USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN : amide:sc= -1.33 K(o=-2.7,f=-0.34) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -1.35 K(o=-2.7,f=-0.34) 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= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -164:sc= 1.07 (180deg=0.592) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.2,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0193 USER MOD Single : A 15 MET CE :methyl 153:sc= -1.73 (180deg=-2.39!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.186 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.06) USER MOD Single : A 37 THR OG1 : rot -2:sc= 0.169 USER MOD Single : A 38 MET CE :methyl 167:sc= -0.0081 (180deg=-0.259) USER MOD Single : A 40 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.037) USER MOD Single : A 43 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.561 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.612 USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= -0.03 (180deg=-0.301) USER MOD Single : A 77 THR OG1 : rot 17:sc= 0.306 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 81 TYR OH : rot 26:sc= 1.28 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.143 9.533 13.418 1.00 1.75 N ATOM 2 CA ARG A 1 -14.290 8.053 13.520 1.00 1.74 C ATOM 3 C ARG A 1 -15.620 7.539 12.961 1.00 1.77 C ATOM 4 O ARG A 1 -15.647 6.734 12.021 1.00 1.74 O ATOM 5 CB ARG A 1 -14.009 7.574 14.966 1.00 1.77 C ATOM 6 CG ARG A 1 -13.940 6.043 15.133 1.00 1.77 C ATOM 7 CD ARG A 1 -15.262 5.439 15.632 1.00 1.83 C ATOM 8 NE ARG A 1 -15.199 3.971 15.664 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.801 3.181 16.638 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.376 3.628 17.785 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.834 1.897 16.446 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.145 9.793 13.552 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.460 9.849 12.479 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.721 9.991 14.151 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.533 7.605 12.876 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.066 8.006 15.301 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.788 7.963 15.621 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.676 5.589 14.178 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.144 5.794 15.835 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.484 5.818 16.630 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.078 5.756 14.982 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.506 3.499 14.813 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.341 4.632 17.960 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.078 2.974 18.509 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.163 1.523 15.556 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.531 1.263 17.185 1.00 1.87 H new ATOM 27 N ALA A 2 -16.736 7.964 13.563 1.00 1.84 N ATOM 28 CA ALA A 2 -18.050 7.378 13.278 1.00 1.89 C ATOM 29 C ALA A 2 -18.531 7.616 11.838 1.00 1.88 C ATOM 30 O ALA A 2 -19.108 6.720 11.226 1.00 1.89 O ATOM 31 CB ALA A 2 -19.054 7.921 14.302 1.00 1.97 C ATOM 0 H ALA A 2 -16.755 8.715 14.253 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.964 6.295 13.367 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.039 7.496 14.107 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.733 7.646 15.307 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.105 9.007 14.221 1.00 1.97 H new ATOM 37 N ASP A 3 -18.247 8.791 11.273 1.00 1.87 N ATOM 38 CA ASP A 3 -18.625 9.112 9.892 1.00 1.88 C ATOM 39 C ASP A 3 -17.767 8.378 8.846 1.00 1.81 C ATOM 40 O ASP A 3 -18.289 8.001 7.798 1.00 1.82 O ATOM 41 CB ASP A 3 -18.528 10.631 9.699 1.00 1.90 C ATOM 42 CG ASP A 3 -19.108 11.086 8.350 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.342 10.961 8.151 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.345 11.613 7.505 1.00 1.89 O ATOM 0 H ASP A 3 -17.753 9.543 11.754 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.648 8.769 9.734 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.059 11.132 10.508 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.484 10.937 9.765 1.00 1.90 H new ATOM 49 N GLU A 4 -16.493 8.089 9.155 1.00 1.74 N ATOM 50 CA GLU A 4 -15.651 7.273 8.269 1.00 1.68 C ATOM 51 C GLU A 4 -16.179 5.839 8.257 1.00 1.69 C ATOM 52 O GLU A 4 -16.394 5.260 7.194 1.00 1.68 O ATOM 53 CB GLU A 4 -14.187 7.275 8.733 1.00 1.62 C ATOM 54 CG GLU A 4 -13.547 8.670 8.806 1.00 1.61 C ATOM 55 CD GLU A 4 -13.605 9.237 10.235 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.694 9.643 10.709 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.571 9.231 10.940 1.00 1.62 O ATOM 0 H GLU A 4 -16.027 8.406 10.005 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.690 7.700 7.267 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.130 6.810 9.717 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.602 6.655 8.053 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.510 8.614 8.476 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.063 9.345 8.123 1.00 1.61 H new ATOM 64 N GLN A 5 -16.485 5.291 9.441 1.00 1.72 N ATOM 65 CA GLN A 5 -17.093 3.964 9.520 1.00 1.75 C ATOM 66 C GLN A 5 -18.448 3.903 8.794 1.00 1.81 C ATOM 67 O GLN A 5 -18.651 3.015 7.967 1.00 1.81 O ATOM 68 CB GLN A 5 -17.190 3.460 10.965 1.00 1.78 C ATOM 69 CG GLN A 5 -15.801 3.102 11.535 1.00 1.73 C ATOM 70 CD GLN A 5 -15.860 1.908 12.483 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.802 2.034 13.700 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.982 0.702 11.970 1.00 1.77 N ATOM 0 H GLN A 5 -16.323 5.741 10.342 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.425 3.282 8.994 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.654 4.225 11.588 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.837 2.583 11.003 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.119 2.879 10.714 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.393 3.964 12.063 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.032 0.581 10.958 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.027 -0.111 12.584 1.00 1.77 H new ATOM 81 N ALA A 6 -19.339 4.878 8.998 1.00 1.86 N ATOM 82 CA ALA A 6 -20.601 4.967 8.261 1.00 1.92 C ATOM 83 C ALA A 6 -20.384 5.015 6.736 1.00 1.90 C ATOM 84 O ALA A 6 -20.975 4.214 6.002 1.00 1.92 O ATOM 85 CB ALA A 6 -21.387 6.184 8.765 1.00 1.98 C ATOM 0 H ALA A 6 -19.205 5.626 9.678 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.181 4.063 8.447 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.329 6.259 8.222 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.590 6.070 9.830 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.801 7.089 8.602 1.00 1.98 H new ATOM 91 N PHE A 7 -19.484 5.876 6.242 1.00 1.85 N ATOM 92 CA PHE A 7 -19.204 5.962 4.808 1.00 1.83 C ATOM 93 C PHE A 7 -18.367 4.791 4.268 1.00 1.77 C ATOM 94 O PHE A 7 -18.408 4.546 3.056 1.00 1.78 O ATOM 95 CB PHE A 7 -18.703 7.367 4.411 1.00 1.82 C ATOM 96 CG PHE A 7 -17.226 7.733 4.509 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.269 7.096 3.691 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.832 8.860 5.259 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.944 7.554 3.654 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.498 9.310 5.237 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.549 8.652 4.437 1.00 1.63 C ATOM 0 H PHE A 7 -18.940 6.520 6.816 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.154 5.836 4.288 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.005 7.533 3.377 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.251 8.085 5.021 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.559 6.248 3.088 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.562 9.384 5.858 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.223 7.060 3.020 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.205 10.160 5.835 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.523 8.988 4.424 1.00 1.63 H new ATOM 111 N LEU A 8 -17.723 3.983 5.133 1.00 1.73 N ATOM 112 CA LEU A 8 -17.085 2.758 4.624 1.00 1.69 C ATOM 113 C LEU A 8 -18.024 1.548 4.729 1.00 1.75 C ATOM 114 O LEU A 8 -17.793 0.551 4.053 1.00 1.73 O ATOM 115 CB LEU A 8 -15.749 2.516 5.355 1.00 1.63 C ATOM 116 CG LEU A 8 -14.507 2.583 4.453 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.402 1.319 3.607 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.431 3.830 3.567 1.00 1.55 C ATOM 0 H LEU A 8 -17.633 4.144 6.136 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.872 2.893 3.564 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.645 3.255 6.150 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.783 1.537 5.833 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.654 2.655 5.128 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.518 1.379 2.972 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.322 0.450 4.260 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.291 1.224 2.983 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.523 3.794 2.965 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.301 3.864 2.911 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.415 4.721 4.194 1.00 1.55 H new ATOM 130 N VAL A 9 -19.107 1.630 5.517 1.00 1.81 N ATOM 131 CA VAL A 9 -20.198 0.638 5.456 1.00 1.87 C ATOM 132 C VAL A 9 -21.036 0.883 4.192 1.00 1.92 C ATOM 133 O VAL A 9 -21.409 -0.066 3.494 1.00 1.94 O ATOM 134 CB VAL A 9 -21.058 0.670 6.738 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.369 -0.123 6.612 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.277 0.052 7.907 1.00 1.91 C ATOM 0 H VAL A 9 -19.253 2.370 6.203 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.771 -0.363 5.399 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.296 1.720 6.907 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.924 -0.059 7.548 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.970 0.294 5.804 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.143 -1.167 6.395 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.890 0.078 8.808 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.024 -0.981 7.670 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.362 0.620 8.074 1.00 1.91 H new ATOM 146 N ALA A 10 -21.252 2.152 3.831 1.00 1.93 N ATOM 147 CA ALA A 10 -21.840 2.507 2.540 1.00 1.97 C ATOM 148 C ALA A 10 -20.955 2.065 1.357 1.00 1.92 C ATOM 149 O ALA A 10 -21.466 1.439 0.420 1.00 1.96 O ATOM 150 CB ALA A 10 -22.104 4.018 2.519 1.00 1.99 C ATOM 0 H ALA A 10 -21.026 2.953 4.420 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.783 1.973 2.420 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.543 4.297 1.561 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.792 4.278 3.323 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.165 4.553 2.658 1.00 1.99 H new ATOM 156 N LEU A 11 -19.628 2.303 1.420 1.00 1.84 N ATOM 157 CA LEU A 11 -18.715 1.705 0.439 1.00 1.80 C ATOM 158 C LEU A 11 -18.764 0.181 0.478 1.00 1.80 C ATOM 159 O LEU A 11 -18.813 -0.410 -0.588 1.00 1.82 O ATOM 160 CB LEU A 11 -17.262 2.178 0.587 1.00 1.71 C ATOM 161 CG LEU A 11 -16.320 1.540 -0.469 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.664 1.898 -1.915 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.889 1.996 -0.232 1.00 1.59 C ATOM 0 H LEU A 11 -19.179 2.890 2.123 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.073 2.053 -0.530 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.225 3.263 0.494 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.903 1.931 1.586 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.444 0.464 -0.344 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.958 1.412 -2.588 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.675 1.559 -2.143 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.605 2.978 -2.046 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.235 1.544 -0.977 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.835 3.082 -0.313 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.570 1.690 0.764 1.00 1.59 H new ATOM 175 N TYR A 12 -18.776 -0.474 1.642 1.00 1.80 N ATOM 176 CA TYR A 12 -18.846 -1.936 1.728 1.00 1.81 C ATOM 177 C TYR A 12 -20.035 -2.493 0.940 1.00 1.89 C ATOM 178 O TYR A 12 -19.850 -3.416 0.144 1.00 1.89 O ATOM 179 CB TYR A 12 -18.879 -2.407 3.189 1.00 1.82 C ATOM 180 CG TYR A 12 -19.277 -3.862 3.372 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.528 -4.886 2.762 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.441 -4.183 4.102 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.944 -6.228 2.869 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.853 -5.524 4.221 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.109 -6.551 3.600 1.00 1.96 C ATOM 186 OH TYR A 12 -20.516 -7.846 3.696 1.00 2.02 O ATOM 0 H TYR A 12 -18.738 -0.008 2.549 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.939 -2.331 1.271 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.894 -2.255 3.629 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.576 -1.780 3.744 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.632 -4.642 2.210 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.017 -3.399 4.570 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.372 -7.010 2.392 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.739 -5.768 4.788 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.333 -7.893 4.234 1.00 2.02 H new ATOM 196 N LYS A 13 -21.223 -1.885 1.078 1.00 1.95 N ATOM 197 CA LYS A 13 -22.372 -2.235 0.233 1.00 2.03 C ATOM 198 C LYS A 13 -22.084 -1.977 -1.247 1.00 2.02 C ATOM 199 O LYS A 13 -22.158 -2.926 -2.034 1.00 2.05 O ATOM 200 CB LYS A 13 -23.633 -1.518 0.747 1.00 2.10 C ATOM 201 CG LYS A 13 -24.899 -1.980 0.006 1.00 2.18 C ATOM 202 CD LYS A 13 -26.180 -1.296 0.512 1.00 2.25 C ATOM 203 CE LYS A 13 -26.524 -1.693 1.954 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.810 -1.090 2.395 1.00 2.34 N ATOM 0 H LYS A 13 -21.412 -1.153 1.763 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.558 -3.307 0.304 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.748 -1.707 1.814 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.514 -0.441 0.625 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.783 -1.778 -1.059 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.003 -3.059 0.116 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.058 -0.214 0.455 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.011 -1.558 -0.142 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.586 -2.779 2.028 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.724 -1.373 2.621 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.011 -1.379 3.374 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.742 -0.053 2.347 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.577 -1.415 1.773 1.00 2.34 H new ATOM 218 N TYR A 14 -21.696 -0.758 -1.644 1.00 2.00 N ATOM 219 CA TYR A 14 -21.371 -0.508 -3.056 1.00 2.00 C ATOM 220 C TYR A 14 -20.277 -1.410 -3.658 1.00 1.95 C ATOM 221 O TYR A 14 -20.428 -1.878 -4.785 1.00 1.99 O ATOM 222 CB TYR A 14 -20.992 0.973 -3.195 1.00 1.98 C ATOM 223 CG TYR A 14 -20.910 1.458 -4.629 1.00 2.01 C ATOM 224 CD1 TYR A 14 -22.093 1.780 -5.323 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.661 1.580 -5.274 1.00 1.96 C ATOM 226 CE1 TYR A 14 -22.035 2.219 -6.658 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.600 2.011 -6.614 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.789 2.331 -7.309 1.00 2.09 C ATOM 229 OH TYR A 14 -20.726 2.714 -8.615 1.00 2.13 O ATOM 0 H TYR A 14 -21.601 0.050 -1.029 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.260 -0.761 -3.634 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.725 1.577 -2.660 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -20.029 1.138 -2.711 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -23.048 1.689 -4.828 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.752 1.343 -4.741 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.944 2.470 -7.184 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.645 2.097 -7.110 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.790 2.740 -8.904 1.00 2.13 H new ATOM 239 N MET A 15 -19.198 -1.702 -2.928 1.00 1.88 N ATOM 240 CA MET A 15 -18.092 -2.519 -3.425 1.00 1.83 C ATOM 241 C MET A 15 -18.450 -4.012 -3.450 1.00 1.86 C ATOM 242 O MET A 15 -18.022 -4.720 -4.362 1.00 1.86 O ATOM 243 CB MET A 15 -16.771 -2.185 -2.722 1.00 1.74 C ATOM 244 CG MET A 15 -16.623 -2.715 -1.297 1.00 1.72 C ATOM 245 SD MET A 15 -15.221 -2.028 -0.366 1.00 1.62 S ATOM 246 CE MET A 15 -13.845 -2.243 -1.532 1.00 1.57 C ATOM 0 H MET A 15 -19.068 -1.376 -1.970 1.00 1.88 H new ATOM 0 HA MET A 15 -17.921 -2.258 -4.469 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.952 -2.580 -3.323 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.657 -1.101 -2.700 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.542 -2.505 -0.750 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.517 -3.799 -1.337 1.00 1.72 H new ATOM 0 HE1 MET A 15 -13.083 -1.487 -1.339 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.412 -3.235 -1.405 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.213 -2.136 -2.552 1.00 1.57 H new ATOM 256 N LYS A 16 -19.313 -4.496 -2.536 1.00 1.90 N ATOM 257 CA LYS A 16 -19.899 -5.842 -2.651 1.00 1.96 C ATOM 258 C LYS A 16 -20.795 -5.954 -3.895 1.00 2.03 C ATOM 259 O LYS A 16 -20.711 -6.942 -4.622 1.00 2.05 O ATOM 260 CB LYS A 16 -20.633 -6.187 -1.345 1.00 1.99 C ATOM 261 CG LYS A 16 -21.136 -7.637 -1.326 1.00 2.05 C ATOM 262 CD LYS A 16 -21.380 -8.110 0.113 1.00 2.07 C ATOM 263 CE LYS A 16 -21.931 -9.540 0.114 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.853 -10.142 1.468 1.00 2.15 N ATOM 0 H LYS A 16 -19.618 -3.976 -1.713 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.108 -6.579 -2.792 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.963 -6.026 -0.501 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.477 -5.510 -1.215 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.059 -7.714 -1.900 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.405 -8.287 -1.808 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.449 -8.071 0.679 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.083 -7.441 0.609 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.967 -9.534 -0.226 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.368 -10.151 -0.592 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.185 -11.127 1.430 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.868 -10.121 1.801 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.451 -9.600 2.124 1.00 2.15 H new ATOM 278 N GLU A 17 -21.540 -4.893 -4.213 1.00 2.07 N ATOM 279 CA GLU A 17 -22.266 -4.778 -5.497 1.00 2.13 C ATOM 280 C GLU A 17 -21.336 -4.544 -6.723 1.00 2.10 C ATOM 281 O GLU A 17 -21.807 -4.455 -7.859 1.00 2.16 O ATOM 282 CB GLU A 17 -23.327 -3.669 -5.347 1.00 2.18 C ATOM 283 CG GLU A 17 -24.488 -3.774 -6.346 1.00 2.27 C ATOM 284 CD GLU A 17 -25.602 -2.763 -6.008 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.561 -1.614 -6.512 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.538 -3.114 -5.249 1.00 2.37 O ATOM 0 H GLU A 17 -21.662 -4.089 -3.597 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.748 -5.732 -5.711 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.729 -3.700 -4.334 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.844 -2.700 -5.468 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -24.121 -3.592 -7.356 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.894 -4.786 -6.332 1.00 2.27 H new ATOM 293 N ARG A 18 -20.011 -4.467 -6.505 1.00 2.02 N ATOM 294 CA ARG A 18 -19.006 -4.372 -7.589 1.00 1.99 C ATOM 295 C ARG A 18 -18.021 -5.559 -7.584 1.00 1.95 C ATOM 296 O ARG A 18 -16.932 -5.471 -8.156 1.00 1.90 O ATOM 297 CB ARG A 18 -18.323 -2.979 -7.576 1.00 1.94 C ATOM 298 CG ARG A 18 -19.033 -1.941 -8.465 1.00 2.01 C ATOM 299 CD ARG A 18 -20.299 -1.336 -7.851 1.00 2.06 C ATOM 300 NE ARG A 18 -21.060 -0.562 -8.850 1.00 2.13 N ATOM 301 CZ ARG A 18 -22.036 -1.007 -9.626 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.464 -2.239 -9.593 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.604 -0.202 -10.476 1.00 2.28 N ATOM 0 H ARG A 18 -19.602 -4.469 -5.571 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.521 -4.455 -8.546 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.291 -2.608 -6.552 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.291 -3.086 -7.909 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.334 -1.136 -8.690 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.294 -2.411 -9.413 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.927 -2.131 -7.448 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -20.028 -0.690 -7.016 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.807 0.421 -8.954 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -22.043 -2.908 -8.948 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.220 -2.533 -10.212 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.297 0.768 -10.543 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.356 -0.541 -11.075 1.00 2.28 H new ATOM 317 N LYS A 19 -18.403 -6.685 -6.959 1.00 1.97 N ATOM 318 CA LYS A 19 -17.663 -7.968 -6.896 1.00 1.95 C ATOM 319 C LYS A 19 -16.318 -7.828 -6.172 1.00 1.86 C ATOM 320 O LYS A 19 -15.410 -8.647 -6.343 1.00 1.84 O ATOM 321 CB LYS A 19 -17.549 -8.613 -8.297 1.00 1.99 C ATOM 322 CG LYS A 19 -18.913 -8.811 -8.980 1.00 2.09 C ATOM 323 CD LYS A 19 -18.755 -9.475 -10.354 1.00 2.13 C ATOM 324 CE LYS A 19 -20.123 -9.625 -11.030 1.00 2.22 C ATOM 325 NZ LYS A 19 -20.005 -10.241 -12.377 1.00 2.27 N ATOM 0 H LYS A 19 -19.287 -6.733 -6.453 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.242 -8.660 -6.285 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.920 -7.987 -8.929 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -17.050 -9.578 -8.207 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.553 -9.426 -8.348 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.409 -7.847 -9.094 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -18.095 -8.876 -10.982 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.287 -10.453 -10.242 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.773 -10.238 -10.405 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.595 -8.646 -11.117 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.950 -10.327 -12.804 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.405 -9.643 -12.981 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.577 -11.185 -12.291 1.00 2.27 H new ATOM 339 N THR A 20 -16.221 -6.793 -5.334 1.00 1.82 N ATOM 340 CA THR A 20 -14.987 -6.460 -4.621 1.00 1.73 C ATOM 341 C THR A 20 -15.278 -6.121 -3.148 1.00 1.72 C ATOM 342 O THR A 20 -14.958 -5.022 -2.704 1.00 1.68 O ATOM 343 CB THR A 20 -14.206 -5.337 -5.350 1.00 1.69 C ATOM 344 OG1 THR A 20 -14.136 -5.576 -6.742 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.747 -5.224 -4.894 1.00 1.61 C ATOM 0 H THR A 20 -16.997 -6.162 -5.131 1.00 1.82 H new ATOM 0 HA THR A 20 -14.341 -7.338 -4.620 1.00 1.73 H new ATOM 0 HB THR A 20 -14.758 -4.428 -5.110 1.00 1.69 H new ATOM 0 HG1 THR A 20 -15.023 -5.454 -7.140 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.256 -4.420 -5.442 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.715 -5.008 -3.826 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.231 -6.164 -5.089 1.00 1.61 H new ATOM 353 N PRO A 21 -15.942 -7.003 -2.369 1.00 1.76 N ATOM 354 CA PRO A 21 -16.276 -6.736 -0.965 1.00 1.76 C ATOM 355 C PRO A 21 -15.031 -6.645 -0.064 1.00 1.69 C ATOM 356 O PRO A 21 -13.986 -7.221 -0.366 1.00 1.66 O ATOM 357 CB PRO A 21 -17.173 -7.906 -0.544 1.00 1.84 C ATOM 358 CG PRO A 21 -16.691 -9.058 -1.421 1.00 1.85 C ATOM 359 CD PRO A 21 -16.362 -8.352 -2.734 1.00 1.82 C ATOM 0 HA PRO A 21 -16.768 -5.769 -0.859 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.063 -8.135 0.516 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.227 -7.685 -0.714 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.818 -9.555 -0.997 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.460 -9.820 -1.550 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.571 -8.875 -3.271 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.231 -8.326 -3.392 1.00 1.82 H new ATOM 367 N ILE A 22 -15.169 -6.017 1.109 1.00 1.68 N ATOM 368 CA ILE A 22 -14.124 -6.070 2.165 1.00 1.64 C ATOM 369 C ILE A 22 -13.859 -7.530 2.617 1.00 1.67 C ATOM 370 O ILE A 22 -12.770 -7.874 3.066 1.00 1.64 O ATOM 371 CB ILE A 22 -14.510 -5.106 3.320 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.520 -3.657 2.789 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.561 -5.230 4.529 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.963 -2.592 3.799 1.00 1.62 C ATOM 0 H ILE A 22 -15.988 -5.464 1.361 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.170 -5.722 1.768 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.504 -5.382 3.672 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.518 -3.409 2.440 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.180 -3.609 1.923 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.873 -4.536 5.309 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.595 -6.249 4.915 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.543 -4.993 4.219 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.935 -1.610 3.328 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.979 -2.806 4.132 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.291 -2.602 4.657 1.00 1.62 H new ATOM 386 N GLU A 23 -14.848 -8.400 2.388 1.00 1.74 N ATOM 387 CA GLU A 23 -14.686 -9.863 2.520 1.00 1.78 C ATOM 388 C GLU A 23 -13.521 -10.479 1.692 1.00 1.75 C ATOM 389 O GLU A 23 -13.133 -11.618 1.969 1.00 1.78 O ATOM 390 CB GLU A 23 -16.007 -10.585 2.206 1.00 1.87 C ATOM 391 CG GLU A 23 -17.144 -10.186 3.155 1.00 1.91 C ATOM 392 CD GLU A 23 -18.399 -11.037 2.895 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.191 -10.688 1.988 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.605 -12.059 3.595 1.00 2.06 O ATOM 0 H GLU A 23 -15.786 -8.116 2.106 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.408 -10.020 3.562 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.302 -10.363 1.180 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.850 -11.662 2.267 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.822 -10.312 4.189 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.381 -9.131 3.022 1.00 1.91 H new ATOM 401 N ARG A 24 -12.910 -9.748 0.735 1.00 1.69 N ATOM 402 CA ARG A 24 -11.667 -10.136 0.019 1.00 1.65 C ATOM 403 C ARG A 24 -10.450 -9.238 0.332 1.00 1.57 C ATOM 404 O ARG A 24 -9.420 -9.334 -0.340 1.00 1.53 O ATOM 405 CB ARG A 24 -11.943 -10.324 -1.492 1.00 1.67 C ATOM 406 CG ARG A 24 -11.858 -9.052 -2.362 1.00 1.62 C ATOM 407 CD ARG A 24 -12.431 -9.266 -3.773 1.00 1.67 C ATOM 408 NE ARG A 24 -11.648 -10.235 -4.564 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.930 -10.680 -5.779 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.984 -10.305 -6.450 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.132 -11.530 -6.359 1.00 1.72 N ATOM 0 H ARG A 24 -13.275 -8.846 0.428 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.362 -11.106 0.412 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.234 -11.054 -1.882 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.938 -10.753 -1.608 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.400 -8.243 -1.872 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.817 -8.737 -2.440 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.460 -9.615 -3.694 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.458 -8.311 -4.299 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.801 -10.600 -4.129 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.638 -9.638 -6.041 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.154 -10.679 -7.384 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.292 -11.851 -5.878 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.347 -11.874 -7.295 1.00 1.72 H new ATOM 425 N ILE A 25 -10.548 -8.396 1.363 1.00 1.55 N ATOM 426 CA ILE A 25 -9.546 -7.413 1.812 1.00 1.48 C ATOM 427 C ILE A 25 -9.308 -7.612 3.331 1.00 1.49 C ATOM 428 O ILE A 25 -9.829 -6.855 4.157 1.00 1.50 O ATOM 429 CB ILE A 25 -9.973 -5.964 1.451 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.505 -5.818 0.003 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.756 -5.041 1.653 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.022 -4.414 -0.334 1.00 1.45 C ATOM 0 H ILE A 25 -11.383 -8.377 1.949 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.603 -7.575 1.291 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.800 -5.689 2.106 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.708 -6.077 -0.694 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.310 -6.537 -0.152 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.032 -4.016 1.405 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.432 -5.088 2.693 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.942 -5.365 1.004 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.376 -4.394 -1.365 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.842 -4.158 0.337 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.215 -3.691 -0.214 1.00 1.45 H new ATOM 444 N PRO A 26 -8.733 -8.763 3.743 1.00 1.53 N ATOM 445 CA PRO A 26 -8.625 -9.132 5.177 1.00 1.57 C ATOM 446 C PRO A 26 -7.742 -8.311 6.121 1.00 1.52 C ATOM 447 O PRO A 26 -8.088 -8.203 7.300 1.00 1.50 O ATOM 448 CB PRO A 26 -8.123 -10.576 5.130 1.00 1.62 C ATOM 449 CG PRO A 26 -7.411 -10.684 3.831 1.00 1.59 C ATOM 450 CD PRO A 26 -8.185 -9.822 2.873 1.00 1.55 C ATOM 0 HA PRO A 26 -9.602 -8.945 5.623 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.457 -10.792 5.966 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -8.949 -11.285 5.189 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.380 -10.343 3.920 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.376 -11.718 3.488 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.544 -9.411 2.093 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.975 -10.383 2.374 1.00 1.55 H new ATOM 458 N TYR A 27 -6.632 -7.731 5.681 1.00 1.52 N ATOM 459 CA TYR A 27 -5.776 -7.038 6.650 1.00 1.49 C ATOM 460 C TYR A 27 -5.129 -5.739 6.160 1.00 1.38 C ATOM 461 O TYR A 27 -5.456 -5.182 5.112 1.00 1.34 O ATOM 462 CB TYR A 27 -4.630 -7.979 7.072 1.00 1.61 C ATOM 463 CG TYR A 27 -5.040 -9.297 7.705 1.00 1.65 C ATOM 464 CD1 TYR A 27 -5.452 -9.357 9.030 1.00 1.91 C ATOM 465 CD2 TYR A 27 -4.984 -10.484 6.979 1.00 1.76 C ATOM 466 CE1 TYR A 27 -5.800 -10.563 9.614 1.00 2.21 C ATOM 467 CE2 TYR A 27 -5.335 -11.691 7.556 1.00 2.09 C ATOM 468 CZ TYR A 27 -5.742 -11.724 8.872 1.00 2.29 C ATOM 469 OH TYR A 27 -6.087 -12.924 9.453 1.00 2.75 O ATOM 0 H TYR A 27 -6.310 -7.721 4.713 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.447 -6.767 7.465 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.024 -8.196 6.192 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -3.991 -7.446 7.776 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -5.502 -8.449 9.613 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -4.661 -10.462 5.949 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -6.116 -10.594 10.646 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.290 -12.602 6.978 1.00 2.09 H new ATOM 0 HH TYR A 27 -5.993 -13.645 8.796 1.00 2.75 H new ATOM 479 N LEU A 28 -4.212 -5.287 7.020 1.00 1.39 N ATOM 480 CA LEU A 28 -3.332 -4.137 6.824 1.00 1.35 C ATOM 481 C LEU A 28 -1.928 -4.706 6.986 1.00 1.35 C ATOM 482 O LEU A 28 -1.802 -5.817 7.508 1.00 1.38 O ATOM 483 CB LEU A 28 -3.585 -3.039 7.863 1.00 1.42 C ATOM 484 CG LEU A 28 -3.672 -1.603 7.339 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.844 -0.640 8.503 1.00 1.58 C ATOM 486 CD2 LEU A 28 -2.435 -1.233 6.535 1.00 1.77 C ATOM 0 H LEU A 28 -4.057 -5.740 7.921 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.495 -3.668 5.854 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.516 -3.269 8.381 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.788 -3.083 8.605 1.00 1.42 H new ATOM 0 HG LEU A 28 -4.536 -1.533 6.678 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.905 0.380 8.125 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.759 -0.882 9.044 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -2.991 -0.727 9.176 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -2.527 -0.208 6.177 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -1.551 -1.318 7.167 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.339 -1.907 5.684 1.00 1.77 H new ATOM 583 N ASN A 34 -8.538 -1.365 9.275 1.00 1.56 N ATOM 584 CA ASN A 34 -8.667 -0.003 9.829 1.00 1.58 C ATOM 585 C ASN A 34 -8.499 1.079 8.752 1.00 1.57 C ATOM 586 O ASN A 34 -7.437 1.692 8.612 1.00 1.91 O ATOM 587 CB ASN A 34 -7.673 0.181 10.974 1.00 1.60 C ATOM 588 CG ASN A 34 -8.035 -0.683 12.168 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.167 -1.234 12.845 1.00 2.14 O ATOM 590 ND2 ASN A 34 -9.335 -0.803 12.430 1.00 2.10 N ATOM 0 HA ASN A 34 -9.678 0.114 10.219 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.670 -0.072 10.631 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -7.652 1.229 11.274 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -9.646 -1.370 13.219 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -10.020 -0.328 11.842 1.00 2.10 H new ATOM 597 N LEU A 35 -9.574 1.304 8.009 1.00 1.38 N ATOM 598 CA LEU A 35 -9.587 2.258 6.903 1.00 1.34 C ATOM 599 C LEU A 35 -9.397 3.713 7.345 1.00 1.32 C ATOM 600 O LEU A 35 -8.503 4.395 6.847 1.00 1.28 O ATOM 601 CB LEU A 35 -10.905 2.110 6.143 1.00 1.40 C ATOM 602 CG LEU A 35 -10.927 2.672 4.716 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.146 4.173 4.735 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.643 2.335 3.968 1.00 1.52 C ATOM 0 H LEU A 35 -10.465 0.830 8.155 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.736 2.025 6.263 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.159 1.051 6.099 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.690 2.602 6.718 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.758 2.203 4.189 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.158 4.552 3.713 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.098 4.396 5.216 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.339 4.651 5.290 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.690 2.747 2.960 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.791 2.764 4.496 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.528 1.253 3.912 1.00 1.52 H new ATOM 616 N TRP A 36 -10.246 4.183 8.259 1.00 1.37 N ATOM 617 CA TRP A 36 -10.186 5.568 8.737 1.00 1.37 C ATOM 618 C TRP A 36 -8.782 5.957 9.240 1.00 1.32 C ATOM 619 O TRP A 36 -8.378 7.113 9.121 1.00 1.31 O ATOM 620 CB TRP A 36 -11.225 5.807 9.844 1.00 1.45 C ATOM 621 CG TRP A 36 -11.266 4.747 10.906 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.846 3.514 10.812 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.732 4.837 12.235 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.689 2.826 11.990 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.010 3.618 12.880 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.037 5.827 12.936 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.621 3.365 14.194 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.654 5.575 14.241 1.00 1.61 C ATOM 629 CH2 TRP A 36 -9.945 4.351 14.857 1.00 1.66 C ATOM 0 H TRP A 36 -10.986 3.625 8.685 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.416 6.204 7.882 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.018 6.767 10.316 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.212 5.883 9.387 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.354 3.135 9.938 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.023 1.880 12.173 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.803 6.771 12.467 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.846 2.423 14.672 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.122 6.335 14.794 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.629 4.183 15.876 1.00 1.66 H new ATOM 640 N THR A 37 -8.051 4.989 9.797 1.00 1.32 N ATOM 641 CA THR A 37 -6.694 5.219 10.330 1.00 1.29 C ATOM 642 C THR A 37 -5.648 5.370 9.222 1.00 1.23 C ATOM 643 O THR A 37 -4.907 6.352 9.238 1.00 1.21 O ATOM 644 CB THR A 37 -6.267 4.100 11.294 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.161 4.034 12.383 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.882 4.324 11.905 1.00 1.35 C ATOM 0 H THR A 37 -8.375 4.027 9.894 1.00 1.32 H new ATOM 0 HA THR A 37 -6.744 6.160 10.878 1.00 1.29 H new ATOM 0 HB THR A 37 -6.260 3.189 10.695 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.835 4.740 12.296 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.642 3.498 12.575 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.138 4.374 11.110 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.878 5.259 12.465 1.00 1.35 H new ATOM 654 N MET A 38 -5.583 4.469 8.230 1.00 1.20 N ATOM 655 CA MET A 38 -4.667 4.667 7.087 1.00 1.15 C ATOM 656 C MET A 38 -5.021 5.922 6.268 1.00 1.13 C ATOM 657 O MET A 38 -4.130 6.577 5.729 1.00 1.11 O ATOM 658 CB MET A 38 -4.546 3.424 6.187 1.00 1.14 C ATOM 659 CG MET A 38 -5.856 2.949 5.554 1.00 1.17 C ATOM 660 SD MET A 38 -5.648 2.008 4.018 1.00 1.17 S ATOM 661 CE MET A 38 -6.503 0.460 4.419 1.00 1.25 C ATOM 0 H MET A 38 -6.138 3.614 8.191 1.00 1.20 H new ATOM 0 HA MET A 38 -3.682 4.828 7.525 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.833 3.639 5.391 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.129 2.608 6.776 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.390 2.331 6.275 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.483 3.817 5.352 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.658 -0.117 3.507 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.898 -0.119 5.117 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.467 0.684 4.874 1.00 1.25 H new ATOM 671 N PHE A 39 -6.307 6.291 6.236 1.00 1.17 N ATOM 672 CA PHE A 39 -6.752 7.550 5.646 1.00 1.19 C ATOM 673 C PHE A 39 -6.205 8.767 6.391 1.00 1.20 C ATOM 674 O PHE A 39 -5.458 9.542 5.798 1.00 1.20 O ATOM 675 CB PHE A 39 -8.277 7.600 5.551 1.00 1.25 C ATOM 676 CG PHE A 39 -8.776 8.916 4.975 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.482 9.251 3.639 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.489 9.821 5.783 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.911 10.478 3.107 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.905 11.057 5.254 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.614 11.386 3.919 1.00 1.44 C ATOM 0 H PHE A 39 -7.063 5.724 6.619 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.344 7.591 4.636 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.627 6.777 4.928 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.706 7.454 6.542 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.925 8.562 3.022 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.717 9.567 6.808 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.701 10.724 2.076 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.449 11.754 5.875 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.930 12.337 3.516 1.00 1.44 H new ATOM 691 N GLN A 40 -6.504 8.941 7.688 1.00 1.24 N ATOM 692 CA GLN A 40 -5.980 10.113 8.414 1.00 1.27 C ATOM 693 C GLN A 40 -4.439 10.126 8.495 1.00 1.25 C ATOM 694 O GLN A 40 -3.839 11.202 8.494 1.00 1.28 O ATOM 695 CB GLN A 40 -6.654 10.245 9.793 1.00 1.33 C ATOM 696 CG GLN A 40 -6.171 9.201 10.808 1.00 1.33 C ATOM 697 CD GLN A 40 -7.113 9.070 11.998 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.886 9.595 13.079 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.200 8.347 11.838 1.00 1.40 N ATOM 0 H GLN A 40 -7.085 8.311 8.241 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.241 11.000 7.837 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.462 11.242 10.189 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.733 10.152 9.672 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.077 8.234 10.314 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.178 9.475 11.163 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.392 7.908 10.938 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.851 8.226 12.614 1.00 1.40 H new ATOM 708 N ALA A 41 -3.788 8.956 8.473 1.00 1.21 N ATOM 709 CA ALA A 41 -2.340 8.845 8.318 1.00 1.20 C ATOM 710 C ALA A 41 -1.870 9.390 6.959 1.00 1.18 C ATOM 711 O ALA A 41 -1.031 10.287 6.922 1.00 1.21 O ATOM 712 CB ALA A 41 -1.921 7.386 8.518 1.00 1.18 C ATOM 0 H ALA A 41 -4.259 8.056 8.563 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.856 9.459 9.078 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.841 7.299 8.403 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.207 7.059 9.518 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.417 6.760 7.776 1.00 1.18 H new ATOM 718 N ALA A 42 -2.449 8.936 5.844 1.00 1.14 N ATOM 719 CA ALA A 42 -2.149 9.470 4.516 1.00 1.14 C ATOM 720 C ALA A 42 -2.398 10.983 4.418 1.00 1.20 C ATOM 721 O ALA A 42 -1.595 11.692 3.825 1.00 1.23 O ATOM 722 CB ALA A 42 -2.955 8.700 3.461 1.00 1.11 C ATOM 0 H ALA A 42 -3.140 8.186 5.839 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.084 9.329 4.329 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.732 9.098 2.471 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.686 7.644 3.497 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.020 8.811 3.665 1.00 1.11 H new ATOM 728 N GLN A 43 -3.458 11.493 5.056 1.00 1.23 N ATOM 729 CA GLN A 43 -3.770 12.927 5.047 1.00 1.31 C ATOM 730 C GLN A 43 -2.752 13.757 5.858 1.00 1.35 C ATOM 731 O GLN A 43 -2.539 14.933 5.552 1.00 1.42 O ATOM 732 CB GLN A 43 -5.208 13.176 5.533 1.00 1.35 C ATOM 733 CG GLN A 43 -6.291 12.602 4.595 1.00 1.35 C ATOM 734 CD GLN A 43 -6.202 13.111 3.154 1.00 1.38 C ATOM 735 OE1 GLN A 43 -6.085 14.299 2.883 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.231 12.234 2.171 1.00 1.35 N ATOM 0 H GLN A 43 -4.119 10.928 5.589 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.693 13.265 4.014 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.328 12.736 6.523 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.365 14.249 5.640 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.214 11.515 4.591 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.273 12.850 4.997 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.328 11.240 2.377 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -6.157 12.549 1.204 1.00 1.35 H new ATOM 745 N LYS A 44 -2.070 13.131 6.828 1.00 1.33 N ATOM 746 CA LYS A 44 -0.947 13.763 7.540 1.00 1.39 C ATOM 747 C LYS A 44 0.329 13.709 6.701 1.00 1.39 C ATOM 748 O LYS A 44 0.991 14.730 6.515 1.00 1.45 O ATOM 749 CB LYS A 44 -0.778 13.072 8.904 1.00 1.39 C ATOM 750 CG LYS A 44 0.198 13.822 9.821 1.00 1.47 C ATOM 751 CD LYS A 44 0.465 13.076 11.136 1.00 1.49 C ATOM 752 CE LYS A 44 -0.821 12.771 11.915 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.514 12.203 13.251 1.00 1.53 N ATOM 0 H LYS A 44 -2.277 12.182 7.140 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.157 14.819 7.709 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.749 12.998 9.394 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.420 12.054 8.751 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.141 13.973 9.296 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.205 14.810 10.044 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.984 12.142 10.920 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.130 13.674 11.760 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.405 13.684 12.030 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.434 12.069 11.350 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.401 12.006 13.757 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.023 11.320 13.138 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 0.051 12.885 13.796 1.00 1.53 H new ATOM 767 N LEU A 45 0.611 12.537 6.128 1.00 1.32 N ATOM 768 CA LEU A 45 1.719 12.359 5.179 1.00 1.32 C ATOM 769 C LEU A 45 1.470 12.990 3.769 1.00 1.34 C ATOM 770 O LEU A 45 2.242 12.725 2.845 1.00 1.34 O ATOM 771 CB LEU A 45 2.139 10.858 5.156 1.00 1.27 C ATOM 772 CG LEU A 45 2.888 10.251 6.383 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.014 11.159 6.881 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.997 9.919 7.578 1.00 1.29 C ATOM 0 H LEU A 45 0.081 11.684 6.306 1.00 1.32 H new ATOM 0 HA LEU A 45 2.570 12.939 5.536 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.236 10.268 5.000 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.771 10.709 4.281 1.00 1.27 H new ATOM 0 HG LEU A 45 3.288 9.316 5.990 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.505 10.694 7.736 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.740 11.309 6.082 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.600 12.122 7.180 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.605 9.503 8.381 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.505 10.826 7.928 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.244 9.190 7.279 1.00 1.29 H new ATOM 786 N GLY A 46 0.441 13.843 3.601 1.00 1.36 N ATOM 787 CA GLY A 46 0.312 14.685 2.380 1.00 1.42 C ATOM 788 C GLY A 46 -0.723 14.252 1.322 1.00 1.40 C ATOM 789 O GLY A 46 -0.597 14.580 0.139 1.00 1.44 O ATOM 0 H GLY A 46 -0.308 13.972 4.282 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.066 15.699 2.695 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.288 14.729 1.897 1.00 1.42 H new ATOM 793 N GLY A 47 -1.735 13.514 1.772 1.00 1.34 N ATOM 794 CA GLY A 47 -2.692 12.832 0.904 1.00 1.32 C ATOM 795 C GLY A 47 -2.056 11.800 -0.030 1.00 1.28 C ATOM 796 O GLY A 47 -0.832 11.695 -0.158 1.00 1.27 O ATOM 0 H GLY A 47 -1.916 13.371 2.766 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.439 12.336 1.523 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -3.217 13.575 0.304 1.00 1.32 H new ATOM 800 N TYR A 48 -2.910 11.063 -0.744 1.00 1.27 N ATOM 801 CA TYR A 48 -2.463 10.166 -1.819 1.00 1.26 C ATOM 802 C TYR A 48 -1.570 10.855 -2.875 1.00 1.32 C ATOM 803 O TYR A 48 -0.792 10.192 -3.560 1.00 1.31 O ATOM 804 CB TYR A 48 -3.693 9.523 -2.471 1.00 1.28 C ATOM 805 CG TYR A 48 -3.386 8.310 -3.331 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.187 7.055 -2.725 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.311 8.431 -4.733 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.949 5.914 -3.512 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.053 7.296 -5.524 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.884 6.033 -4.918 1.00 1.27 C ATOM 811 OH TYR A 48 -2.663 4.940 -5.694 1.00 1.29 O ATOM 0 H TYR A 48 -3.920 11.068 -0.598 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.830 9.403 -1.367 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.393 9.230 -1.688 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.196 10.270 -3.085 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.217 6.968 -1.649 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.451 9.394 -5.200 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.816 4.950 -3.043 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.984 7.392 -6.598 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.650 5.206 -6.637 1.00 1.29 H new ATOM 821 N GLU A 49 -1.639 12.186 -3.001 1.00 1.39 N ATOM 822 CA GLU A 49 -0.880 12.913 -4.031 1.00 1.47 C ATOM 823 C GLU A 49 0.601 13.075 -3.669 1.00 1.46 C ATOM 824 O GLU A 49 1.464 12.740 -4.486 1.00 1.48 O ATOM 825 CB GLU A 49 -1.532 14.277 -4.290 1.00 1.57 C ATOM 826 CG GLU A 49 -2.814 14.106 -5.115 1.00 1.61 C ATOM 827 CD GLU A 49 -3.610 15.416 -5.199 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.184 16.360 -5.908 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.687 15.487 -4.561 1.00 1.72 O ATOM 0 H GLU A 49 -2.212 12.783 -2.404 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.910 12.317 -4.943 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.763 14.763 -3.342 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.835 14.926 -4.819 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.559 13.769 -6.120 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.435 13.330 -4.667 1.00 1.61 H new ATOM 836 N THR A 50 0.928 13.498 -2.439 1.00 1.44 N ATOM 837 CA THR A 50 2.317 13.467 -1.948 1.00 1.45 C ATOM 838 C THR A 50 2.815 12.027 -1.853 1.00 1.37 C ATOM 839 O THR A 50 3.958 11.744 -2.208 1.00 1.40 O ATOM 840 CB THR A 50 2.480 14.162 -0.588 1.00 1.46 C ATOM 841 OG1 THR A 50 2.013 15.493 -0.666 1.00 1.54 O ATOM 842 CG2 THR A 50 3.938 14.248 -0.133 1.00 1.50 C ATOM 0 H THR A 50 0.254 13.865 -1.767 1.00 1.44 H new ATOM 0 HA THR A 50 2.917 14.020 -2.671 1.00 1.45 H new ATOM 0 HB THR A 50 1.911 13.560 0.121 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.067 15.523 -0.413 1.00 1.54 H new ATOM 0 HG21 THR A 50 3.989 14.749 0.834 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.351 13.243 -0.043 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.515 14.813 -0.865 1.00 1.50 H new ATOM 850 N ILE A 51 1.939 11.094 -1.461 1.00 1.30 N ATOM 851 CA ILE A 51 2.257 9.660 -1.464 1.00 1.24 C ATOM 852 C ILE A 51 2.707 9.167 -2.850 1.00 1.27 C ATOM 853 O ILE A 51 3.715 8.471 -2.948 1.00 1.27 O ATOM 854 CB ILE A 51 1.053 8.878 -0.875 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.296 8.483 0.594 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.655 7.629 -1.669 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.247 9.681 1.554 1.00 1.17 C ATOM 0 H ILE A 51 0.997 11.309 -1.135 1.00 1.30 H new ATOM 0 HA ILE A 51 3.119 9.473 -0.824 1.00 1.24 H new ATOM 0 HB ILE A 51 0.221 9.579 -0.944 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.547 7.751 0.896 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.268 7.997 0.678 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.194 7.146 -1.186 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.380 7.915 -2.684 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.496 6.936 -1.703 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.425 9.338 2.573 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.014 10.403 1.274 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.266 10.153 1.497 1.00 1.17 H new ATOM 869 N THR A 52 2.005 9.549 -3.914 1.00 1.30 N ATOM 870 CA THR A 52 2.367 9.135 -5.284 1.00 1.35 C ATOM 871 C THR A 52 3.607 9.865 -5.795 1.00 1.42 C ATOM 872 O THR A 52 4.450 9.248 -6.450 1.00 1.45 O ATOM 873 CB THR A 52 1.177 9.344 -6.233 1.00 1.39 C ATOM 874 OG1 THR A 52 0.114 8.531 -5.784 1.00 1.34 O ATOM 875 CG2 THR A 52 1.456 8.911 -7.672 1.00 1.45 C ATOM 0 H THR A 52 1.179 10.146 -3.863 1.00 1.30 H new ATOM 0 HA THR A 52 2.613 8.074 -5.255 1.00 1.35 H new ATOM 0 HB THR A 52 0.958 10.412 -6.227 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.317 8.953 -5.011 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.571 9.088 -8.283 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.293 9.486 -8.069 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.704 7.850 -7.691 1.00 1.45 H new ATOM 883 N ALA A 53 3.771 11.139 -5.436 1.00 1.47 N ATOM 884 CA ALA A 53 4.967 11.906 -5.783 1.00 1.55 C ATOM 885 C ALA A 53 6.245 11.445 -5.043 1.00 1.54 C ATOM 886 O ALA A 53 7.344 11.709 -5.542 1.00 1.61 O ATOM 887 CB ALA A 53 4.677 13.386 -5.500 1.00 1.61 C ATOM 0 H ALA A 53 3.082 11.666 -4.899 1.00 1.47 H new ATOM 0 HA ALA A 53 5.179 11.739 -6.839 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.554 13.983 -5.750 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.831 13.713 -6.104 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.440 13.515 -4.444 1.00 1.61 H new ATOM 893 N ARG A 54 6.121 10.773 -3.881 1.00 1.47 N ATOM 894 CA ARG A 54 7.291 10.510 -3.003 1.00 1.49 C ATOM 895 C ARG A 54 7.450 9.070 -2.490 1.00 1.44 C ATOM 896 O ARG A 54 8.472 8.774 -1.871 1.00 1.48 O ATOM 897 CB ARG A 54 7.230 11.464 -1.791 1.00 1.51 C ATOM 898 CG ARG A 54 7.266 12.972 -2.106 1.00 1.59 C ATOM 899 CD ARG A 54 8.575 13.449 -2.757 1.00 1.68 C ATOM 900 NE ARG A 54 9.759 13.192 -1.911 1.00 1.72 N ATOM 901 CZ ARG A 54 10.183 13.903 -0.881 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.570 14.979 -0.473 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.250 13.542 -0.229 1.00 1.82 N ATOM 0 H ARG A 54 5.238 10.405 -3.528 1.00 1.47 H new ATOM 0 HA ARG A 54 8.160 10.681 -3.638 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.317 11.252 -1.235 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.066 11.232 -1.131 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.435 13.213 -2.769 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.109 13.529 -1.182 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.703 12.947 -3.716 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.506 14.517 -2.963 1.00 1.68 H new ATOM 0 HE ARG A 54 10.314 12.370 -2.150 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.730 15.301 -0.954 1.00 1.79 H new ATOM 0 HH12 ARG A 54 9.931 15.499 0.327 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.763 12.707 -0.512 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.573 14.094 0.565 1.00 1.82 H new ATOM 917 N ARG A 55 6.481 8.172 -2.732 1.00 1.37 N ATOM 918 CA ARG A 55 6.382 6.826 -2.111 1.00 1.32 C ATOM 919 C ARG A 55 6.478 6.944 -0.587 1.00 1.31 C ATOM 920 O ARG A 55 7.319 6.348 0.086 1.00 1.35 O ATOM 921 CB ARG A 55 7.359 5.824 -2.772 1.00 1.37 C ATOM 922 CG ARG A 55 7.388 5.885 -4.315 1.00 1.40 C ATOM 923 CD ARG A 55 6.025 5.674 -4.999 1.00 1.35 C ATOM 924 NE ARG A 55 5.811 6.632 -6.105 1.00 1.40 N ATOM 925 CZ ARG A 55 6.246 6.556 -7.347 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.956 5.555 -7.787 1.00 1.49 N ATOM 927 NH2 ARG A 55 5.965 7.518 -8.174 1.00 1.51 N ATOM 0 H ARG A 55 5.719 8.361 -3.383 1.00 1.37 H new ATOM 0 HA ARG A 55 5.401 6.393 -2.305 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.364 6.012 -2.394 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.087 4.814 -2.465 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.784 6.854 -4.618 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.082 5.129 -4.681 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.965 4.656 -5.383 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.228 5.784 -4.263 1.00 1.35 H new ATOM 0 HE ARG A 55 5.256 7.457 -5.878 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.197 4.787 -7.161 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.270 5.540 -8.757 1.00 1.49 H new ATOM 0 HH21 ARG A 55 5.415 8.317 -7.859 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.294 7.474 -9.138 1.00 1.51 H new ATOM 941 N GLN A 56 5.565 7.775 -0.074 1.00 1.28 N ATOM 942 CA GLN A 56 5.566 8.168 1.339 1.00 1.29 C ATOM 943 C GLN A 56 4.872 7.131 2.250 1.00 1.24 C ATOM 944 O GLN A 56 4.828 7.332 3.462 1.00 1.25 O ATOM 945 CB GLN A 56 4.955 9.576 1.499 1.00 1.30 C ATOM 946 CG GLN A 56 5.653 10.444 2.564 1.00 1.37 C ATOM 947 CD GLN A 56 6.859 11.206 2.010 1.00 1.46 C ATOM 948 OE1 GLN A 56 6.720 12.201 1.314 1.00 1.49 O ATOM 949 NE2 GLN A 56 8.081 10.804 2.282 1.00 1.51 N ATOM 0 H GLN A 56 4.811 8.191 -0.621 1.00 1.28 H new ATOM 0 HA GLN A 56 6.604 8.201 1.670 1.00 1.29 H new ATOM 0 HB2 GLN A 56 4.999 10.091 0.539 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.901 9.476 1.760 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.936 11.156 2.973 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.978 9.809 3.388 1.00 1.37 H new ATOM 0 HE21 GLN A 56 8.229 9.977 2.860 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.881 11.319 1.915 1.00 1.51 H new ATOM 958 N TRP A 57 4.369 6.004 1.716 1.00 1.19 N ATOM 959 CA TRP A 57 3.798 4.904 2.510 1.00 1.17 C ATOM 960 C TRP A 57 4.744 4.378 3.592 1.00 1.24 C ATOM 961 O TRP A 57 4.282 4.020 4.671 1.00 1.24 O ATOM 962 CB TRP A 57 3.325 3.744 1.625 1.00 1.15 C ATOM 963 CG TRP A 57 2.105 4.037 0.823 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.078 4.409 -0.473 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.718 3.986 1.268 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.768 4.617 -0.852 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.113 4.389 0.182 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.080 3.659 2.483 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.506 4.493 0.306 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.315 3.743 2.614 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.104 4.164 1.532 1.00 1.06 C ATOM 0 H TRP A 57 4.348 5.830 0.711 1.00 1.19 H new ATOM 0 HA TRP A 57 2.936 5.340 3.016 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.133 3.468 0.947 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.130 2.878 2.257 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.942 4.525 -1.111 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.485 4.906 -1.788 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.674 3.339 3.326 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.108 4.821 -0.528 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.783 3.483 3.552 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.176 4.235 1.644 1.00 1.06 H new ATOM 982 N LYS A 58 6.052 4.495 3.389 1.00 1.32 N ATOM 983 CA LYS A 58 7.001 4.098 4.431 1.00 1.42 C ATOM 984 C LYS A 58 6.746 4.909 5.710 1.00 1.43 C ATOM 985 O LYS A 58 6.866 4.395 6.822 1.00 1.51 O ATOM 986 CB LYS A 58 8.439 4.333 3.977 1.00 1.54 C ATOM 987 CG LYS A 58 8.954 3.292 3.004 1.00 1.98 C ATOM 988 CD LYS A 58 8.791 1.883 3.545 1.00 2.07 C ATOM 989 CE LYS A 58 7.910 1.049 2.632 1.00 2.58 C ATOM 990 NZ LYS A 58 8.512 0.904 1.278 1.00 2.89 N ATOM 0 H LYS A 58 6.476 4.853 2.533 1.00 1.32 H new ATOM 0 HA LYS A 58 6.858 3.035 4.628 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.506 5.316 3.511 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.088 4.350 4.853 1.00 1.54 H new ATOM 0 HG2 LYS A 58 8.419 3.382 2.059 1.00 1.98 H new ATOM 0 HG3 LYS A 58 10.007 3.481 2.794 1.00 1.98 H new ATOM 0 HD2 LYS A 58 9.769 1.412 3.643 1.00 2.07 H new ATOM 0 HD3 LYS A 58 8.354 1.921 4.543 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.758 0.063 3.072 1.00 2.58 H new ATOM 0 HE3 LYS A 58 6.928 1.515 2.547 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 8.167 0.028 0.837 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 8.243 1.718 0.689 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.548 0.865 1.361 1.00 2.89 H new ATOM 1004 N HIS A 59 6.402 6.188 5.527 1.00 1.39 N ATOM 1005 CA HIS A 59 6.114 7.095 6.639 1.00 1.40 C ATOM 1006 C HIS A 59 4.730 6.801 7.243 1.00 1.32 C ATOM 1007 O HIS A 59 4.501 7.031 8.429 1.00 1.35 O ATOM 1008 CB HIS A 59 6.257 8.547 6.176 1.00 1.43 C ATOM 1009 CG HIS A 59 7.642 8.858 5.678 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.522 9.676 6.353 1.00 1.81 N ATOM 1011 CD2 HIS A 59 8.307 8.429 4.574 1.00 1.59 C ATOM 1012 CE1 HIS A 59 9.664 9.736 5.688 1.00 1.93 C ATOM 1013 NE2 HIS A 59 9.560 8.986 4.605 1.00 1.79 N ATOM 0 H HIS A 59 6.316 6.621 4.607 1.00 1.39 H new ATOM 0 HA HIS A 59 6.839 6.931 7.436 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.536 8.745 5.383 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.013 9.214 7.002 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.920 7.770 3.811 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.535 10.303 5.981 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.291 8.845 3.907 1.00 1.79 H new ATOM 1022 N ILE A 60 3.800 6.336 6.405 1.00 1.23 N ATOM 1023 CA ILE A 60 2.479 5.886 6.866 1.00 1.20 C ATOM 1024 C ILE A 60 2.709 4.663 7.751 1.00 1.27 C ATOM 1025 O ILE A 60 2.183 4.638 8.852 1.00 1.33 O ATOM 1026 CB ILE A 60 1.495 5.616 5.706 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.090 6.972 5.088 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.256 4.839 6.197 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.282 6.858 3.795 1.00 1.14 C ATOM 0 H ILE A 60 3.937 6.260 5.397 1.00 1.23 H new ATOM 0 HA ILE A 60 1.992 6.676 7.438 1.00 1.20 H new ATOM 0 HB ILE A 60 1.979 4.996 4.951 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.506 7.531 5.819 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.992 7.551 4.889 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.419 4.663 5.359 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.569 3.883 6.617 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.259 5.421 6.962 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.039 7.855 3.429 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.869 6.329 3.045 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.639 6.309 3.989 1.00 1.14 H new ATOM 1238 N THR A 77 -0.434 -1.586 0.744 1.00 1.35 N ATOM 1239 CA THR A 77 -1.645 -0.886 1.168 1.00 1.39 C ATOM 1240 C THR A 77 -2.103 0.135 0.118 1.00 1.34 C ATOM 1241 O THR A 77 -3.286 0.456 0.033 1.00 1.38 O ATOM 1242 CB THR A 77 -1.415 -0.177 2.520 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.703 -1.046 3.409 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.731 0.228 3.166 1.00 1.49 C ATOM 0 HA THR A 77 -2.431 -1.633 1.282 1.00 1.39 H new ATOM 0 HB THR A 77 -0.832 0.724 2.329 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.283 -1.767 2.895 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.532 0.724 4.116 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.266 0.910 2.505 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.339 -0.660 3.341 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.147 0.654 -0.660 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.430 1.632 -1.721 1.00 1.25 C ATOM 1254 C ARG A 78 -2.439 1.078 -2.733 1.00 1.30 C ATOM 1255 O ARG A 78 -3.322 1.793 -3.211 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.120 2.004 -2.429 1.00 1.25 C ATOM 1257 CG ARG A 78 -0.296 2.713 -3.765 1.00 1.33 C ATOM 1258 CD ARG A 78 1.050 3.039 -4.395 1.00 1.40 C ATOM 1259 NE ARG A 78 0.969 3.144 -5.851 1.00 1.56 N ATOM 1260 CZ ARG A 78 1.950 2.780 -6.678 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.088 2.287 -6.197 1.00 2.01 N ATOM 1262 NH2 ARG A 78 1.795 2.912 -7.988 1.00 2.42 N ATOM 0 H ARG A 78 -0.160 0.411 -0.574 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.869 2.521 -1.268 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.465 2.644 -1.768 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.461 1.096 -2.589 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.874 2.083 -4.441 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.865 3.631 -3.620 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.423 3.978 -3.985 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.771 2.266 -4.128 1.00 1.40 H new ATOM 0 HE ARG A 78 0.112 3.518 -6.258 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.214 2.185 -5.190 1.00 2.01 H new ATOM 0 HH12 ARG A 78 3.834 2.011 -6.835 1.00 2.01 H new ATOM 0 HH21 ARG A 78 0.926 3.292 -8.363 1.00 2.42 H new ATOM 0 HH22 ARG A 78 2.545 2.634 -8.621 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.289 -0.205 -3.036 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.152 -0.912 -3.975 1.00 1.45 C ATOM 1278 C ARG A 79 -4.554 -1.184 -3.416 1.00 1.48 C ATOM 1279 O ARG A 79 -5.513 -1.284 -4.179 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.491 -2.210 -4.471 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.114 -1.969 -5.119 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.512 -3.255 -5.700 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.247 -3.724 -6.895 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.024 -4.834 -7.574 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.088 -5.676 -7.239 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.743 -5.124 -8.621 1.00 1.82 N ATOM 0 H ARG A 79 -1.557 -0.791 -2.633 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.285 -0.246 -4.827 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.378 -2.898 -3.633 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.148 -2.694 -5.194 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.212 -1.226 -5.911 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.433 -1.555 -4.376 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.531 -3.080 -5.962 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.523 -4.035 -4.939 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.004 -3.128 -7.229 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.501 -5.487 -6.428 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.055 -6.524 -7.788 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -2.485 -4.491 -8.922 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.564 -5.984 -9.140 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.682 -1.260 -2.090 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.966 -1.300 -1.393 1.00 1.50 C ATOM 1302 C HIS A 80 -6.605 0.098 -1.358 1.00 1.44 C ATOM 1303 O HIS A 80 -7.740 0.256 -1.804 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.767 -1.902 0.010 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.119 -3.271 -0.006 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.252 -3.773 0.939 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.278 -4.253 -0.956 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -3.899 -5.017 0.572 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.496 -5.355 -0.582 1.00 1.74 N ATOM 0 H HIS A 80 -3.880 -1.296 -1.460 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.663 -1.942 -1.931 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.153 -1.225 0.603 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.735 -1.973 0.507 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.898 -4.187 -1.838 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.229 -5.656 1.128 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.400 -6.237 -1.086 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.871 1.138 -0.936 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.378 2.518 -0.835 1.00 1.29 C ATOM 1320 C TYR A 81 -6.948 3.046 -2.159 1.00 1.32 C ATOM 1321 O TYR A 81 -7.990 3.704 -2.160 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.248 3.426 -0.319 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.651 4.848 0.070 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.958 5.805 -0.922 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.663 5.233 1.425 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.295 7.125 -0.562 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.927 6.570 1.783 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.260 7.521 0.794 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.578 8.794 1.158 1.00 1.11 O ATOM 0 H TYR A 81 -4.896 1.045 -0.651 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.212 2.521 -0.133 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.794 2.949 0.549 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.478 3.486 -1.088 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.934 5.523 -1.964 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.469 4.499 2.194 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.581 7.835 -1.324 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.874 6.869 2.819 1.00 1.12 H new ATOM 0 HH TYR A 81 -7.186 9.182 0.495 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.332 2.706 -3.303 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.744 3.189 -4.621 1.00 1.39 C ATOM 1341 C GLU A 82 -8.075 2.585 -5.095 1.00 1.50 C ATOM 1342 O GLU A 82 -8.603 2.999 -6.130 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.621 3.045 -5.660 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.388 1.621 -6.152 1.00 1.46 C ATOM 1345 CD GLU A 82 -4.469 1.603 -7.386 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.957 1.934 -8.496 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.274 1.238 -7.261 1.00 1.46 O ATOM 0 H GLU A 82 -5.526 2.081 -3.334 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.935 4.257 -4.512 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.854 3.677 -6.517 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.694 3.422 -5.228 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.943 1.026 -5.355 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.343 1.158 -6.400 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.624 1.621 -4.334 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.987 1.117 -4.547 1.00 1.64 C ATOM 1356 C ARG A 83 -10.886 1.195 -3.307 1.00 1.64 C ATOM 1357 O ARG A 83 -12.084 0.953 -3.431 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.947 -0.328 -5.088 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.260 -0.499 -6.449 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.984 0.237 -7.589 1.00 1.81 C ATOM 1361 NE ARG A 83 -9.256 0.079 -8.863 1.00 1.84 N ATOM 1362 CZ ARG A 83 -8.173 0.743 -9.233 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.725 1.775 -8.585 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -7.482 0.365 -10.270 1.00 1.82 N ATOM 0 H ARG A 83 -8.136 1.173 -3.558 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.437 1.781 -5.285 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.436 -0.957 -4.360 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.969 -0.698 -5.166 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.236 -0.132 -6.381 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.203 -1.561 -6.689 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.997 -0.152 -7.693 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.073 1.296 -7.345 1.00 1.81 H new ATOM 0 HE ARG A 83 -9.623 -0.608 -9.522 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.213 2.106 -7.752 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.885 2.255 -8.909 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -7.774 -0.451 -10.807 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -6.649 0.885 -10.545 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.339 1.558 -2.141 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.056 1.436 -0.869 1.00 1.57 C ATOM 1380 C LEU A 84 -11.322 2.796 -0.202 1.00 1.51 C ATOM 1381 O LEU A 84 -12.094 2.868 0.747 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.213 0.494 0.007 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.841 0.051 1.328 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.148 -0.709 1.133 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.871 -0.861 2.072 1.00 1.61 C ATOM 0 H LEU A 84 -9.397 1.940 -2.054 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.054 1.026 -1.025 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.979 -0.397 -0.576 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.267 0.988 0.227 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.054 0.957 1.895 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.549 -0.999 2.104 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.867 -0.071 0.620 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.964 -1.602 0.535 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.319 -1.177 3.014 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.654 -1.737 1.461 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.946 -0.321 2.273 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.715 3.877 -0.707 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.099 5.246 -0.310 1.00 1.41 C ATOM 1399 C ILE A 85 -10.709 6.320 -1.325 1.00 1.39 C ATOM 1400 O ILE A 85 -11.389 7.338 -1.369 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.615 5.590 1.110 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.275 6.902 1.598 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.088 5.661 1.199 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.344 7.032 3.121 1.00 1.33 C ATOM 0 H ILE A 85 -9.958 3.835 -1.389 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.189 5.248 -0.296 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.924 4.781 1.772 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.719 7.749 1.196 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.285 6.962 1.192 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.794 5.906 2.220 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.662 4.697 0.921 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.719 6.430 0.520 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.819 7.977 3.384 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.926 6.207 3.531 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.336 7.005 3.535 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.733 6.097 -2.213 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.503 6.981 -3.364 1.00 1.39 C ATOM 1418 C LEU A 86 -10.798 7.301 -4.162 1.00 1.49 C ATOM 1419 O LEU A 86 -10.991 8.473 -4.504 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.401 6.367 -4.241 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.001 7.175 -5.490 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.527 8.590 -5.149 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.878 6.467 -6.240 1.00 1.40 C ATOM 0 H LEU A 86 -9.087 5.309 -2.157 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.171 7.952 -2.997 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.513 6.224 -3.626 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.729 5.378 -4.562 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.897 7.248 -6.107 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.258 9.114 -6.066 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.328 9.130 -4.644 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.657 8.534 -4.494 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.605 7.049 -7.120 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.011 6.368 -5.587 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.214 5.477 -6.549 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.731 6.348 -4.408 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.030 6.668 -5.014 1.00 1.69 C ATOM 1437 C PRO A 87 -14.036 7.381 -4.085 1.00 1.71 C ATOM 1438 O PRO A 87 -15.001 7.947 -4.608 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.592 5.331 -5.513 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.961 4.305 -4.579 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.576 4.894 -4.337 1.00 1.59 C ATOM 0 HA PRO A 87 -12.875 7.395 -5.812 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.680 5.308 -5.457 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.322 5.146 -6.553 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.525 4.198 -3.652 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.908 3.317 -5.036 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.189 4.591 -3.364 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.867 4.541 -5.086 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.848 7.392 -2.754 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.811 8.004 -1.818 1.00 1.66 C ATOM 1451 C TYR A 88 -14.333 9.325 -1.189 1.00 1.59 C ATOM 1452 O TYR A 88 -15.155 10.219 -1.002 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.305 6.968 -0.788 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.714 6.437 -1.051 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.145 6.126 -2.361 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.606 6.254 0.025 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.449 5.645 -2.588 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.915 5.782 -0.198 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.340 5.473 -1.507 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.600 5.008 -1.736 1.00 2.17 O ATOM 0 H TYR A 88 -13.033 6.981 -2.299 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.673 8.310 -2.411 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.610 6.128 -0.774 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.279 7.419 0.204 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.470 6.258 -3.193 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.283 6.478 1.031 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.768 5.407 -3.592 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.593 5.657 0.633 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.085 4.946 -0.887 1.00 2.17 H new ATOM 1470 N GLU A 89 -13.028 9.567 -0.997 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.520 10.915 -0.651 1.00 1.46 C ATOM 1472 C GLU A 89 -12.910 11.974 -1.713 1.00 1.53 C ATOM 1473 O GLU A 89 -12.900 13.173 -1.442 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.999 10.923 -0.381 1.00 1.36 C ATOM 1475 CG GLU A 89 -10.111 10.686 -1.616 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.633 11.019 -1.326 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.931 10.206 -0.679 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.163 12.100 -1.766 1.00 1.29 O ATOM 0 H GLU A 89 -12.303 8.854 -1.074 1.00 1.50 H new ATOM 0 HA GLU A 89 -13.009 11.193 0.283 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.730 11.882 0.061 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.774 10.156 0.360 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.195 9.646 -1.931 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.467 11.299 -2.444 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.345 11.494 -2.889 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.964 12.339 -3.919 1.00 1.71 C ATOM 1487 C ARG A 90 -15.123 13.210 -3.400 1.00 1.78 C ATOM 1488 O ARG A 90 -15.238 14.351 -3.846 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.389 11.430 -5.088 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.772 12.215 -6.350 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.022 11.260 -7.523 1.00 1.97 C ATOM 1492 NE ARG A 90 -15.348 11.994 -8.759 1.00 2.08 N ATOM 1493 CZ ARG A 90 -15.425 11.493 -9.980 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -15.225 10.228 -10.227 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.707 12.263 -10.992 1.00 2.25 N ATOM 0 H ARG A 90 -13.277 10.511 -3.151 1.00 1.61 H new ATOM 0 HA ARG A 90 -13.227 13.067 -4.258 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.573 10.747 -5.325 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -15.236 10.819 -4.776 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -15.667 12.807 -6.159 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.976 12.914 -6.606 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.137 10.645 -7.687 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.840 10.583 -7.274 1.00 1.97 H new ATOM 0 HE ARG A 90 -15.533 12.992 -8.662 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -15.001 9.589 -9.465 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -15.293 9.878 -11.183 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -15.870 13.259 -10.845 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.765 11.870 -11.931 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.933 12.752 -2.432 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.943 13.624 -1.794 1.00 1.84 C ATOM 1511 C PHE A 91 -16.331 14.627 -0.797 1.00 1.78 C ATOM 1512 O PHE A 91 -16.852 15.731 -0.643 1.00 1.84 O ATOM 1513 CB PHE A 91 -18.105 12.821 -1.168 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.817 12.002 0.084 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -17.604 12.631 1.330 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.814 10.594 0.021 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.292 11.865 2.468 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.492 9.833 1.155 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.200 10.470 2.369 1.00 1.70 C ATOM 0 H PHE A 91 -15.913 11.797 -2.075 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.369 14.220 -2.601 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.906 13.522 -0.931 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.490 12.143 -1.929 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.681 13.705 1.410 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -18.061 10.098 -0.906 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.123 12.352 3.417 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.469 8.755 1.092 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.904 9.886 3.228 1.00 1.70 H new ATOM 1529 N ILE A 92 -15.197 14.292 -0.168 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.527 15.196 0.790 1.00 1.62 C ATOM 1531 C ILE A 92 -13.824 16.328 0.029 1.00 1.64 C ATOM 1532 O ILE A 92 -13.904 17.496 0.400 1.00 1.69 O ATOM 1533 CB ILE A 92 -13.513 14.414 1.669 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -14.182 13.203 2.362 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.880 15.349 2.718 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -13.231 12.299 3.155 1.00 1.43 C ATOM 0 H ILE A 92 -14.720 13.401 -0.302 1.00 1.67 H new ATOM 0 HA ILE A 92 -15.279 15.628 1.451 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.729 14.033 1.015 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.955 13.572 3.037 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.682 12.601 1.603 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -12.172 14.787 3.326 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -12.359 16.162 2.213 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.661 15.760 3.357 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.795 11.481 3.602 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.472 11.894 2.486 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.749 12.879 3.942 1.00 1.43 H new ATOM 1548 N LYS A 93 -13.185 15.972 -1.087 1.00 1.63 N ATOM 1549 CA LYS A 93 -12.335 16.890 -1.856 1.00 1.66 C ATOM 1550 C LYS A 93 -13.089 17.606 -2.988 1.00 1.78 C ATOM 1551 O LYS A 93 -12.531 18.482 -3.650 1.00 1.82 O ATOM 1552 CB LYS A 93 -11.161 16.041 -2.362 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.922 16.859 -2.745 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.680 15.961 -2.771 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.770 14.874 -3.850 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.614 13.953 -3.766 1.00 1.41 N ATOM 0 H LYS A 93 -13.241 15.035 -1.487 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.984 17.711 -1.231 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.886 15.323 -1.590 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.488 15.467 -3.229 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -10.068 17.317 -3.723 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.778 17.670 -2.031 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.796 16.573 -2.948 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.553 15.492 -1.795 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.697 14.313 -3.731 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.801 15.336 -4.837 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.553 13.391 -4.639 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.740 14.503 -3.647 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.736 13.316 -2.953 1.00 1.41 H new ATOM 1570 N GLY A 94 -14.364 17.250 -3.172 1.00 1.84 N ATOM 1571 CA GLY A 94 -15.226 17.851 -4.194 1.00 1.97 C ATOM 1572 C GLY A 94 -16.476 18.539 -3.633 1.00 2.05 C ATOM 1573 O GLY A 94 -17.054 19.371 -4.328 1.00 2.15 O ATOM 0 H GLY A 94 -14.829 16.534 -2.614 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.646 18.580 -4.760 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.535 17.076 -4.895 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.881 18.244 -2.386 1.00 2.00 N ATOM 1578 CA GLU A 95 -18.113 18.782 -1.773 1.00 2.08 C ATOM 1579 C GLU A 95 -17.980 19.124 -0.271 1.00 2.02 C ATOM 1580 O GLU A 95 -18.977 19.207 0.452 1.00 2.07 O ATOM 1581 CB GLU A 95 -19.308 17.831 -2.027 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.618 17.566 -3.507 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.908 16.740 -3.660 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -22.012 17.332 -3.754 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.830 15.486 -3.704 1.00 2.26 O ATOM 0 H GLU A 95 -16.360 17.621 -1.768 1.00 2.00 H new ATOM 0 HA GLU A 95 -18.299 19.735 -2.267 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -19.107 16.879 -1.537 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -20.196 18.252 -1.554 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.723 18.513 -4.036 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.785 17.035 -3.968 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.754 19.362 0.211 1.00 1.94 N ATOM 1593 CA GLU A 96 -16.493 19.819 1.590 1.00 1.90 C ATOM 1594 C GLU A 96 -15.207 20.659 1.757 1.00 1.87 C ATOM 1595 O GLU A 96 -15.248 21.721 2.381 1.00 1.92 O ATOM 1596 CB GLU A 96 -16.482 18.610 2.551 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.504 19.041 4.022 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.651 17.823 4.957 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.801 17.432 5.276 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.619 17.263 5.399 1.00 1.68 O ATOM 0 H GLU A 96 -15.907 19.243 -0.345 1.00 1.94 H new ATOM 0 HA GLU A 96 -17.310 20.495 1.841 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -17.346 17.977 2.346 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.593 18.007 2.364 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.586 19.577 4.260 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -17.330 19.733 4.189 1.00 1.81 H new ATOM 1607 N ASP A 97 -14.095 20.169 1.237 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.831 20.878 1.350 1.00 1.78 C ATOM 1609 C ASP A 97 -11.895 20.465 0.228 1.00 1.87 C ATOM 1610 O ASP A 97 -12.215 19.579 -0.560 1.00 2.33 O ATOM 1611 CB ASP A 97 -12.184 20.590 2.710 1.00 1.78 C ATOM 1612 CG ASP A 97 -11.371 21.762 3.229 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.978 22.729 3.732 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -10.125 21.712 3.130 1.00 2.20 O ATOM 0 H ASP A 97 -14.041 19.284 0.733 1.00 1.80 H new ATOM 0 HA ASP A 97 -13.022 21.948 1.271 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.961 20.343 3.433 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.539 19.715 2.624 1.00 1.78 H new