USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN : amide:sc= -1.11! K(o=-2.7!,f=-0.61) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -1.59! K(o=-2.7!,f=-0.61) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.11 (180deg=0.411) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.019 USER MOD Single : A 15 MET CE :methyl 174:sc= -0.682 (180deg=-0.777) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.19 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.561 K(o=-0.56,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 168:sc= -0.563 (180deg=-0.845) USER MOD Single : A 40 GLN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.566 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.615 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 35:sc= 0.287 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 81 TYR OH : rot 10:sc= 1.28 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 1.49 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.037 10.313 11.124 1.00 1.75 N ATOM 2 CA ARG A 1 -15.282 8.846 11.209 1.00 1.74 C ATOM 3 C ARG A 1 -16.559 8.403 10.490 1.00 1.77 C ATOM 4 O ARG A 1 -16.516 7.593 9.555 1.00 1.74 O ATOM 5 CB ARG A 1 -15.209 8.363 12.679 1.00 1.77 C ATOM 6 CG ARG A 1 -15.250 6.832 12.856 1.00 1.77 C ATOM 7 CD ARG A 1 -16.657 6.309 13.187 1.00 1.83 C ATOM 8 NE ARG A 1 -16.684 4.840 13.229 1.00 1.84 N ATOM 9 CZ ARG A 1 -16.458 4.037 14.247 1.00 1.86 C ATOM 10 NH1 ARG A 1 -16.153 4.469 15.436 1.00 1.89 N ATOM 11 NH2 ARG A 1 -16.540 2.756 14.053 1.00 1.87 N ATOM 0 H1 ARG A 1 -14.037 10.511 11.332 1.00 1.75 H new ATOM 0 H2 ARG A 1 -15.264 10.648 10.166 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.638 10.806 11.815 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.478 8.351 10.664 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -14.291 8.743 13.127 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -16.039 8.802 13.233 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.896 6.355 11.942 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.564 6.544 13.652 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.979 6.708 14.149 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -17.365 6.667 12.440 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.909 4.379 12.347 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -16.080 5.471 15.611 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.987 3.805 16.193 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.775 2.394 13.129 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -16.370 2.111 14.825 1.00 1.87 H new ATOM 27 N ALA A 2 -17.714 8.897 10.947 1.00 1.84 N ATOM 28 CA ALA A 2 -19.014 8.385 10.502 1.00 1.89 C ATOM 29 C ALA A 2 -19.299 8.638 9.013 1.00 1.88 C ATOM 30 O ALA A 2 -19.846 7.771 8.335 1.00 1.89 O ATOM 31 CB ALA A 2 -20.104 8.993 11.392 1.00 1.97 C ATOM 0 H ALA A 2 -17.775 9.654 11.628 1.00 1.84 H new ATOM 0 HA ALA A 2 -19.002 7.300 10.603 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -21.080 8.624 11.076 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.927 8.709 12.429 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -20.081 10.079 11.304 1.00 1.97 H new ATOM 37 N ASP A 3 -18.879 9.789 8.485 1.00 1.87 N ATOM 38 CA ASP A 3 -19.064 10.120 7.067 1.00 1.88 C ATOM 39 C ASP A 3 -18.125 9.328 6.138 1.00 1.81 C ATOM 40 O ASP A 3 -18.535 8.972 5.035 1.00 1.82 O ATOM 41 CB ASP A 3 -18.855 11.629 6.888 1.00 1.90 C ATOM 42 CG ASP A 3 -19.236 12.104 5.475 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.440 12.049 5.125 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.345 12.580 4.732 1.00 1.89 O ATOM 0 H ASP A 3 -18.404 10.515 9.022 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.077 9.837 6.781 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.453 12.167 7.624 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.811 11.875 7.083 1.00 1.90 H new ATOM 49 N GLU A 4 -16.919 8.970 6.604 1.00 1.74 N ATOM 50 CA GLU A 4 -16.022 8.099 5.831 1.00 1.68 C ATOM 51 C GLU A 4 -16.627 6.697 5.755 1.00 1.69 C ATOM 52 O GLU A 4 -16.743 6.122 4.675 1.00 1.68 O ATOM 53 CB GLU A 4 -14.630 8.020 6.473 1.00 1.62 C ATOM 54 CG GLU A 4 -13.924 9.377 6.624 1.00 1.61 C ATOM 55 CD GLU A 4 -14.126 9.958 8.033 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.239 10.431 8.367 1.00 1.71 O ATOM 57 OE2 GLU A 4 -13.190 9.900 8.861 1.00 1.62 O ATOM 0 H GLU A 4 -16.545 9.268 7.505 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.911 8.519 4.831 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.722 7.560 7.457 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -14.002 7.362 5.872 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.859 9.259 6.426 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.311 10.075 5.882 1.00 1.61 H new ATOM 64 N GLN A 5 -17.109 6.179 6.892 1.00 1.72 N ATOM 65 CA GLN A 5 -17.799 4.889 6.896 1.00 1.75 C ATOM 66 C GLN A 5 -19.054 4.901 6.008 1.00 1.81 C ATOM 67 O GLN A 5 -19.204 4.019 5.163 1.00 1.81 O ATOM 68 CB GLN A 5 -18.103 4.403 8.320 1.00 1.78 C ATOM 69 CG GLN A 5 -16.818 3.972 9.057 1.00 1.73 C ATOM 70 CD GLN A 5 -17.065 2.791 9.993 1.00 1.77 C ATOM 71 OE1 GLN A 5 -17.150 2.924 11.208 1.00 1.80 O ATOM 72 NE2 GLN A 5 -17.191 1.591 9.471 1.00 1.77 N ATOM 0 H GLN A 5 -17.035 6.627 7.805 1.00 1.72 H new ATOM 0 HA GLN A 5 -17.113 4.165 6.457 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.595 5.198 8.880 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.799 3.565 8.279 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -16.054 3.703 8.327 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.429 4.814 9.630 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -17.123 1.464 8.461 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -17.357 0.787 10.076 1.00 1.77 H new ATOM 81 N ALA A 6 -19.905 5.926 6.099 1.00 1.86 N ATOM 82 CA ALA A 6 -21.059 6.081 5.210 1.00 1.92 C ATOM 83 C ALA A 6 -20.653 6.103 3.723 1.00 1.90 C ATOM 84 O ALA A 6 -21.192 5.332 2.924 1.00 1.92 O ATOM 85 CB ALA A 6 -21.829 7.345 5.611 1.00 1.98 C ATOM 0 H ALA A 6 -19.814 6.671 6.790 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.709 5.213 5.324 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.691 7.470 4.955 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -22.169 7.252 6.643 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.176 8.213 5.521 1.00 1.98 H new ATOM 91 N PHE A 7 -19.650 6.908 3.345 1.00 1.85 N ATOM 92 CA PHE A 7 -19.188 6.964 1.956 1.00 1.83 C ATOM 93 C PHE A 7 -18.360 5.743 1.526 1.00 1.77 C ATOM 94 O PHE A 7 -18.265 5.491 0.319 1.00 1.78 O ATOM 95 CB PHE A 7 -18.562 8.335 1.622 1.00 1.82 C ATOM 96 CG PHE A 7 -17.090 8.616 1.903 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.077 7.918 1.212 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.726 9.726 2.695 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.733 8.300 1.340 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.376 10.097 2.838 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.376 9.379 2.164 1.00 1.63 C ATOM 0 H PHE A 7 -19.146 7.526 3.981 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.071 6.886 1.322 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.723 8.508 0.558 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.139 9.088 2.158 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.338 7.083 0.579 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.493 10.297 3.197 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.968 7.760 0.801 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.110 10.934 3.466 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.338 9.655 2.279 1.00 1.63 H new ATOM 111 N LEU A 8 -17.877 4.906 2.465 1.00 1.73 N ATOM 112 CA LEU A 8 -17.253 3.643 2.041 1.00 1.69 C ATOM 113 C LEU A 8 -18.266 2.489 2.031 1.00 1.75 C ATOM 114 O LEU A 8 -18.012 1.475 1.390 1.00 1.73 O ATOM 115 CB LEU A 8 -16.034 3.331 2.934 1.00 1.63 C ATOM 116 CG LEU A 8 -14.689 3.318 2.193 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.552 2.042 1.369 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.430 4.551 1.322 1.00 1.55 C ATOM 0 H LEU A 8 -17.904 5.070 3.471 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.903 3.757 1.015 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.987 4.070 3.734 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.184 2.360 3.406 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.924 3.347 2.969 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.594 2.046 0.849 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.603 1.176 2.029 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.361 1.991 0.640 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.458 4.456 0.837 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.208 4.630 0.563 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.439 5.445 1.945 1.00 1.55 H new ATOM 130 N VAL A 9 -19.432 2.640 2.678 1.00 1.81 N ATOM 131 CA VAL A 9 -20.563 1.712 2.483 1.00 1.87 C ATOM 132 C VAL A 9 -21.223 1.993 1.124 1.00 1.92 C ATOM 133 O VAL A 9 -21.560 1.062 0.387 1.00 1.94 O ATOM 134 CB VAL A 9 -21.572 1.804 3.648 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.900 1.087 3.362 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.979 1.153 4.906 1.00 1.91 C ATOM 0 H VAL A 9 -19.619 3.393 3.340 1.00 1.81 H new ATOM 0 HA VAL A 9 -20.191 0.688 2.480 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.768 2.868 3.784 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.562 1.191 4.222 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.371 1.530 2.485 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.710 0.030 3.176 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.696 1.222 5.724 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.758 0.105 4.704 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -20.061 1.670 5.185 1.00 1.91 H new ATOM 146 N ALA A 10 -21.317 3.270 0.738 1.00 1.93 N ATOM 147 CA ALA A 10 -21.718 3.647 -0.618 1.00 1.97 C ATOM 148 C ALA A 10 -20.721 3.145 -1.680 1.00 1.92 C ATOM 149 O ALA A 10 -21.148 2.541 -2.673 1.00 1.96 O ATOM 150 CB ALA A 10 -21.890 5.171 -0.673 1.00 1.99 C ATOM 0 H ALA A 10 -21.119 4.062 1.350 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.667 3.166 -0.854 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.189 5.467 -1.678 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.657 5.476 0.039 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.946 5.653 -0.418 1.00 1.99 H new ATOM 156 N LEU A 11 -19.401 3.307 -1.452 1.00 1.84 N ATOM 157 CA LEU A 11 -18.409 2.650 -2.312 1.00 1.80 C ATOM 158 C LEU A 11 -18.551 1.131 -2.278 1.00 1.80 C ATOM 159 O LEU A 11 -18.502 0.534 -3.341 1.00 1.82 O ATOM 160 CB LEU A 11 -16.961 3.039 -1.985 1.00 1.71 C ATOM 161 CG LEU A 11 -15.934 2.339 -2.915 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.075 2.704 -4.394 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.519 2.714 -2.502 1.00 1.59 C ATOM 0 H LEU A 11 -19.010 3.873 -0.699 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.623 3.011 -3.318 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.849 4.120 -2.074 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.744 2.780 -0.949 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.135 1.273 -2.806 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.320 2.172 -4.974 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.068 2.422 -4.745 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.938 3.778 -4.518 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.805 2.219 -3.160 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.392 3.794 -2.577 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.345 2.398 -1.473 1.00 1.59 H new ATOM 175 N TYR A 12 -18.745 0.488 -1.123 1.00 1.80 N ATOM 176 CA TYR A 12 -18.910 -0.968 -1.045 1.00 1.81 C ATOM 177 C TYR A 12 -20.023 -1.462 -1.974 1.00 1.89 C ATOM 178 O TYR A 12 -19.794 -2.401 -2.738 1.00 1.89 O ATOM 179 CB TYR A 12 -19.152 -1.424 0.403 1.00 1.82 C ATOM 180 CG TYR A 12 -19.654 -2.851 0.537 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.895 -3.921 0.026 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.916 -3.099 1.117 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.399 -5.237 0.082 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.416 -4.412 1.184 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.662 -5.486 0.663 1.00 1.96 C ATOM 186 OH TYR A 12 -21.151 -6.756 0.710 1.00 2.02 O ATOM 0 H TYR A 12 -18.792 0.959 -0.219 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.978 -1.419 -1.386 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.222 -1.325 0.962 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.875 -0.753 0.866 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.925 -3.734 -0.410 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.499 -2.279 1.510 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.819 -6.055 -0.320 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.379 -4.599 1.635 1.00 1.99 H new ATOM 0 HH TYR A 12 -22.030 -6.752 1.143 1.00 2.02 H new ATOM 196 N LYS A 13 -21.181 -0.786 -1.985 1.00 1.95 N ATOM 197 CA LYS A 13 -22.235 -1.076 -2.966 1.00 2.03 C ATOM 198 C LYS A 13 -21.751 -0.848 -4.399 1.00 2.02 C ATOM 199 O LYS A 13 -21.782 -1.799 -5.188 1.00 2.05 O ATOM 200 CB LYS A 13 -23.506 -0.284 -2.614 1.00 2.10 C ATOM 201 CG LYS A 13 -24.695 -0.679 -3.506 1.00 2.18 C ATOM 202 CD LYS A 13 -25.986 0.082 -3.163 1.00 2.25 C ATOM 203 CE LYS A 13 -26.529 -0.282 -1.775 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.823 0.398 -1.498 1.00 2.34 N ATOM 0 H LYS A 13 -21.410 -0.039 -1.329 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.490 -2.135 -2.917 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.763 -0.457 -1.569 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.310 0.783 -2.722 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.437 -0.493 -4.549 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.875 -1.750 -3.408 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.795 1.154 -3.205 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.744 -0.136 -3.915 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.663 -1.362 -1.708 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.800 -0.003 -1.014 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.161 0.129 -0.552 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.689 1.429 -1.538 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.525 0.112 -2.210 1.00 2.34 H new ATOM 218 N TYR A 14 -21.246 0.343 -4.746 1.00 2.00 N ATOM 219 CA TYR A 14 -20.735 0.562 -6.107 1.00 2.00 C ATOM 220 C TYR A 14 -19.629 -0.407 -6.568 1.00 1.95 C ATOM 221 O TYR A 14 -19.666 -0.874 -7.703 1.00 1.99 O ATOM 222 CB TYR A 14 -20.257 2.018 -6.200 1.00 1.98 C ATOM 223 CG TYR A 14 -19.968 2.485 -7.614 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.036 2.868 -8.449 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.645 2.529 -8.098 1.00 1.96 C ATOM 226 CE1 TYR A 14 -20.787 3.292 -9.767 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.393 2.945 -9.421 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.465 3.326 -10.259 1.00 2.09 C ATOM 229 OH TYR A 14 -19.219 3.693 -11.547 1.00 2.13 O ATOM 0 H TYR A 14 -21.180 1.149 -4.124 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.558 0.356 -6.791 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.015 2.667 -5.762 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.355 2.132 -5.599 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.049 2.836 -8.076 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -17.825 2.244 -7.456 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -21.608 3.591 -10.402 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.380 2.973 -9.794 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.254 3.662 -11.717 1.00 2.13 H new ATOM 239 N MET A 15 -18.668 -0.754 -5.707 1.00 1.88 N ATOM 240 CA MET A 15 -17.559 -1.637 -6.062 1.00 1.83 C ATOM 241 C MET A 15 -17.997 -3.107 -6.129 1.00 1.86 C ATOM 242 O MET A 15 -17.500 -3.846 -6.981 1.00 1.86 O ATOM 243 CB MET A 15 -16.318 -1.373 -5.201 1.00 1.74 C ATOM 244 CG MET A 15 -16.379 -1.899 -3.768 1.00 1.72 C ATOM 245 SD MET A 15 -15.065 -1.286 -2.670 1.00 1.62 S ATOM 246 CE MET A 15 -13.570 -1.589 -3.656 1.00 1.57 C ATOM 0 H MET A 15 -18.639 -0.428 -4.741 1.00 1.88 H new ATOM 0 HA MET A 15 -17.246 -1.395 -7.078 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.455 -1.819 -5.695 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.145 -0.297 -5.166 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.345 -1.632 -3.339 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.332 -2.988 -3.794 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.706 -1.163 -3.147 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.426 -2.663 -3.778 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.680 -1.124 -4.636 1.00 1.57 H new ATOM 256 N LYS A 16 -18.992 -3.533 -5.330 1.00 1.90 N ATOM 257 CA LYS A 16 -19.637 -4.844 -5.515 1.00 1.96 C ATOM 258 C LYS A 16 -20.377 -4.915 -6.859 1.00 2.03 C ATOM 259 O LYS A 16 -20.260 -5.912 -7.569 1.00 2.05 O ATOM 260 CB LYS A 16 -20.546 -5.135 -4.310 1.00 1.99 C ATOM 261 CG LYS A 16 -21.130 -6.553 -4.351 1.00 2.05 C ATOM 262 CD LYS A 16 -21.579 -6.999 -2.953 1.00 2.07 C ATOM 263 CE LYS A 16 -22.207 -8.395 -3.019 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.333 -8.988 -1.665 1.00 2.15 N ATOM 0 H LYS A 16 -19.366 -2.989 -4.552 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.879 -5.626 -5.556 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.978 -5.005 -3.389 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.359 -4.410 -4.288 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.977 -6.582 -5.036 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.384 -7.247 -4.737 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.726 -7.008 -2.275 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.299 -6.287 -2.550 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.190 -8.333 -3.485 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.596 -9.043 -3.648 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.852 -9.887 -1.727 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.386 -9.161 -1.272 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.850 -8.332 -1.045 1.00 2.15 H new ATOM 278 N GLU A 17 -21.012 -3.815 -7.270 1.00 2.07 N ATOM 279 CA GLU A 17 -21.567 -3.671 -8.635 1.00 2.13 C ATOM 280 C GLU A 17 -20.479 -3.501 -9.735 1.00 2.10 C ATOM 281 O GLU A 17 -20.801 -3.395 -10.921 1.00 2.16 O ATOM 282 CB GLU A 17 -22.572 -2.501 -8.619 1.00 2.18 C ATOM 283 CG GLU A 17 -23.604 -2.548 -9.755 1.00 2.27 C ATOM 284 CD GLU A 17 -24.690 -1.472 -9.559 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.520 -0.332 -10.056 1.00 2.34 O ATOM 286 OE2 GLU A 17 -25.732 -1.762 -8.922 1.00 2.37 O ATOM 0 H GLU A 17 -21.160 -2.999 -6.677 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.074 -4.597 -8.906 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.098 -2.500 -7.664 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.022 -1.562 -8.681 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.104 -2.396 -10.712 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.066 -3.534 -9.791 1.00 2.27 H new ATOM 293 N ARG A 18 -19.190 -3.498 -9.354 1.00 2.02 N ATOM 294 CA ARG A 18 -18.054 -3.471 -10.305 1.00 1.99 C ATOM 295 C ARG A 18 -17.148 -4.711 -10.176 1.00 1.95 C ATOM 296 O ARG A 18 -15.994 -4.692 -10.608 1.00 1.90 O ATOM 297 CB ARG A 18 -17.298 -2.119 -10.209 1.00 1.94 C ATOM 298 CG ARG A 18 -17.831 -1.050 -11.182 1.00 2.01 C ATOM 299 CD ARG A 18 -19.127 -0.367 -10.731 1.00 2.06 C ATOM 300 NE ARG A 18 -19.711 0.440 -11.817 1.00 2.13 N ATOM 301 CZ ARG A 18 -20.607 0.046 -12.708 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.107 -1.159 -12.727 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.017 0.875 -13.624 1.00 2.28 N ATOM 0 H ARG A 18 -18.901 -3.514 -8.376 1.00 2.02 H new ATOM 0 HA ARG A 18 -18.451 -3.533 -11.318 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.372 -1.741 -9.189 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.240 -2.288 -10.410 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.064 -0.289 -11.321 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -17.999 -1.514 -12.154 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -19.845 -1.121 -10.408 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -18.925 0.270 -9.870 1.00 2.06 H new ATOM 0 HE ARG A 18 -19.390 1.406 -11.890 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -20.809 -1.846 -12.034 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -21.796 -1.414 -13.435 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -20.648 1.825 -13.654 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -21.707 0.574 -14.312 1.00 2.28 H new ATOM 317 N LYS A 19 -17.670 -5.810 -9.602 1.00 1.97 N ATOM 318 CA LYS A 19 -17.019 -7.131 -9.445 1.00 1.95 C ATOM 319 C LYS A 19 -15.768 -7.062 -8.560 1.00 1.86 C ATOM 320 O LYS A 19 -14.895 -7.934 -8.615 1.00 1.84 O ATOM 321 CB LYS A 19 -16.769 -7.793 -10.821 1.00 1.99 C ATOM 322 CG LYS A 19 -18.048 -7.919 -11.668 1.00 2.09 C ATOM 323 CD LYS A 19 -17.757 -8.603 -13.010 1.00 2.13 C ATOM 324 CE LYS A 19 -19.038 -8.680 -13.851 1.00 2.22 C ATOM 325 NZ LYS A 19 -18.791 -9.314 -15.172 1.00 2.27 N ATOM 0 H LYS A 19 -18.612 -5.803 -9.211 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.708 -7.784 -8.909 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.032 -7.208 -11.371 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.341 -8.784 -10.669 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -18.796 -8.491 -11.119 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -18.470 -6.930 -11.845 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -16.990 -8.048 -13.551 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.364 -9.605 -12.839 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -19.795 -9.249 -13.310 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -19.438 -7.677 -13.998 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -19.679 -9.349 -15.712 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.087 -8.757 -15.698 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -18.433 -10.280 -15.032 1.00 2.27 H new ATOM 339 N THR A 20 -15.716 -6.027 -7.717 1.00 1.82 N ATOM 340 CA THR A 20 -14.563 -5.760 -6.858 1.00 1.73 C ATOM 341 C THR A 20 -15.014 -5.392 -5.433 1.00 1.72 C ATOM 342 O THR A 20 -14.688 -4.309 -4.953 1.00 1.68 O ATOM 343 CB THR A 20 -13.633 -4.689 -7.486 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.404 -4.945 -8.858 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.238 -4.658 -6.852 1.00 1.61 C ATOM 0 H THR A 20 -16.473 -5.351 -7.612 1.00 1.82 H new ATOM 0 HA THR A 20 -13.974 -6.673 -6.777 1.00 1.73 H new ATOM 0 HB THR A 20 -14.156 -3.747 -7.318 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.230 -4.791 -9.362 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.636 -3.888 -7.335 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.326 -4.435 -5.789 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.758 -5.628 -6.981 1.00 1.61 H new ATOM 353 N PRO A 21 -15.820 -6.228 -4.741 1.00 1.76 N ATOM 354 CA PRO A 21 -16.309 -5.929 -3.389 1.00 1.76 C ATOM 355 C PRO A 21 -15.182 -5.903 -2.342 1.00 1.69 C ATOM 356 O PRO A 21 -14.144 -6.540 -2.511 1.00 1.66 O ATOM 357 CB PRO A 21 -17.318 -7.043 -3.082 1.00 1.84 C ATOM 358 CG PRO A 21 -16.798 -8.228 -3.891 1.00 1.85 C ATOM 359 CD PRO A 21 -16.269 -7.553 -5.153 1.00 1.82 C ATOM 0 HA PRO A 21 -16.753 -4.935 -3.345 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.354 -7.269 -2.016 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.328 -6.764 -3.383 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.015 -8.770 -3.361 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.587 -8.946 -4.114 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.449 -8.125 -5.587 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.047 -7.483 -5.913 1.00 1.82 H new ATOM 367 N ILE A 22 -15.428 -5.258 -1.195 1.00 1.68 N ATOM 368 CA ILE A 22 -14.528 -5.361 -0.017 1.00 1.64 C ATOM 369 C ILE A 22 -14.406 -6.830 0.467 1.00 1.67 C ATOM 370 O ILE A 22 -13.404 -7.234 1.048 1.00 1.64 O ATOM 371 CB ILE A 22 -14.997 -4.367 1.080 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.856 -2.925 0.549 1.00 1.61 C ATOM 373 CG2 ILE A 22 -14.214 -4.535 2.397 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.359 -1.828 1.494 1.00 1.62 C ATOM 0 H ILE A 22 -16.239 -4.657 -1.048 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.514 -5.071 -0.293 1.00 1.64 H new ATOM 0 HB ILE A 22 -16.041 -4.582 1.307 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.805 -2.738 0.328 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.399 -2.847 -0.393 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.579 -3.817 3.132 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -14.354 -5.547 2.777 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -13.154 -4.360 2.215 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.216 -0.853 1.029 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.419 -1.981 1.697 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.801 -1.869 2.429 1.00 1.62 H new ATOM 386 N GLU A 23 -15.408 -7.645 0.117 1.00 1.74 N ATOM 387 CA GLU A 23 -15.347 -9.112 0.270 1.00 1.78 C ATOM 388 C GLU A 23 -14.127 -9.802 -0.406 1.00 1.75 C ATOM 389 O GLU A 23 -13.845 -10.960 -0.081 1.00 1.78 O ATOM 390 CB GLU A 23 -16.660 -9.760 -0.205 1.00 1.87 C ATOM 391 CG GLU A 23 -17.881 -9.289 0.595 1.00 1.91 C ATOM 392 CD GLU A 23 -19.141 -10.069 0.182 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.793 -9.682 -0.817 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.492 -11.071 0.852 1.00 2.06 O ATOM 0 H GLU A 23 -16.286 -7.311 -0.281 1.00 1.74 H new ATOM 0 HA GLU A 23 -15.208 -9.275 1.339 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.812 -9.530 -1.260 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.575 -10.844 -0.124 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.697 -9.425 1.661 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -18.039 -8.223 0.432 1.00 1.91 H new ATOM 401 N ARG A 24 -13.361 -9.115 -1.280 1.00 1.69 N ATOM 402 CA ARG A 24 -12.064 -9.581 -1.835 1.00 1.65 C ATOM 403 C ARG A 24 -10.843 -8.752 -1.376 1.00 1.57 C ATOM 404 O ARG A 24 -9.746 -8.911 -1.913 1.00 1.53 O ATOM 405 CB ARG A 24 -12.160 -9.765 -3.369 1.00 1.67 C ATOM 406 CG ARG A 24 -11.894 -8.508 -4.223 1.00 1.62 C ATOM 407 CD ARG A 24 -12.298 -8.701 -5.694 1.00 1.67 C ATOM 408 NE ARG A 24 -11.481 -9.720 -6.380 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.635 -10.159 -7.620 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.575 -9.730 -8.417 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.823 -11.059 -8.095 1.00 1.72 N ATOM 0 H ARG A 24 -13.631 -8.196 -1.631 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.869 -10.563 -1.405 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.451 -10.538 -3.667 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.156 -10.137 -3.608 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.445 -7.665 -3.805 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.835 -8.254 -4.170 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.348 -8.990 -5.743 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.204 -7.751 -6.220 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.717 -10.130 -5.843 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.235 -9.023 -8.093 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.650 -10.102 -9.364 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.070 -11.425 -7.512 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -10.940 -11.398 -9.050 1.00 1.72 H new ATOM 425 N ILE A 25 -11.021 -7.897 -0.365 1.00 1.55 N ATOM 426 CA ILE A 25 -10.026 -6.968 0.204 1.00 1.48 C ATOM 427 C ILE A 25 -9.991 -7.168 1.741 1.00 1.49 C ATOM 428 O ILE A 25 -10.565 -6.375 2.494 1.00 1.50 O ATOM 429 CB ILE A 25 -10.321 -5.500 -0.210 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.659 -5.337 -1.713 1.00 1.46 C ATOM 431 CG2 ILE A 25 -9.086 -4.647 0.140 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.047 -3.908 -2.114 1.00 1.45 C ATOM 0 H ILE A 25 -11.920 -7.826 0.112 1.00 1.55 H new ATOM 0 HA ILE A 25 -9.036 -7.187 -0.195 1.00 1.48 H new ATOM 0 HB ILE A 25 -11.206 -5.172 0.336 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.798 -5.648 -2.304 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.479 -6.010 -1.966 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.268 -3.610 -0.142 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.896 -4.704 1.212 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.219 -5.023 -0.402 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.269 -3.877 -3.181 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.928 -3.599 -1.551 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.221 -3.232 -1.895 1.00 1.45 H new ATOM 444 N PRO A 26 -9.501 -8.336 2.190 1.00 1.53 N ATOM 445 CA PRO A 26 -9.569 -8.747 3.607 1.00 1.57 C ATOM 446 C PRO A 26 -8.687 -8.052 4.648 1.00 1.52 C ATOM 447 O PRO A 26 -9.137 -7.883 5.783 1.00 1.50 O ATOM 448 CB PRO A 26 -9.230 -10.238 3.548 1.00 1.62 C ATOM 449 CG PRO A 26 -8.385 -10.399 2.337 1.00 1.59 C ATOM 450 CD PRO A 26 -8.858 -9.366 1.350 1.00 1.55 C ATOM 0 HA PRO A 26 -10.554 -8.464 3.978 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.698 -10.556 4.444 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -10.133 -10.845 3.481 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -7.331 -10.254 2.576 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.483 -11.403 1.925 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -8.028 -8.952 0.777 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -9.560 -9.791 0.633 1.00 1.55 H new ATOM 458 N TYR A 27 -7.471 -7.640 4.328 1.00 1.52 N ATOM 459 CA TYR A 27 -6.632 -7.061 5.383 1.00 1.49 C ATOM 460 C TYR A 27 -5.938 -5.748 5.027 1.00 1.38 C ATOM 461 O TYR A 27 -6.015 -5.248 3.906 1.00 1.34 O ATOM 462 CB TYR A 27 -5.554 -8.069 5.798 1.00 1.61 C ATOM 463 CG TYR A 27 -6.067 -9.292 6.525 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.681 -9.183 7.768 1.00 1.91 C ATOM 465 CD2 TYR A 27 -5.950 -10.557 5.961 1.00 1.76 C ATOM 466 CE1 TYR A 27 -7.161 -10.297 8.425 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.426 -11.677 6.615 1.00 2.09 C ATOM 468 CZ TYR A 27 -6.990 -11.541 7.874 1.00 2.29 C ATOM 469 OH TYR A 27 -7.509 -12.654 8.502 1.00 2.75 O ATOM 0 H TYR A 27 -7.052 -7.687 3.399 1.00 1.52 H new ATOM 0 HA TYR A 27 -7.327 -6.833 6.191 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -5.019 -8.393 4.906 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.831 -7.562 6.437 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.784 -8.211 8.226 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -5.479 -10.666 4.995 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -7.670 -10.190 9.371 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -6.359 -12.649 6.150 1.00 2.09 H new ATOM 0 HH TYR A 27 -7.298 -13.454 7.977 1.00 2.75 H new ATOM 479 N LEU A 28 -5.283 -5.202 6.061 1.00 1.39 N ATOM 480 CA LEU A 28 -4.478 -3.985 5.986 1.00 1.35 C ATOM 481 C LEU A 28 -3.090 -4.336 6.531 1.00 1.35 C ATOM 482 O LEU A 28 -2.974 -5.275 7.322 1.00 1.38 O ATOM 483 CB LEU A 28 -5.111 -2.852 6.801 1.00 1.42 C ATOM 484 CG LEU A 28 -4.252 -1.598 6.956 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.337 -0.707 5.724 1.00 1.58 C ATOM 486 CD2 LEU A 28 -4.657 -0.829 8.202 1.00 1.77 C ATOM 0 H LEU A 28 -5.302 -5.609 6.996 1.00 1.39 H new ATOM 0 HA LEU A 28 -4.414 -3.631 4.957 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -6.053 -2.571 6.330 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -5.352 -3.232 7.794 1.00 1.42 H new ATOM 0 HG LEU A 28 -3.215 -1.915 7.062 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.714 0.175 5.869 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.987 -1.258 4.851 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.371 -0.399 5.568 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -4.036 0.061 8.298 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -5.704 -0.535 8.124 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -4.523 -1.461 9.080 1.00 1.77 H new ATOM 583 N ASN A 34 -10.088 -1.099 7.944 1.00 1.56 N ATOM 584 CA ASN A 34 -10.303 0.286 8.436 1.00 1.58 C ATOM 585 C ASN A 34 -9.845 1.353 7.427 1.00 1.57 C ATOM 586 O ASN A 34 -8.730 1.872 7.520 1.00 1.91 O ATOM 587 CB ASN A 34 -9.593 0.487 9.782 1.00 1.60 C ATOM 588 CG ASN A 34 -10.173 -0.387 10.882 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.690 -1.492 11.134 1.00 2.14 O ATOM 590 ND2 ASN A 34 -11.217 0.104 11.544 1.00 2.10 N ATOM 0 HA ASN A 34 -11.378 0.414 8.567 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -8.532 0.264 9.667 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -9.669 1.534 10.076 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -11.648 -0.439 12.292 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -11.586 1.024 11.304 1.00 2.10 H new ATOM 597 N LEU A 35 -10.719 1.673 6.471 1.00 1.38 N ATOM 598 CA LEU A 35 -10.408 2.638 5.405 1.00 1.34 C ATOM 599 C LEU A 35 -10.136 4.062 5.914 1.00 1.32 C ATOM 600 O LEU A 35 -9.132 4.668 5.544 1.00 1.28 O ATOM 601 CB LEU A 35 -11.558 2.667 4.385 1.00 1.40 C ATOM 602 CG LEU A 35 -11.262 3.370 3.050 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.372 4.878 3.192 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.889 2.988 2.523 1.00 1.52 C ATOM 0 H LEU A 35 -11.657 1.276 6.410 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.483 2.296 4.941 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.854 1.640 4.173 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.415 3.157 4.848 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.010 3.037 2.330 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.158 5.350 2.233 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.381 5.141 3.509 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.656 5.227 3.936 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.707 3.500 1.578 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.128 3.279 3.246 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.846 1.910 2.366 1.00 1.52 H new ATOM 616 N TRP A 36 -11.036 4.595 6.738 1.00 1.37 N ATOM 617 CA TRP A 36 -10.916 5.970 7.247 1.00 1.37 C ATOM 618 C TRP A 36 -9.528 6.278 7.872 1.00 1.32 C ATOM 619 O TRP A 36 -9.048 7.406 7.781 1.00 1.31 O ATOM 620 CB TRP A 36 -12.036 6.263 8.258 1.00 1.45 C ATOM 621 CG TRP A 36 -12.036 5.359 9.454 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.266 4.012 9.470 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.813 5.746 10.814 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.176 3.537 10.754 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.901 4.582 11.597 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.537 6.963 11.441 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.727 4.601 12.979 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -11.367 6.982 12.813 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.459 5.807 13.568 1.00 1.66 C ATOM 0 H TRP A 36 -11.862 4.097 7.072 1.00 1.37 H new ATOM 0 HA TRP A 36 -11.017 6.629 6.385 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.944 7.295 8.597 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.998 6.178 7.752 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.486 3.410 8.601 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.295 2.564 11.036 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -11.458 7.873 10.865 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.801 3.697 13.565 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -11.160 7.918 13.310 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -11.316 5.853 14.637 1.00 1.66 H new ATOM 640 N THR A 37 -8.896 5.273 8.495 1.00 1.32 N ATOM 641 CA THR A 37 -7.573 5.414 9.134 1.00 1.29 C ATOM 642 C THR A 37 -6.435 5.504 8.112 1.00 1.23 C ATOM 643 O THR A 37 -5.639 6.437 8.195 1.00 1.21 O ATOM 644 CB THR A 37 -7.293 4.265 10.116 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.272 4.249 11.132 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.949 4.397 10.835 1.00 1.35 C ATOM 0 H THR A 37 -9.287 4.334 8.572 1.00 1.32 H new ATOM 0 HA THR A 37 -7.607 6.353 9.686 1.00 1.29 H new ATOM 0 HB THR A 37 -7.296 3.360 9.509 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.088 3.513 11.752 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.815 3.554 11.513 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.143 4.405 10.101 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.931 5.326 11.404 1.00 1.35 H new ATOM 654 N MET A 38 -6.352 4.606 7.119 1.00 1.20 N ATOM 655 CA MET A 38 -5.338 4.751 6.051 1.00 1.15 C ATOM 656 C MET A 38 -5.547 6.031 5.221 1.00 1.13 C ATOM 657 O MET A 38 -4.579 6.631 4.759 1.00 1.11 O ATOM 658 CB MET A 38 -5.226 3.508 5.151 1.00 1.14 C ATOM 659 CG MET A 38 -6.510 3.121 4.413 1.00 1.17 C ATOM 660 SD MET A 38 -6.242 2.176 2.888 1.00 1.17 S ATOM 661 CE MET A 38 -7.221 0.684 3.207 1.00 1.25 C ATOM 0 H MET A 38 -6.956 3.789 7.028 1.00 1.20 H new ATOM 0 HA MET A 38 -4.382 4.846 6.565 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.441 3.681 4.415 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.909 2.663 5.763 1.00 1.14 H new ATOM 0 HG2 MET A 38 -7.138 2.534 5.084 1.00 1.17 H new ATOM 0 HG3 MET A 38 -7.063 4.029 4.171 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.325 0.113 2.284 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.719 0.073 3.957 1.00 1.25 H new ATOM 0 HE3 MET A 38 -8.208 0.968 3.572 1.00 1.25 H new ATOM 671 N PHE A 39 -6.802 6.480 5.094 1.00 1.17 N ATOM 672 CA PHE A 39 -7.119 7.768 4.482 1.00 1.19 C ATOM 673 C PHE A 39 -6.557 8.944 5.281 1.00 1.20 C ATOM 674 O PHE A 39 -5.718 9.673 4.755 1.00 1.20 O ATOM 675 CB PHE A 39 -8.626 7.916 4.271 1.00 1.25 C ATOM 676 CG PHE A 39 -8.995 9.262 3.673 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.577 9.587 2.367 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.710 10.209 4.432 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.885 10.841 1.814 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.005 11.471 3.885 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.590 11.788 2.579 1.00 1.44 C ATOM 0 H PHE A 39 -7.620 5.960 5.412 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.632 7.787 3.507 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.979 7.120 3.615 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.138 7.792 5.225 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.017 8.868 1.788 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.032 9.966 5.434 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.582 11.077 0.805 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.551 12.197 4.469 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.813 12.759 2.163 1.00 1.44 H new ATOM 691 N GLN A 40 -6.944 9.130 6.553 1.00 1.24 N ATOM 692 CA GLN A 40 -6.406 10.263 7.329 1.00 1.27 C ATOM 693 C GLN A 40 -4.877 10.178 7.529 1.00 1.25 C ATOM 694 O GLN A 40 -4.213 11.213 7.587 1.00 1.28 O ATOM 695 CB GLN A 40 -7.175 10.430 8.652 1.00 1.33 C ATOM 696 CG GLN A 40 -6.839 9.352 9.691 1.00 1.33 C ATOM 697 CD GLN A 40 -7.878 9.275 10.803 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.703 9.779 11.904 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.992 8.623 10.553 1.00 1.40 N ATOM 0 H GLN A 40 -7.604 8.535 7.054 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.565 11.168 6.743 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.953 11.411 9.072 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.245 10.406 8.447 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.768 8.383 9.196 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.861 9.561 10.125 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.141 8.201 9.636 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.707 8.539 11.276 1.00 1.40 H new ATOM 708 N ALA A 41 -4.303 8.968 7.546 1.00 1.21 N ATOM 709 CA ALA A 41 -2.856 8.767 7.501 1.00 1.20 C ATOM 710 C ALA A 41 -2.249 9.287 6.189 1.00 1.18 C ATOM 711 O ALA A 41 -1.354 10.130 6.227 1.00 1.21 O ATOM 712 CB ALA A 41 -2.546 7.283 7.719 1.00 1.18 C ATOM 0 H ALA A 41 -4.835 8.099 7.592 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.395 9.346 8.301 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.468 7.128 7.686 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.928 6.970 8.691 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -3.021 6.693 6.935 1.00 1.18 H new ATOM 718 N ALA A 42 -2.767 8.878 5.028 1.00 1.14 N ATOM 719 CA ALA A 42 -2.330 9.398 3.732 1.00 1.14 C ATOM 720 C ALA A 42 -2.476 10.925 3.631 1.00 1.20 C ATOM 721 O ALA A 42 -1.587 11.585 3.110 1.00 1.23 O ATOM 722 CB ALA A 42 -3.098 8.687 2.611 1.00 1.11 C ATOM 0 H ALA A 42 -3.503 8.175 4.961 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.265 9.190 3.626 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.773 9.074 1.645 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.901 7.616 2.658 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.166 8.865 2.732 1.00 1.11 H new ATOM 728 N GLN A 43 -3.547 11.497 4.191 1.00 1.23 N ATOM 729 CA GLN A 43 -3.767 12.949 4.172 1.00 1.31 C ATOM 730 C GLN A 43 -2.766 13.708 5.067 1.00 1.35 C ATOM 731 O GLN A 43 -2.456 14.869 4.791 1.00 1.42 O ATOM 732 CB GLN A 43 -5.221 13.285 4.548 1.00 1.35 C ATOM 733 CG GLN A 43 -6.261 12.788 3.523 1.00 1.35 C ATOM 734 CD GLN A 43 -6.027 13.296 2.098 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.817 14.475 1.850 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.035 12.429 1.107 1.00 1.35 N ATOM 0 H GLN A 43 -4.281 10.973 4.667 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.589 13.288 3.151 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.445 12.847 5.520 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.318 14.365 4.655 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.254 11.698 3.514 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.254 13.098 3.849 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.208 11.442 1.295 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.868 12.745 0.152 1.00 1.35 H new ATOM 745 N LYS A 44 -2.203 13.035 6.081 1.00 1.33 N ATOM 746 CA LYS A 44 -1.100 13.591 6.884 1.00 1.39 C ATOM 747 C LYS A 44 0.231 13.460 6.145 1.00 1.39 C ATOM 748 O LYS A 44 0.969 14.438 6.023 1.00 1.45 O ATOM 749 CB LYS A 44 -1.082 12.883 8.250 1.00 1.39 C ATOM 750 CG LYS A 44 -0.134 13.564 9.248 1.00 1.47 C ATOM 751 CD LYS A 44 -0.018 12.796 10.572 1.00 1.49 C ATOM 752 CE LYS A 44 -1.379 12.569 11.246 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.212 11.976 12.595 1.00 1.53 N ATOM 0 H LYS A 44 -2.494 12.100 6.367 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.255 14.658 7.047 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.091 12.869 8.663 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.778 11.845 8.115 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.855 13.657 8.799 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.489 14.575 9.449 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.457 11.832 10.388 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.632 13.347 11.251 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.912 13.516 11.325 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.989 11.910 10.628 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.146 11.833 13.029 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.724 11.061 12.514 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.649 12.618 13.189 1.00 1.53 H new ATOM 767 N LEU A 45 0.483 12.276 5.585 1.00 1.32 N ATOM 768 CA LEU A 45 1.648 12.033 4.724 1.00 1.32 C ATOM 769 C LEU A 45 1.550 12.686 3.304 1.00 1.34 C ATOM 770 O LEU A 45 2.373 12.378 2.439 1.00 1.34 O ATOM 771 CB LEU A 45 1.974 10.508 4.717 1.00 1.27 C ATOM 772 CG LEU A 45 2.585 9.849 5.992 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.723 10.681 6.585 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.585 9.568 7.110 1.00 1.29 C ATOM 0 H LEU A 45 -0.112 11.458 5.713 1.00 1.32 H new ATOM 0 HA LEU A 45 2.503 12.556 5.154 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.051 9.977 4.485 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.663 10.325 3.892 1.00 1.27 H new ATOM 0 HG LEU A 45 2.955 8.893 5.622 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.116 10.181 7.471 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.518 10.789 5.847 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.348 11.666 6.861 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.102 9.110 7.954 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.125 10.503 7.430 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.813 8.890 6.746 1.00 1.29 H new ATOM 786 N GLY A 46 0.592 13.604 3.066 1.00 1.36 N ATOM 787 CA GLY A 46 0.612 14.458 1.848 1.00 1.42 C ATOM 788 C GLY A 46 -0.363 14.097 0.708 1.00 1.40 C ATOM 789 O GLY A 46 -0.124 14.423 -0.459 1.00 1.44 O ATOM 0 H GLY A 46 -0.198 13.777 3.688 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.407 15.484 2.153 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.624 14.442 1.443 1.00 1.42 H new ATOM 793 N GLY A 47 -1.451 13.422 1.071 1.00 1.34 N ATOM 794 CA GLY A 47 -2.378 12.808 0.123 1.00 1.32 C ATOM 795 C GLY A 47 -1.737 11.742 -0.769 1.00 1.28 C ATOM 796 O GLY A 47 -0.517 11.560 -0.801 1.00 1.27 O ATOM 0 H GLY A 47 -1.717 13.284 2.046 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.202 12.357 0.676 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.806 13.587 -0.508 1.00 1.32 H new ATOM 800 N TYR A 48 -2.578 11.064 -1.554 1.00 1.27 N ATOM 801 CA TYR A 48 -2.106 10.146 -2.601 1.00 1.26 C ATOM 802 C TYR A 48 -1.092 10.784 -3.578 1.00 1.32 C ATOM 803 O TYR A 48 -0.305 10.075 -4.206 1.00 1.31 O ATOM 804 CB TYR A 48 -3.319 9.586 -3.352 1.00 1.28 C ATOM 805 CG TYR A 48 -3.023 8.360 -4.198 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.951 7.093 -3.590 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.832 8.484 -5.588 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.724 5.943 -4.369 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.585 7.339 -6.369 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.542 6.066 -5.764 1.00 1.27 C ATOM 811 OH TYR A 48 -2.331 4.964 -6.532 1.00 1.29 O ATOM 0 H TYR A 48 -3.593 11.132 -1.486 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.559 9.341 -2.110 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.094 9.334 -2.628 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.725 10.367 -3.995 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.071 7.003 -2.520 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.875 9.457 -6.054 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.689 4.970 -3.902 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.428 7.436 -7.433 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.228 5.233 -7.469 1.00 1.29 H new ATOM 821 N GLU A 49 -1.067 12.116 -3.694 1.00 1.39 N ATOM 822 CA GLU A 49 -0.186 12.799 -4.654 1.00 1.47 C ATOM 823 C GLU A 49 1.270 12.865 -4.178 1.00 1.46 C ATOM 824 O GLU A 49 2.171 12.479 -4.928 1.00 1.48 O ATOM 825 CB GLU A 49 -0.727 14.204 -4.949 1.00 1.57 C ATOM 826 CG GLU A 49 -1.951 14.118 -5.874 1.00 1.61 C ATOM 827 CD GLU A 49 -2.653 15.475 -6.005 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.115 16.395 -6.669 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.771 15.613 -5.451 1.00 1.72 O ATOM 0 H GLU A 49 -1.646 12.744 -3.136 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.184 12.210 -5.571 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.000 14.699 -4.017 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.049 14.810 -5.416 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.640 13.772 -6.860 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.652 13.381 -5.484 1.00 1.61 H new ATOM 836 N THR A 50 1.527 13.260 -2.922 1.00 1.44 N ATOM 837 CA THR A 50 2.868 13.138 -2.326 1.00 1.45 C ATOM 838 C THR A 50 3.265 11.669 -2.207 1.00 1.37 C ATOM 839 O THR A 50 4.412 11.316 -2.476 1.00 1.40 O ATOM 840 CB THR A 50 2.968 13.815 -0.950 1.00 1.46 C ATOM 841 OG1 THR A 50 2.593 15.173 -1.050 1.00 1.54 O ATOM 842 CG2 THR A 50 4.388 13.806 -0.381 1.00 1.50 C ATOM 0 H THR A 50 0.827 13.665 -2.300 1.00 1.44 H new ATOM 0 HA THR A 50 3.557 13.654 -2.995 1.00 1.45 H new ATOM 0 HB THR A 50 2.308 13.247 -0.294 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.631 15.260 -0.886 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.393 14.298 0.592 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.728 12.777 -0.269 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.055 14.337 -1.060 1.00 1.50 H new ATOM 850 N ILE A 51 2.305 10.792 -1.894 1.00 1.30 N ATOM 851 CA ILE A 51 2.531 9.340 -1.886 1.00 1.24 C ATOM 852 C ILE A 51 3.055 8.827 -3.237 1.00 1.27 C ATOM 853 O ILE A 51 4.023 8.070 -3.264 1.00 1.27 O ATOM 854 CB ILE A 51 1.238 8.633 -1.399 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.342 8.215 0.079 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.825 7.416 -2.234 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.292 9.409 1.044 1.00 1.17 C ATOM 0 H ILE A 51 1.355 11.065 -1.641 1.00 1.30 H new ATOM 0 HA ILE A 51 3.327 9.095 -1.183 1.00 1.24 H new ATOM 0 HB ILE A 51 0.459 9.386 -1.524 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.528 7.529 0.315 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.273 7.670 0.232 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.088 6.985 -1.822 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.648 7.725 -3.264 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.621 6.671 -2.210 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.370 9.051 2.070 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.121 10.084 0.831 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.349 9.941 0.916 1.00 1.17 H new ATOM 869 N THR A 52 2.465 9.259 -4.349 1.00 1.30 N ATOM 870 CA THR A 52 2.905 8.830 -5.691 1.00 1.35 C ATOM 871 C THR A 52 4.225 9.482 -6.096 1.00 1.42 C ATOM 872 O THR A 52 5.076 8.816 -6.691 1.00 1.45 O ATOM 873 CB THR A 52 1.808 9.119 -6.727 1.00 1.39 C ATOM 874 OG1 THR A 52 0.664 8.373 -6.370 1.00 1.34 O ATOM 875 CG2 THR A 52 2.171 8.676 -8.145 1.00 1.45 C ATOM 0 H THR A 52 1.678 9.908 -4.356 1.00 1.30 H new ATOM 0 HA THR A 52 3.080 7.755 -5.655 1.00 1.35 H new ATOM 0 HB THR A 52 1.657 10.198 -6.727 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.193 8.826 -5.639 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.350 8.912 -8.821 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.071 9.199 -8.470 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.352 7.601 -8.155 1.00 1.45 H new ATOM 883 N ALA A 53 4.441 10.742 -5.714 1.00 1.47 N ATOM 884 CA ALA A 53 5.705 11.432 -5.959 1.00 1.55 C ATOM 885 C ALA A 53 6.890 10.888 -5.127 1.00 1.54 C ATOM 886 O ALA A 53 8.039 11.085 -5.537 1.00 1.61 O ATOM 887 CB ALA A 53 5.488 12.926 -5.685 1.00 1.61 C ATOM 0 H ALA A 53 3.747 11.309 -5.228 1.00 1.47 H new ATOM 0 HA ALA A 53 5.987 11.256 -6.997 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.418 13.467 -5.860 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.714 13.309 -6.350 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.177 13.065 -4.649 1.00 1.61 H new ATOM 893 N ARG A 54 6.634 10.219 -3.984 1.00 1.47 N ATOM 894 CA ARG A 54 7.714 9.877 -3.022 1.00 1.49 C ATOM 895 C ARG A 54 7.741 8.426 -2.513 1.00 1.44 C ATOM 896 O ARG A 54 8.690 8.064 -1.819 1.00 1.48 O ATOM 897 CB ARG A 54 7.619 10.827 -1.808 1.00 1.51 C ATOM 898 CG ARG A 54 7.773 12.331 -2.104 1.00 1.59 C ATOM 899 CD ARG A 54 9.156 12.727 -2.648 1.00 1.68 C ATOM 900 NE ARG A 54 10.253 12.390 -1.714 1.00 1.72 N ATOM 901 CZ ARG A 54 10.638 13.068 -0.647 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.063 14.180 -0.278 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.627 12.637 0.082 1.00 1.82 N ATOM 0 H ARG A 54 5.705 9.907 -3.703 1.00 1.47 H new ATOM 0 HA ARG A 54 8.639 9.995 -3.586 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.654 10.670 -1.326 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.385 10.540 -1.088 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.012 12.628 -2.826 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.580 12.892 -1.189 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.326 12.223 -3.599 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.170 13.798 -2.848 1.00 1.68 H new ATOM 0 HE ARG A 54 10.772 11.536 -1.917 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.285 14.556 -0.820 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.391 14.673 0.553 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.108 11.773 -0.170 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.921 13.163 0.905 1.00 1.82 H new ATOM 917 N ARG A 55 6.739 7.594 -2.839 1.00 1.37 N ATOM 918 CA ARG A 55 6.508 6.254 -2.241 1.00 1.32 C ATOM 919 C ARG A 55 6.492 6.358 -0.712 1.00 1.31 C ATOM 920 O ARG A 55 7.239 5.706 0.018 1.00 1.35 O ATOM 921 CB ARG A 55 7.469 5.195 -2.835 1.00 1.37 C ATOM 922 CG ARG A 55 7.622 5.262 -4.370 1.00 1.40 C ATOM 923 CD ARG A 55 6.305 5.142 -5.159 1.00 1.35 C ATOM 924 NE ARG A 55 6.238 6.118 -6.268 1.00 1.40 N ATOM 925 CZ ARG A 55 6.763 6.021 -7.473 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.441 4.979 -7.867 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.609 7.003 -8.310 1.00 1.51 N ATOM 0 H ARG A 55 6.043 7.835 -3.545 1.00 1.37 H new ATOM 0 HA ARG A 55 5.519 5.885 -2.514 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.451 5.317 -2.379 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.111 4.203 -2.561 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.101 6.206 -4.632 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.293 4.465 -4.689 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.211 4.132 -5.558 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.462 5.299 -4.486 1.00 1.35 H new ATOM 0 HE ARG A 55 5.720 6.975 -6.076 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.584 4.194 -7.232 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.829 4.949 -8.810 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.088 7.834 -8.031 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.009 6.943 -9.246 1.00 1.51 H new ATOM 941 N GLN A 56 5.596 7.242 -0.264 1.00 1.28 N ATOM 942 CA GLN A 56 5.511 7.627 1.150 1.00 1.29 C ATOM 943 C GLN A 56 4.684 6.631 1.994 1.00 1.24 C ATOM 944 O GLN A 56 4.559 6.827 3.200 1.00 1.25 O ATOM 945 CB GLN A 56 4.980 9.069 1.276 1.00 1.30 C ATOM 946 CG GLN A 56 5.645 9.885 2.401 1.00 1.37 C ATOM 947 CD GLN A 56 6.936 10.572 1.950 1.00 1.46 C ATOM 948 OE1 GLN A 56 6.915 11.578 1.255 1.00 1.49 O ATOM 949 NE2 GLN A 56 8.106 10.093 2.311 1.00 1.51 N ATOM 0 H GLN A 56 4.915 7.708 -0.863 1.00 1.28 H new ATOM 0 HA GLN A 56 6.520 7.592 1.562 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.132 9.585 0.328 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.905 9.035 1.452 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.944 10.638 2.761 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.864 9.226 3.241 1.00 1.37 H new ATOM 0 HE21 GLN A 56 8.157 9.255 2.891 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.962 10.559 2.011 1.00 1.51 H new ATOM 958 N TRP A 57 4.155 5.541 1.410 1.00 1.19 N ATOM 959 CA TRP A 57 3.456 4.475 2.147 1.00 1.17 C ATOM 960 C TRP A 57 4.281 3.885 3.294 1.00 1.24 C ATOM 961 O TRP A 57 3.714 3.550 4.330 1.00 1.24 O ATOM 962 CB TRP A 57 2.982 3.352 1.216 1.00 1.15 C ATOM 963 CG TRP A 57 1.849 3.726 0.325 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.946 4.105 -0.966 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.431 3.761 0.661 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.685 4.400 -1.442 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.287 4.221 -0.482 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.319 3.468 1.819 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.676 4.413 -0.465 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.713 3.640 1.844 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.386 4.116 0.708 1.00 1.06 C ATOM 0 H TRP A 57 4.201 5.375 0.405 1.00 1.19 H new ATOM 0 HA TRP A 57 2.586 4.961 2.589 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.821 3.030 0.600 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.684 2.496 1.822 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.862 4.167 -1.535 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.495 4.714 -2.394 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.187 3.105 2.701 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.190 4.783 -1.340 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.268 3.405 2.740 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.457 4.254 0.737 1.00 1.06 H new ATOM 982 N LYS A 58 5.595 3.879 3.163 1.00 1.32 N ATOM 983 CA LYS A 58 6.448 3.405 4.244 1.00 1.42 C ATOM 984 C LYS A 58 6.246 4.282 5.494 1.00 1.43 C ATOM 985 O LYS A 58 6.428 3.826 6.622 1.00 1.51 O ATOM 986 CB LYS A 58 7.908 3.436 3.800 1.00 1.54 C ATOM 987 CG LYS A 58 8.154 2.685 2.504 1.00 1.98 C ATOM 988 CD LYS A 58 8.403 1.212 2.747 1.00 2.07 C ATOM 989 CE LYS A 58 8.895 0.526 1.486 1.00 2.58 C ATOM 990 NZ LYS A 58 9.519 -0.795 1.777 1.00 2.89 N ATOM 0 H LYS A 58 6.093 4.193 2.330 1.00 1.32 H new ATOM 0 HA LYS A 58 6.179 2.378 4.493 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.222 4.473 3.677 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.529 3.006 4.585 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.294 2.804 1.846 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.012 3.119 1.990 1.00 1.98 H new ATOM 0 HD2 LYS A 58 9.139 1.091 3.542 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.484 0.736 3.089 1.00 2.07 H new ATOM 0 HE2 LYS A 58 8.060 0.389 0.798 1.00 2.58 H new ATOM 0 HE3 LYS A 58 9.620 1.167 0.984 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 9.841 -1.230 0.889 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 10.331 -0.663 2.413 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 8.820 -1.416 2.233 1.00 2.89 H new ATOM 1004 N HIS A 59 5.894 5.557 5.265 1.00 1.39 N ATOM 1005 CA HIS A 59 5.634 6.519 6.346 1.00 1.40 C ATOM 1006 C HIS A 59 4.231 6.301 6.960 1.00 1.32 C ATOM 1007 O HIS A 59 4.026 6.553 8.145 1.00 1.35 O ATOM 1008 CB HIS A 59 5.858 7.947 5.846 1.00 1.43 C ATOM 1009 CG HIS A 59 7.265 8.172 5.358 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.134 9.069 5.939 1.00 1.81 N ATOM 1011 CD2 HIS A 59 7.959 7.582 4.351 1.00 1.59 C ATOM 1012 CE1 HIS A 59 9.299 9.024 5.310 1.00 1.93 C ATOM 1013 NE2 HIS A 59 9.218 8.127 4.343 1.00 1.79 N ATOM 0 H HIS A 59 5.782 5.948 4.330 1.00 1.39 H new ATOM 0 HA HIS A 59 6.344 6.351 7.155 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.158 8.160 5.038 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.639 8.649 6.651 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.588 6.822 3.679 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.168 9.620 5.547 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.968 7.880 3.697 1.00 1.79 H new ATOM 1022 N ILE A 60 3.258 5.899 6.129 1.00 1.23 N ATOM 1023 CA ILE A 60 1.920 5.516 6.604 1.00 1.20 C ATOM 1024 C ILE A 60 2.104 4.325 7.540 1.00 1.27 C ATOM 1025 O ILE A 60 1.575 4.364 8.640 1.00 1.33 O ATOM 1026 CB ILE A 60 0.930 5.233 5.452 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.576 6.577 4.776 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.337 4.522 5.971 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.234 6.437 3.486 1.00 1.14 C ATOM 0 H ILE A 60 3.374 5.830 5.118 1.00 1.23 H new ATOM 0 HA ILE A 60 1.460 6.346 7.141 1.00 1.20 H new ATOM 0 HB ILE A 60 1.392 4.565 4.725 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.012 7.188 5.481 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.499 7.114 4.556 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -1.016 4.335 5.139 1.00 1.18 H new ATOM 0 HG22 ILE A 60 -0.059 3.574 6.432 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.832 5.153 6.709 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.440 7.426 3.076 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.335 5.855 2.761 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.175 5.930 3.700 1.00 1.14 H new ATOM 1238 N THR A 77 -0.552 -1.625 0.422 1.00 1.35 N ATOM 1239 CA THR A 77 -1.800 -0.883 0.616 1.00 1.39 C ATOM 1240 C THR A 77 -2.076 0.084 -0.542 1.00 1.34 C ATOM 1241 O THR A 77 -3.229 0.422 -0.805 1.00 1.38 O ATOM 1242 CB THR A 77 -1.781 -0.094 1.942 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.264 -0.916 2.995 1.00 1.48 O ATOM 1244 CG2 THR A 77 -3.177 0.381 2.319 1.00 1.49 C ATOM 0 HA THR A 77 -2.598 -1.624 0.649 1.00 1.39 H new ATOM 0 HB THR A 77 -1.140 0.777 1.803 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.570 -1.508 2.637 1.00 1.48 H new ATOM 0 HG21 THR A 77 -3.132 0.934 3.257 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.565 1.030 1.534 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.835 -0.480 2.436 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.013 0.548 -1.209 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.136 1.472 -2.348 1.00 1.25 C ATOM 1254 C ARG A 78 -2.084 0.918 -3.412 1.00 1.30 C ATOM 1255 O ARG A 78 -2.868 1.653 -4.016 1.00 1.29 O ATOM 1256 CB ARG A 78 0.243 1.711 -2.978 1.00 1.25 C ATOM 1257 CG ARG A 78 0.231 2.694 -4.143 1.00 1.33 C ATOM 1258 CD ARG A 78 1.643 3.055 -4.590 1.00 1.40 C ATOM 1259 NE ARG A 78 2.152 2.143 -5.616 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.443 1.851 -5.776 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.355 2.359 -4.955 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.822 1.045 -6.758 1.00 2.42 N ATOM 0 H ARG A 78 -0.051 0.298 -0.979 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.543 2.411 -1.974 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.922 2.082 -2.210 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.643 0.758 -3.324 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.316 2.260 -4.980 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.301 3.599 -3.850 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.650 4.074 -4.977 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.310 3.037 -3.728 1.00 1.40 H new ATOM 0 HE ARG A 78 1.479 1.705 -6.245 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.070 2.977 -4.196 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.341 2.131 -5.084 1.00 2.01 H new ATOM 0 HH21 ARG A 78 3.126 0.649 -7.390 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.809 0.821 -6.881 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.996 -0.388 -3.617 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.802 -1.100 -4.601 1.00 1.45 C ATOM 1278 C ARG A 79 -4.262 -1.273 -4.168 1.00 1.48 C ATOM 1279 O ARG A 79 -5.150 -1.366 -5.016 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.169 -2.454 -4.964 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.725 -2.318 -5.485 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.141 -3.662 -5.942 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.783 -4.156 -7.178 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.559 -5.312 -7.778 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.295 -6.180 -7.312 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.190 -5.621 -8.873 1.00 1.82 N ATOM 0 H ARG A 79 -1.356 -0.991 -3.100 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.817 -0.475 -5.494 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.174 -3.099 -4.086 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.780 -2.944 -5.723 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.706 -1.615 -6.317 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.096 -1.899 -4.700 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.931 -3.553 -6.109 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.266 -4.400 -5.149 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.470 -3.541 -7.613 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.815 -5.976 -6.458 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.443 -7.063 -7.801 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.864 -4.969 -9.275 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.011 -6.515 -9.330 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.520 -1.270 -2.859 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.866 -1.209 -2.289 1.00 1.50 C ATOM 1302 C HIS A 80 -6.429 0.219 -2.386 1.00 1.44 C ATOM 1303 O HIS A 80 -7.504 0.409 -2.947 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.835 -1.743 -0.846 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.263 -3.141 -0.732 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.518 -3.634 0.318 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.384 -4.165 -1.644 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.201 -4.913 0.048 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.703 -5.283 -1.142 1.00 1.74 N ATOM 0 H HIS A 80 -3.785 -1.311 -2.153 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.542 -1.845 -2.860 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.245 -1.066 -0.229 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.848 -1.739 -0.444 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.913 -4.116 -2.584 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.623 -5.554 0.698 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.608 -6.194 -1.590 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.683 1.242 -1.945 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.120 2.649 -1.962 1.00 1.29 C ATOM 1320 C TYR A 81 -6.531 3.132 -3.360 1.00 1.32 C ATOM 1321 O TYR A 81 -7.533 3.841 -3.494 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.997 3.527 -1.383 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.357 4.986 -1.105 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.515 5.901 -2.168 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.476 5.443 0.222 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.812 7.254 -1.907 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.701 6.809 0.487 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.885 7.720 -0.575 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.166 9.025 -0.307 1.00 1.11 O ATOM 0 H TYR A 81 -4.746 1.116 -1.561 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.015 2.731 -1.345 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.654 3.075 -0.452 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.155 3.508 -2.075 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.408 5.562 -3.188 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.394 4.743 1.041 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.984 7.936 -2.727 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.733 7.160 1.508 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.453 9.473 -1.130 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.829 2.701 -4.419 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.087 3.133 -5.794 1.00 1.39 C ATOM 1341 C GLU A 82 -7.397 2.570 -6.366 1.00 1.50 C ATOM 1342 O GLU A 82 -7.802 2.954 -7.467 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.880 2.878 -6.709 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.679 1.419 -7.106 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.649 1.289 -8.242 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.011 1.583 -9.410 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.493 0.873 -7.983 1.00 1.46 O ATOM 0 H GLU A 82 -5.059 2.036 -4.340 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.230 4.213 -5.756 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.995 3.474 -7.614 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.979 3.231 -6.207 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.344 0.847 -6.241 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.630 0.991 -7.423 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.068 1.677 -5.616 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.430 1.231 -5.937 1.00 1.64 C ATOM 1356 C ARG A 83 -10.438 1.420 -4.794 1.00 1.64 C ATOM 1357 O ARG A 83 -11.631 1.232 -5.024 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.418 -0.241 -6.399 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.615 -0.519 -7.677 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.187 0.189 -8.916 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.350 -0.073 -10.104 1.00 1.84 N ATOM 1362 CZ ARG A 83 -7.202 0.515 -10.399 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.762 1.557 -9.760 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.438 0.048 -11.343 1.00 1.82 N ATOM 0 H ARG A 83 -7.681 1.248 -4.775 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.771 1.875 -6.748 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.013 -0.854 -5.594 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.447 -0.563 -6.558 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.584 -0.199 -7.527 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.593 -1.594 -7.858 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.205 -0.156 -9.100 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -9.242 1.262 -8.734 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.690 -0.775 -10.761 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.308 1.955 -8.996 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.870 1.977 -10.022 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.722 -0.781 -11.866 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.555 0.511 -11.561 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.986 1.818 -3.600 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.826 1.800 -2.400 1.00 1.57 C ATOM 1380 C LEU A 84 -11.079 3.206 -1.829 1.00 1.51 C ATOM 1381 O LEU A 84 -11.934 3.366 -0.966 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.122 0.865 -1.401 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.898 0.527 -0.127 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.219 -0.177 -0.412 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.053 -0.392 0.752 1.00 1.61 C ATOM 0 H LEU A 84 -9.038 2.158 -3.440 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.826 1.433 -2.632 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.884 -0.067 -1.914 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.175 1.322 -1.114 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.115 1.472 0.371 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.727 -0.393 0.528 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.849 0.467 -1.026 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.027 -1.109 -0.943 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.604 -0.634 1.661 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.828 -1.310 0.208 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.122 0.111 1.015 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.368 4.227 -2.326 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.713 5.632 -2.035 1.00 1.41 C ATOM 1399 C ILE A 85 -10.172 6.629 -3.058 1.00 1.39 C ATOM 1400 O ILE A 85 -10.786 7.675 -3.218 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.349 6.028 -0.593 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.980 7.395 -0.236 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.836 6.027 -0.359 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.186 7.611 1.264 1.00 1.33 C ATOM 0 H ILE A 85 -9.554 4.111 -2.929 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.798 5.687 -2.127 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.764 5.273 0.075 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.343 8.190 -0.623 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.942 7.483 -0.741 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.627 6.312 0.672 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.439 5.029 -0.547 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.363 6.739 -1.035 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.632 8.591 1.433 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.848 6.839 1.655 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.225 7.557 1.775 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.130 6.311 -3.834 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.743 7.118 -5.000 1.00 1.39 C ATOM 1418 C LEU A 86 -9.937 7.460 -5.934 1.00 1.49 C ATOM 1419 O LEU A 86 -10.032 8.618 -6.351 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.597 6.404 -5.733 1.00 1.37 C ATOM 1421 CG LEU A 86 -7.037 7.122 -6.974 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.521 8.529 -6.659 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.888 6.321 -7.575 1.00 1.40 C ATOM 0 H LEU A 86 -8.536 5.497 -3.676 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.393 8.090 -4.651 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.781 6.251 -5.027 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.946 5.417 -6.036 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.865 7.205 -7.678 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.138 8.988 -7.570 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.335 9.135 -6.262 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.722 8.467 -5.920 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -5.502 6.841 -8.452 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.093 6.215 -6.837 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.246 5.334 -7.867 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.893 6.542 -6.224 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.109 6.892 -6.969 1.00 1.69 C ATOM 1437 C PRO A 87 -13.157 7.703 -6.180 1.00 1.71 C ATOM 1438 O PRO A 87 -14.036 8.287 -6.820 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.692 5.560 -7.455 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.210 4.556 -6.415 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.824 5.088 -6.067 1.00 1.59 C ATOM 0 HA PRO A 87 -11.840 7.566 -7.783 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.780 5.594 -7.505 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.334 5.306 -8.453 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.865 4.527 -5.544 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.168 3.543 -6.816 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.549 4.819 -5.047 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.067 4.661 -6.725 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.096 7.778 -4.839 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.109 8.485 -4.032 1.00 1.66 C ATOM 1451 C TYR A 88 -13.622 9.814 -3.424 1.00 1.59 C ATOM 1452 O TYR A 88 -14.409 10.755 -3.362 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.756 7.532 -3.005 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.159 7.058 -3.379 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.480 6.699 -4.708 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.159 6.978 -2.388 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.782 6.272 -5.038 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.464 6.561 -2.714 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.779 6.202 -4.043 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.035 5.789 -4.370 1.00 2.17 O ATOM 0 H TYR A 88 -12.350 7.355 -4.287 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.893 8.799 -4.721 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.113 6.661 -2.881 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.801 8.035 -2.039 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.722 6.752 -5.476 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.921 7.239 -1.367 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.017 5.998 -6.056 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.224 6.516 -1.948 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.601 5.797 -3.570 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.330 10.000 -3.118 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.784 11.338 -2.791 1.00 1.46 C ATOM 1472 C GLU A 89 -12.014 12.357 -3.936 1.00 1.53 C ATOM 1473 O GLU A 89 -11.964 13.566 -3.723 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.298 11.284 -2.374 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.311 10.938 -3.502 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.851 11.212 -3.086 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.259 10.402 -2.335 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.284 12.244 -3.530 1.00 1.29 O ATOM 0 H GLU A 89 -11.641 9.248 -3.088 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.344 11.691 -1.925 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.020 12.251 -1.954 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.188 10.547 -1.578 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.421 9.888 -3.773 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.553 11.523 -4.389 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.361 11.836 -5.124 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.832 12.652 -6.250 1.00 1.71 C ATOM 1487 C ARG A 90 -13.985 13.607 -5.890 1.00 1.78 C ATOM 1488 O ARG A 90 -13.995 14.727 -6.400 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.193 11.704 -7.410 1.00 1.78 C ATOM 1490 CG ARG A 90 -13.410 12.439 -8.739 1.00 1.89 C ATOM 1491 CD ARG A 90 -13.599 11.435 -9.882 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.766 12.118 -11.179 1.00 2.08 N ATOM 1493 CZ ARG A 90 -13.753 11.556 -12.376 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -13.600 10.272 -12.539 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.895 12.283 -13.446 1.00 2.25 N ATOM 0 H ARG A 90 -12.322 10.838 -5.329 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.027 13.322 -6.552 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -12.397 10.970 -7.533 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.098 11.153 -7.154 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.285 13.085 -8.666 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -12.556 13.082 -8.949 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.738 10.769 -9.929 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -14.472 10.814 -9.682 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.906 13.128 -11.149 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -13.485 9.665 -11.727 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -13.595 9.874 -13.478 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -14.017 13.292 -13.364 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.884 11.843 -14.366 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.908 13.243 -4.985 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.925 14.197 -4.492 1.00 1.84 C ATOM 1511 C PHE A 91 -15.357 15.222 -3.490 1.00 1.78 C ATOM 1512 O PHE A 91 -15.830 16.356 -3.441 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.184 13.488 -3.943 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.061 12.724 -2.631 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.934 13.408 -1.402 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.128 11.317 -2.624 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.773 12.690 -0.203 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.957 10.602 -1.428 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.747 11.288 -0.225 1.00 1.70 C ATOM 0 H PHE A 91 -14.975 12.308 -4.582 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.239 14.768 -5.366 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.963 14.240 -3.819 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.533 12.790 -4.704 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.961 14.487 -1.383 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.312 10.784 -3.545 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.670 13.218 0.733 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.987 9.522 -1.436 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.565 10.737 0.686 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.308 14.865 -2.736 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.683 15.785 -1.763 1.00 1.62 C ATOM 1531 C ILE A 92 -12.851 16.838 -2.507 1.00 1.64 C ATOM 1532 O ILE A 92 -12.902 18.027 -2.202 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.802 15.002 -0.753 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.600 13.865 -0.070 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.222 15.959 0.306 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.779 12.959 0.855 1.00 1.43 C ATOM 0 H ILE A 92 -13.870 13.945 -2.778 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.468 16.289 -1.200 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.981 14.548 -1.308 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.411 14.308 0.507 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.058 13.249 -0.843 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.606 15.396 1.007 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.612 16.717 -0.184 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.037 16.442 0.845 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.427 12.195 1.285 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.984 12.481 0.284 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.342 13.556 1.655 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.129 16.390 -3.536 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.162 17.223 -4.262 1.00 1.66 C ATOM 1550 C LYS A 93 -11.763 17.913 -5.496 1.00 1.78 C ATOM 1551 O LYS A 93 -11.098 18.724 -6.142 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.992 16.291 -4.608 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.679 17.024 -4.908 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.491 16.066 -4.768 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.537 14.927 -5.797 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.447 13.957 -5.554 1.00 1.41 N ATOM 0 H LYS A 93 -12.197 15.437 -3.892 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.830 18.059 -3.646 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.831 15.603 -3.778 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.265 15.687 -5.473 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.706 17.435 -5.917 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.560 17.865 -4.225 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.562 16.623 -4.887 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.483 15.645 -3.763 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.500 14.420 -5.742 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.449 15.336 -6.803 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.422 13.262 -6.327 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.538 14.460 -5.511 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.614 13.466 -4.652 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.033 17.612 -5.786 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.760 18.199 -6.916 1.00 1.97 C ATOM 1572 C GLY A 94 -15.017 18.977 -6.514 1.00 2.05 C ATOM 1573 O GLY A 94 -15.481 19.798 -7.302 1.00 2.15 O ATOM 0 H GLY A 94 -13.588 16.952 -5.241 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -13.090 18.867 -7.458 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -14.043 17.403 -7.605 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.555 18.770 -5.300 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.809 19.401 -4.838 1.00 2.08 C ATOM 1579 C GLU A 95 -16.801 19.815 -3.348 1.00 2.02 C ATOM 1580 O GLU A 95 -17.856 19.987 -2.730 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.024 18.498 -5.160 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.207 18.170 -6.648 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.519 17.400 -6.886 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.575 18.041 -7.117 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.506 16.144 -6.862 1.00 2.26 O ATOM 0 H GLU A 95 -15.131 18.156 -4.605 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.895 20.334 -5.394 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.921 17.564 -4.607 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.928 18.986 -4.796 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.212 19.092 -7.229 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.364 17.576 -7.000 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.615 20.018 -2.760 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.463 20.536 -1.386 1.00 1.90 C ATOM 1594 C GLU A 96 -14.153 21.319 -1.136 1.00 1.87 C ATOM 1595 O GLU A 96 -14.196 22.412 -0.571 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.608 19.381 -0.371 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.748 19.891 1.068 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.047 18.735 2.043 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.242 18.419 2.265 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.094 18.149 2.610 1.00 1.68 O ATOM 0 H GLU A 96 -14.726 19.828 -3.223 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.262 21.264 -1.248 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.480 18.780 -0.629 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.739 18.727 -0.440 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.830 20.395 1.369 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.548 20.629 1.119 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.007 20.773 -1.529 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.738 21.462 -1.297 1.00 1.78 C ATOM 1609 C ASP A 97 -10.617 20.884 -2.151 1.00 1.87 C ATOM 1610 O ASP A 97 -10.551 19.674 -2.366 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.348 21.367 0.180 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.718 22.644 0.697 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.470 23.552 1.113 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.473 22.737 0.687 1.00 2.20 O ATOM 0 H ASP A 97 -12.928 19.872 -2.001 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.879 22.506 -1.578 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.234 21.137 0.772 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.650 20.541 0.316 1.00 1.78 H new