USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 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 :FLIP amide:sc= -0.35 F(o=-2.9!,f=-0.44) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -0.0919 X(o=-0.69,f=-0.44) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.23) USER MOD Single : A 1 ARG N :NH3+ -163:sc= 1.11 (180deg=0.42) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.3,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= 0.0147 USER MOD Single : A 15 MET CE :methyl 168:sc= -1.4 (180deg=-1.77) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.187 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 2:sc= 0.0392 USER MOD Single : A 38 MET CE :methyl 160:sc= -0.0905 (180deg=-0.947) USER MOD Single : A 40 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.14) USER MOD Single : A 43 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) 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 91:sc= 0.565 USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.614 USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= -0.106 (180deg=-0.573) USER MOD Single : A 77 THR OG1 : rot 25:sc= 0.445 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 31:sc= 1.26 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= 1.4 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.178 10.733 8.846 1.00 1.75 N ATOM 2 CA ARG A 1 -15.377 9.282 9.116 1.00 1.74 C ATOM 3 C ARG A 1 -16.637 8.712 8.457 1.00 1.77 C ATOM 4 O ARG A 1 -16.564 7.791 7.633 1.00 1.74 O ATOM 5 CB ARG A 1 -15.297 8.992 10.635 1.00 1.77 C ATOM 6 CG ARG A 1 -15.291 7.495 11.005 1.00 1.77 C ATOM 7 CD ARG A 1 -16.681 6.975 11.400 1.00 1.83 C ATOM 8 NE ARG A 1 -16.663 5.522 11.627 1.00 1.84 N ATOM 9 CZ ARG A 1 -16.415 4.862 12.739 1.00 1.86 C ATOM 10 NH1 ARG A 1 -16.130 5.451 13.864 1.00 1.89 N ATOM 11 NH2 ARG A 1 -16.457 3.565 12.709 1.00 1.87 N ATOM 0 H1 ARG A 1 -14.194 10.994 9.060 1.00 1.75 H new ATOM 0 H2 ARG A 1 -15.378 10.930 7.845 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.822 11.289 9.444 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.555 8.747 8.640 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -14.393 9.454 11.032 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -16.143 9.471 11.128 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.919 6.918 10.159 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.599 7.332 11.831 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -17.018 7.482 12.304 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -17.398 7.214 10.614 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.871 4.947 10.811 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -16.091 6.469 13.911 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.946 4.894 14.699 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.678 3.082 11.838 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -16.269 3.029 13.556 1.00 1.87 H new ATOM 27 N ALA A 2 -17.809 9.223 8.848 1.00 1.84 N ATOM 28 CA ALA A 2 -19.090 8.618 8.471 1.00 1.89 C ATOM 29 C ALA A 2 -19.377 8.671 6.962 1.00 1.88 C ATOM 30 O ALA A 2 -19.893 7.708 6.399 1.00 1.89 O ATOM 31 CB ALA A 2 -20.204 9.300 9.277 1.00 1.97 C ATOM 0 H ALA A 2 -17.896 10.058 9.428 1.00 1.84 H new ATOM 0 HA ALA A 2 -19.044 7.555 8.709 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -21.166 8.863 9.010 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -20.023 9.156 10.342 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -20.215 10.366 9.052 1.00 1.97 H new ATOM 37 N ASP A 3 -18.990 9.759 6.293 1.00 1.87 N ATOM 38 CA ASP A 3 -19.179 9.901 4.845 1.00 1.88 C ATOM 39 C ASP A 3 -18.213 9.028 4.024 1.00 1.81 C ATOM 40 O ASP A 3 -18.606 8.523 2.974 1.00 1.82 O ATOM 41 CB ASP A 3 -19.017 11.380 4.475 1.00 1.90 C ATOM 42 CG ASP A 3 -19.406 11.661 3.014 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.607 11.524 2.673 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.527 12.066 2.217 1.00 1.89 O ATOM 0 H ASP A 3 -18.540 10.561 6.734 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.181 9.551 4.598 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.634 11.988 5.137 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.982 11.682 4.638 1.00 1.90 H new ATOM 49 N GLU A 4 -16.998 8.770 4.532 1.00 1.74 N ATOM 50 CA GLU A 4 -16.071 7.836 3.876 1.00 1.68 C ATOM 51 C GLU A 4 -16.631 6.418 3.978 1.00 1.69 C ATOM 52 O GLU A 4 -16.723 5.708 2.979 1.00 1.68 O ATOM 53 CB GLU A 4 -14.679 7.884 4.523 1.00 1.62 C ATOM 54 CG GLU A 4 -14.018 9.270 4.501 1.00 1.61 C ATOM 55 CD GLU A 4 -14.243 10.019 5.825 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.372 10.496 6.096 1.00 1.71 O ATOM 57 OE2 GLU A 4 -13.309 10.095 6.655 1.00 1.62 O ATOM 0 H GLU A 4 -16.637 9.191 5.388 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.970 8.129 2.831 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.761 7.550 5.557 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -14.028 7.176 4.010 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.949 9.162 4.319 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.424 9.856 3.676 1.00 1.61 H new ATOM 64 N GLN A 5 -17.102 6.033 5.172 1.00 1.72 N ATOM 65 CA GLN A 5 -17.751 4.733 5.339 1.00 1.75 C ATOM 66 C GLN A 5 -19.002 4.592 4.456 1.00 1.81 C ATOM 67 O GLN A 5 -19.120 3.605 3.730 1.00 1.81 O ATOM 68 CB GLN A 5 -18.046 4.422 6.813 1.00 1.78 C ATOM 69 CG GLN A 5 -16.752 4.128 7.600 1.00 1.73 C ATOM 70 CD GLN A 5 -16.964 3.069 8.677 1.00 1.77 C ATOM 71 OE1 GLN A 5 -17.059 3.351 9.865 1.00 1.80 O ATOM 72 NE2 GLN A 5 -17.051 1.808 8.312 1.00 1.77 N ATOM 0 H GLN A 5 -17.046 6.595 6.021 1.00 1.72 H new ATOM 0 HA GLN A 5 -17.040 3.981 4.995 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.565 5.266 7.267 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.715 3.564 6.878 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.977 3.793 6.911 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.392 5.047 8.062 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.974 1.556 7.327 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -17.195 1.083 9.014 1.00 1.77 H new ATOM 81 N ALA A 6 -19.885 5.594 4.416 1.00 1.86 N ATOM 82 CA ALA A 6 -21.039 5.598 3.513 1.00 1.92 C ATOM 83 C ALA A 6 -20.627 5.445 2.036 1.00 1.90 C ATOM 84 O ALA A 6 -21.139 4.561 1.341 1.00 1.92 O ATOM 85 CB ALA A 6 -21.849 6.878 3.751 1.00 1.98 C ATOM 0 H ALA A 6 -19.820 6.423 5.007 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.662 4.731 3.734 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.711 6.892 3.084 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -22.190 6.906 4.786 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.222 7.747 3.552 1.00 1.98 H new ATOM 91 N PHE A 7 -19.648 6.226 1.560 1.00 1.85 N ATOM 92 CA PHE A 7 -19.183 6.121 0.174 1.00 1.83 C ATOM 93 C PHE A 7 -18.315 4.881 -0.097 1.00 1.77 C ATOM 94 O PHE A 7 -18.207 4.481 -1.262 1.00 1.78 O ATOM 95 CB PHE A 7 -18.597 7.457 -0.330 1.00 1.82 C ATOM 96 CG PHE A 7 -17.136 7.818 -0.087 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.100 7.069 -0.683 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.811 9.030 0.558 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.769 7.507 -0.604 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.474 9.458 0.654 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.449 8.693 0.076 1.00 1.63 C ATOM 0 H PHE A 7 -19.165 6.934 2.113 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.061 5.938 -0.446 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.758 7.489 -1.408 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.199 8.254 0.107 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.333 6.152 -1.204 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.597 9.636 0.983 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.985 6.928 -1.070 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.237 10.375 1.172 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.421 9.014 0.154 1.00 1.63 H new ATOM 111 N LEU A 8 -17.810 4.186 0.942 1.00 1.73 N ATOM 112 CA LEU A 8 -17.144 2.899 0.681 1.00 1.69 C ATOM 113 C LEU A 8 -18.121 1.722 0.818 1.00 1.75 C ATOM 114 O LEU A 8 -17.834 0.644 0.310 1.00 1.73 O ATOM 115 CB LEU A 8 -15.921 2.742 1.607 1.00 1.63 C ATOM 116 CG LEU A 8 -14.572 2.677 0.875 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.392 1.313 0.218 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.349 3.798 -0.146 1.00 1.55 C ATOM 0 H LEU A 8 -17.847 4.475 1.919 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.793 2.892 -0.351 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.901 3.578 2.306 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.043 1.835 2.199 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.812 2.826 1.642 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.432 1.281 -0.297 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.421 0.535 0.981 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.195 1.146 -0.500 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.373 3.674 -0.615 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.126 3.755 -0.909 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.389 4.763 0.359 1.00 1.55 H new ATOM 130 N VAL A 9 -19.294 1.917 1.440 1.00 1.81 N ATOM 131 CA VAL A 9 -20.395 0.936 1.363 1.00 1.87 C ATOM 132 C VAL A 9 -21.056 1.023 -0.020 1.00 1.92 C ATOM 133 O VAL A 9 -21.362 -0.005 -0.633 1.00 1.94 O ATOM 134 CB VAL A 9 -21.412 1.143 2.507 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.715 0.355 2.313 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.804 0.677 3.837 1.00 1.91 C ATOM 0 H VAL A 9 -19.507 2.742 2.001 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.992 -0.069 1.490 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.642 2.208 2.508 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.384 0.546 3.152 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.196 0.669 1.387 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.492 -0.711 2.262 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.527 0.826 4.639 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.549 -0.381 3.770 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.904 1.254 4.048 1.00 1.91 H new ATOM 146 N ALA A 10 -21.190 2.236 -0.566 1.00 1.93 N ATOM 147 CA ALA A 10 -21.597 2.426 -1.958 1.00 1.97 C ATOM 148 C ALA A 10 -20.579 1.825 -2.947 1.00 1.92 C ATOM 149 O ALA A 10 -20.982 1.087 -3.856 1.00 1.96 O ATOM 150 CB ALA A 10 -21.815 3.924 -2.207 1.00 1.99 C ATOM 0 H ALA A 10 -21.021 3.105 -0.059 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.531 1.891 -2.131 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.119 4.080 -3.242 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.594 4.294 -1.540 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.887 4.463 -2.016 1.00 1.99 H new ATOM 156 N LEU A 11 -19.267 2.055 -2.742 1.00 1.84 N ATOM 157 CA LEU A 11 -18.250 1.326 -3.512 1.00 1.80 C ATOM 158 C LEU A 11 -18.345 -0.180 -3.284 1.00 1.80 C ATOM 159 O LEU A 11 -18.273 -0.903 -4.263 1.00 1.82 O ATOM 160 CB LEU A 11 -16.816 1.799 -3.236 1.00 1.71 C ATOM 161 CG LEU A 11 -15.765 1.020 -4.069 1.00 1.67 C ATOM 162 CD1 LEU A 11 -15.909 1.190 -5.582 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.364 1.488 -3.707 1.00 1.59 C ATOM 0 H LEU A 11 -18.897 2.723 -2.066 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.470 1.549 -4.556 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.738 2.863 -3.461 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.595 1.680 -2.175 1.00 1.71 H new ATOM 0 HG LEU A 11 -15.935 -0.029 -3.825 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.135 0.613 -6.088 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -16.891 0.835 -5.896 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.804 2.243 -5.841 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.632 0.936 -4.297 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.270 2.553 -3.918 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.184 1.311 -2.647 1.00 1.59 H new ATOM 175 N TYR A 12 -18.524 -0.676 -2.058 1.00 1.80 N ATOM 176 CA TYR A 12 -18.644 -2.116 -1.795 1.00 1.81 C ATOM 177 C TYR A 12 -19.737 -2.757 -2.654 1.00 1.89 C ATOM 178 O TYR A 12 -19.475 -3.778 -3.294 1.00 1.89 O ATOM 179 CB TYR A 12 -18.878 -2.392 -0.303 1.00 1.82 C ATOM 180 CG TYR A 12 -19.335 -3.805 0.012 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.541 -4.908 -0.359 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.591 -4.017 0.618 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.003 -6.220 -0.136 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.051 -5.326 0.851 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.261 -6.434 0.471 1.00 1.96 C ATOM 186 OH TYR A 12 -20.711 -7.701 0.679 1.00 2.02 O ATOM 0 H TYR A 12 -18.590 -0.096 -1.222 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.697 -2.577 -2.075 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.954 -2.193 0.240 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.624 -1.691 0.071 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.576 -4.747 -0.816 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.201 -3.173 0.904 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.395 -7.063 -0.429 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.010 -5.484 1.321 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.592 -7.669 1.107 1.00 2.02 H new ATOM 196 N LYS A 13 -20.916 -2.126 -2.752 1.00 1.95 N ATOM 197 CA LYS A 13 -21.955 -2.572 -3.689 1.00 2.03 C ATOM 198 C LYS A 13 -21.472 -2.511 -5.139 1.00 2.02 C ATOM 199 O LYS A 13 -21.470 -3.554 -5.801 1.00 2.05 O ATOM 200 CB LYS A 13 -23.252 -1.781 -3.440 1.00 2.10 C ATOM 201 CG LYS A 13 -24.424 -2.324 -4.276 1.00 2.18 C ATOM 202 CD LYS A 13 -25.740 -1.566 -4.033 1.00 2.25 C ATOM 203 CE LYS A 13 -26.278 -1.769 -2.609 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.593 -1.099 -2.422 1.00 2.34 N ATOM 0 H LYS A 13 -21.172 -1.310 -2.197 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.177 -3.624 -3.507 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.508 -1.828 -2.382 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.089 -0.731 -3.682 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.167 -2.264 -5.334 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.571 -3.379 -4.043 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.582 -0.502 -4.210 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.487 -1.901 -4.752 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.380 -2.835 -2.406 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.562 -1.374 -1.889 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.927 -1.256 -1.450 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.490 -0.078 -2.592 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.282 -1.494 -3.093 1.00 2.34 H new ATOM 218 N TYR A 14 -21.003 -1.358 -5.634 1.00 2.00 N ATOM 219 CA TYR A 14 -20.493 -1.299 -7.011 1.00 2.00 C ATOM 220 C TYR A 14 -19.356 -2.282 -7.345 1.00 1.95 C ATOM 221 O TYR A 14 -19.372 -2.891 -8.412 1.00 1.99 O ATOM 222 CB TYR A 14 -20.060 0.148 -7.289 1.00 1.98 C ATOM 223 CG TYR A 14 -19.780 0.442 -8.750 1.00 2.01 C ATOM 224 CD1 TYR A 14 -20.856 0.681 -9.628 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.457 0.466 -9.235 1.00 1.96 C ATOM 226 CE1 TYR A 14 -20.615 0.942 -10.989 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.212 0.719 -10.600 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.292 0.956 -11.480 1.00 2.09 C ATOM 229 OH TYR A 14 -19.052 1.164 -12.803 1.00 2.13 O ATOM 0 H TYR A 14 -20.966 -0.478 -5.120 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.307 -1.618 -7.662 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -20.840 0.823 -6.937 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.164 0.366 -6.708 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -21.869 0.664 -9.255 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -17.631 0.291 -8.561 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -21.442 1.132 -11.658 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.199 0.732 -10.973 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.086 1.143 -12.968 1.00 2.13 H new ATOM 239 N MET A 15 -18.387 -2.487 -6.448 1.00 1.88 N ATOM 240 CA MET A 15 -17.250 -3.372 -6.687 1.00 1.83 C ATOM 241 C MET A 15 -17.641 -4.852 -6.566 1.00 1.86 C ATOM 242 O MET A 15 -17.118 -5.677 -7.318 1.00 1.86 O ATOM 243 CB MET A 15 -16.022 -2.963 -5.866 1.00 1.74 C ATOM 244 CG MET A 15 -16.072 -3.304 -4.378 1.00 1.72 C ATOM 245 SD MET A 15 -14.783 -2.516 -3.366 1.00 1.62 S ATOM 246 CE MET A 15 -13.275 -2.893 -4.304 1.00 1.57 C ATOM 0 H MET A 15 -18.372 -2.040 -5.531 1.00 1.88 H new ATOM 0 HA MET A 15 -16.941 -3.251 -7.725 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.143 -3.441 -6.299 1.00 1.74 H new ATOM 0 HB3 MET A 15 -15.882 -1.887 -5.968 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.047 -3.015 -3.987 1.00 1.72 H new ATOM 0 HG3 MET A 15 -15.991 -4.385 -4.265 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.448 -2.297 -3.918 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.038 -3.952 -4.201 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.433 -2.657 -5.356 1.00 1.57 H new ATOM 256 N LYS A 16 -18.627 -5.204 -5.720 1.00 1.90 N ATOM 257 CA LYS A 16 -19.229 -6.548 -5.738 1.00 1.96 C ATOM 258 C LYS A 16 -19.960 -6.812 -7.063 1.00 2.03 C ATOM 259 O LYS A 16 -19.809 -7.886 -7.641 1.00 2.05 O ATOM 260 CB LYS A 16 -20.135 -6.712 -4.507 1.00 1.99 C ATOM 261 CG LYS A 16 -20.673 -8.142 -4.368 1.00 2.05 C ATOM 262 CD LYS A 16 -21.114 -8.421 -2.924 1.00 2.07 C ATOM 263 CE LYS A 16 -21.698 -9.834 -2.812 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.812 -10.253 -1.395 1.00 2.15 N ATOM 0 H LYS A 16 -19.022 -4.578 -5.018 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.446 -7.304 -5.679 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.576 -6.447 -3.609 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -20.971 -6.017 -4.579 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.516 -8.286 -5.044 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -19.903 -8.855 -4.662 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.264 -8.317 -2.250 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.858 -7.687 -2.615 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.680 -9.863 -3.283 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.064 -10.537 -3.353 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.257 -11.192 -1.345 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.865 -10.296 -0.968 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.395 -9.566 -0.876 1.00 2.15 H new ATOM 278 N GLU A 17 -20.628 -5.794 -7.610 1.00 2.07 N ATOM 279 CA GLU A 17 -21.181 -5.840 -8.982 1.00 2.13 C ATOM 280 C GLU A 17 -20.095 -5.777 -10.095 1.00 2.10 C ATOM 281 O GLU A 17 -20.413 -5.833 -11.286 1.00 2.16 O ATOM 282 CB GLU A 17 -22.222 -4.711 -9.117 1.00 2.18 C ATOM 283 CG GLU A 17 -23.247 -4.934 -10.237 1.00 2.27 C ATOM 284 CD GLU A 17 -24.367 -3.877 -10.179 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.232 -2.803 -10.816 1.00 2.34 O ATOM 286 OE2 GLU A 17 -25.402 -4.116 -9.511 1.00 2.37 O ATOM 0 H GLU A 17 -20.805 -4.915 -7.124 1.00 2.07 H new ATOM 0 HA GLU A 17 -21.658 -6.808 -9.132 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -22.752 -4.605 -8.170 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -21.701 -3.771 -9.298 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -22.749 -4.888 -11.205 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -23.678 -5.931 -10.147 1.00 2.27 H new ATOM 293 N ARG A 18 -18.809 -5.686 -9.717 1.00 2.02 N ATOM 294 CA ARG A 18 -17.670 -5.743 -10.664 1.00 1.99 C ATOM 295 C ARG A 18 -16.725 -6.929 -10.378 1.00 1.95 C ATOM 296 O ARG A 18 -15.570 -6.929 -10.808 1.00 1.90 O ATOM 297 CB ARG A 18 -16.956 -4.368 -10.739 1.00 1.94 C ATOM 298 CG ARG A 18 -17.518 -3.448 -11.840 1.00 2.01 C ATOM 299 CD ARG A 18 -18.836 -2.753 -11.480 1.00 2.06 C ATOM 300 NE ARG A 18 -19.441 -2.111 -12.661 1.00 2.13 N ATOM 301 CZ ARG A 18 -20.320 -2.642 -13.493 1.00 2.22 C ATOM 302 NH1 ARG A 18 -20.782 -3.855 -13.360 1.00 2.24 N ATOM 303 NH2 ARG A 18 -20.752 -1.950 -14.507 1.00 2.28 N ATOM 0 H ARG A 18 -18.524 -5.570 -8.745 1.00 2.02 H new ATOM 0 HA ARG A 18 -18.061 -5.944 -11.661 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.046 -3.867 -9.775 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -15.893 -4.528 -10.917 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -16.774 -2.687 -12.074 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -17.668 -4.036 -12.745 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -19.532 -3.481 -11.062 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -18.656 -2.005 -10.708 1.00 2.06 H new ATOM 0 HE ARG A 18 -19.150 -1.153 -12.857 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -20.465 -4.439 -12.586 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -21.460 -4.219 -14.030 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -20.412 -1.000 -14.658 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -21.430 -2.357 -15.151 1.00 2.28 H new ATOM 317 N LYS A 19 -17.215 -7.961 -9.669 1.00 1.97 N ATOM 318 CA LYS A 19 -16.524 -9.231 -9.346 1.00 1.95 C ATOM 319 C LYS A 19 -15.280 -9.011 -8.476 1.00 1.86 C ATOM 320 O LYS A 19 -14.379 -9.854 -8.420 1.00 1.84 O ATOM 321 CB LYS A 19 -16.247 -10.054 -10.626 1.00 1.99 C ATOM 322 CG LYS A 19 -17.518 -10.326 -11.451 1.00 2.09 C ATOM 323 CD LYS A 19 -17.201 -11.166 -12.695 1.00 2.13 C ATOM 324 CE LYS A 19 -18.475 -11.389 -13.520 1.00 2.22 C ATOM 325 NZ LYS A 19 -18.201 -12.177 -14.751 1.00 2.27 N ATOM 0 H LYS A 19 -18.158 -7.934 -9.282 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.195 -9.832 -8.733 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -15.525 -9.521 -11.245 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -15.790 -11.004 -10.349 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -18.251 -10.846 -10.834 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -17.969 -9.380 -11.752 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -16.449 -10.662 -13.302 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -16.779 -12.126 -12.397 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -19.216 -11.909 -12.912 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -18.905 -10.425 -13.793 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -19.085 -12.308 -15.283 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -17.513 -11.669 -15.342 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -17.814 -13.106 -14.489 1.00 2.27 H new ATOM 339 N THR A 20 -15.263 -7.877 -7.771 1.00 1.82 N ATOM 340 CA THR A 20 -14.123 -7.467 -6.952 1.00 1.73 C ATOM 341 C THR A 20 -14.593 -6.936 -5.584 1.00 1.72 C ATOM 342 O THR A 20 -14.302 -5.791 -5.247 1.00 1.68 O ATOM 343 CB THR A 20 -13.224 -6.455 -7.710 1.00 1.69 C ATOM 344 OG1 THR A 20 -12.983 -6.875 -9.038 1.00 1.72 O ATOM 345 CG2 THR A 20 -11.835 -6.298 -7.085 1.00 1.61 C ATOM 0 H THR A 20 -16.041 -7.218 -7.753 1.00 1.82 H new ATOM 0 HA THR A 20 -13.505 -8.343 -6.755 1.00 1.73 H new ATOM 0 HB THR A 20 -13.776 -5.516 -7.663 1.00 1.69 H new ATOM 0 HG1 THR A 20 -13.808 -6.797 -9.561 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.256 -5.577 -7.662 1.00 1.61 H new ATOM 0 HG22 THR A 20 -11.936 -5.945 -6.059 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.323 -7.260 -7.089 1.00 1.61 H new ATOM 353 N PRO A 21 -15.374 -7.702 -4.793 1.00 1.76 N ATOM 354 CA PRO A 21 -15.879 -7.250 -3.491 1.00 1.76 C ATOM 355 C PRO A 21 -14.757 -7.055 -2.454 1.00 1.69 C ATOM 356 O PRO A 21 -13.699 -7.676 -2.540 1.00 1.66 O ATOM 357 CB PRO A 21 -16.853 -8.347 -3.046 1.00 1.84 C ATOM 358 CG PRO A 21 -16.294 -9.608 -3.697 1.00 1.85 C ATOM 359 CD PRO A 21 -15.780 -9.082 -5.034 1.00 1.82 C ATOM 0 HA PRO A 21 -16.355 -6.273 -3.574 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.886 -8.437 -1.960 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -17.870 -8.140 -3.380 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.497 -10.054 -3.102 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.060 -10.372 -3.828 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -14.941 -9.679 -5.392 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -16.556 -9.133 -5.798 1.00 1.82 H new ATOM 367 N ILE A 22 -15.028 -6.279 -1.399 1.00 1.68 N ATOM 368 CA ILE A 22 -14.130 -6.202 -0.217 1.00 1.64 C ATOM 369 C ILE A 22 -13.966 -7.594 0.449 1.00 1.67 C ATOM 370 O ILE A 22 -12.953 -7.889 1.077 1.00 1.64 O ATOM 371 CB ILE A 22 -14.636 -5.092 0.744 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.538 -3.726 0.036 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.854 -5.067 2.072 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.078 -2.534 0.834 1.00 1.62 C ATOM 0 H ILE A 22 -15.859 -5.692 -1.329 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.124 -5.916 -0.525 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.674 -5.309 0.995 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.493 -3.536 -0.207 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.079 -3.785 -0.908 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.245 -4.274 2.710 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.964 -6.027 2.577 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.799 -4.883 1.870 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.963 -1.622 0.248 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.134 -2.692 1.055 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.522 -2.439 1.767 1.00 1.62 H new ATOM 386 N GLU A 23 -14.940 -8.477 0.206 1.00 1.74 N ATOM 387 CA GLU A 23 -14.834 -9.912 0.543 1.00 1.78 C ATOM 388 C GLU A 23 -13.590 -10.642 -0.038 1.00 1.75 C ATOM 389 O GLU A 23 -13.272 -11.740 0.430 1.00 1.78 O ATOM 390 CB GLU A 23 -16.123 -10.655 0.154 1.00 1.87 C ATOM 391 CG GLU A 23 -17.362 -10.124 0.887 1.00 1.91 C ATOM 392 CD GLU A 23 -18.595 -10.990 0.576 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.254 -10.755 -0.465 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.917 -11.910 1.367 1.00 2.06 O ATOM 0 H GLU A 23 -15.827 -8.223 -0.230 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.695 -9.935 1.624 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.277 -10.566 -0.921 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.005 -11.716 0.372 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.179 -10.117 1.961 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.552 -9.093 0.589 1.00 1.91 H new ATOM 401 N ARG A 24 -12.842 -10.048 -0.993 1.00 1.69 N ATOM 402 CA ARG A 24 -11.528 -10.538 -1.485 1.00 1.65 C ATOM 403 C ARG A 24 -10.336 -9.620 -1.132 1.00 1.57 C ATOM 404 O ARG A 24 -9.232 -9.812 -1.645 1.00 1.53 O ATOM 405 CB ARG A 24 -11.612 -10.918 -2.982 1.00 1.67 C ATOM 406 CG ARG A 24 -11.381 -9.772 -3.989 1.00 1.62 C ATOM 407 CD ARG A 24 -11.773 -10.164 -5.423 1.00 1.67 C ATOM 408 NE ARG A 24 -10.922 -11.234 -5.974 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.056 -11.831 -7.149 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.006 -11.537 -7.994 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.214 -12.759 -7.505 1.00 1.72 N ATOM 0 H ARG A 24 -13.140 -9.191 -1.458 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.303 -11.452 -0.935 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -10.879 -11.700 -3.179 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.595 -11.348 -3.172 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -11.959 -8.901 -3.682 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.331 -9.481 -3.969 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -12.813 -10.491 -5.434 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -11.707 -9.286 -6.066 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.148 -11.548 -5.389 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -12.690 -10.817 -7.762 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.064 -12.027 -8.887 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -9.453 -13.025 -6.879 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -10.315 -13.220 -8.409 1.00 1.72 H new ATOM 425 N ILE A 25 -10.545 -8.650 -0.239 1.00 1.55 N ATOM 426 CA ILE A 25 -9.581 -7.626 0.208 1.00 1.48 C ATOM 427 C ILE A 25 -9.547 -7.627 1.757 1.00 1.49 C ATOM 428 O ILE A 25 -10.150 -6.765 2.404 1.00 1.50 O ATOM 429 CB ILE A 25 -9.921 -6.232 -0.389 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.257 -6.271 -1.900 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.714 -5.303 -0.149 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.688 -4.918 -2.479 1.00 1.45 C ATOM 0 H ILE A 25 -11.448 -8.547 0.224 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.583 -7.864 -0.159 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.819 -5.866 0.110 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.384 -6.627 -2.447 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.054 -6.996 -2.066 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.927 -4.316 -0.559 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.527 -5.218 0.922 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.833 -5.717 -0.639 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -10.906 -5.030 -3.541 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.581 -4.568 -1.960 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.884 -4.193 -2.347 1.00 1.45 H new ATOM 444 N PRO A 26 -8.997 -8.683 2.382 1.00 1.53 N ATOM 445 CA PRO A 26 -9.087 -8.864 3.843 1.00 1.57 C ATOM 446 C PRO A 26 -8.272 -7.956 4.765 1.00 1.52 C ATOM 447 O PRO A 26 -8.782 -7.581 5.822 1.00 1.50 O ATOM 448 CB PRO A 26 -8.678 -10.327 4.035 1.00 1.62 C ATOM 449 CG PRO A 26 -7.795 -10.640 2.878 1.00 1.59 C ATOM 450 CD PRO A 26 -8.259 -9.777 1.734 1.00 1.55 C ATOM 0 HA PRO A 26 -10.095 -8.584 4.150 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.154 -10.469 4.980 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.550 -10.981 4.053 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.752 -10.434 3.120 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.859 -11.696 2.617 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.417 -9.400 1.153 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.896 -10.335 1.047 1.00 1.55 H new ATOM 458 N TYR A 27 -7.052 -7.569 4.418 1.00 1.52 N ATOM 459 CA TYR A 27 -6.267 -6.788 5.379 1.00 1.49 C ATOM 460 C TYR A 27 -5.550 -5.562 4.808 1.00 1.38 C ATOM 461 O TYR A 27 -5.678 -5.199 3.640 1.00 1.34 O ATOM 462 CB TYR A 27 -5.190 -7.695 5.994 1.00 1.61 C ATOM 463 CG TYR A 27 -5.692 -8.980 6.614 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.241 -8.997 7.887 1.00 1.91 C ATOM 465 CD2 TYR A 27 -5.597 -10.184 5.923 1.00 1.76 C ATOM 466 CE1 TYR A 27 -6.684 -10.177 8.459 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.039 -11.367 6.486 1.00 2.09 C ATOM 468 CZ TYR A 27 -6.581 -11.360 7.753 1.00 2.29 C ATOM 469 OH TYR A 27 -7.025 -12.536 8.317 1.00 2.75 O ATOM 0 H TYR A 27 -6.597 -7.767 3.527 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.995 -6.418 6.101 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.466 -7.946 5.219 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.657 -7.129 6.757 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.324 -8.074 8.442 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -5.171 -10.195 4.931 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -7.108 -10.173 9.452 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.960 -12.293 5.935 1.00 2.09 H new ATOM 0 HH TYR A 27 -6.881 -13.275 7.689 1.00 2.75 H new ATOM 479 N LEU A 28 -4.795 -4.949 5.727 1.00 1.39 N ATOM 480 CA LEU A 28 -3.910 -3.809 5.494 1.00 1.35 C ATOM 481 C LEU A 28 -2.511 -4.330 5.802 1.00 1.35 C ATOM 482 O LEU A 28 -2.404 -5.386 6.434 1.00 1.38 O ATOM 483 CB LEU A 28 -4.275 -2.644 6.413 1.00 1.42 C ATOM 484 CG LEU A 28 -3.412 -1.385 6.302 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.679 -0.648 4.999 1.00 1.58 C ATOM 486 CD2 LEU A 28 -3.668 -0.478 7.494 1.00 1.77 C ATOM 0 H LEU A 28 -4.787 -5.252 6.701 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.988 -3.429 4.475 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -5.310 -2.366 6.215 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -4.231 -2.997 7.443 1.00 1.42 H new ATOM 0 HG LEU A 28 -2.364 -1.684 6.302 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.051 0.242 4.949 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.449 -1.302 4.158 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.728 -0.355 4.955 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.051 0.417 7.410 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -4.720 -0.193 7.515 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.417 -1.006 8.414 1.00 1.77 H new ATOM 583 N ASN A 34 -9.320 -1.035 7.045 1.00 1.56 N ATOM 584 CA ASN A 34 -9.575 0.393 7.368 1.00 1.58 C ATOM 585 C ASN A 34 -9.297 1.340 6.175 1.00 1.57 C ATOM 586 O ASN A 34 -8.190 1.864 6.039 1.00 1.91 O ATOM 587 CB ASN A 34 -8.745 0.811 8.593 1.00 1.60 C ATOM 588 CG ASN A 34 -9.246 0.177 9.880 1.00 1.73 C ATOM 589 OD1 ASN A 34 -10.425 -0.157 10.006 1.00 2.14 O ATOM 590 ND2 ASN A 34 -8.350 0.020 10.847 1.00 2.10 N ATOM 0 HA ASN A 34 -10.637 0.485 7.596 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -7.704 0.530 8.435 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.771 1.896 8.692 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -8.628 -0.392 11.738 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -7.384 0.311 10.699 1.00 2.10 H new ATOM 597 N LEU A 35 -10.314 1.578 5.335 1.00 1.38 N ATOM 598 CA LEU A 35 -10.154 2.419 4.131 1.00 1.34 C ATOM 599 C LEU A 35 -9.943 3.908 4.422 1.00 1.32 C ATOM 600 O LEU A 35 -8.939 4.476 3.998 1.00 1.28 O ATOM 601 CB LEU A 35 -11.366 2.253 3.202 1.00 1.40 C ATOM 602 CG LEU A 35 -11.195 2.787 1.763 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.421 4.289 1.699 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.823 2.443 1.204 1.00 1.52 C ATOM 0 H LEU A 35 -11.254 1.204 5.463 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.242 2.065 3.650 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.614 1.193 3.148 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.219 2.757 3.656 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.951 2.298 1.149 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.293 4.633 0.673 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.432 4.520 2.036 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.700 4.793 2.343 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.735 2.833 0.190 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.052 2.889 1.832 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.697 1.360 1.188 1.00 1.52 H new ATOM 616 N TRP A 36 -10.900 4.541 5.110 1.00 1.37 N ATOM 617 CA TRP A 36 -10.830 5.981 5.412 1.00 1.37 C ATOM 618 C TRP A 36 -9.478 6.390 6.021 1.00 1.32 C ATOM 619 O TRP A 36 -9.041 7.528 5.858 1.00 1.31 O ATOM 620 CB TRP A 36 -11.982 6.396 6.339 1.00 1.45 C ATOM 621 CG TRP A 36 -12.203 5.469 7.497 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.830 4.257 7.467 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.810 5.684 8.856 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.831 3.694 8.720 1.00 1.61 N ATOM 625 CE2 TRP A 36 -12.215 4.554 9.591 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.150 6.721 9.520 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.978 4.434 10.959 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -10.918 6.600 10.876 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.330 5.465 11.582 1.00 1.66 C ATOM 0 H TRP A 36 -11.735 4.080 5.470 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.927 6.508 4.463 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.783 7.397 6.722 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.900 6.455 5.755 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -13.263 3.806 6.586 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -13.225 2.785 8.962 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -10.827 7.601 8.983 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -12.294 3.559 11.507 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -10.410 7.396 11.400 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -11.132 5.401 12.642 1.00 1.66 H new ATOM 640 N THR A 37 -8.831 5.457 6.717 1.00 1.32 N ATOM 641 CA THR A 37 -7.527 5.705 7.361 1.00 1.29 C ATOM 642 C THR A 37 -6.373 5.747 6.353 1.00 1.23 C ATOM 643 O THR A 37 -5.613 6.713 6.364 1.00 1.21 O ATOM 644 CB THR A 37 -7.224 4.660 8.447 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.221 4.699 9.444 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.899 4.907 9.173 1.00 1.35 C ATOM 0 H THR A 37 -9.187 4.511 6.854 1.00 1.32 H new ATOM 0 HA THR A 37 -7.606 6.688 7.825 1.00 1.29 H new ATOM 0 HB THR A 37 -7.182 3.704 7.925 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.899 5.364 9.203 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.747 4.134 9.926 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.080 4.880 8.454 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.925 5.884 9.656 1.00 1.35 H new ATOM 654 N MET A 38 -6.237 4.766 5.447 1.00 1.20 N ATOM 655 CA MET A 38 -5.209 4.854 4.387 1.00 1.15 C ATOM 656 C MET A 38 -5.449 6.045 3.442 1.00 1.13 C ATOM 657 O MET A 38 -4.494 6.638 2.943 1.00 1.11 O ATOM 658 CB MET A 38 -5.034 3.539 3.605 1.00 1.14 C ATOM 659 CG MET A 38 -6.288 3.040 2.886 1.00 1.17 C ATOM 660 SD MET A 38 -5.957 1.973 1.456 1.00 1.17 S ATOM 661 CE MET A 38 -6.887 0.480 1.892 1.00 1.25 C ATOM 0 H MET A 38 -6.808 3.921 5.422 1.00 1.20 H new ATOM 0 HA MET A 38 -4.267 5.032 4.905 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.242 3.675 2.869 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.698 2.766 4.296 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.906 2.492 3.597 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.869 3.901 2.555 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.076 -0.107 0.993 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.309 -0.115 2.599 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.836 0.763 2.347 1.00 1.25 H new ATOM 671 N PHE A 39 -6.716 6.433 3.254 1.00 1.17 N ATOM 672 CA PHE A 39 -7.068 7.648 2.524 1.00 1.19 C ATOM 673 C PHE A 39 -6.564 8.911 3.223 1.00 1.20 C ATOM 674 O PHE A 39 -5.743 9.621 2.646 1.00 1.20 O ATOM 675 CB PHE A 39 -8.574 7.719 2.275 1.00 1.25 C ATOM 676 CG PHE A 39 -8.981 8.991 1.552 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.550 9.214 0.229 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.745 9.974 2.211 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.893 10.400 -0.439 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.074 11.169 1.547 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.647 11.384 0.225 1.00 1.44 C ATOM 0 H PHE A 39 -7.521 5.913 3.604 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.564 7.599 1.559 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.884 6.855 1.687 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.100 7.661 3.228 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.952 8.468 -0.274 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.078 9.810 3.225 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.579 10.556 -1.460 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.656 11.924 2.054 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.898 12.305 -0.281 1.00 1.44 H new ATOM 691 N GLN A 40 -6.983 9.196 4.465 1.00 1.24 N ATOM 692 CA GLN A 40 -6.501 10.413 5.145 1.00 1.27 C ATOM 693 C GLN A 40 -4.976 10.405 5.376 1.00 1.25 C ATOM 694 O GLN A 40 -4.350 11.465 5.351 1.00 1.28 O ATOM 695 CB GLN A 40 -7.301 10.669 6.434 1.00 1.33 C ATOM 696 CG GLN A 40 -6.948 9.702 7.572 1.00 1.33 C ATOM 697 CD GLN A 40 -8.005 9.685 8.670 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.869 10.292 9.723 1.00 1.44 O ATOM 699 NE2 GLN A 40 -9.089 8.972 8.461 1.00 1.40 N ATOM 0 H GLN A 40 -7.632 8.624 5.006 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.681 11.255 4.477 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.122 11.691 6.767 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.366 10.587 6.215 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.832 8.696 7.168 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.987 9.986 8.001 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.205 8.465 7.584 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.815 8.926 9.176 1.00 1.40 H new ATOM 708 N ALA A 41 -4.357 9.224 5.511 1.00 1.21 N ATOM 709 CA ALA A 41 -2.904 9.075 5.509 1.00 1.20 C ATOM 710 C ALA A 41 -2.290 9.499 4.166 1.00 1.18 C ATOM 711 O ALA A 41 -1.428 10.375 4.141 1.00 1.21 O ATOM 712 CB ALA A 41 -2.544 7.629 5.863 1.00 1.18 C ATOM 0 H ALA A 41 -4.858 8.343 5.625 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.481 9.740 6.262 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.460 7.513 5.863 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.934 7.389 6.852 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.981 6.955 5.127 1.00 1.18 H new ATOM 718 N ALA A 42 -2.770 8.966 3.038 1.00 1.14 N ATOM 719 CA ALA A 42 -2.328 9.386 1.707 1.00 1.14 C ATOM 720 C ALA A 42 -2.526 10.890 1.466 1.00 1.20 C ATOM 721 O ALA A 42 -1.652 11.533 0.902 1.00 1.23 O ATOM 722 CB ALA A 42 -3.047 8.548 0.643 1.00 1.11 C ATOM 0 H ALA A 42 -3.477 8.231 3.023 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.254 9.212 1.637 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.719 8.860 -0.349 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.810 7.494 0.789 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.124 8.694 0.731 1.00 1.11 H new ATOM 728 N GLN A 43 -3.629 11.469 1.955 1.00 1.23 N ATOM 729 CA GLN A 43 -3.901 12.904 1.801 1.00 1.31 C ATOM 730 C GLN A 43 -2.945 13.779 2.640 1.00 1.35 C ATOM 731 O GLN A 43 -2.674 14.921 2.265 1.00 1.42 O ATOM 732 CB GLN A 43 -5.373 13.217 2.121 1.00 1.35 C ATOM 733 CG GLN A 43 -6.374 12.590 1.128 1.00 1.35 C ATOM 734 CD GLN A 43 -6.131 12.977 -0.332 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.960 14.137 -0.684 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.089 12.025 -1.241 1.00 1.35 N ATOM 0 H GLN A 43 -4.353 10.962 2.464 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.715 13.156 0.757 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.600 12.860 3.125 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.512 14.298 2.128 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.327 11.505 1.218 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.384 12.889 1.409 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.229 11.052 -0.968 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.916 12.260 -2.218 1.00 1.35 H new ATOM 745 N LYS A 44 -2.379 13.220 3.720 1.00 1.33 N ATOM 746 CA LYS A 44 -1.314 13.888 4.486 1.00 1.39 C ATOM 747 C LYS A 44 0.037 13.741 3.784 1.00 1.39 C ATOM 748 O LYS A 44 0.740 14.732 3.586 1.00 1.45 O ATOM 749 CB LYS A 44 -1.296 13.307 5.911 1.00 1.39 C ATOM 750 CG LYS A 44 -0.393 14.110 6.858 1.00 1.47 C ATOM 751 CD LYS A 44 -0.275 13.469 8.248 1.00 1.49 C ATOM 752 CE LYS A 44 -1.640 13.251 8.918 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.478 12.788 10.318 1.00 1.53 N ATOM 0 H LYS A 44 -2.642 12.304 4.084 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.512 14.958 4.548 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.311 13.292 6.307 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.952 12.273 5.875 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.600 14.199 6.418 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.788 15.121 6.961 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.239 12.512 8.160 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.341 14.104 8.885 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.209 14.180 8.902 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.213 12.516 8.352 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.415 12.648 10.748 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.955 11.889 10.328 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.951 13.502 10.861 1.00 1.53 H new ATOM 767 N LEU A 45 0.342 12.522 3.338 1.00 1.32 N ATOM 768 CA LEU A 45 1.532 12.248 2.521 1.00 1.32 C ATOM 769 C LEU A 45 1.438 12.766 1.047 1.00 1.34 C ATOM 770 O LEU A 45 2.289 12.414 0.226 1.00 1.34 O ATOM 771 CB LEU A 45 1.913 10.741 2.658 1.00 1.27 C ATOM 772 CG LEU A 45 2.523 10.223 3.996 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.619 11.148 4.530 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.512 10.006 5.119 1.00 1.29 C ATOM 0 H LEU A 45 -0.225 11.696 3.530 1.00 1.32 H new ATOM 0 HA LEU A 45 2.358 12.840 2.914 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.014 10.157 2.461 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.623 10.510 1.864 1.00 1.27 H new ATOM 0 HG LEU A 45 2.935 9.253 3.719 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.013 10.745 5.463 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.423 11.220 3.798 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.203 12.139 4.710 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.028 9.646 6.009 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.012 10.948 5.346 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.772 9.269 4.805 1.00 1.29 H new ATOM 786 N GLY A 46 0.452 13.622 0.711 1.00 1.36 N ATOM 787 CA GLY A 46 0.464 14.364 -0.579 1.00 1.42 C ATOM 788 C GLY A 46 -0.473 13.865 -1.698 1.00 1.40 C ATOM 789 O GLY A 46 -0.224 14.095 -2.884 1.00 1.44 O ATOM 0 H GLY A 46 -0.356 13.819 1.302 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.214 15.404 -0.371 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.484 14.352 -0.964 1.00 1.42 H new ATOM 793 N GLY A 47 -1.544 13.185 -1.293 1.00 1.34 N ATOM 794 CA GLY A 47 -2.429 12.453 -2.195 1.00 1.32 C ATOM 795 C GLY A 47 -1.732 11.336 -2.977 1.00 1.28 C ATOM 796 O GLY A 47 -0.506 11.199 -2.973 1.00 1.27 O ATOM 0 H GLY A 47 -1.825 13.127 -0.314 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.246 12.023 -1.616 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.873 13.155 -2.901 1.00 1.32 H new ATOM 800 N TYR A 48 -2.533 10.560 -3.711 1.00 1.27 N ATOM 801 CA TYR A 48 -2.007 9.569 -4.663 1.00 1.26 C ATOM 802 C TYR A 48 -0.999 10.155 -5.677 1.00 1.32 C ATOM 803 O TYR A 48 -0.174 9.424 -6.226 1.00 1.31 O ATOM 804 CB TYR A 48 -3.184 8.900 -5.380 1.00 1.28 C ATOM 805 CG TYR A 48 -2.827 7.615 -6.107 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.721 6.410 -5.386 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.613 7.621 -7.499 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.437 5.205 -6.055 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.310 6.421 -8.170 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.233 5.209 -7.452 1.00 1.27 C ATOM 811 OH TYR A 48 -1.966 4.052 -8.113 1.00 1.29 O ATOM 0 H TYR A 48 -3.551 10.596 -3.667 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.441 8.833 -4.092 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.964 8.685 -4.650 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.604 9.604 -6.098 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.858 6.411 -4.315 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.681 8.546 -8.052 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.375 4.280 -5.501 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.136 6.428 -9.236 1.00 1.33 H new ATOM 0 HH TYR A 48 -1.855 4.239 -9.068 1.00 1.29 H new ATOM 821 N GLU A 49 -1.019 11.472 -5.913 1.00 1.39 N ATOM 822 CA GLU A 49 -0.145 12.099 -6.916 1.00 1.47 C ATOM 823 C GLU A 49 1.297 12.263 -6.424 1.00 1.46 C ATOM 824 O GLU A 49 2.226 11.847 -7.123 1.00 1.48 O ATOM 825 CB GLU A 49 -0.733 13.450 -7.347 1.00 1.57 C ATOM 826 CG GLU A 49 -1.932 13.235 -8.278 1.00 1.61 C ATOM 827 CD GLU A 49 -2.681 14.548 -8.542 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.165 15.424 -9.279 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.813 14.691 -8.023 1.00 1.72 O ATOM 0 H GLU A 49 -1.630 12.126 -5.424 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.102 11.431 -7.776 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.043 14.016 -6.469 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.029 14.041 -7.855 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.589 12.814 -9.223 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.613 12.509 -7.834 1.00 1.61 H new ATOM 836 N THR A 50 1.514 12.778 -5.206 1.00 1.44 N ATOM 837 CA THR A 50 2.847 12.762 -4.580 1.00 1.45 C ATOM 838 C THR A 50 3.295 11.325 -4.322 1.00 1.37 C ATOM 839 O THR A 50 4.461 10.993 -4.538 1.00 1.40 O ATOM 840 CB THR A 50 2.897 13.562 -3.269 1.00 1.46 C ATOM 841 OG1 THR A 50 2.475 14.891 -3.498 1.00 1.54 O ATOM 842 CG2 THR A 50 4.305 13.658 -2.679 1.00 1.50 C ATOM 0 H THR A 50 0.788 13.210 -4.635 1.00 1.44 H new ATOM 0 HA THR A 50 3.528 13.243 -5.282 1.00 1.45 H new ATOM 0 HB THR A 50 2.247 13.030 -2.575 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.507 14.956 -3.358 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.274 14.235 -1.755 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.681 12.657 -2.469 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.965 14.151 -3.392 1.00 1.50 H new ATOM 850 N ILE A 51 2.362 10.444 -3.946 1.00 1.30 N ATOM 851 CA ILE A 51 2.641 9.009 -3.804 1.00 1.24 C ATOM 852 C ILE A 51 3.209 8.396 -5.094 1.00 1.27 C ATOM 853 O ILE A 51 4.204 7.677 -5.037 1.00 1.27 O ATOM 854 CB ILE A 51 1.365 8.299 -3.276 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.455 8.020 -1.764 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.013 6.997 -4.004 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.344 9.293 -0.912 1.00 1.17 C ATOM 0 H ILE A 51 1.398 10.702 -3.733 1.00 1.30 H new ATOM 0 HA ILE A 51 3.432 8.860 -3.070 1.00 1.24 H new ATOM 0 HB ILE A 51 0.562 9.007 -3.482 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.662 7.329 -1.480 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.402 7.525 -1.547 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.109 6.570 -3.570 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.845 7.205 -5.061 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.835 6.288 -3.900 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.414 9.031 0.144 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.153 9.976 -1.171 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.386 9.776 -1.103 1.00 1.17 H new ATOM 869 N THR A 52 2.626 8.704 -6.251 1.00 1.30 N ATOM 870 CA THR A 52 3.108 8.173 -7.540 1.00 1.35 C ATOM 871 C THR A 52 4.411 8.836 -7.982 1.00 1.42 C ATOM 872 O THR A 52 5.298 8.153 -8.500 1.00 1.45 O ATOM 873 CB THR A 52 2.021 8.326 -8.616 1.00 1.39 C ATOM 874 OG1 THR A 52 0.898 7.573 -8.213 1.00 1.34 O ATOM 875 CG2 THR A 52 2.429 7.772 -9.982 1.00 1.45 C ATOM 0 H THR A 52 1.817 9.320 -6.330 1.00 1.30 H new ATOM 0 HA THR A 52 3.322 7.113 -7.403 1.00 1.35 H new ATOM 0 HB THR A 52 1.830 9.395 -8.715 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.415 8.057 -7.511 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.613 7.914 -10.691 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.315 8.298 -10.338 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.650 6.708 -9.892 1.00 1.45 H new ATOM 883 N ALA A 53 4.572 10.133 -7.711 1.00 1.47 N ATOM 884 CA ALA A 53 5.816 10.846 -7.997 1.00 1.55 C ATOM 885 C ALA A 53 7.003 10.424 -7.099 1.00 1.54 C ATOM 886 O ALA A 53 8.153 10.626 -7.507 1.00 1.61 O ATOM 887 CB ALA A 53 5.539 12.349 -7.862 1.00 1.61 C ATOM 0 H ALA A 53 3.848 10.715 -7.290 1.00 1.47 H new ATOM 0 HA ALA A 53 6.126 10.589 -9.010 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.452 12.907 -8.070 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.765 12.641 -8.571 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.203 12.568 -6.848 1.00 1.61 H new ATOM 893 N ARG A 54 6.749 9.851 -5.907 1.00 1.47 N ATOM 894 CA ARG A 54 7.821 9.638 -4.899 1.00 1.49 C ATOM 895 C ARG A 54 7.893 8.241 -4.262 1.00 1.44 C ATOM 896 O ARG A 54 8.841 7.979 -3.523 1.00 1.48 O ATOM 897 CB ARG A 54 7.669 10.689 -3.778 1.00 1.51 C ATOM 898 CG ARG A 54 7.774 12.165 -4.206 1.00 1.59 C ATOM 899 CD ARG A 54 9.152 12.563 -4.761 1.00 1.68 C ATOM 900 NE ARG A 54 10.242 12.353 -3.783 1.00 1.72 N ATOM 901 CZ ARG A 54 10.581 13.139 -2.775 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.960 14.256 -2.518 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.571 12.812 -1.995 1.00 1.82 N ATOM 0 H ARG A 54 5.826 9.529 -5.615 1.00 1.47 H new ATOM 0 HA ARG A 54 8.752 9.740 -5.456 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.701 10.540 -3.299 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.432 10.497 -3.023 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.017 12.367 -4.964 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.543 12.798 -3.349 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.359 11.982 -5.660 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.131 13.612 -5.057 1.00 1.68 H new ATOM 0 HE ARG A 54 10.796 11.504 -3.900 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.180 14.553 -3.105 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.254 14.833 -1.730 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.087 11.948 -2.161 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.831 13.420 -1.218 1.00 1.82 H new ATOM 917 N ARG A 55 6.928 7.346 -4.526 1.00 1.37 N ATOM 918 CA ARG A 55 6.734 6.057 -3.814 1.00 1.32 C ATOM 919 C ARG A 55 6.685 6.296 -2.301 1.00 1.31 C ATOM 920 O ARG A 55 7.440 5.742 -1.503 1.00 1.35 O ATOM 921 CB ARG A 55 7.744 4.986 -4.293 1.00 1.37 C ATOM 922 CG ARG A 55 7.925 4.921 -5.826 1.00 1.40 C ATOM 923 CD ARG A 55 6.629 4.680 -6.622 1.00 1.35 C ATOM 924 NE ARG A 55 6.548 5.550 -7.816 1.00 1.40 N ATOM 925 CZ ARG A 55 7.101 5.364 -8.999 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.823 4.318 -9.286 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.926 6.262 -9.923 1.00 1.51 N ATOM 0 H ARG A 55 6.237 7.496 -5.261 1.00 1.37 H new ATOM 0 HA ARG A 55 5.765 5.629 -4.070 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.712 5.185 -3.833 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.416 4.010 -3.936 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.374 5.855 -6.164 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.632 4.125 -6.060 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.580 3.635 -6.929 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.768 4.864 -5.979 1.00 1.35 H new ATOM 0 HE ARG A 55 5.995 6.401 -7.711 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.981 3.598 -8.581 1.00 1.49 H new ATOM 0 HH12 ARG A 55 8.230 4.219 -10.216 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.369 7.093 -9.727 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.346 6.135 -10.844 1.00 1.51 H new ATOM 941 N GLN A 56 5.748 7.182 -1.949 1.00 1.28 N ATOM 942 CA GLN A 56 5.622 7.688 -0.577 1.00 1.29 C ATOM 943 C GLN A 56 4.816 6.741 0.339 1.00 1.24 C ATOM 944 O GLN A 56 4.659 7.041 1.522 1.00 1.25 O ATOM 945 CB GLN A 56 5.036 9.116 -0.590 1.00 1.30 C ATOM 946 CG GLN A 56 5.649 10.055 0.467 1.00 1.37 C ATOM 947 CD GLN A 56 6.923 10.746 -0.025 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.102 10.346 0.398 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.879 11.685 -0.807 1.00 1.51 N flip ATOM 0 H GLN A 56 5.062 7.566 -2.599 1.00 1.28 H new ATOM 0 HA GLN A 56 6.623 7.728 -0.147 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.187 9.551 -1.578 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.960 9.057 -0.428 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.915 10.811 0.745 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.875 9.484 1.367 1.00 1.37 H new ATOM 0 HE21 GLN A 56 5.979 12.019 -1.153 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.742 12.135 -1.113 1.00 1.51 H new ATOM 958 N TRP A 57 4.338 5.585 -0.152 1.00 1.19 N ATOM 959 CA TRP A 57 3.663 4.562 0.667 1.00 1.17 C ATOM 960 C TRP A 57 4.487 4.110 1.875 1.00 1.24 C ATOM 961 O TRP A 57 3.912 3.849 2.928 1.00 1.24 O ATOM 962 CB TRP A 57 3.249 3.344 -0.166 1.00 1.15 C ATOM 963 CG TRP A 57 2.121 3.593 -1.105 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.229 3.858 -2.424 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.696 3.604 -0.797 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.968 4.060 -2.945 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.015 3.933 -1.988 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.066 3.388 0.369 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.411 4.072 -2.012 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.464 3.509 0.357 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.132 3.855 -0.829 1.00 1.06 C ATOM 0 H TRP A 57 4.410 5.331 -1.137 1.00 1.19 H new ATOM 0 HA TRP A 57 2.767 5.051 1.049 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.111 3.000 -0.737 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.971 2.535 0.510 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.153 3.904 -2.981 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.785 4.278 -3.924 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.435 3.125 1.289 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.921 4.341 -2.925 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.028 3.336 1.262 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.207 3.955 -0.830 1.00 1.06 H new ATOM 982 N LYS A 58 5.809 4.139 1.785 1.00 1.32 N ATOM 983 CA LYS A 58 6.629 3.794 2.944 1.00 1.42 C ATOM 984 C LYS A 58 6.370 4.799 4.081 1.00 1.43 C ATOM 985 O LYS A 58 6.493 4.466 5.259 1.00 1.51 O ATOM 986 CB LYS A 58 8.115 3.782 2.581 1.00 1.54 C ATOM 987 CG LYS A 58 8.495 2.698 1.585 1.00 1.98 C ATOM 988 CD LYS A 58 8.119 1.311 2.087 1.00 2.07 C ATOM 989 CE LYS A 58 6.899 0.765 1.357 1.00 2.58 C ATOM 990 NZ LYS A 58 7.158 0.588 -0.096 1.00 2.89 N ATOM 0 H LYS A 58 6.330 4.391 0.945 1.00 1.32 H new ATOM 0 HA LYS A 58 6.354 2.793 3.276 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.386 4.753 2.168 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.701 3.648 3.491 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.997 2.888 0.634 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.568 2.738 1.396 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.961 0.632 1.949 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.915 1.353 3.157 1.00 2.07 H new ATOM 0 HE2 LYS A 58 6.612 -0.191 1.794 1.00 2.58 H new ATOM 0 HE3 LYS A 58 6.058 1.444 1.496 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 6.582 -0.198 -0.458 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 6.909 1.462 -0.602 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 8.165 0.376 -0.246 1.00 2.89 H new ATOM 1004 N HIS A 59 6.020 6.036 3.701 1.00 1.39 N ATOM 1005 CA HIS A 59 5.713 7.107 4.659 1.00 1.40 C ATOM 1006 C HIS A 59 4.298 6.938 5.243 1.00 1.32 C ATOM 1007 O HIS A 59 4.045 7.313 6.384 1.00 1.35 O ATOM 1008 CB HIS A 59 5.926 8.475 4.007 1.00 1.43 C ATOM 1009 CG HIS A 59 7.353 8.692 3.580 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.120 8.031 2.673 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.162 9.671 4.115 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.364 8.616 2.682 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.362 9.603 3.560 1.00 1.79 N flip ATOM 0 H HIS A 59 5.942 6.321 2.725 1.00 1.39 H new ATOM 0 HA HIS A 59 6.401 7.040 5.502 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.272 8.567 3.140 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.637 9.258 4.708 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.863 10.383 4.870 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.204 8.318 2.072 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.153 10.211 3.774 1.00 1.79 H new ATOM 1022 N ILE A 60 3.364 6.426 4.429 1.00 1.23 N ATOM 1023 CA ILE A 60 2.013 6.081 4.897 1.00 1.20 C ATOM 1024 C ILE A 60 2.175 4.997 5.959 1.00 1.27 C ATOM 1025 O ILE A 60 1.608 5.145 7.030 1.00 1.33 O ATOM 1026 CB ILE A 60 1.065 5.668 3.749 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.724 6.930 2.925 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.214 5.002 4.297 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.040 6.647 1.629 1.00 1.14 C ATOM 0 H ILE A 60 3.520 6.241 3.438 1.00 1.23 H new ATOM 0 HA ILE A 60 1.528 6.957 5.328 1.00 1.20 H new ATOM 0 HB ILE A 60 1.557 4.933 3.112 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.131 7.604 3.543 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.649 7.452 2.681 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.863 4.722 3.467 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.054 4.111 4.865 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.739 5.702 4.947 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.239 7.586 1.112 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.558 5.999 0.988 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.984 6.154 1.863 1.00 1.14 H new ATOM 1238 N THR A 77 -0.764 -1.999 -0.055 1.00 1.35 N ATOM 1239 CA THR A 77 -1.840 -1.014 0.089 1.00 1.39 C ATOM 1240 C THR A 77 -2.032 -0.195 -1.195 1.00 1.34 C ATOM 1241 O THR A 77 -3.134 0.264 -1.484 1.00 1.38 O ATOM 1242 CB THR A 77 -1.545 -0.042 1.254 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.887 -0.732 2.324 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.826 0.587 1.779 1.00 1.49 C ATOM 0 HA THR A 77 -2.752 -1.573 0.295 1.00 1.39 H new ATOM 0 HB THR A 77 -0.896 0.746 0.872 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.420 -1.517 1.969 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.589 1.266 2.598 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.314 1.141 0.978 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.495 -0.195 2.138 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.943 -0.018 -1.948 1.00 1.27 N ATOM 1253 CA ARG A 78 -0.950 0.744 -3.206 1.00 1.25 C ATOM 1254 C ARG A 78 -1.862 0.095 -4.259 1.00 1.30 C ATOM 1255 O ARG A 78 -2.621 0.774 -4.950 1.00 1.29 O ATOM 1256 CB ARG A 78 0.494 0.829 -3.734 1.00 1.25 C ATOM 1257 CG ARG A 78 0.650 1.480 -5.104 1.00 1.33 C ATOM 1258 CD ARG A 78 1.993 1.116 -5.727 1.00 1.40 C ATOM 1259 NE ARG A 78 2.427 2.080 -6.739 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.700 2.254 -7.101 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.666 1.536 -6.534 1.00 2.01 N ATOM 1262 NH2 ARG A 78 4.010 3.145 -8.032 1.00 2.42 N ATOM 0 H ARG A 78 -0.028 -0.399 -1.705 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.343 1.742 -3.011 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.094 1.386 -3.015 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.906 -0.179 -3.780 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.159 1.157 -5.759 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.570 2.563 -5.008 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.748 1.054 -4.943 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.922 0.127 -6.180 1.00 1.40 H new ATOM 0 HE ARG A 78 1.716 2.652 -7.194 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.436 0.847 -5.818 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.637 1.674 -6.816 1.00 2.01 H new ATOM 0 HH21 ARG A 78 3.275 3.699 -8.473 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.983 3.277 -8.308 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.765 -1.224 -4.354 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.526 -2.033 -5.300 1.00 1.45 C ATOM 1278 C ARG A 79 -3.998 -2.193 -4.905 1.00 1.48 C ATOM 1279 O ARG A 79 -4.852 -2.375 -5.773 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.860 -3.402 -5.522 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.400 -3.285 -6.001 1.00 1.51 C ATOM 1282 CD ARG A 79 0.220 -4.653 -6.317 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.370 -5.265 -7.529 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.105 -6.464 -8.016 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.742 -7.273 -7.446 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.691 -6.878 -9.103 1.00 1.82 N ATOM 0 H ARG A 79 -1.142 -1.775 -3.763 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.518 -1.488 -6.244 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.888 -3.970 -4.592 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.435 -3.966 -6.257 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.361 -2.657 -6.891 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.193 -2.788 -5.233 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.295 -4.540 -6.455 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.076 -5.321 -5.468 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.051 -4.703 -8.040 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.226 -6.988 -6.595 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.921 -8.192 -7.851 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.359 -6.275 -9.584 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.482 -7.805 -9.474 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.304 -2.081 -3.612 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.670 -1.994 -3.098 1.00 1.50 C ATOM 1302 C HIS A 80 -6.249 -0.591 -3.339 1.00 1.44 C ATOM 1303 O HIS A 80 -7.307 -0.470 -3.953 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.684 -2.401 -1.613 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.097 -3.773 -1.357 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.383 -4.160 -0.243 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.169 -4.874 -2.180 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.037 -5.452 -0.389 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.491 -5.932 -1.558 1.00 1.74 N ATOM 0 H HIS A 80 -3.595 -2.048 -2.879 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.316 -2.688 -3.635 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.126 -1.663 -1.037 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.711 -2.380 -1.248 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.663 -4.916 -3.140 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.473 -6.023 0.333 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.367 -6.877 -1.921 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.534 0.481 -2.962 1.00 1.35 N ATOM 1319 CA TYR A 81 -5.992 1.872 -3.118 1.00 1.29 C ATOM 1320 C TYR A 81 -6.359 2.225 -4.566 1.00 1.32 C ATOM 1321 O TYR A 81 -7.364 2.901 -4.798 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.904 2.816 -2.578 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.294 4.287 -2.441 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.427 5.104 -3.586 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.469 4.856 -1.164 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.753 6.469 -3.454 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.722 6.236 -1.028 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.882 7.048 -2.172 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.191 8.366 -2.028 1.00 1.11 O ATOM 0 H TYR A 81 -4.611 0.406 -2.535 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.911 1.991 -2.544 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.590 2.452 -1.600 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.037 2.751 -3.236 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.278 4.680 -4.568 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.409 4.232 -0.285 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.905 7.074 -4.336 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.794 6.675 -0.044 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.757 8.653 -2.775 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.612 1.716 -5.559 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.826 2.022 -6.973 1.00 1.39 C ATOM 1341 C GLU A 82 -7.106 1.389 -7.540 1.00 1.50 C ATOM 1342 O GLU A 82 -7.475 1.669 -8.683 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.581 1.710 -7.820 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.345 0.226 -8.081 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.272 0.016 -9.164 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.596 0.200 -10.364 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.121 -0.356 -8.829 1.00 1.46 O ATOM 0 H GLU A 82 -4.836 1.075 -5.396 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.986 3.098 -7.034 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.671 2.224 -8.777 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.705 2.121 -7.319 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.035 -0.264 -7.158 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.278 -0.244 -8.393 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.790 0.553 -6.739 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.133 0.056 -7.067 1.00 1.64 C ATOM 1356 C ARG A 83 -10.185 0.325 -5.982 1.00 1.64 C ATOM 1357 O ARG A 83 -11.365 0.097 -6.238 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.082 -1.450 -7.399 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.229 -1.823 -8.619 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.765 -1.237 -9.935 1.00 1.81 C ATOM 1361 NE ARG A 83 -7.882 -1.585 -11.065 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.732 -1.006 -11.368 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.332 0.096 -10.809 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -5.928 -1.538 -12.241 1.00 1.82 N ATOM 0 H ARG A 83 -7.428 0.206 -5.851 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.453 0.622 -7.942 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.697 -1.984 -6.530 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.100 -1.803 -7.566 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.209 -1.473 -8.462 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.184 -2.909 -8.704 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.770 -1.615 -10.124 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.843 -0.153 -9.850 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.188 -2.346 -11.671 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -6.913 0.551 -10.105 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.437 0.507 -11.074 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.181 -2.412 -12.701 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.044 -1.081 -12.465 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.781 0.833 -4.813 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.666 0.905 -3.646 1.00 1.57 C ATOM 1380 C LEU A 84 -10.959 2.351 -3.209 1.00 1.51 C ATOM 1381 O LEU A 84 -11.847 2.570 -2.394 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.985 0.073 -2.545 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.802 -0.166 -1.274 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.102 -0.916 -1.543 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.977 -0.990 -0.289 1.00 1.61 C ATOM 0 H LEU A 84 -8.844 1.201 -4.650 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.651 0.502 -3.880 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.715 -0.896 -2.966 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.056 0.570 -2.266 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.051 0.815 -0.869 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.641 -1.058 -0.606 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.719 -0.340 -2.233 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.877 -1.888 -1.983 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.557 -1.161 0.618 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.720 -1.948 -0.742 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.064 -0.450 -0.038 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.246 3.337 -3.767 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.622 4.756 -3.614 1.00 1.41 C ATOM 1399 C ILE A 85 -10.057 5.669 -4.700 1.00 1.39 C ATOM 1400 O ILE A 85 -10.681 6.688 -4.973 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.316 5.282 -2.199 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.980 6.664 -1.986 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.813 5.328 -1.913 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.245 7.005 -0.519 1.00 1.33 C ATOM 0 H ILE A 85 -9.408 3.184 -4.327 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.703 4.785 -3.750 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.743 4.581 -1.482 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.340 7.434 -2.418 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.924 6.691 -2.531 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.646 5.705 -0.904 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.395 4.325 -1.999 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.326 5.987 -2.632 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.711 7.988 -0.452 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.910 6.258 -0.086 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.303 7.013 0.029 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.984 5.304 -5.408 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.566 6.014 -6.625 1.00 1.39 C ATOM 1418 C LEU A 86 -9.729 6.252 -7.628 1.00 1.49 C ATOM 1419 O LEU A 86 -9.826 7.368 -8.147 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.384 5.260 -7.253 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.790 5.876 -8.531 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.306 7.315 -8.321 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.607 5.047 -9.019 1.00 1.40 C ATOM 0 H LEU A 86 -8.385 4.517 -5.159 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.244 7.018 -6.348 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.591 5.184 -6.509 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.707 4.244 -7.480 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.593 5.882 -9.268 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.896 7.701 -9.254 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.143 7.938 -8.007 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.534 7.331 -7.552 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -5.197 5.495 -9.924 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.838 5.021 -8.247 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -5.939 4.032 -9.235 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.661 5.296 -7.869 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.853 5.558 -8.685 1.00 1.69 C ATOM 1437 C PRO A 87 -12.943 6.417 -8.007 1.00 1.71 C ATOM 1438 O PRO A 87 -13.805 6.927 -8.727 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.400 4.179 -9.073 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.941 3.278 -7.933 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.577 3.862 -7.583 1.00 1.59 C ATOM 0 HA PRO A 87 -11.563 6.162 -9.544 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.486 4.189 -9.163 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.004 3.846 -10.032 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.627 3.312 -7.087 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.869 2.235 -8.243 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.336 3.688 -6.534 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.790 3.393 -8.173 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.932 6.608 -6.675 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.984 7.365 -5.970 1.00 1.66 C ATOM 1451 C TYR A 88 -13.539 8.750 -5.464 1.00 1.59 C ATOM 1452 O TYR A 88 -14.340 9.678 -5.513 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.653 6.493 -4.888 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.036 5.964 -5.269 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.303 5.485 -6.571 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.069 5.952 -4.310 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.584 5.009 -6.908 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.356 5.484 -4.644 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.616 5.007 -5.946 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.853 4.545 -6.281 1.00 2.17 O ATOM 0 H TYR A 88 -12.202 6.246 -6.062 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.746 7.606 -6.711 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.002 5.647 -4.667 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.740 7.076 -3.971 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.518 5.484 -7.313 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.872 6.305 -3.309 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.777 4.644 -7.906 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.142 5.491 -3.904 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.448 4.611 -5.505 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.261 8.983 -5.130 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.748 10.355 -4.902 1.00 1.46 C ATOM 1472 C GLU A 89 -11.949 11.266 -6.139 1.00 1.53 C ATOM 1473 O GLU A 89 -11.926 12.491 -6.031 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.278 10.365 -4.430 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.244 9.939 -5.488 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.805 10.274 -5.047 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.229 9.542 -4.206 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.236 11.273 -5.558 1.00 1.29 O ATOM 0 H GLU A 89 -11.563 8.249 -5.011 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.346 10.770 -4.091 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.030 11.370 -4.088 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.186 9.703 -3.569 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.329 8.867 -5.669 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.461 10.440 -6.431 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.246 10.639 -7.288 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.686 11.346 -8.497 1.00 1.71 C ATOM 1487 C ARG A 90 -13.865 12.308 -8.264 1.00 1.78 C ATOM 1488 O ARG A 90 -13.873 13.379 -8.869 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.990 10.294 -9.582 1.00 1.78 C ATOM 1490 CG ARG A 90 -13.170 10.906 -10.977 1.00 1.89 C ATOM 1491 CD ARG A 90 -13.302 9.804 -12.034 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.431 10.369 -13.391 1.00 2.08 N ATOM 1493 CZ ARG A 90 -13.366 9.705 -14.532 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -13.189 8.414 -14.579 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.479 10.335 -15.667 1.00 2.25 N ATOM 0 H ARG A 90 -12.187 9.627 -7.403 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.880 12.001 -8.826 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -12.179 9.567 -9.612 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.895 9.751 -9.310 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.057 11.539 -10.991 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -12.319 11.544 -11.213 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.430 9.152 -11.992 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -14.173 9.187 -11.811 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.586 11.375 -13.455 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -13.095 7.880 -13.715 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -13.144 7.938 -15.480 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -13.618 11.345 -15.678 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.428 9.818 -16.545 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.816 12.006 -7.362 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.864 12.981 -6.991 1.00 1.84 C ATOM 1511 C PHE A 91 -15.347 14.100 -6.063 1.00 1.78 C ATOM 1512 O PHE A 91 -15.838 15.226 -6.131 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.131 12.301 -6.428 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.045 11.656 -5.050 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.973 12.446 -3.882 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.093 10.254 -4.923 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.847 11.838 -2.620 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.955 9.649 -3.663 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.800 10.440 -2.518 1.00 1.70 C ATOM 0 H PHE A 91 -14.883 11.109 -6.881 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.155 13.468 -7.922 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.925 13.047 -6.398 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.441 11.533 -7.137 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.015 13.523 -3.958 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.237 9.640 -5.800 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.786 12.447 -1.730 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.968 8.573 -3.577 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.644 9.974 -1.556 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.321 13.828 -5.246 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.747 14.840 -4.333 1.00 1.62 C ATOM 1531 C ILE A 92 -12.904 15.838 -5.137 1.00 1.64 C ATOM 1532 O ILE A 92 -12.983 17.049 -4.940 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.892 14.163 -3.229 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.697 13.075 -2.478 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.365 15.219 -2.237 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.899 12.268 -1.449 1.00 1.43 C ATOM 0 H ILE A 92 -13.867 12.916 -5.195 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.560 15.376 -3.842 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.045 13.677 -3.714 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.536 13.551 -1.971 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.117 12.386 -3.210 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.767 14.730 -1.468 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.749 15.943 -2.770 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.206 15.732 -1.771 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.551 11.533 -0.978 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.076 11.756 -1.947 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.501 12.940 -0.689 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.138 15.316 -6.097 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.157 16.100 -6.859 1.00 1.66 C ATOM 1550 C LYS A 93 -11.723 16.670 -8.169 1.00 1.78 C ATOM 1551 O LYS A 93 -11.046 17.433 -8.859 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.961 15.162 -7.080 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.650 15.890 -7.396 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.454 14.968 -7.132 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.445 13.745 -8.059 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.351 12.818 -7.694 1.00 1.41 N ATOM 0 H LYS A 93 -12.179 14.334 -6.371 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.860 16.992 -6.308 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.820 14.552 -6.187 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.193 14.480 -7.898 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.647 16.212 -8.437 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.568 16.788 -6.784 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.529 15.529 -7.266 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.477 14.634 -6.095 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.402 13.228 -7.996 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.325 14.068 -9.093 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.209 12.129 -8.460 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.474 13.357 -7.546 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.600 12.315 -6.818 1.00 1.41 H new ATOM 1570 N GLY A 94 -12.976 16.323 -8.475 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.669 16.795 -9.677 1.00 1.97 C ATOM 1572 C GLY A 94 -14.952 17.583 -9.389 1.00 2.05 C ATOM 1573 O GLY A 94 -15.398 18.325 -10.263 1.00 2.15 O ATOM 0 H GLY A 94 -13.541 15.704 -7.893 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -12.990 17.424 -10.252 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -13.915 15.937 -10.303 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.531 17.473 -8.183 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.810 18.120 -7.821 1.00 2.08 C ATOM 1579 C GLU A 95 -16.863 18.662 -6.375 1.00 2.02 C ATOM 1580 O GLU A 95 -17.942 18.869 -5.812 1.00 2.07 O ATOM 1581 CB GLU A 95 -17.999 17.171 -8.106 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.122 16.711 -9.566 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.413 15.901 -9.782 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.470 16.501 -10.105 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.383 14.653 -9.647 1.00 2.26 O ATOM 0 H GLU A 95 -15.124 16.929 -7.422 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.889 19.001 -8.459 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.904 16.291 -7.470 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.923 17.673 -7.819 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.118 17.578 -10.226 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.258 16.103 -9.834 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.703 18.937 -5.765 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.608 19.573 -4.437 1.00 1.90 C ATOM 1594 C GLU A 96 -14.320 20.398 -4.210 1.00 1.87 C ATOM 1595 O GLU A 96 -14.400 21.536 -3.744 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.774 18.510 -3.331 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.973 19.139 -1.947 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.292 18.066 -0.887 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.489 17.750 -0.679 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.352 17.549 -0.237 1.00 1.68 O ATOM 0 H GLU A 96 -14.795 18.724 -6.179 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.423 20.296 -4.392 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.628 17.875 -3.566 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.894 17.867 -3.313 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.073 19.682 -1.659 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.784 19.866 -1.988 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.159 19.825 -4.526 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.888 20.524 -4.317 1.00 1.78 C ATOM 1609 C ASP A 97 -10.717 19.731 -4.895 1.00 1.87 C ATOM 1610 O ASP A 97 -10.908 18.785 -5.651 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.670 20.757 -2.815 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.957 22.063 -2.521 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.578 23.132 -2.706 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.778 22.018 -2.112 1.00 2.20 O ATOM 0 H ASP A 97 -13.070 18.890 -4.923 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.935 21.482 -4.836 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.635 20.753 -2.307 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.090 19.931 -2.404 1.00 1.78 H new