15 -16.664 -2.544 -3.995 1.00 1.72 C ATOM 245 SD MET A 15 -15.302 -1.811 -3.041 1.00 1.62 S ATOM 246 CE MET A 15 -13.858 -2.206 -4.069 1.00 1.57 C ATOM 0 H MET A 15 -18.993 -1.199 -4.991 1.00 1.88 H new ATOM 0 HA MET A 15 -17.713 -2.396 -7.287 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.847 -2.660 -5.969 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.527 -1.096 -5.564 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.609 -2.240 -3.544 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.605 -3.629 -3.910 1.00 1.72 H new ATOM 0 HE1 MET A 15 -13.000 -1.626 -3.729 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.633 -3.269 -3.987 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.073 -1.960 -5.109 1.00 1.57 H new ATOM 256 N LYS A 16 -19.338 -4.350 -5.232 1.00 1.90 N ATOM 257 CA LYS A 16 -19.976 -5.677 -5.245 1.00 1.96 C ATOM 258 C LYS A 16 -20.787 -5.893 -6.532 1.00 2.03 C ATOM 259 O LYS A 16 -20.696 -6.958 -7.139 1.00 2.05 O ATOM 260 CB LYS A 16 -20.816 -5.846 -3.968 1.00 1.99 C ATOM 261 CG LYS A 16 -21.385 -7.264 -3.828 1.00 2.05 C ATOM 262 CD LYS A 16 -21.752 -7.564 -2.369 1.00 2.07 C ATOM 263 CE LYS A 16 -22.367 -8.962 -2.255 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.412 -9.412 -0.841 1.00 2.15 N ATOM 0 H LYS A 16 -19.676 -3.731 -4.495 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.211 -6.454 -5.247 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -20.201 -5.616 -3.098 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.636 -5.127 -3.977 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.268 -7.370 -4.459 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.653 -7.991 -4.180 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.863 -7.498 -1.742 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.457 -6.818 -2.003 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.375 -8.954 -2.670 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.784 -9.668 -2.846 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.938 -10.307 -0.778 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.443 -9.555 -0.491 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.886 -8.690 -0.262 1.00 2.15 H new ATOM 278 N GLU A 17 -21.456 -4.847 -7.020 1.00 2.07 N ATOM 279 CA GLU A 17 -22.085 -4.849 -8.359 1.00 2.13 C ATOM 280 C GLU A 17 -21.061 -4.789 -9.530 1.00 2.10 C ATOM 281 O GLU A 17 -21.445 -4.810 -10.701 1.00 2.16 O ATOM 282 CB GLU A 17 -23.102 -3.690 -8.412 1.00 2.18 C ATOM 283 CG GLU A 17 -24.193 -3.864 -9.478 1.00 2.27 C ATOM 284 CD GLU A 17 -25.280 -2.780 -9.336 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.151 -1.697 -9.957 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.283 -3.008 -8.615 1.00 2.37 O ATOM 0 H GLU A 17 -21.582 -3.974 -6.507 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.595 -5.802 -8.502 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.576 -3.591 -7.435 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.567 -2.760 -8.603 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.748 -3.810 -10.472 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.644 -4.852 -9.384 1.00 2.27 H new ATOM 293 N ARG A 18 -19.753 -4.739 -9.222 1.00 2.02 N ATOM 294 CA ARG A 18 -18.670 -4.803 -10.231 1.00 1.99 C ATOM 295 C ARG A 18 -17.743 -6.019 -10.023 1.00 1.95 C ATOM 296 O ARG A 18 -16.613 -6.036 -10.517 1.00 1.90 O ATOM 297 CB ARG A 18 -17.927 -3.444 -10.319 1.00 1.94 C ATOM 298 CG ARG A 18 -18.523 -2.486 -11.366 1.00 2.01 C ATOM 299 CD ARG A 18 -19.801 -1.768 -10.919 1.00 2.06 C ATOM 300 NE ARG A 18 -20.452 -1.084 -12.051 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.390 -1.575 -12.844 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.876 -2.778 -12.710 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.860 -0.848 -13.818 1.00 2.28 N ATOM 0 H ARG A 18 -19.412 -4.653 -8.265 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.119 -4.972 -11.210 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.951 -2.962 -9.342 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.880 -3.626 -10.559 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.773 -1.738 -11.624 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.737 -3.049 -12.274 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.491 -2.488 -10.480 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.561 -1.043 -10.142 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.146 -0.130 -12.243 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.533 -3.387 -11.967 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.599 -3.110 -13.348 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.505 0.096 -13.967 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.583 -1.223 -14.431 1.00 2.28 H new ATOM 317 N LYS A 19 -18.220 -7.053 -9.309 1.00 1.97 N ATOM 318 CA LYS A 19 -17.546 -8.347 -9.052 1.00 1.95 C ATOM 319 C LYS A 19 -16.251 -8.178 -8.248 1.00 1.86 C ATOM 320 O LYS A 19 -15.371 -9.045 -8.260 1.00 1.84 O ATOM 321 CB LYS A 19 -17.363 -9.148 -10.362 1.00 1.99 C ATOM 322 CG LYS A 19 -18.683 -9.370 -11.120 1.00 2.09 C ATOM 323 CD LYS A 19 -18.457 -10.189 -12.398 1.00 2.13 C ATOM 324 CE LYS A 19 -19.780 -10.362 -13.155 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.595 -11.130 -14.415 1.00 2.27 N ATOM 0 H LYS A 19 -19.139 -7.010 -8.868 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.198 -8.945 -8.415 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.663 -8.620 -11.009 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.916 -10.115 -10.131 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.394 -9.886 -10.475 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.125 -8.407 -11.375 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.727 -9.689 -13.035 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.044 -11.165 -12.145 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.500 -10.876 -12.518 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.199 -9.382 -13.384 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.510 -11.227 -14.900 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.927 -10.627 -15.033 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.218 -12.074 -14.194 1.00 2.27 H new ATOM 339 N THR A 20 -16.165 -7.059 -7.522 1.00 1.82 N ATOM 340 CA THR A 20 -14.971 -6.697 -6.760 1.00 1.73 C ATOM 341 C THR A 20 -15.350 -6.185 -5.358 1.00 1.72 C ATOM 342 O THR A 20 -15.011 -5.055 -5.013 1.00 1.68 O ATOM 343 CB THR A 20 -14.089 -5.692 -7.545 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.932 -6.088 -8.894 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.663 -5.584 -6.995 1.00 1.61 C ATOM 0 H THR A 20 -16.923 -6.380 -7.448 1.00 1.82 H new ATOM 0 HA THR A 20 -14.367 -7.593 -6.617 1.00 1.73 H new ATOM 0 HB THR A 20 -14.613 -4.741 -7.447 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.782 -5.977 -9.368 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.098 -4.865 -7.588 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.697 -5.251 -5.958 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.178 -6.559 -7.048 1.00 1.61 H new ATOM 353 N PRO A 21 -16.106 -6.948 -4.540 1.00 1.76 N ATOM 354 CA PRO A 21 -16.527 -6.513 -3.203 1.00 1.76 C ATOM 355 C PRO A 21 -15.345 -6.368 -2.227 1.00 1.69 C ATOM 356 O PRO A 21 -14.310 -7.014 -2.384 1.00 1.66 O ATOM 357 CB PRO A 21 -17.504 -7.593 -2.726 1.00 1.84 C ATOM 358 CG PRO A 21 -17.014 -8.854 -3.434 1.00 1.85 C ATOM 359 CD PRO A 21 -16.562 -8.312 -4.786 1.00 1.82 C ATOM 0 HA PRO A 21 -16.982 -5.523 -3.240 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.480 -7.706 -1.642 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.532 -7.353 -2.998 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.197 -9.332 -2.894 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.806 -9.596 -3.537 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.761 -8.922 -5.203 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.381 -8.326 -5.506 1.00 1.82 H new ATOM 367 N ILE A 22 -15.537 -5.609 -1.142 1.00 1.68 N ATOM 368 CA ILE A 22 -14.574 -5.582 -0.010 1.00 1.64 C ATOM 369 C ILE A 22 -14.409 -6.992 0.617 1.00 1.67 C ATOM 370 O ILE A 22 -13.371 -7.326 1.182 1.00 1.64 O ATOM 371 CB ILE A 22 -14.996 -4.481 1.001 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.901 -3.103 0.316 1.00 1.61 C ATOM 373 CG2 ILE A 22 -14.141 -4.506 2.284 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.365 -1.915 1.168 1.00 1.62 C ATOM 0 H ILE A 22 -16.347 -5.002 -1.014 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.580 -5.316 -0.369 1.00 1.64 H new ATOM 0 HB ILE A 22 -16.024 -4.676 1.306 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.866 -2.934 0.019 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.495 -3.128 -0.598 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.475 -3.718 2.959 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -14.249 -5.473 2.774 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -13.094 -4.344 2.027 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.258 -0.993 0.596 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.411 -2.052 1.444 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.756 -1.855 2.070 1.00 1.62 H new ATOM 386 N GLU A 23 -15.418 -7.845 0.410 1.00 1.74 N ATOM 387 CA GLU A 23 -15.332 -9.288 0.712 1.00 1.78 C ATOM 388 C GLU A 23 -14.142 -10.037 0.047 1.00 1.75 C ATOM 389 O GLU A 23 -13.827 -11.152 0.473 1.00 1.78 O ATOM 390 CB GLU A 23 -16.660 -9.990 0.380 1.00 1.87 C ATOM 391 CG GLU A 23 -17.842 -9.445 1.190 1.00 1.91 C ATOM 392 CD GLU A 23 -19.113 -10.272 0.931 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.822 -9.996 -0.066 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.415 -11.201 1.721 1.00 2.06 O ATOM 0 H GLU A 23 -16.320 -7.560 0.028 1.00 1.74 H new ATOM 0 HA GLU A 23 -15.134 -9.338 1.783 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.870 -9.874 -0.683 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.558 -11.058 0.570 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.600 -9.466 2.253 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -18.021 -8.403 0.924 1.00 1.91 H new ATOM 401 N ARG A 24 -13.432 -9.441 -0.936 1.00 1.69 N ATOM 402 CA ARG A 24 -12.160 -9.954 -1.509 1.00 1.65 C ATOM 403 C ARG A 24 -10.927 -9.073 -1.206 1.00 1.57 C ATOM 404 O ARG A 24 -9.859 -9.281 -1.783 1.00 1.53 O ATOM 405 CB ARG A 24 -12.337 -10.298 -3.009 1.00 1.67 C ATOM 406 CG ARG A 24 -12.131 -9.135 -4.003 1.00 1.62 C ATOM 407 CD ARG A 24 -12.612 -9.485 -5.420 1.00 1.67 C ATOM 408 NE ARG A 24 -11.821 -10.565 -6.039 1.00 1.67 N ATOM 409 CZ ARG A 24 -12.037 -11.132 -7.217 1.00 1.72 C ATOM 410 NH1 ARG A 24 -13.022 -10.795 -8.003 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.240 -12.071 -7.639 1.00 1.72 N ATOM 0 H ARG A 24 -13.732 -8.567 -1.367 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.929 -10.884 -0.990 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.637 -11.094 -3.263 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.341 -10.698 -3.153 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.668 -8.256 -3.646 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -11.074 -8.871 -4.036 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.659 -9.784 -5.380 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.558 -8.595 -6.048 1.00 1.67 H new ATOM 0 HE ARG A 24 -11.024 -10.912 -5.504 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.672 -10.062 -7.720 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.142 -11.265 -8.900 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.452 -12.368 -7.063 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.403 -12.510 -8.545 1.00 1.72 H new ATOM 425 N ILE A 25 -11.061 -8.117 -0.282 1.00 1.55 N ATOM 426 CA ILE A 25 -10.047 -7.129 0.132 1.00 1.48 C ATOM 427 C ILE A 25 -9.928 -7.166 1.676 1.00 1.49 C ATOM 428 O ILE A 25 -10.471 -6.302 2.374 1.00 1.50 O ATOM 429 CB ILE A 25 -10.382 -5.714 -0.417 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.803 -5.711 -1.908 1.00 1.46 C ATOM 431 CG2 ILE A 25 -9.141 -4.820 -0.226 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.229 -4.334 -2.433 1.00 1.45 C ATOM 0 H ILE A 25 -11.934 -8.001 0.232 1.00 1.55 H new ATOM 0 HA ILE A 25 -9.077 -7.384 -0.294 1.00 1.48 H new ATOM 0 HB ILE A 25 -11.240 -5.338 0.139 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.972 -6.077 -2.510 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.627 -6.411 -2.044 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.351 -3.820 -0.604 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.894 -4.762 0.834 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.299 -5.245 -0.772 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.509 -4.416 -3.483 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -12.081 -3.973 -1.858 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.400 -3.634 -2.332 1.00 1.45 H new ATOM 444 N PRO A 26 -9.580 -8.350 2.223 1.00 1.53 N ATOM 445 CA PRO A 26 -9.607 -8.601 3.674 1.00 1.57 C ATOM 446 C PRO A 26 -8.711 -7.779 4.584 1.00 1.52 C ATOM 447 O PRO A 26 -9.105 -7.512 5.719 1.00 1.50 O ATOM 448 CB PRO A 26 -9.272 -10.089 3.803 1.00 1.62 C ATOM 449 CG PRO A 26 -8.635 -10.472 2.516 1.00 1.59 C ATOM 450 CD PRO A 26 -9.188 -9.549 1.474 1.00 1.55 C ATOM 0 HA PRO A 26 -10.589 -8.292 4.032 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.598 -10.267 4.641 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -10.171 -10.678 3.985 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -7.551 -10.381 2.578 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.854 -11.511 2.269 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -8.443 -9.317 0.713 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -10.041 -9.994 0.961 1.00 1.55 H new ATOM 458 N TYR A 27 -7.541 -7.357 4.145 1.00 1.52 N ATOM 459 CA TYR A 27 -6.671 -6.639 5.068 1.00 1.49 C ATOM 460 C TYR A 27 -5.959 -5.426 4.483 1.00 1.38 C ATOM 461 O TYR A 27 -6.143 -5.030 3.331 1.00 1.34 O ATOM 462 CB TYR A 27 -5.612 -7.598 5.603 1.00 1.61 C ATOM 463 CG TYR A 27 -6.140 -8.661 6.538 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.350 -8.385 7.885 1.00 1.91 C ATOM 465 CD2 TYR A 27 -6.433 -9.937 6.075 1.00 1.76 C ATOM 466 CE1 TYR A 27 -6.836 -9.351 8.745 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.921 -10.909 6.926 1.00 2.09 C ATOM 468 CZ TYR A 27 -7.108 -10.620 8.255 1.00 2.29 C ATOM 469 OH TYR A 27 -7.595 -11.578 9.117 1.00 2.75 O ATOM 0 H TYR A 27 -7.179 -7.488 3.201 1.00 1.52 H new ATOM 0 HA TYR A 27 -7.331 -6.259 5.848 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -5.123 -8.085 4.760 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.848 -7.021 6.125 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.129 -7.399 8.265 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -6.277 -10.173 5.033 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -7.002 -9.121 9.787 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -7.155 -11.893 6.547 1.00 2.09 H new ATOM 0 HH TYR A 27 -7.738 -12.415 8.628 1.00 2.75 H new ATOM 479 N LEU A 28 -5.146 -4.864 5.368 1.00 1.39 N ATOM 480 CA LEU A 28 -4.285 -3.723 5.127 1.00 1.35 C ATOM 481 C LEU A 28 -2.871 -4.224 5.371 1.00 1.35 C ATOM 482 O LEU A 28 -2.715 -5.294 5.956 1.00 1.38 O ATOM 483 CB LEU A 28 -4.632 -2.567 6.075 1.00 1.42 C ATOM 484 CG LEU A 28 -3.837 -1.278 5.892 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.342 -0.513 4.681 1.00 1.58 C ATOM 486 CD2 LEU A 28 -3.940 -0.419 7.143 1.00 1.77 C ATOM 0 H LEU A 28 -5.069 -5.214 6.323 1.00 1.39 H new ATOM 0 HA LEU A 28 -4.403 -3.334 4.116 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -5.691 -2.335 5.958 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -4.493 -2.912 7.100 1.00 1.42 H new ATOM 0 HG LEU A 28 -2.790 -1.532 5.727 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.765 0.404 4.564 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.230 -1.129 3.789 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.394 -0.264 4.820 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.369 0.499 7.002 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -4.985 -0.171 7.329 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.540 -0.968 7.995 1.00 1.77 H new ATOM 583 N ASN A 34 -9.508 -0.887 7.187 1.00 1.56 N ATOM 584 CA ASN A 34 -9.650 0.499 7.682 1.00 1.58 C ATOM 585 C ASN A 34 -9.378 1.540 6.574 1.00 1.57 C ATOM 586 O ASN A 34 -8.290 2.115 6.492 1.00 1.91 O ATOM 587 CB ASN A 34 -8.715 0.720 8.872 1.00 1.60 C ATOM 588 CG ASN A 34 -9.167 -0.042 10.110 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.744 -1.126 10.014 1.00 2.14 O ATOM 590 ND2 ASN A 34 -8.913 0.526 11.280 1.00 2.10 N ATOM 0 HA ASN A 34 -10.683 0.638 8.002 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -7.707 0.406 8.602 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.667 1.785 9.101 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -9.198 0.064 12.144 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -8.433 1.425 11.317 1.00 2.10 H new ATOM 597 N LEU A 35 -10.382 1.773 5.736 1.00 1.38 N ATOM 598 CA LEU A 35 -10.261 2.692 4.597 1.00 1.34 C ATOM 599 C LEU A 35 -10.040 4.159 4.995 1.00 1.32 C ATOM 600 O LEU A 35 -9.044 4.762 4.588 1.00 1.28 O ATOM 601 CB LEU A 35 -11.501 2.578 3.701 1.00 1.40 C ATOM 602 CG LEU A 35 -11.351 3.135 2.276 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.547 4.642 2.259 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.996 2.776 1.688 1.00 1.52 C ATOM 0 H LEU A 35 -11.300 1.336 5.821 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.365 2.386 4.056 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.781 1.527 3.632 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.327 3.096 4.188 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.125 2.677 1.660 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.436 5.012 1.240 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.545 4.883 2.626 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.801 5.113 2.899 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.918 3.183 0.680 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.206 3.196 2.311 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.891 1.692 1.651 1.00 1.52 H new ATOM 616 N TRP A 36 -10.970 4.731 5.760 1.00 1.37 N ATOM 617 CA TRP A 36 -10.883 6.139 6.176 1.00 1.37 C ATOM 618 C TRP A 36 -9.534 6.467 6.852 1.00 1.32 C ATOM 619 O TRP A 36 -9.082 7.610 6.810 1.00 1.31 O ATOM 620 CB TRP A 36 -12.049 6.493 7.112 1.00 1.45 C ATOM 621 CG TRP A 36 -12.295 5.472 8.185 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.912 4.262 8.039 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.943 5.576 9.570 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.939 3.599 9.239 1.00 1.61 N ATOM 625 CE2 TRP A 36 -12.355 4.386 10.196 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.312 6.557 10.338 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -12.156 4.152 11.554 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -11.117 6.325 11.687 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.537 5.130 12.282 1.00 1.66 C ATOM 0 H TRP A 36 -11.796 4.243 6.107 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.949 6.747 5.274 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.848 7.457 7.580 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.956 6.610 6.519 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -13.319 3.883 7.113 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -13.331 2.670 9.394 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -10.982 7.481 9.886 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -12.479 3.231 12.016 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -10.633 7.078 12.291 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -11.369 4.977 13.338 1.00 1.66 H new ATOM 640 N THR A 37 -8.903 5.457 7.467 1.00 1.32 N ATOM 641 CA THR A 37 -7.610 5.623 8.157 1.00 1.29 C ATOM 642 C THR A 37 -6.435 5.744 7.182 1.00 1.23 C ATOM 643 O THR A 37 -5.664 6.693 7.299 1.00 1.21 O ATOM 644 CB THR A 37 -7.343 4.476 9.145 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.359 4.433 10.122 1.00 1.41 O ATOM 646 CG2 THR A 37 -6.030 4.633 9.917 1.00 1.35 C ATOM 0 H THR A 37 -9.270 4.506 7.502 1.00 1.32 H new ATOM 0 HA THR A 37 -7.687 6.559 8.711 1.00 1.29 H new ATOM 0 HB THR A 37 -7.303 3.574 8.534 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.182 3.699 10.746 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.904 3.790 10.596 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.196 4.661 9.215 1.00 1.35 H new ATOM 0 HG23 THR A 37 -6.053 5.560 10.490 1.00 1.35 H new ATOM 654 N MET A 38 -6.293 4.853 6.189 1.00 1.20 N ATOM 655 CA MET A 38 -5.242 5.025 5.162 1.00 1.15 C ATOM 656 C MET A 38 -5.447 6.305 4.329 1.00 1.13 C ATOM 657 O MET A 38 -4.475 6.929 3.908 1.00 1.11 O ATOM 658 CB MET A 38 -5.067 3.790 4.262 1.00 1.14 C ATOM 659 CG MET A 38 -6.313 3.378 3.473 1.00 1.17 C ATOM 660 SD MET A 38 -5.965 2.447 1.955 1.00 1.17 S ATOM 661 CE MET A 38 -6.922 0.933 2.228 1.00 1.25 C ATOM 0 H MET A 38 -6.875 4.024 6.072 1.00 1.20 H new ATOM 0 HA MET A 38 -4.309 5.138 5.714 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.258 3.985 3.558 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.754 2.950 4.882 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.952 2.774 4.117 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.877 4.274 3.214 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.251 0.532 1.269 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.300 0.196 2.735 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.792 1.159 2.844 1.00 1.25 H new ATOM 671 N PHE A 39 -6.705 6.728 4.155 1.00 1.17 N ATOM 672 CA PHE A 39 -7.027 8.011 3.538 1.00 1.19 C ATOM 673 C PHE A 39 -6.522 9.195 4.363 1.00 1.20 C ATOM 674 O PHE A 39 -5.680 9.944 3.873 1.00 1.20 O ATOM 675 CB PHE A 39 -8.528 8.127 3.268 1.00 1.25 C ATOM 676 CG PHE A 39 -8.903 9.468 2.661 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.441 9.808 1.374 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.668 10.394 3.397 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.756 11.059 0.816 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.969 11.652 2.844 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.510 11.985 1.557 1.00 1.44 C ATOM 0 H PHE A 39 -7.523 6.189 4.439 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.504 8.046 2.583 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.837 7.327 2.595 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.074 7.987 4.201 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.843 9.105 0.814 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.023 10.138 4.384 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.419 11.308 -0.180 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.554 12.363 3.409 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.737 12.954 1.137 1.00 1.44 H new ATOM 691 N GLN A 40 -6.963 9.367 5.619 1.00 1.24 N ATOM 692 CA GLN A 40 -6.480 10.506 6.421 1.00 1.27 C ATOM 693 C GLN A 40 -4.960 10.453 6.680 1.00 1.25 C ATOM 694 O GLN A 40 -4.321 11.503 6.767 1.00 1.28 O ATOM 695 CB GLN A 40 -7.304 10.649 7.713 1.00 1.33 C ATOM 696 CG GLN A 40 -6.986 9.574 8.760 1.00 1.33 C ATOM 697 CD GLN A 40 -8.064 9.468 9.831 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.944 9.970 10.939 1.00 1.44 O ATOM 699 NE2 GLN A 40 -9.153 8.793 9.534 1.00 1.40 N ATOM 0 H GLN A 40 -7.630 8.756 6.090 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.635 11.411 5.834 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.120 11.633 8.145 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.365 10.603 7.466 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.875 8.610 8.264 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -6.030 9.802 9.232 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.257 8.373 8.610 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.894 8.690 10.227 1.00 1.40 H new ATOM 708 N ALA A 41 -4.358 9.257 6.714 1.00 1.21 N ATOM 709 CA ALA A 41 -2.908 9.088 6.725 1.00 1.20 C ATOM 710 C ALA A 41 -2.261 9.628 5.441 1.00 1.18 C ATOM 711 O ALA A 41 -1.388 10.491 5.516 1.00 1.21 O ATOM 712 CB ALA A 41 -2.575 7.609 6.947 1.00 1.18 C ATOM 0 H ALA A 41 -4.872 8.376 6.735 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.492 9.673 7.545 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.493 7.477 6.956 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.988 7.282 7.901 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -3.006 7.014 6.142 1.00 1.18 H new ATOM 718 N ALA A 42 -2.725 9.212 4.257 1.00 1.14 N ATOM 719 CA ALA A 42 -2.250 9.750 2.982 1.00 1.14 C ATOM 720 C ALA A 42 -2.425 11.273 2.883 1.00 1.20 C ATOM 721 O ALA A 42 -1.530 11.954 2.399 1.00 1.23 O ATOM 722 CB ALA A 42 -2.958 9.027 1.829 1.00 1.11 C ATOM 0 H ALA A 42 -3.441 8.492 4.158 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.177 9.568 2.916 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.606 9.426 0.878 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.738 7.961 1.879 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.034 9.180 1.910 1.00 1.11 H new ATOM 728 N GLN A 43 -3.530 11.819 3.402 1.00 1.23 N ATOM 729 CA GLN A 43 -3.781 13.266 3.380 1.00 1.31 C ATOM 730 C GLN A 43 -2.832 14.042 4.318 1.00 1.35 C ATOM 731 O GLN A 43 -2.538 15.211 4.059 1.00 1.42 O ATOM 732 CB GLN A 43 -5.255 13.568 3.701 1.00 1.35 C ATOM 733 CG GLN A 43 -6.244 13.053 2.634 1.00 1.35 C ATOM 734 CD GLN A 43 -5.966 13.574 1.222 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.771 14.759 0.986 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.916 12.712 0.228 1.00 1.35 N ATOM 0 H GLN A 43 -4.271 11.276 3.846 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.571 13.614 2.369 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.507 13.120 4.662 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.380 14.645 3.809 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.213 11.964 2.621 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.255 13.339 2.923 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.076 11.720 0.405 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.717 13.036 -0.719 1.00 1.35 H new ATOM 745 N LYS A 44 -2.293 13.375 5.350 1.00 1.33 N ATOM 746 CA LYS A 44 -1.237 13.952 6.197 1.00 1.39 C ATOM 747 C LYS A 44 0.125 13.854 5.511 1.00 1.39 C ATOM 748 O LYS A 44 0.846 14.849 5.421 1.00 1.45 O ATOM 749 CB LYS A 44 -1.255 13.238 7.560 1.00 1.39 C ATOM 750 CG LYS A 44 -0.364 13.934 8.598 1.00 1.47 C ATOM 751 CD LYS A 44 -0.281 13.163 9.921 1.00 1.49 C ATOM 752 CE LYS A 44 -1.663 12.903 10.541 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.535 12.306 11.894 1.00 1.53 N ATOM 0 H LYS A 44 -2.572 12.432 5.619 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.424 15.014 6.357 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.279 13.198 7.932 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.922 12.208 7.432 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.639 14.053 8.188 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.751 14.935 8.789 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.222 12.211 9.752 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.330 13.725 10.627 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.219 13.838 10.603 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.235 12.234 9.897 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.482 12.140 12.291 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -1.024 11.403 11.828 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -1.009 12.957 12.512 1.00 1.53 H new ATOM 767 N LEU A 45 0.425 12.678 4.956 1.00 1.32 N ATOM 768 CA LEU A 45 1.628 12.465 4.139 1.00 1.32 C ATOM 769 C LEU A 45 1.571 13.123 2.720 1.00 1.34 C ATOM 770 O LEU A 45 2.434 12.838 1.887 1.00 1.34 O ATOM 771 CB LEU A 45 1.987 10.948 4.139 1.00 1.27 C ATOM 772 CG LEU A 45 2.562 10.296 5.434 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.658 11.150 6.076 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.525 9.988 6.512 1.00 1.29 C ATOM 0 H LEU A 45 -0.156 11.846 5.058 1.00 1.32 H new ATOM 0 HA LEU A 45 2.454 13.004 4.603 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.085 10.399 3.869 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.711 10.783 3.341 1.00 1.27 H new ATOM 0 HG LEU A 45 2.967 9.350 5.074 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.027 10.654 6.974 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.479 11.280 5.370 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.250 12.125 6.342 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.018 9.537 7.373 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.033 10.911 6.818 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.783 9.295 6.115 1.00 1.29 H new ATOM 786 N GLY A 46 0.603 14.021 2.449 1.00 1.36 N ATOM 787 CA GLY A 46 0.651 14.882 1.235 1.00 1.42 C ATOM 788 C GLY A 46 -0.270 14.506 0.057 1.00 1.40 C ATOM 789 O GLY A 46 0.006 14.844 -1.098 1.00 1.44 O ATOM 0 H GLY A 46 -0.214 14.173 3.041 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.412 15.902 1.537 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.678 14.890 0.869 1.00 1.42 H new ATOM 793 N GLY A 47 -1.357 13.806 0.375 1.00 1.34 N ATOM 794 CA GLY A 47 -2.232 13.176 -0.611 1.00 1.32 C ATOM 795 C GLY A 47 -1.534 12.128 -1.482 1.00 1.28 C ATOM 796 O GLY A 47 -0.309 11.973 -1.468 1.00 1.27 O ATOM 0 H GLY A 47 -1.659 13.659 1.338 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.067 12.705 -0.092 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.652 13.948 -1.256 1.00 1.32 H new ATOM 800 N TYR A 48 -2.329 11.436 -2.302 1.00 1.27 N ATOM 801 CA TYR A 48 -1.795 10.535 -3.335 1.00 1.26 C ATOM 802 C TYR A 48 -0.759 11.199 -4.268 1.00 1.32 C ATOM 803 O TYR A 48 0.067 10.511 -4.868 1.00 1.31 O ATOM 804 CB TYR A 48 -2.966 9.953 -4.134 1.00 1.28 C ATOM 805 CG TYR A 48 -2.610 8.738 -4.973 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.533 7.469 -4.369 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.367 8.873 -6.355 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.251 6.328 -5.144 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.065 7.738 -7.130 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.018 6.462 -6.529 1.00 1.27 C ATOM 811 OH TYR A 48 -1.753 5.370 -7.293 1.00 1.29 O ATOM 0 H TYR A 48 -3.348 11.480 -2.273 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.248 9.741 -2.827 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.763 9.681 -3.442 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.364 10.728 -4.789 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.691 7.370 -3.305 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.413 9.847 -6.819 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.213 5.354 -4.680 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -1.869 7.844 -8.187 1.00 1.33 H new ATOM 0 HH TYR A 48 -1.619 5.646 -8.224 1.00 1.29 H new ATOM 821 N GLU A 49 -0.758 12.532 -4.378 1.00 1.39 N ATOM 822 CA GLU A 49 0.144 13.240 -5.299 1.00 1.47 C ATOM 823 C GLU A 49 1.578 13.336 -4.766 1.00 1.46 C ATOM 824 O GLU A 49 2.515 12.973 -5.483 1.00 1.48 O ATOM 825 CB GLU A 49 -0.417 14.634 -5.609 1.00 1.57 C ATOM 826 CG GLU A 49 -1.600 14.525 -6.581 1.00 1.61 C ATOM 827 CD GLU A 49 -2.327 15.869 -6.733 1.00 1.71 C ATOM 828 OE1 GLU A 49 -1.785 16.803 -7.372 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.468 15.978 -6.224 1.00 1.72 O ATOM 0 H GLU A 49 -1.372 13.145 -3.841 1.00 1.39 H new ATOM 0 HA GLU A 49 0.196 12.657 -6.218 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -0.738 15.118 -4.687 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.363 15.260 -6.043 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.243 14.191 -7.555 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.299 13.770 -6.222 1.00 1.61 H new ATOM 836 N THR A 50 1.776 13.729 -3.500 1.00 1.44 N ATOM 837 CA THR A 50 3.096 13.634 -2.852 1.00 1.45 C ATOM 838 C THR A 50 3.520 12.173 -2.725 1.00 1.37 C ATOM 839 O THR A 50 4.686 11.847 -2.949 1.00 1.40 O ATOM 840 CB THR A 50 3.127 14.305 -1.471 1.00 1.46 C ATOM 841 OG1 THR A 50 2.727 15.656 -1.579 1.00 1.54 O ATOM 842 CG2 THR A 50 4.525 14.325 -0.846 1.00 1.50 C ATOM 0 H THR A 50 1.043 14.115 -2.904 1.00 1.44 H new ATOM 0 HA THR A 50 3.799 14.170 -3.490 1.00 1.45 H new ATOM 0 HB THR A 50 2.455 13.718 -0.845 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.755 15.719 -1.468 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.481 14.812 0.128 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.884 13.303 -0.725 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.206 14.874 -1.496 1.00 1.50 H new ATOM 850 N ILE A 51 2.569 11.273 -2.452 1.00 1.30 N ATOM 851 CA ILE A 51 2.827 9.827 -2.442 1.00 1.24 C ATOM 852 C ILE A 51 3.415 9.332 -3.774 1.00 1.27 C ATOM 853 O ILE A 51 4.399 8.597 -3.767 1.00 1.27 O ATOM 854 CB ILE A 51 1.531 9.089 -2.009 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.587 8.666 -0.529 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.179 7.867 -2.865 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.473 9.854 0.438 1.00 1.17 C ATOM 0 H ILE A 51 1.605 11.523 -2.233 1.00 1.30 H new ATOM 0 HA ILE A 51 3.601 9.596 -1.710 1.00 1.24 H new ATOM 0 HB ILE A 51 0.741 9.824 -2.161 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.780 7.961 -0.327 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.523 8.141 -0.342 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.261 7.414 -2.492 1.00 1.15 H new ATOM 0 HG22 ILE A 51 1.036 8.177 -3.900 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.990 7.140 -2.813 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.519 9.493 1.465 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.295 10.548 0.260 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.524 10.366 0.275 1.00 1.17 H new ATOM 869 N THR A 52 2.859 9.757 -4.907 1.00 1.30 N ATOM 870 CA THR A 52 3.360 9.345 -6.232 1.00 1.35 C ATOM 871 C THR A 52 4.680 10.027 -6.582 1.00 1.42 C ATOM 872 O THR A 52 5.568 9.384 -7.145 1.00 1.45 O ATOM 873 CB THR A 52 2.298 9.615 -7.308 1.00 1.39 C ATOM 874 OG1 THR A 52 1.158 8.842 -7.000 1.00 1.34 O ATOM 875 CG2 THR A 52 2.726 9.187 -8.713 1.00 1.45 C ATOM 0 H THR A 52 2.059 10.388 -4.942 1.00 1.30 H new ATOM 0 HA THR A 52 3.558 8.274 -6.194 1.00 1.35 H new ATOM 0 HB THR A 52 2.123 10.691 -7.308 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.649 9.280 -6.286 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.926 9.408 -9.420 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.626 9.731 -9.001 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.931 8.117 -8.721 1.00 1.45 H new ATOM 883 N ALA A 53 4.852 11.290 -6.186 1.00 1.47 N ATOM 884 CA ALA A 53 6.111 12.008 -6.379 1.00 1.55 C ATOM 885 C ALA A 53 7.273 11.487 -5.503 1.00 1.54 C ATOM 886 O ALA A 53 8.433 11.710 -5.867 1.00 1.61 O ATOM 887 CB ALA A 53 5.849 13.497 -6.107 1.00 1.61 C ATOM 0 H ALA A 53 4.127 11.840 -5.725 1.00 1.47 H new ATOM 0 HA ALA A 53 6.439 11.843 -7.405 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.772 14.060 -6.243 1.00 1.61 H new ATOM 0 HB2 ALA A 53 5.093 13.866 -6.800 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.495 13.623 -5.084 1.00 1.61 H new ATOM 893 N ARG A 54 6.988 10.806 -4.375 1.00 1.47 N ATOM 894 CA ARG A 54 8.036 10.483 -3.372 1.00 1.49 C ATOM 895 C ARG A 54 8.076 9.031 -2.869 1.00 1.44 C ATOM 896 O ARG A 54 9.006 8.686 -2.141 1.00 1.48 O ATOM 897 CB ARG A 54 7.874 11.425 -2.159 1.00 1.51 C ATOM 898 CG ARG A 54 8.006 12.933 -2.443 1.00 1.59 C ATOM 899 CD ARG A 54 9.400 13.362 -2.930 1.00 1.68 C ATOM 900 NE ARG A 54 10.467 13.045 -1.956 1.00 1.72 N ATOM 901 CZ ARG A 54 10.795 13.726 -0.871 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.182 14.822 -0.520 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.764 13.313 -0.107 1.00 1.82 N ATOM 0 H ARG A 54 6.056 10.471 -4.133 1.00 1.47 H new ATOM 0 HA ARG A 54 8.980 10.624 -3.899 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.895 11.245 -1.715 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.619 11.151 -1.412 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.268 13.216 -3.194 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.765 13.485 -1.535 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.618 12.867 -3.876 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.398 14.434 -3.125 1.00 1.68 H new ATOM 0 HE ARG A 54 11.013 12.204 -2.143 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.418 15.184 -1.091 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.466 15.317 0.325 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.273 12.462 -0.344 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.014 13.841 0.729 1.00 1.82 H new ATOM 917 N ARG A 55 7.107 8.179 -3.237 1.00 1.37 N ATOM 918 CA ARG A 55 6.881 6.831 -2.654 1.00 1.32 C ATOM 919 C ARG A 55 6.804 6.927 -1.127 1.00 1.31 C ATOM 920 O ARG A 55 7.536 6.287 -0.372 1.00 1.35 O ATOM 921 CB ARG A 55 7.889 5.796 -3.214 1.00 1.37 C ATOM 922 CG ARG A 55 8.100 5.875 -4.743 1.00 1.40 C ATOM 923 CD ARG A 55 6.817 5.730 -5.583 1.00 1.35 C ATOM 924 NE ARG A 55 6.772 6.710 -6.690 1.00 1.40 N ATOM 925 CZ ARG A 55 7.346 6.630 -7.874 1.00 1.46 C ATOM 926 NH1 ARG A 55 8.062 5.606 -8.247 1.00 1.49 N ATOM 927 NH2 ARG A 55 7.203 7.614 -8.713 1.00 1.51 N ATOM 0 H ARG A 55 6.435 8.408 -3.969 1.00 1.37 H new ATOM 0 HA ARG A 55 5.912 6.442 -2.967 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.850 5.938 -2.719 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.543 4.795 -2.958 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.567 6.830 -4.982 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.801 5.095 -5.039 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.761 4.720 -5.989 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.946 5.865 -4.942 1.00 1.35 H new ATOM 0 HE ARG A 55 6.228 7.555 -6.515 1.00 1.40 H new ATOM 0 HH11 ARG A 55 8.198 4.820 -7.611 1.00 1.49 H new ATOM 0 HH12 ARG A 55 8.486 5.591 -9.175 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.653 8.432 -8.451 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.641 7.567 -9.633 1.00 1.51 H new ATOM 941 N GLN A 56 5.872 7.788 -0.711 1.00 1.28 N ATOM 942 CA GLN A 56 5.724 8.163 0.701 1.00 1.29 C ATOM 943 C GLN A 56 4.887 7.145 1.507 1.00 1.24 C ATOM 944 O GLN A 56 4.710 7.333 2.710 1.00 1.25 O ATOM 945 CB GLN A 56 5.157 9.593 0.812 1.00 1.30 C ATOM 946 CG GLN A 56 5.758 10.418 1.965 1.00 1.37 C ATOM 947 CD GLN A 56 7.050 11.136 1.567 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.034 12.145 0.878 1.00 1.49 O ATOM 949 NE2 GLN A 56 8.216 10.680 1.973 1.00 1.51 N ATOM 0 H GLN A 56 5.204 8.242 -1.334 1.00 1.28 H new ATOM 0 HA GLN A 56 6.716 8.147 1.152 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.335 10.117 -0.127 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.077 9.535 0.945 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.027 11.154 2.300 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.958 9.760 2.811 1.00 1.37 H new ATOM 0 HE21 GLN A 56 8.262 9.840 2.549 1.00 1.51 H new ATOM 0 HE22 GLN A 56 9.073 11.167 1.711 1.00 1.51 H new ATOM 958 N TRP A 57 4.406 6.047 0.898 1.00 1.19 N ATOM 959 CA TRP A 57 3.701 4.962 1.603 1.00 1.17 C ATOM 960 C TRP A 57 4.493 4.385 2.778 1.00 1.24 C ATOM 961 O TRP A 57 3.895 4.032 3.790 1.00 1.24 O ATOM 962 CB TRP A 57 3.289 3.836 0.649 1.00 1.15 C ATOM 963 CG TRP A 57 2.184 4.188 -0.283 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.322 4.575 -1.568 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.753 4.190 -0.003 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.074 4.845 -2.091 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.070 4.641 -1.171 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.035 3.876 1.123 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.322 4.802 -1.209 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.432 4.016 1.095 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.070 4.483 -0.065 1.00 1.06 C ATOM 0 H TRP A 57 4.496 5.886 -0.105 1.00 1.19 H new ATOM 0 HA TRP A 57 2.804 5.425 2.014 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.159 3.537 0.064 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.988 2.970 1.238 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.258 4.660 -2.101 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.914 5.159 -3.048 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.444 3.521 2.023 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.810 5.165 -2.102 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.017 3.764 1.967 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.144 4.598 -0.077 1.00 1.06 H new ATOM 982 N LYS A 58 5.814 4.379 2.733 1.00 1.32 N ATOM 983 CA LYS A 58 6.564 3.892 3.892 1.00 1.42 C ATOM 984 C LYS A 58 6.321 4.815 5.102 1.00 1.43 C ATOM 985 O LYS A 58 6.419 4.391 6.254 1.00 1.51 O ATOM 986 CB LYS A 58 8.059 3.761 3.580 1.00 1.54 C ATOM 987 CG LYS A 58 8.385 2.552 2.709 1.00 1.98 C ATOM 988 CD LYS A 58 7.480 1.373 3.028 1.00 2.07 C ATOM 989 CE LYS A 58 7.844 0.149 2.216 1.00 2.58 C ATOM 990 NZ LYS A 58 6.806 -0.911 2.321 1.00 2.89 N ATOM 0 H LYS A 58 6.378 4.691 1.942 1.00 1.32 H new ATOM 0 HA LYS A 58 6.204 2.894 4.140 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.400 4.666 3.077 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.614 3.688 4.515 1.00 1.54 H new ATOM 0 HG2 LYS A 58 8.277 2.820 1.658 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.425 2.264 2.860 1.00 1.98 H new ATOM 0 HD2 LYS A 58 7.550 1.138 4.090 1.00 2.07 H new ATOM 0 HD3 LYS A 58 6.444 1.646 2.829 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.972 0.431 1.171 1.00 2.58 H new ATOM 0 HE3 LYS A 58 8.801 -0.244 2.559 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.091 -1.733 1.751 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 6.702 -1.198 3.315 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 5.898 -0.544 1.970 1.00 2.89 H new ATOM 1004 N HIS A 59 6.025 6.087 4.814 1.00 1.39 N ATOM 1005 CA HIS A 59 5.721 7.093 5.841 1.00 1.40 C ATOM 1006 C HIS A 59 4.269 6.932 6.345 1.00 1.32 C ATOM 1007 O HIS A 59 3.973 7.208 7.505 1.00 1.35 O ATOM 1008 CB HIS A 59 6.018 8.492 5.300 1.00 1.43 C ATOM 1009 CG HIS A 59 7.428 8.612 4.791 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.391 9.379 5.408 1.00 1.81 N ATOM 1011 CD2 HIS A 59 8.042 8.020 3.735 1.00 1.59 C ATOM 1012 CE1 HIS A 59 9.535 9.253 4.754 1.00 1.93 C ATOM 1013 NE2 HIS A 59 9.348 8.432 3.735 1.00 1.79 N ATOM 0 H HIS A 59 5.989 6.450 3.861 1.00 1.39 H new ATOM 0 HA HIS A 59 6.364 6.942 6.708 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.321 8.725 4.495 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.853 9.228 6.087 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.584 7.347 3.025 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.465 9.739 5.010 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.059 8.152 3.060 1.00 1.79 H new ATOM 1022 N ILE A 60 3.365 6.539 5.438 1.00 1.23 N ATOM 1023 CA ILE A 60 1.974 6.211 5.784 1.00 1.20 C ATOM 1024 C ILE A 60 2.021 5.005 6.719 1.00 1.27 C ATOM 1025 O ILE A 60 1.396 5.059 7.766 1.00 1.33 O ATOM 1026 CB ILE A 60 1.083 5.980 4.543 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.851 7.343 3.853 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.255 5.320 4.933 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.158 7.248 2.492 1.00 1.14 C ATOM 0 H ILE A 60 3.576 6.439 4.445 1.00 1.23 H new ATOM 0 HA ILE A 60 1.502 7.056 6.286 1.00 1.20 H new ATOM 0 HB ILE A 60 1.581 5.298 3.854 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.251 7.973 4.510 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.812 7.841 3.725 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.861 5.170 4.039 1.00 1.18 H new ATOM 0 HG22 ILE A 60 -0.062 4.357 5.406 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.790 5.966 5.630 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.033 8.248 2.077 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.766 6.647 1.815 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.819 6.781 2.613 1.00 1.14 H new ATOM 1238 N THR A 77 -0.464 -2.213 -0.017 1.00 1.35 N ATOM 1239 CA THR A 77 -1.603 -1.408 0.431 1.00 1.39 C ATOM 1240 C THR A 77 -2.010 -0.381 -0.626 1.00 1.34 C ATOM 1241 O THR A 77 -3.197 -0.109 -0.810 1.00 1.38 O ATOM 1242 CB THR A 77 -1.279 -0.674 1.751 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.240 -1.607 2.832 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.305 0.409 2.057 1.00 1.49 C ATOM 0 HA THR A 77 -2.433 -2.095 0.595 1.00 1.39 H new ATOM 0 HB THR A 77 -0.305 -0.199 1.634 1.00 1.41 H new ATOM 0 HG1 THR A 77 -1.032 -1.134 3.665 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.044 0.903 2.993 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.313 1.141 1.250 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.293 -0.041 2.148 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.016 0.181 -1.318 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.261 1.176 -2.363 1.00 1.25 C ATOM 1254 C ARG A 78 -2.137 0.596 -3.475 1.00 1.30 C ATOM 1255 O ARG A 78 -2.912 1.312 -4.109 1.00 1.29 O ATOM 1256 CB ARG A 78 0.076 1.701 -2.930 1.00 1.25 C ATOM 1257 CG ARG A 78 0.602 0.954 -4.152 1.00 1.33 C ATOM 1258 CD ARG A 78 2.069 1.275 -4.417 1.00 1.40 C ATOM 1259 NE ARG A 78 2.288 2.699 -4.667 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.491 3.255 -4.810 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.590 2.509 -4.749 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.596 4.560 -5.022 1.00 2.42 N ATOM 0 H ARG A 78 -0.030 -0.038 -1.172 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.798 2.015 -1.920 1.00 1.25 H new ATOM 0 HB2 ARG A 78 -0.047 2.752 -3.192 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.829 1.654 -2.143 1.00 1.25 H new ATOM 0 HG2 ARG A 78 0.485 -0.119 -4.001 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.007 1.220 -5.026 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.668 0.962 -3.561 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.415 0.700 -5.276 1.00 1.40 H new ATOM 0 HE ARG A 78 1.470 3.304 -4.736 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.516 1.504 -4.592 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.507 2.942 -4.859 1.00 2.01 H new ATOM 0 HH21 ARG A 78 2.757 5.137 -5.075 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.516 4.986 -5.132 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.009 -0.711 -3.688 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.752 -1.418 -4.724 1.00 1.45 C ATOM 1278 C ARG A 79 -4.245 -1.556 -4.404 1.00 1.48 C ATOM 1279 O ARG A 79 -5.066 -1.640 -5.317 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.121 -2.788 -5.027 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.638 -2.685 -5.438 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.049 -4.044 -5.836 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.605 -4.539 -7.114 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.359 -5.705 -7.684 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.438 -6.585 -7.147 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.910 -6.013 -8.822 1.00 1.82 N ATOM 0 H ARG A 79 -1.386 -1.309 -3.146 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.685 -0.803 -5.621 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.206 -3.425 -4.146 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.682 -3.273 -5.826 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.542 -1.991 -6.273 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.062 -2.270 -4.611 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.034 -3.958 -5.922 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.250 -4.770 -5.048 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.245 -3.915 -7.606 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.895 -6.383 -6.258 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.605 -7.475 -7.616 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.537 -5.352 -9.281 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.715 -6.915 -9.255 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.602 -1.535 -3.119 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.986 -1.441 -2.655 1.00 1.50 C ATOM 1302 C HIS A 80 -6.509 -0.004 -2.806 1.00 1.44 C ATOM 1303 O HIS A 80 -7.535 0.201 -3.451 1.00 1.48 O ATOM 1304 CB HIS A 80 -6.076 -1.963 -1.209 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.544 -3.370 -1.040 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.892 -3.867 0.068 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.616 -4.400 -1.949 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.581 -5.154 -0.166 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.999 -5.526 -1.386 1.00 1.74 N ATOM 0 H HIS A 80 -3.925 -1.584 -2.358 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.631 -2.067 -3.272 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.520 -1.292 -0.554 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -7.116 -1.935 -0.885 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -6.070 -4.350 -2.928 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -4.066 -5.799 0.531 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.890 -6.444 -1.817 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.778 1.010 -2.318 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.184 2.424 -2.381 1.00 1.29 C ATOM 1320 C TYR A 81 -6.477 2.901 -3.810 1.00 1.32 C ATOM 1321 O TYR A 81 -7.450 3.628 -4.028 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.090 3.285 -1.725 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.440 4.753 -1.488 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.498 5.661 -2.568 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.652 5.226 -0.178 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.785 7.022 -2.341 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.867 6.600 0.058 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.950 7.503 -1.023 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.225 8.816 -0.788 1.00 1.11 O ATOM 0 H TYR A 81 -4.876 0.870 -1.862 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.122 2.530 -1.836 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.829 2.836 -0.767 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.199 3.242 -2.351 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.321 5.310 -3.574 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.650 4.533 0.650 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.879 7.699 -3.177 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.969 6.962 1.070 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.531 9.240 -1.617 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.704 2.445 -4.809 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.847 2.868 -6.202 1.00 1.39 C ATOM 1341 C GLU A 82 -7.121 2.326 -6.869 1.00 1.50 C ATOM 1342 O GLU A 82 -7.433 2.707 -8.001 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.578 2.580 -7.021 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.378 1.113 -7.388 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.267 0.951 -8.440 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.532 1.240 -9.634 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.144 0.515 -8.090 1.00 1.46 O ATOM 0 H GLU A 82 -4.957 1.766 -4.666 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.970 3.951 -6.183 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.612 3.169 -7.938 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.711 2.921 -6.455 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.123 0.543 -6.495 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.311 0.701 -7.773 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.866 1.455 -6.164 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.208 1.032 -6.586 1.00 1.64 C ATOM 1356 C ARG A 83 -10.296 1.252 -5.527 1.00 1.64 C ATOM 1357 O ARG A 83 -11.472 1.086 -5.846 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.192 -0.444 -7.034 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.298 -0.751 -8.243 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.758 -0.044 -9.530 1.00 1.81 C ATOM 1361 NE ARG A 83 -7.839 -0.334 -10.647 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.660 0.226 -10.857 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.249 1.266 -10.195 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -5.835 -0.264 -11.736 1.00 1.82 N ATOM 0 H ARG A 83 -7.554 1.029 -5.291 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.471 1.675 -7.426 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.864 -1.058 -6.195 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.212 -0.746 -7.271 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.275 -0.450 -8.016 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.284 -1.828 -8.412 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.765 -0.370 -9.789 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.804 1.032 -9.362 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.143 -1.035 -11.323 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -6.844 1.683 -9.480 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.331 1.665 -10.391 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.095 -1.091 -12.274 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -4.929 0.179 -11.887 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.928 1.654 -4.304 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.859 1.665 -3.173 1.00 1.57 C ATOM 1380 C LEU A 84 -11.126 3.081 -2.634 1.00 1.51 C ATOM 1381 O LEU A 84 -12.040 3.268 -1.840 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.253 0.726 -2.115 1.00 1.56 C ATOM 1383 CG LEU A 84 -11.130 0.417 -0.901 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.441 -0.264 -1.280 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.376 -0.510 0.048 1.00 1.61 C ATOM 0 H LEU A 84 -8.988 1.977 -4.074 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.845 1.316 -3.479 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.996 -0.216 -2.600 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.321 1.166 -1.761 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.363 1.372 -0.430 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -13.023 -0.460 -0.379 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -13.009 0.386 -1.945 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.229 -1.206 -1.786 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -11.001 -0.731 0.914 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -10.131 -1.438 -0.468 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.458 -0.024 0.378 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.358 4.083 -3.083 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.695 5.497 -2.832 1.00 1.41 C ATOM 1399 C ILE A 85 -10.056 6.472 -3.819 1.00 1.39 C ATOM 1400 O ILE A 85 -10.636 7.530 -4.035 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.434 5.900 -1.370 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.062 7.284 -1.074 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.944 5.872 -1.019 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.378 7.517 0.404 1.00 1.33 C ATOM 0 H ILE A 85 -9.502 3.945 -3.620 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.768 5.574 -3.008 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.914 5.159 -0.731 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.380 8.062 -1.417 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.980 7.387 -1.652 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.810 6.164 0.023 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.554 4.865 -1.167 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.405 6.568 -1.663 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.815 8.508 0.531 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.085 6.762 0.748 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.460 7.448 0.988 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.964 6.127 -4.510 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.473 6.913 -5.648 1.00 1.39 C ATOM 1418 C LEU A 86 -9.584 7.270 -6.676 1.00 1.49 C ATOM 1419 O LEU A 86 -9.622 8.426 -7.108 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.289 6.171 -6.286 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.621 6.865 -7.487 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.101 8.263 -7.145 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.445 6.034 -7.991 1.00 1.40 C ATOM 0 H LEU A 86 -8.400 5.303 -4.299 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.132 7.880 -5.279 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.532 6.010 -5.519 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.633 5.188 -6.606 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.391 6.958 -8.253 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.640 8.706 -8.028 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -6.930 8.889 -6.816 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.362 8.191 -6.347 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -4.982 6.536 -8.840 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.712 5.920 -7.193 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -5.800 5.051 -8.300 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.534 6.369 -7.031 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.682 6.736 -7.869 1.00 1.69 C ATOM 1437 C PRO A 87 -12.771 7.576 -7.169 1.00 1.71 C ATOM 1438 O PRO A 87 -13.585 8.170 -7.881 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.254 5.410 -8.388 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.873 4.407 -7.305 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.507 4.915 -6.856 1.00 1.59 C ATOM 0 HA PRO A 87 -11.338 7.397 -8.665 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.334 5.464 -8.522 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -11.826 5.139 -9.353 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.593 4.399 -6.487 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.821 3.390 -7.693 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.316 4.652 -5.816 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.710 4.466 -7.449 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.811 7.661 -5.829 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.869 8.397 -5.108 1.00 1.66 C ATOM 1451 C TYR A 88 -13.402 9.722 -4.476 1.00 1.59 C ATOM 1452 O TYR A 88 -14.171 10.680 -4.482 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.611 7.469 -4.127 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.992 7.019 -4.603 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.217 6.653 -5.949 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.065 6.969 -3.691 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.497 6.248 -6.375 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.350 6.574 -4.113 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.569 6.209 -5.458 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.805 5.817 -5.878 1.00 2.17 O ATOM 0 H TYR A 88 -12.119 7.227 -5.218 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.591 8.720 -5.858 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.997 6.586 -3.947 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.719 7.983 -3.172 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.402 6.684 -6.656 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.901 7.236 -2.658 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.658 5.967 -7.405 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.167 6.551 -3.407 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.431 5.844 -5.124 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.133 9.886 -4.073 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.587 11.216 -3.716 1.00 1.46 C ATOM 1472 C GLU A 89 -11.706 12.226 -4.885 1.00 1.53 C ATOM 1473 O GLU A 89 -11.648 13.438 -4.679 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.138 11.137 -3.186 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.074 10.760 -4.232 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.645 11.009 -3.708 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.130 10.194 -2.905 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.024 12.024 -4.116 1.00 1.29 O ATOM 0 H GLU A 89 -11.464 9.122 -3.984 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.204 11.588 -2.898 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -9.873 12.102 -2.755 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.104 10.407 -2.378 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.185 9.710 -4.501 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.235 11.341 -5.140 1.00 1.35 H new ATOM 1485 N ARG A 90 -11.972 11.702 -6.091 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.337 12.516 -7.257 1.00 1.71 C ATOM 1487 C ARG A 90 -13.495 13.497 -6.995 1.00 1.78 C ATOM 1488 O ARG A 90 -13.444 14.612 -7.513 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.629 11.564 -8.432 1.00 1.78 C ATOM 1490 CG ARG A 90 -12.728 12.290 -9.781 1.00 1.89 C ATOM 1491 CD ARG A 90 -12.850 11.278 -10.927 1.00 1.97 C ATOM 1492 NE ARG A 90 -12.902 11.951 -12.238 1.00 2.08 N ATOM 1493 CZ ARG A 90 -12.809 11.377 -13.425 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -12.671 10.087 -13.567 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -12.853 12.096 -14.510 1.00 2.25 N ATOM 0 H ARG A 90 -11.940 10.701 -6.284 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.497 13.166 -7.501 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -11.842 10.812 -8.487 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.563 11.035 -8.241 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -13.592 12.954 -9.781 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -11.847 12.914 -9.931 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.002 10.594 -10.901 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -13.749 10.677 -10.789 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.022 12.964 -12.228 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -12.632 9.485 -12.745 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -12.603 9.681 -14.500 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -12.960 13.108 -14.447 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -12.781 11.647 -15.423 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.492 13.160 -6.159 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.524 14.139 -5.755 1.00 1.84 C ATOM 1511 C PHE A 91 -15.013 15.162 -4.720 1.00 1.78 C ATOM 1512 O PHE A 91 -15.465 16.308 -4.719 1.00 1.84 O ATOM 1513 CB PHE A 91 -16.835 13.461 -5.299 1.00 1.89 C ATOM 1514 CG PHE A 91 -16.829 12.708 -3.974 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.783 13.402 -2.746 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -16.926 11.303 -3.961 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.730 12.694 -1.531 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.863 10.597 -2.749 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.732 11.291 -1.539 1.00 1.70 C ATOM 0 H PHE A 91 -14.608 12.231 -5.753 1.00 1.78 H new ATOM 0 HA PHE A 91 -15.758 14.707 -6.655 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.606 14.229 -5.243 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.138 12.762 -6.079 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.789 14.482 -2.739 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.050 10.765 -4.889 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.688 13.230 -0.594 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.916 9.518 -2.749 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.633 10.746 -0.612 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.032 14.793 -3.886 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.466 15.709 -2.875 1.00 1.62 C ATOM 1531 C ILE A 92 -12.557 16.738 -3.562 1.00 1.64 C ATOM 1532 O ILE A 92 -12.607 17.931 -3.272 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.681 14.919 -1.793 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.552 13.805 -1.164 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.164 15.875 -0.701 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.824 12.893 -0.171 1.00 1.43 C ATOM 0 H ILE A 92 -13.610 13.865 -3.888 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.282 16.233 -2.378 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.829 14.443 -2.279 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.396 14.270 -0.655 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -13.962 13.190 -1.965 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.616 15.307 0.050 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.502 16.616 -1.150 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.008 16.380 -0.230 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.519 12.146 0.214 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.997 12.393 -0.675 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.438 13.490 0.656 1.00 1.43 H new ATOM 1548 N LYS A 93 -11.768 16.266 -4.529 1.00 1.63 N ATOM 1549 CA LYS A 93 -10.730 17.073 -5.186 1.00 1.66 C ATOM 1550 C LYS A 93 -11.222 17.762 -6.468 1.00 1.78 C ATOM 1551 O LYS A 93 -10.492 18.553 -7.067 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.557 16.114 -5.432 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.210 16.817 -5.636 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.057 15.836 -5.398 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.048 14.689 -6.417 1.00 1.50 C ATOM 1556 NZ LYS A 93 -5.999 13.700 -6.083 1.00 1.41 N ATOM 0 H LYS A 93 -11.829 15.311 -4.882 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.428 17.909 -4.555 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.475 15.432 -4.586 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -9.775 15.507 -6.311 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.151 17.219 -6.647 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.125 17.661 -4.952 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.110 16.373 -5.450 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.135 15.424 -4.392 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.023 14.201 -6.432 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -6.875 15.086 -7.417 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -5.787 13.123 -6.922 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.138 14.197 -5.778 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.334 13.084 -5.315 1.00 1.41 H new ATOM 1570 N GLY A 94 -12.471 17.483 -6.851 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.096 18.073 -8.040 1.00 1.97 C ATOM 1572 C GLY A 94 -14.366 18.880 -7.741 1.00 2.05 C ATOM 1573 O GLY A 94 -14.750 19.703 -8.570 1.00 2.15 O ATOM 0 H GLY A 94 -13.080 16.840 -6.344 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -12.373 18.722 -8.534 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -13.341 17.276 -8.742 1.00 1.97 H new ATOM 1577 N GLU A 95 -14.999 18.696 -6.571 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.270 19.356 -6.211 1.00 2.08 C ATOM 1579 C GLU A 95 -16.368 19.786 -4.730 1.00 2.02 C ATOM 1580 O GLU A 95 -17.463 19.985 -4.197 1.00 2.07 O ATOM 1581 CB GLU A 95 -17.476 18.475 -6.619 1.00 2.13 C ATOM 1582 CG GLU A 95 -17.550 18.135 -8.113 1.00 2.21 C ATOM 1583 CD GLU A 95 -18.856 17.390 -8.446 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -19.878 18.049 -8.761 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -18.871 16.135 -8.409 1.00 2.26 O ATOM 0 H GLU A 95 -14.642 18.080 -5.840 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.293 20.286 -6.780 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.437 17.545 -6.051 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.395 18.986 -6.331 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -17.489 19.051 -8.701 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -16.695 17.520 -8.392 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.227 19.971 -4.054 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.170 20.499 -2.677 1.00 1.90 C ATOM 1594 C GLU A 96 -13.868 21.259 -2.333 1.00 1.87 C ATOM 1595 O GLU A 96 -13.931 22.358 -1.782 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.417 19.359 -1.666 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.655 19.884 -0.246 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.053 18.745 0.712 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.268 18.455 0.845 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.158 18.146 1.357 1.00 1.68 O ATOM 0 H GLU A 96 -14.310 19.758 -4.446 1.00 1.94 H new ATOM 0 HA GLU A 96 -15.963 21.244 -2.609 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.280 18.774 -1.984 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.559 18.686 -1.663 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.751 20.371 0.120 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.440 20.640 -0.262 1.00 1.81 H new ATOM 1607 N ASP A 97 -12.727 20.669 -2.657 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.443 21.288 -2.373 1.00 1.78 C ATOM 1609 C ASP A 97 -10.437 20.967 -3.468 1.00 1.87 C ATOM 1610 O ASP A 97 -10.693 20.129 -4.333 1.00 2.33 O ATOM 1611 CB ASP A 97 -10.913 20.806 -1.022 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.609 21.949 -0.077 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -9.466 22.453 -0.107 1.00 2.20 O ATOM 1614 OD2 ASP A 97 -11.508 22.339 0.695 1.00 2.70 O ATOM 0 H ASP A 97 -12.665 19.761 -3.117 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.584 22.368 -2.337 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -11.647 20.144 -0.562 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.009 20.218 -1.179 1.00 1.78 H new