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= -1.64! K(o=-3.2!,f=-0.46) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -1.61! K(o=-3.2!,f=-0.46) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.17) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.08 (180deg=0.558) 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= 0.0166 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.656 (180deg=-0.696) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.185 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.83 K(o=-0.83,f=-0.00014) USER MOD Single : A 37 THR OG1 : rot -0:sc= 0.111 USER MOD Single : A 38 MET CE :methyl 155:sc= -0.209 (180deg=-1.03) USER MOD Single : A 40 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.07) USER MOD Single : A 43 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.563 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.624 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 32:sc= 0.0638 USER MOD Single : A 80 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 81 TYR OH : rot 33:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.824 10.765 12.793 1.00 1.75 N ATOM 2 CA ARG A 1 -14.065 9.301 12.930 1.00 1.74 C ATOM 3 C ARG A 1 -15.397 8.849 12.324 1.00 1.77 C ATOM 4 O ARG A 1 -15.430 8.019 11.407 1.00 1.74 O ATOM 5 CB ARG A 1 -13.877 8.850 14.400 1.00 1.77 C ATOM 6 CG ARG A 1 -13.908 7.324 14.614 1.00 1.77 C ATOM 7 CD ARG A 1 -15.285 6.815 15.068 1.00 1.83 C ATOM 8 NE ARG A 1 -15.312 5.347 15.144 1.00 1.84 N ATOM 9 CZ ARG A 1 -15.008 4.566 16.157 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.608 5.022 17.309 1.00 1.89 N ATOM 11 NH2 ARG A 1 -15.109 3.281 15.999 1.00 1.87 N ATOM 0 H1 ARG A 1 -12.811 10.963 12.916 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.126 11.080 11.849 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.367 11.276 13.518 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.308 8.790 12.335 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -12.925 9.235 14.765 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.659 9.305 15.008 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.629 6.826 13.686 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.161 7.051 15.359 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.528 7.237 16.043 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.050 7.160 14.372 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.607 4.868 14.293 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.519 6.027 17.456 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.384 4.374 18.064 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.418 2.900 15.105 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.879 2.653 16.769 1.00 1.87 H new ATOM 27 N ALA A 2 -16.511 9.357 12.861 1.00 1.84 N ATOM 28 CA ALA A 2 -17.843 8.842 12.532 1.00 1.89 C ATOM 29 C ALA A 2 -18.245 9.063 11.065 1.00 1.88 C ATOM 30 O ALA A 2 -18.847 8.184 10.453 1.00 1.89 O ATOM 31 CB ALA A 2 -18.858 9.474 13.494 1.00 1.97 C ATOM 0 H ALA A 2 -16.516 10.128 13.529 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.826 7.759 12.655 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -19.857 9.103 13.265 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.600 9.211 14.520 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -18.839 10.558 13.382 1.00 1.97 H new ATOM 37 N ASP A 3 -17.866 10.201 10.481 1.00 1.87 N ATOM 38 CA ASP A 3 -18.161 10.501 9.075 1.00 1.88 C ATOM 39 C ASP A 3 -17.303 9.686 8.091 1.00 1.81 C ATOM 40 O ASP A 3 -17.799 9.307 7.033 1.00 1.82 O ATOM 41 CB ASP A 3 -17.964 12.004 8.846 1.00 1.90 C ATOM 42 CG ASP A 3 -18.455 12.450 7.458 1.00 1.92 C ATOM 43 OD1 ASP A 3 -19.683 12.393 7.206 1.00 1.98 O ATOM 44 OD2 ASP A 3 -17.625 12.906 6.636 1.00 1.89 O ATOM 0 H ASP A 3 -17.350 10.937 10.963 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.194 10.214 8.878 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -18.500 12.560 9.615 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -16.908 12.251 8.952 1.00 1.90 H new ATOM 49 N GLU A 4 -16.063 9.332 8.469 1.00 1.74 N ATOM 50 CA GLU A 4 -15.234 8.440 7.645 1.00 1.68 C ATOM 51 C GLU A 4 -15.846 7.040 7.650 1.00 1.69 C ATOM 52 O GLU A 4 -16.048 6.443 6.594 1.00 1.68 O ATOM 53 CB GLU A 4 -13.794 8.371 8.176 1.00 1.62 C ATOM 54 CG GLU A 4 -13.075 9.727 8.240 1.00 1.61 C ATOM 55 CD GLU A 4 -13.162 10.340 9.648 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.245 10.825 10.059 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.164 10.294 10.401 1.00 1.62 O ATOM 0 H GLU A 4 -15.617 9.647 9.331 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.204 8.836 6.630 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -13.809 7.934 9.174 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.218 7.698 7.542 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.029 9.600 7.960 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -13.518 10.410 7.516 1.00 1.61 H new ATOM 64 N GLN A 5 -16.238 6.549 8.833 1.00 1.72 N ATOM 65 CA GLN A 5 -16.928 5.262 8.921 1.00 1.75 C ATOM 66 C GLN A 5 -18.250 5.260 8.134 1.00 1.81 C ATOM 67 O GLN A 5 -18.468 4.360 7.324 1.00 1.81 O ATOM 68 CB GLN A 5 -17.119 4.809 10.374 1.00 1.78 C ATOM 69 CG GLN A 5 -15.780 4.389 11.016 1.00 1.73 C ATOM 70 CD GLN A 5 -15.955 3.230 11.994 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.943 3.390 13.208 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.126 2.019 11.511 1.00 1.77 N ATOM 0 H GLN A 5 -16.091 7.017 9.727 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.281 4.525 8.446 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.563 5.618 10.953 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.818 3.973 10.407 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.077 4.101 10.234 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.345 5.241 11.538 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.138 1.869 10.502 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.246 1.229 12.145 1.00 1.77 H new ATOM 81 N ALA A 6 -19.088 6.291 8.270 1.00 1.86 N ATOM 82 CA ALA A 6 -20.308 6.430 7.473 1.00 1.92 C ATOM 83 C ALA A 6 -20.022 6.419 5.957 1.00 1.90 C ATOM 84 O ALA A 6 -20.626 5.633 5.221 1.00 1.92 O ATOM 85 CB ALA A 6 -21.041 7.707 7.905 1.00 1.98 C ATOM 0 H ALA A 6 -18.940 7.051 8.934 1.00 1.86 H new ATOM 0 HA ALA A 6 -20.948 5.567 7.658 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -21.952 7.820 7.317 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.297 7.639 8.962 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.395 8.570 7.743 1.00 1.98 H new ATOM 91 N PHE A 7 -19.049 7.210 5.483 1.00 1.85 N ATOM 92 CA PHE A 7 -18.701 7.235 4.061 1.00 1.83 C ATOM 93 C PHE A 7 -17.912 6.001 3.593 1.00 1.77 C ATOM 94 O PHE A 7 -17.915 5.722 2.389 1.00 1.78 O ATOM 95 CB PHE A 7 -18.100 8.596 3.648 1.00 1.82 C ATOM 96 CG PHE A 7 -16.609 8.876 3.804 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.657 8.159 3.051 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.180 10.000 4.540 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.305 8.537 3.062 1.00 1.63 C ATOM 100 CE2 PHE A 7 -14.823 10.370 4.568 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.881 9.633 3.832 1.00 1.63 C ATOM 0 H PHE A 7 -18.493 7.838 6.063 1.00 1.85 H new ATOM 0 HA PHE A 7 -19.632 7.148 3.501 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.345 8.747 2.597 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -18.630 9.363 4.212 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.971 7.311 2.460 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -16.903 10.585 5.090 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.587 7.983 2.476 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -14.506 11.220 5.155 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.837 9.907 3.858 1.00 1.63 H new ATOM 111 N LEU A 8 -17.358 5.183 4.510 1.00 1.73 N ATOM 112 CA LEU A 8 -16.772 3.908 4.066 1.00 1.69 C ATOM 113 C LEU A 8 -17.787 2.758 4.162 1.00 1.75 C ATOM 114 O LEU A 8 -17.587 1.730 3.525 1.00 1.73 O ATOM 115 CB LEU A 8 -15.488 3.610 4.865 1.00 1.63 C ATOM 116 CG LEU A 8 -14.205 3.574 4.020 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.138 2.282 3.216 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.015 4.788 3.105 1.00 1.55 C ATOM 0 H LEU A 8 -17.305 5.369 5.511 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.503 3.998 3.014 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.375 4.366 5.642 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.603 2.650 5.369 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.380 3.614 4.731 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.224 2.270 2.622 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.140 1.430 3.896 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.002 2.220 2.554 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.086 4.680 2.546 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -14.852 4.854 2.409 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -13.973 5.695 3.708 1.00 1.55 H new ATOM 130 N VAL A 9 -18.898 2.929 4.896 1.00 1.81 N ATOM 131 CA VAL A 9 -20.043 2.001 4.811 1.00 1.87 C ATOM 132 C VAL A 9 -20.807 2.256 3.504 1.00 1.92 C ATOM 133 O VAL A 9 -21.205 1.310 2.817 1.00 1.94 O ATOM 134 CB VAL A 9 -20.956 2.123 6.052 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.304 1.406 5.887 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.265 1.497 7.272 1.00 1.91 C ATOM 0 H VAL A 9 -19.030 3.698 5.553 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.676 0.975 4.800 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.138 3.190 6.182 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.896 1.531 6.794 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.842 1.833 5.041 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.132 0.344 5.709 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.914 1.586 8.143 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.064 0.444 7.076 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.326 2.016 7.464 1.00 1.91 H new ATOM 146 N ALA A 10 -20.929 3.524 3.098 1.00 1.93 N ATOM 147 CA ALA A 10 -21.437 3.874 1.771 1.00 1.97 C ATOM 148 C ALA A 10 -20.527 3.344 0.644 1.00 1.92 C ATOM 149 O ALA A 10 -21.034 2.720 -0.298 1.00 1.96 O ATOM 150 CB ALA A 10 -21.607 5.396 1.696 1.00 1.99 C ATOM 0 H ALA A 10 -20.681 4.328 3.675 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.404 3.394 1.622 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.985 5.672 0.712 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.313 5.721 2.460 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.644 5.878 1.863 1.00 1.99 H new ATOM 156 N LEU A 11 -19.194 3.504 0.762 1.00 1.84 N ATOM 157 CA LEU A 11 -18.275 2.824 -0.159 1.00 1.80 C ATOM 158 C LEU A 11 -18.418 1.308 -0.079 1.00 1.80 C ATOM 159 O LEU A 11 -18.454 0.688 -1.129 1.00 1.82 O ATOM 160 CB LEU A 11 -16.803 3.214 0.043 1.00 1.71 C ATOM 161 CG LEU A 11 -15.856 2.490 -0.949 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.113 2.823 -2.420 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.412 2.867 -0.660 1.00 1.59 C ATOM 0 H LEU A 11 -18.742 4.084 1.469 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.567 3.163 -1.153 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.696 4.292 -0.078 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.504 2.977 1.064 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.051 1.428 -0.799 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.408 2.275 -3.046 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.131 2.538 -2.685 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.983 3.894 -2.579 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.755 2.354 -1.362 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.289 3.944 -0.769 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.156 2.574 0.358 1.00 1.59 H new ATOM 175 N TYR A 12 -18.520 0.691 1.101 1.00 1.80 N ATOM 176 CA TYR A 12 -18.683 -0.762 1.225 1.00 1.81 C ATOM 177 C TYR A 12 -19.866 -1.271 0.398 1.00 1.89 C ATOM 178 O TYR A 12 -19.702 -2.228 -0.362 1.00 1.89 O ATOM 179 CB TYR A 12 -18.809 -1.185 2.695 1.00 1.82 C ATOM 180 CG TYR A 12 -19.302 -2.607 2.901 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.590 -3.692 2.355 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.516 -2.837 3.585 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.091 -5.004 2.480 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.012 -4.146 3.721 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.304 -5.234 3.166 1.00 1.96 C ATOM 186 OH TYR A 12 -20.792 -6.500 3.280 1.00 2.02 O ATOM 0 H TYR A 12 -18.492 1.181 1.995 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.782 -1.225 0.822 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.836 -1.078 3.175 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.491 -0.501 3.200 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.657 -3.519 1.839 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.064 -2.006 4.004 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.547 -5.833 2.051 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.937 -4.319 4.251 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.634 -6.482 3.782 1.00 2.02 H new ATOM 196 N LYS A 13 -21.021 -0.591 0.464 1.00 1.95 N ATOM 197 CA LYS A 13 -22.150 -0.899 -0.423 1.00 2.03 C ATOM 198 C LYS A 13 -21.780 -0.704 -1.895 1.00 2.02 C ATOM 199 O LYS A 13 -21.877 -1.671 -2.658 1.00 2.05 O ATOM 200 CB LYS A 13 -23.388 -0.094 0.011 1.00 2.10 C ATOM 201 CG LYS A 13 -24.644 -0.503 -0.775 1.00 2.18 C ATOM 202 CD LYS A 13 -25.903 0.272 -0.348 1.00 2.25 C ATOM 203 CE LYS A 13 -26.334 -0.060 1.088 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.600 0.632 1.451 1.00 2.34 N ATOM 0 H LYS A 13 -21.196 0.171 1.119 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.403 -1.955 -0.330 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.562 -0.243 1.077 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.199 0.969 -0.135 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.468 -0.341 -1.839 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.818 -1.570 -0.640 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.713 1.342 -0.429 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.719 0.040 -1.032 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.465 -1.137 1.190 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.546 0.232 1.782 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.863 0.386 2.427 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.467 1.661 1.377 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.357 0.334 0.803 1.00 2.34 H new ATOM 218 N TYR A 14 -21.302 0.478 -2.308 1.00 2.00 N ATOM 219 CA TYR A 14 -20.901 0.664 -3.709 1.00 2.00 C ATOM 220 C TYR A 14 -19.838 -0.318 -4.235 1.00 1.95 C ATOM 221 O TYR A 14 -19.965 -0.811 -5.354 1.00 1.99 O ATOM 222 CB TYR A 14 -20.427 2.115 -3.873 1.00 1.98 C ATOM 223 CG TYR A 14 -20.251 2.550 -5.315 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.381 2.920 -6.072 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.971 2.578 -5.904 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.237 3.313 -7.414 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.824 2.964 -7.252 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.958 3.331 -8.009 1.00 2.09 C ATOM 229 OH TYR A 14 -19.814 3.669 -9.321 1.00 2.13 O ATOM 0 H TYR A 14 -21.186 1.298 -1.712 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.778 0.446 -4.319 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.146 2.777 -3.390 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.479 2.237 -3.350 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.361 2.901 -5.619 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.103 2.304 -5.323 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.105 3.601 -7.989 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.844 2.979 -7.706 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.866 3.631 -9.567 1.00 2.13 H new ATOM 239 N MET A 15 -18.811 -0.652 -3.447 1.00 1.88 N ATOM 240 CA MET A 15 -17.736 -1.546 -3.869 1.00 1.83 C ATOM 241 C MET A 15 -18.181 -3.016 -3.868 1.00 1.86 C ATOM 242 O MET A 15 -17.756 -3.776 -4.739 1.00 1.86 O ATOM 243 CB MET A 15 -16.431 -1.270 -3.115 1.00 1.74 C ATOM 244 CG MET A 15 -16.377 -1.763 -1.671 1.00 1.72 C ATOM 245 SD MET A 15 -14.980 -1.132 -0.695 1.00 1.62 S ATOM 246 CE MET A 15 -13.569 -1.463 -1.789 1.00 1.57 C ATOM 0 H MET A 15 -18.705 -0.306 -2.493 1.00 1.88 H new ATOM 0 HA MET A 15 -17.504 -1.326 -4.911 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.611 -1.730 -3.666 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.253 -0.195 -3.118 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.305 -1.483 -1.172 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.334 -2.852 -1.676 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.663 -1.045 -1.351 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.449 -2.539 -1.913 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.747 -1.004 -2.761 1.00 1.57 H new ATOM 256 N LYS A 16 -19.112 -3.420 -2.983 1.00 1.90 N ATOM 257 CA LYS A 16 -19.772 -4.733 -3.087 1.00 1.96 C ATOM 258 C LYS A 16 -20.617 -4.829 -4.367 1.00 2.03 C ATOM 259 O LYS A 16 -20.560 -5.841 -5.061 1.00 2.05 O ATOM 260 CB LYS A 16 -20.584 -4.993 -1.808 1.00 1.99 C ATOM 261 CG LYS A 16 -21.173 -6.409 -1.771 1.00 2.05 C ATOM 262 CD LYS A 16 -21.510 -6.822 -0.331 1.00 2.07 C ATOM 263 CE LYS A 16 -22.145 -8.215 -0.316 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.164 -8.780 1.056 1.00 2.15 N ATOM 0 H LYS A 16 -19.423 -2.857 -2.191 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.021 -5.519 -3.170 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.945 -4.845 -0.938 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.391 -4.264 -1.738 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.072 -6.450 -2.386 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.462 -7.115 -2.200 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.605 -6.820 0.277 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.193 -6.098 0.112 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.162 -8.158 -0.703 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.589 -8.879 -0.978 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.746 -9.642 1.068 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.194 -9.013 1.349 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.566 -8.082 1.714 1.00 2.15 H new ATOM 278 N GLU A 17 -21.281 -3.736 -4.750 1.00 2.07 N ATOM 279 CA GLU A 17 -21.941 -3.619 -6.068 1.00 2.13 C ATOM 280 C GLU A 17 -20.945 -3.478 -7.256 1.00 2.10 C ATOM 281 O GLU A 17 -21.359 -3.396 -8.414 1.00 2.16 O ATOM 282 CB GLU A 17 -22.940 -2.445 -6.000 1.00 2.18 C ATOM 283 CG GLU A 17 -24.058 -2.512 -7.048 1.00 2.27 C ATOM 284 CD GLU A 17 -25.124 -1.428 -6.790 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.990 -0.299 -7.324 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.111 -1.699 -6.066 1.00 2.37 O ATOM 0 H GLU A 17 -21.381 -2.907 -4.164 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.470 -4.549 -6.276 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.389 -2.421 -5.007 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.394 -1.510 -6.126 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.636 -2.382 -8.044 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.524 -3.497 -7.026 1.00 2.27 H new ATOM 293 N ARG A 18 -19.630 -3.473 -6.979 1.00 2.02 N ATOM 294 CA ARG A 18 -18.573 -3.470 -8.017 1.00 1.99 C ATOM 295 C ARG A 18 -17.662 -4.713 -7.933 1.00 1.95 C ATOM 296 O ARG A 18 -16.545 -4.707 -8.456 1.00 1.90 O ATOM 297 CB ARG A 18 -17.807 -2.121 -8.011 1.00 1.94 C ATOM 298 CG ARG A 18 -18.413 -1.071 -8.962 1.00 2.01 C ATOM 299 CD ARG A 18 -19.668 -0.372 -8.425 1.00 2.06 C ATOM 300 NE ARG A 18 -20.334 0.413 -9.479 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.300 0.003 -10.287 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.802 -1.199 -10.239 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.780 0.815 -11.185 1.00 2.28 N ATOM 0 H ARG A 18 -19.264 -3.471 -6.027 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.050 -3.550 -8.994 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.798 -1.721 -6.997 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.769 -2.299 -8.292 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.657 -0.316 -9.178 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.659 -1.555 -9.907 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.360 -1.115 -8.030 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.396 0.283 -7.597 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.017 1.375 -9.599 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.451 -1.871 -9.557 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.546 -1.467 -10.883 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.412 1.763 -11.264 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.524 0.503 -11.809 1.00 2.28 H new ATOM 317 N LYS A 19 -18.139 -5.795 -7.294 1.00 1.97 N ATOM 318 CA LYS A 19 -17.481 -7.115 -7.162 1.00 1.95 C ATOM 319 C LYS A 19 -16.164 -7.033 -6.381 1.00 1.86 C ATOM 320 O LYS A 19 -15.299 -7.910 -6.485 1.00 1.84 O ATOM 321 CB LYS A 19 -17.344 -7.809 -8.538 1.00 1.99 C ATOM 322 CG LYS A 19 -18.686 -7.947 -9.278 1.00 2.09 C ATOM 323 CD LYS A 19 -18.505 -8.663 -10.623 1.00 2.13 C ATOM 324 CE LYS A 19 -19.849 -8.752 -11.357 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.709 -9.416 -12.680 1.00 2.27 N ATOM 0 H LYS A 19 -19.046 -5.775 -6.828 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.127 -7.753 -6.559 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.650 -7.241 -9.158 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.909 -8.799 -8.398 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.391 -8.502 -8.659 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.117 -6.959 -9.443 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.782 -8.125 -11.236 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.104 -9.663 -10.460 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.562 -9.305 -10.746 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.256 -7.750 -11.494 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.637 -9.458 -13.147 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.048 -8.874 -13.272 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.344 -10.381 -12.547 1.00 2.27 H new ATOM 339 N THR A 20 -16.043 -5.979 -5.568 1.00 1.82 N ATOM 340 CA THR A 20 -14.823 -5.699 -4.809 1.00 1.73 C ATOM 341 C THR A 20 -15.159 -5.299 -3.361 1.00 1.72 C ATOM 342 O THR A 20 -14.793 -4.207 -2.933 1.00 1.68 O ATOM 343 CB THR A 20 -13.944 -4.646 -5.532 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.826 -4.932 -6.912 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.503 -4.606 -5.012 1.00 1.61 C ATOM 0 H THR A 20 -16.787 -5.298 -5.419 1.00 1.82 H new ATOM 0 HA THR A 20 -14.231 -6.612 -4.755 1.00 1.73 H new ATOM 0 HB THR A 20 -14.450 -3.699 -5.344 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.690 -4.786 -7.351 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.940 -3.849 -5.558 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.506 -4.360 -3.950 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.037 -5.580 -5.157 1.00 1.61 H new ATOM 353 N PRO A 21 -15.909 -6.115 -2.589 1.00 1.76 N ATOM 354 CA PRO A 21 -16.288 -5.785 -1.210 1.00 1.76 C ATOM 355 C PRO A 21 -15.082 -5.740 -0.255 1.00 1.69 C ATOM 356 O PRO A 21 -14.062 -6.386 -0.492 1.00 1.66 O ATOM 357 CB PRO A 21 -17.273 -6.887 -0.798 1.00 1.84 C ATOM 358 CG PRO A 21 -16.822 -8.092 -1.619 1.00 1.85 C ATOM 359 CD PRO A 21 -16.393 -7.447 -2.934 1.00 1.82 C ATOM 0 HA PRO A 21 -16.724 -4.788 -1.155 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.225 -7.089 0.272 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.303 -6.610 -1.024 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.001 -8.626 -1.141 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.628 -8.811 -1.763 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.612 -8.032 -3.419 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.229 -7.390 -3.632 1.00 1.82 H new ATOM 367 N ILE A 22 -15.234 -5.070 0.893 1.00 1.68 N ATOM 368 CA ILE A 22 -14.243 -5.150 1.997 1.00 1.64 C ATOM 369 C ILE A 22 -14.088 -6.609 2.501 1.00 1.67 C ATOM 370 O ILE A 22 -13.043 -7.004 3.011 1.00 1.64 O ATOM 371 CB ILE A 22 -14.622 -4.130 3.106 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.520 -2.701 2.534 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.737 -4.273 4.359 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.942 -1.581 3.491 1.00 1.62 C ATOM 0 H ILE A 22 -16.030 -4.464 1.091 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.253 -4.869 1.636 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.646 -4.335 3.420 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.490 -2.524 2.225 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.136 -2.642 1.637 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.041 -3.539 5.105 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.849 -5.276 4.771 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.694 -4.106 4.089 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.833 -0.617 2.994 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.983 -1.724 3.782 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.311 -1.604 4.379 1.00 1.62 H new ATOM 386 N GLU A 23 -15.115 -7.427 2.252 1.00 1.74 N ATOM 387 CA GLU A 23 -15.047 -8.892 2.431 1.00 1.78 C ATOM 388 C GLU A 23 -13.887 -9.601 1.678 1.00 1.75 C ATOM 389 O GLU A 23 -13.581 -10.752 2.004 1.00 1.78 O ATOM 390 CB GLU A 23 -16.394 -9.544 2.078 1.00 1.87 C ATOM 391 CG GLU A 23 -17.547 -9.049 2.960 1.00 1.91 C ATOM 392 CD GLU A 23 -18.838 -9.832 2.667 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.567 -9.465 1.714 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.136 -10.819 3.385 1.00 2.06 O ATOM 0 H GLU A 23 -16.021 -7.098 1.920 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.825 -9.033 3.489 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.628 -9.339 1.034 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.305 -10.626 2.178 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.280 -9.161 4.011 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.714 -7.986 2.785 1.00 1.91 H new ATOM 401 N ARG A 24 -13.190 -8.937 0.730 1.00 1.69 N ATOM 402 CA ARG A 24 -11.942 -9.420 0.083 1.00 1.65 C ATOM 403 C ARG A 24 -10.688 -8.586 0.426 1.00 1.57 C ATOM 404 O ARG A 24 -9.637 -8.762 -0.193 1.00 1.53 O ATOM 405 CB ARG A 24 -12.161 -9.637 -1.434 1.00 1.67 C ATOM 406 CG ARG A 24 -11.960 -8.399 -2.334 1.00 1.62 C ATOM 407 CD ARG A 24 -12.481 -8.624 -3.764 1.00 1.67 C ATOM 408 NE ARG A 24 -11.724 -9.661 -4.489 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.978 -10.126 -5.703 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.977 -9.711 -6.433 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.206 -11.039 -6.221 1.00 1.72 N ATOM 0 H ARG A 24 -13.485 -8.025 0.382 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.715 -10.394 0.517 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.481 -10.419 -1.770 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.174 -10.009 -1.584 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.474 -7.545 -1.893 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.900 -8.148 -2.371 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.532 -8.910 -3.723 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.427 -7.687 -4.318 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.921 -10.062 -4.005 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.608 -8.994 -6.074 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.127 -10.103 -7.362 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.409 -11.393 -5.692 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.399 -11.399 -7.156 1.00 1.72 H new ATOM 425 N ILE A 25 -10.782 -7.708 1.428 1.00 1.55 N ATOM 426 CA ILE A 25 -9.742 -6.772 1.895 1.00 1.48 C ATOM 427 C ILE A 25 -9.586 -6.937 3.428 1.00 1.49 C ATOM 428 O ILE A 25 -10.096 -6.126 4.207 1.00 1.50 O ATOM 429 CB ILE A 25 -10.065 -5.312 1.473 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.522 -5.180 -0.001 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.804 -4.457 1.705 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.937 -3.759 -0.400 1.00 1.45 C ATOM 0 H ILE A 25 -11.640 -7.622 1.973 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.787 -7.005 1.424 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.903 -4.969 2.080 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.712 -5.507 -0.653 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.361 -5.854 -0.172 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.005 -3.426 1.416 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.530 -4.491 2.759 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.983 -4.849 1.104 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.244 -3.750 -1.446 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.769 -3.434 0.225 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.094 -3.082 -0.263 1.00 1.45 H new ATOM 444 N PRO A 26 -9.016 -8.081 3.858 1.00 1.53 N ATOM 445 CA PRO A 26 -8.969 -8.470 5.272 1.00 1.57 C ATOM 446 C PRO A 26 -8.063 -7.698 6.220 1.00 1.52 C ATOM 447 O PRO A 26 -8.495 -7.375 7.327 1.00 1.50 O ATOM 448 CB PRO A 26 -8.550 -9.939 5.228 1.00 1.62 C ATOM 449 CG PRO A 26 -7.842 -10.126 3.932 1.00 1.59 C ATOM 450 CD PRO A 26 -8.352 -9.069 2.991 1.00 1.55 C ATOM 0 HA PRO A 26 -9.946 -8.250 5.703 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.899 -10.184 6.067 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.418 -10.594 5.296 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.764 -10.035 4.066 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.030 -11.122 3.531 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.537 -8.616 2.427 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -9.048 -9.489 2.265 1.00 1.55 H new ATOM 458 N TYR A 27 -6.830 -7.390 5.848 1.00 1.52 N ATOM 459 CA TYR A 27 -5.962 -6.728 6.814 1.00 1.49 C ATOM 460 C TYR A 27 -5.218 -5.507 6.286 1.00 1.38 C ATOM 461 O TYR A 27 -5.398 -5.049 5.162 1.00 1.34 O ATOM 462 CB TYR A 27 -4.908 -7.707 7.363 1.00 1.61 C ATOM 463 CG TYR A 27 -5.241 -9.187 7.265 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.893 -9.928 6.137 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.866 -9.852 8.314 1.00 1.91 C ATOM 466 CE1 TYR A 27 -5.163 -11.284 6.060 1.00 2.09 C ATOM 467 CE2 TYR A 27 -6.129 -11.207 8.247 1.00 2.21 C ATOM 468 CZ TYR A 27 -5.779 -11.916 7.119 1.00 2.29 C ATOM 469 OH TYR A 27 -6.039 -13.264 7.059 1.00 2.75 O ATOM 0 H TYR A 27 -6.421 -7.575 4.932 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.647 -6.385 7.589 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.971 -7.532 6.833 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.731 -7.466 8.411 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.404 -9.436 5.309 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -6.151 -9.300 9.197 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -4.893 -11.843 5.176 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -6.607 -11.708 9.076 1.00 2.21 H new ATOM 0 HH TYR A 27 -6.476 -13.550 7.888 1.00 2.75 H new ATOM 479 N LEU A 28 -4.393 -5.008 7.200 1.00 1.39 N ATOM 480 CA LEU A 28 -3.481 -3.890 7.022 1.00 1.35 C ATOM 481 C LEU A 28 -2.099 -4.491 7.215 1.00 1.35 C ATOM 482 O LEU A 28 -2.019 -5.582 7.785 1.00 1.38 O ATOM 483 CB LEU A 28 -3.750 -2.816 8.076 1.00 1.42 C ATOM 484 CG LEU A 28 -3.333 -1.393 7.712 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.208 -0.840 6.599 1.00 1.58 C ATOM 486 CD2 LEU A 28 -3.397 -0.498 8.942 1.00 1.77 C ATOM 0 H LEU A 28 -4.342 -5.399 8.141 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.591 -3.411 6.049 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.817 -2.814 8.298 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -3.234 -3.100 8.993 1.00 1.42 H new ATOM 0 HG LEU A 28 -2.305 -1.416 7.350 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.891 0.175 6.357 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.113 -1.470 5.715 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.248 -0.828 6.926 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.098 0.514 8.671 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -4.416 -0.484 9.329 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.723 -0.883 9.708 1.00 1.77 H new ATOM 583 N ASN A 34 -8.756 -0.832 9.414 1.00 1.56 N ATOM 584 CA ASN A 34 -8.895 0.503 10.026 1.00 1.58 C ATOM 585 C ASN A 34 -8.663 1.634 9.003 1.00 1.57 C ATOM 586 O ASN A 34 -7.618 2.288 9.001 1.00 1.91 O ATOM 587 CB ASN A 34 -7.924 0.630 11.207 1.00 1.60 C ATOM 588 CG ASN A 34 -8.185 -0.399 12.302 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.260 -0.880 12.959 1.00 2.14 O ATOM 590 ND2 ASN A 34 -9.454 -0.735 12.511 1.00 2.10 N ATOM 0 HA ASN A 34 -9.919 0.607 10.386 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.902 0.517 10.845 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.003 1.631 11.630 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -9.689 -1.413 13.236 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -10.192 -0.315 11.946 1.00 2.10 H new ATOM 597 N LEU A 35 -9.658 1.854 8.147 1.00 1.38 N ATOM 598 CA LEU A 35 -9.571 2.850 7.075 1.00 1.34 C ATOM 599 C LEU A 35 -9.322 4.284 7.559 1.00 1.32 C ATOM 600 O LEU A 35 -8.341 4.906 7.149 1.00 1.28 O ATOM 601 CB LEU A 35 -10.847 2.804 6.233 1.00 1.40 C ATOM 602 CG LEU A 35 -10.787 3.548 4.894 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.097 5.021 5.090 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.426 3.374 4.235 1.00 1.52 C ATOM 0 H LEU A 35 -10.545 1.351 8.174 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.697 2.581 6.482 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.094 1.761 6.037 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.664 3.220 6.822 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.541 3.119 4.234 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.050 5.534 4.129 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.097 5.130 5.511 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.367 5.459 5.771 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.409 3.911 3.287 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.651 3.771 4.891 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.242 2.315 4.055 1.00 1.52 H new ATOM 616 N TRP A 36 -10.215 4.806 8.400 1.00 1.37 N ATOM 617 CA TRP A 36 -10.105 6.187 8.899 1.00 1.37 C ATOM 618 C TRP A 36 -8.720 6.486 9.514 1.00 1.32 C ATOM 619 O TRP A 36 -8.281 7.635 9.529 1.00 1.31 O ATOM 620 CB TRP A 36 -11.210 6.486 9.924 1.00 1.45 C ATOM 621 CG TRP A 36 -11.465 5.370 10.890 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.198 4.242 10.664 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.996 5.279 12.241 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.192 3.442 11.778 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.465 4.058 12.762 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.222 6.107 13.056 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.181 3.645 14.060 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.941 5.698 14.346 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.418 4.475 14.836 1.00 1.66 C ATOM 0 H TRP A 36 -11.025 4.297 8.753 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.227 6.841 8.035 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -10.940 7.382 10.483 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.134 6.710 9.391 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.709 4.012 9.741 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.654 2.536 11.860 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.849 7.050 12.685 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.549 2.704 14.441 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.344 6.331 14.986 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -10.179 4.181 15.847 1.00 1.66 H new ATOM 640 N THR A 37 -8.047 5.446 10.017 1.00 1.32 N ATOM 641 CA THR A 37 -6.714 5.571 10.636 1.00 1.29 C ATOM 642 C THR A 37 -5.602 5.776 9.603 1.00 1.23 C ATOM 643 O THR A 37 -4.829 6.721 9.743 1.00 1.21 O ATOM 644 CB THR A 37 -6.381 4.354 11.516 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.335 4.230 12.547 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.024 4.465 12.215 1.00 1.35 C ATOM 0 H THR A 37 -8.407 4.492 10.009 1.00 1.32 H new ATOM 0 HA THR A 37 -6.761 6.462 11.263 1.00 1.29 H new ATOM 0 HB THR A 37 -6.374 3.500 10.838 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.994 4.951 12.471 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.852 3.574 12.819 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.236 4.554 11.467 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.016 5.346 12.857 1.00 1.35 H new ATOM 654 N MET A 38 -5.518 4.963 8.538 1.00 1.20 N ATOM 655 CA MET A 38 -4.534 5.223 7.464 1.00 1.15 C ATOM 656 C MET A 38 -4.797 6.560 6.746 1.00 1.13 C ATOM 657 O MET A 38 -3.854 7.223 6.315 1.00 1.11 O ATOM 658 CB MET A 38 -4.410 4.061 6.463 1.00 1.14 C ATOM 659 CG MET A 38 -5.700 3.699 5.723 1.00 1.17 C ATOM 660 SD MET A 38 -5.444 2.888 4.122 1.00 1.17 S ATOM 661 CE MET A 38 -6.376 1.349 4.337 1.00 1.25 C ATOM 0 H MET A 38 -6.102 4.139 8.394 1.00 1.20 H new ATOM 0 HA MET A 38 -3.569 5.303 7.964 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.647 4.316 5.727 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.056 3.179 6.997 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.296 3.043 6.357 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.282 4.607 5.567 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.686 0.972 3.362 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.746 0.608 4.829 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.257 1.540 4.949 1.00 1.25 H new ATOM 671 N PHE A 39 -6.064 6.983 6.682 1.00 1.17 N ATOM 672 CA PHE A 39 -6.430 8.307 6.185 1.00 1.19 C ATOM 673 C PHE A 39 -5.879 9.429 7.066 1.00 1.20 C ATOM 674 O PHE A 39 -5.073 10.222 6.583 1.00 1.20 O ATOM 675 CB PHE A 39 -7.944 8.429 6.018 1.00 1.25 C ATOM 676 CG PHE A 39 -8.363 9.809 5.540 1.00 1.30 C ATOM 677 CD1 PHE A 39 -7.984 10.250 4.256 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.084 10.670 6.389 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.338 11.535 3.816 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.425 11.963 5.953 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.049 12.397 4.670 1.00 1.44 C ATOM 0 H PHE A 39 -6.860 6.416 6.973 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.968 8.420 5.204 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.290 7.680 5.306 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.431 8.213 6.969 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.419 9.596 3.608 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.375 10.338 7.375 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.065 11.861 2.823 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.977 12.624 6.605 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.306 13.393 4.340 1.00 1.44 H new ATOM 691 N GLN A 40 -6.241 9.501 8.355 1.00 1.24 N ATOM 692 CA GLN A 40 -5.715 10.581 9.211 1.00 1.27 C ATOM 693 C GLN A 40 -4.182 10.523 9.371 1.00 1.25 C ATOM 694 O GLN A 40 -3.543 11.568 9.499 1.00 1.28 O ATOM 695 CB GLN A 40 -6.457 10.619 10.558 1.00 1.33 C ATOM 696 CG GLN A 40 -6.071 9.470 11.499 1.00 1.33 C ATOM 697 CD GLN A 40 -7.080 9.274 12.623 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.893 9.690 13.757 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.181 8.614 12.343 1.00 1.40 N ATOM 0 H GLN A 40 -6.874 8.849 8.819 1.00 1.24 H new ATOM 0 HA GLN A 40 -5.912 11.526 8.705 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.250 11.568 11.052 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.531 10.583 10.374 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -5.987 8.547 10.925 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.089 9.670 11.927 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.340 8.265 11.398 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.877 8.450 13.071 1.00 1.40 H new ATOM 708 N ALA A 41 -3.574 9.333 9.277 1.00 1.21 N ATOM 709 CA ALA A 41 -2.125 9.176 9.185 1.00 1.20 C ATOM 710 C ALA A 41 -1.562 9.818 7.908 1.00 1.18 C ATOM 711 O ALA A 41 -0.690 10.680 7.995 1.00 1.21 O ATOM 712 CB ALA A 41 -1.771 7.688 9.273 1.00 1.18 C ATOM 0 H ALA A 41 -4.082 8.449 9.263 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.661 9.700 10.021 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.690 7.567 9.205 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.122 7.286 10.223 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.249 7.151 8.454 1.00 1.18 H new ATOM 718 N ALA A 42 -2.096 9.489 6.727 1.00 1.14 N ATOM 719 CA ALA A 42 -1.704 10.125 5.470 1.00 1.14 C ATOM 720 C ALA A 42 -1.892 11.651 5.497 1.00 1.20 C ATOM 721 O ALA A 42 -1.032 12.375 5.013 1.00 1.23 O ATOM 722 CB ALA A 42 -2.478 9.487 4.312 1.00 1.11 C ATOM 0 H ALA A 42 -2.814 8.772 6.618 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.637 9.957 5.325 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.186 9.961 3.375 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.252 8.422 4.266 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.548 9.624 4.470 1.00 1.11 H new ATOM 728 N GLN A 43 -2.964 12.146 6.125 1.00 1.23 N ATOM 729 CA GLN A 43 -3.222 13.588 6.229 1.00 1.31 C ATOM 730 C GLN A 43 -2.220 14.299 7.163 1.00 1.35 C ATOM 731 O GLN A 43 -1.948 15.486 6.975 1.00 1.42 O ATOM 732 CB GLN A 43 -4.675 13.851 6.662 1.00 1.35 C ATOM 733 CG GLN A 43 -5.725 13.409 5.622 1.00 1.35 C ATOM 734 CD GLN A 43 -5.538 14.039 4.238 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.364 15.240 4.082 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.546 13.255 3.181 1.00 1.35 N ATOM 0 H GLN A 43 -3.673 11.565 6.572 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.077 14.014 5.236 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.865 13.329 7.600 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.798 14.916 6.859 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.689 12.324 5.523 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.718 13.662 5.994 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.690 12.251 3.292 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.409 13.651 2.251 1.00 1.35 H new ATOM 745 N LYS A 44 -1.616 13.560 8.105 1.00 1.33 N ATOM 746 CA LYS A 44 -0.511 14.081 8.928 1.00 1.39 C ATOM 747 C LYS A 44 0.807 14.048 8.152 1.00 1.39 C ATOM 748 O LYS A 44 1.515 15.053 8.095 1.00 1.45 O ATOM 749 CB LYS A 44 -0.441 13.266 10.230 1.00 1.39 C ATOM 750 CG LYS A 44 0.510 13.890 11.260 1.00 1.47 C ATOM 751 CD LYS A 44 0.678 13.020 12.514 1.00 1.49 C ATOM 752 CE LYS A 44 -0.661 12.702 13.195 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.447 12.005 14.489 1.00 1.53 N ATOM 0 H LYS A 44 -1.874 12.596 8.317 1.00 1.33 H new ATOM 0 HA LYS A 44 -0.692 15.126 9.181 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.439 13.189 10.661 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.112 12.252 10.003 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.485 14.048 10.799 1.00 1.47 H new ATOM 0 HG3 LYS A 44 0.132 14.870 11.551 1.00 1.47 H new ATOM 0 HD2 LYS A 44 1.173 12.088 12.242 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.329 13.532 13.222 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.216 13.625 13.362 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.268 12.079 12.538 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.367 11.801 14.930 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.063 11.114 14.323 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 0.113 12.612 15.122 1.00 1.53 H new ATOM 767 N LEU A 45 1.076 12.920 7.492 1.00 1.32 N ATOM 768 CA LEU A 45 2.226 12.781 6.589 1.00 1.32 C ATOM 769 C LEU A 45 2.078 13.543 5.231 1.00 1.34 C ATOM 770 O LEU A 45 2.889 13.331 4.326 1.00 1.34 O ATOM 771 CB LEU A 45 2.592 11.271 6.452 1.00 1.27 C ATOM 772 CG LEU A 45 3.249 10.528 7.655 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.379 11.341 8.291 1.00 1.39 C ATOM 774 CD2 LEU A 45 2.283 10.130 8.768 1.00 1.29 C ATOM 0 H LEU A 45 0.506 12.077 7.566 1.00 1.32 H new ATOM 0 HA LEU A 45 3.076 13.292 7.040 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.678 10.735 6.197 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.266 11.174 5.601 1.00 1.27 H new ATOM 0 HG LEU A 45 3.635 9.616 7.199 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.805 10.782 9.124 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.153 11.531 7.548 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.984 12.290 8.655 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.831 9.620 9.560 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.807 11.023 9.173 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.520 9.463 8.366 1.00 1.29 H new ATOM 786 N GLY A 46 1.092 14.450 5.089 1.00 1.36 N ATOM 787 CA GLY A 46 1.061 15.402 3.944 1.00 1.42 C ATOM 788 C GLY A 46 0.069 15.108 2.799 1.00 1.40 C ATOM 789 O GLY A 46 0.272 15.534 1.658 1.00 1.44 O ATOM 0 H GLY A 46 0.313 14.549 5.740 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.836 16.394 4.337 1.00 1.42 H new ATOM 0 HA3 GLY A 46 2.063 15.448 3.517 1.00 1.42 H new ATOM 793 N GLY A 47 -0.992 14.376 3.128 1.00 1.34 N ATOM 794 CA GLY A 47 -1.925 13.814 2.154 1.00 1.32 C ATOM 795 C GLY A 47 -1.277 12.842 1.164 1.00 1.28 C ATOM 796 O GLY A 47 -0.053 12.697 1.091 1.00 1.27 O ATOM 0 H GLY A 47 -1.232 14.153 4.094 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.723 13.297 2.686 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.389 14.629 1.598 1.00 1.32 H new ATOM 800 N TYR A 48 -2.118 12.207 0.345 1.00 1.27 N ATOM 801 CA TYR A 48 -1.647 11.390 -0.784 1.00 1.26 C ATOM 802 C TYR A 48 -0.674 12.134 -1.726 1.00 1.32 C ATOM 803 O TYR A 48 0.118 11.501 -2.428 1.00 1.31 O ATOM 804 CB TYR A 48 -2.862 10.861 -1.552 1.00 1.28 C ATOM 805 CG TYR A 48 -2.554 9.717 -2.502 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.434 8.406 -2.002 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.398 9.957 -3.881 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.196 7.330 -2.877 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.140 8.887 -4.758 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.050 7.570 -4.260 1.00 1.27 C ATOM 811 OH TYR A 48 -1.828 6.541 -5.120 1.00 1.29 O ATOM 0 H TYR A 48 -3.133 12.241 0.440 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.068 10.563 -0.373 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.614 10.530 -0.835 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.302 11.680 -2.120 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.525 8.225 -0.941 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.476 10.963 -4.266 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.125 6.324 -2.491 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.011 9.074 -5.814 1.00 1.33 H new ATOM 0 HH TYR A 48 -1.754 6.888 -6.033 1.00 1.29 H new ATOM 821 N GLU A 49 -0.685 13.472 -1.735 1.00 1.39 N ATOM 822 CA GLU A 49 0.156 14.255 -2.653 1.00 1.47 C ATOM 823 C GLU A 49 1.619 14.322 -2.205 1.00 1.46 C ATOM 824 O GLU A 49 2.512 14.024 -3.003 1.00 1.48 O ATOM 825 CB GLU A 49 -0.431 15.662 -2.822 1.00 1.57 C ATOM 826 CG GLU A 49 -1.671 15.618 -3.723 1.00 1.61 C ATOM 827 CD GLU A 49 -2.412 16.961 -3.728 1.00 1.71 C ATOM 828 OE1 GLU A 49 -1.914 17.947 -4.326 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.519 17.022 -3.142 1.00 1.72 O ATOM 0 H GLU A 49 -1.267 14.037 -1.117 1.00 1.39 H new ATOM 0 HA GLU A 49 0.155 13.743 -3.616 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -0.696 16.072 -1.847 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.318 16.326 -3.254 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.374 15.362 -4.740 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.343 14.832 -3.380 1.00 1.61 H new ATOM 836 N THR A 50 1.894 14.620 -0.926 1.00 1.44 N ATOM 837 CA THR A 50 3.252 14.489 -0.370 1.00 1.45 C ATOM 838 C THR A 50 3.691 13.026 -0.380 1.00 1.37 C ATOM 839 O THR A 50 4.840 12.728 -0.701 1.00 1.40 O ATOM 840 CB THR A 50 3.367 15.054 1.054 1.00 1.46 C ATOM 841 OG1 THR A 50 2.954 16.405 1.073 1.00 1.54 O ATOM 842 CG2 THR A 50 4.800 15.039 1.590 1.00 1.50 C ATOM 0 H THR A 50 1.198 14.952 -0.259 1.00 1.44 H new ATOM 0 HA THR A 50 3.910 15.078 -1.009 1.00 1.45 H new ATOM 0 HB THR A 50 2.739 14.416 1.675 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.994 16.451 1.264 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.815 15.450 2.599 1.00 1.50 H new ATOM 0 HG22 THR A 50 5.170 14.014 1.610 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.437 15.642 0.943 1.00 1.50 H new ATOM 850 N ILE A 51 2.761 12.100 -0.120 1.00 1.30 N ATOM 851 CA ILE A 51 3.025 10.659 -0.235 1.00 1.24 C ATOM 852 C ILE A 51 3.531 10.272 -1.635 1.00 1.27 C ATOM 853 O ILE A 51 4.517 9.546 -1.745 1.00 1.27 O ATOM 854 CB ILE A 51 1.763 9.879 0.219 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.912 9.347 1.656 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.362 8.723 -0.704 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.854 10.456 2.716 1.00 1.17 C ATOM 0 H ILE A 51 1.811 12.325 0.174 1.00 1.30 H new ATOM 0 HA ILE A 51 3.843 10.380 0.429 1.00 1.24 H new ATOM 0 HB ILE A 51 0.962 10.617 0.171 1.00 1.18 H new ATOM 0 HG12 ILE A 51 1.122 8.622 1.853 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.860 8.817 1.745 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.471 8.235 -0.310 1.00 1.15 H new ATOM 0 HG22 ILE A 51 1.153 9.110 -1.701 1.00 1.15 H new ATOM 0 HG23 ILE A 51 2.177 8.001 -0.758 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.965 10.018 3.708 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.661 11.168 2.542 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.895 10.971 2.652 1.00 1.17 H new ATOM 869 N THR A 52 2.904 10.776 -2.695 1.00 1.30 N ATOM 870 CA THR A 52 3.323 10.471 -4.076 1.00 1.35 C ATOM 871 C THR A 52 4.616 11.190 -4.455 1.00 1.42 C ATOM 872 O THR A 52 5.471 10.599 -5.120 1.00 1.45 O ATOM 873 CB THR A 52 2.196 10.811 -5.062 1.00 1.39 C ATOM 874 OG1 THR A 52 1.080 10.008 -4.744 1.00 1.34 O ATOM 875 CG2 THR A 52 2.537 10.496 -6.519 1.00 1.45 C ATOM 0 H THR A 52 2.100 11.401 -2.632 1.00 1.30 H new ATOM 0 HA THR A 52 3.527 9.402 -4.131 1.00 1.35 H new ATOM 0 HB THR A 52 2.017 11.882 -4.970 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.624 10.378 -3.959 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.694 10.763 -7.156 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.414 11.069 -6.820 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.747 9.431 -6.622 1.00 1.45 H new ATOM 883 N ALA A 53 4.808 12.421 -3.976 1.00 1.47 N ATOM 884 CA ALA A 53 6.049 13.163 -4.189 1.00 1.55 C ATOM 885 C ALA A 53 7.266 12.587 -3.430 1.00 1.54 C ATOM 886 O ALA A 53 8.400 12.847 -3.847 1.00 1.61 O ATOM 887 CB ALA A 53 5.798 14.623 -3.790 1.00 1.61 C ATOM 0 H ALA A 53 4.110 12.928 -3.432 1.00 1.47 H new ATOM 0 HA ALA A 53 6.314 13.079 -5.243 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.709 15.203 -3.939 1.00 1.61 H new ATOM 0 HB2 ALA A 53 5.000 15.037 -4.407 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.506 14.668 -2.741 1.00 1.61 H new ATOM 893 N ARG A 54 7.054 11.820 -2.342 1.00 1.47 N ATOM 894 CA ARG A 54 8.163 11.432 -1.433 1.00 1.49 C ATOM 895 C ARG A 54 8.242 9.945 -1.045 1.00 1.44 C ATOM 896 O ARG A 54 9.216 9.555 -0.404 1.00 1.48 O ATOM 897 CB ARG A 54 8.073 12.277 -0.144 1.00 1.51 C ATOM 898 CG ARG A 54 8.181 13.804 -0.319 1.00 1.59 C ATOM 899 CD ARG A 54 9.540 14.281 -0.857 1.00 1.68 C ATOM 900 NE ARG A 54 10.667 13.901 0.022 1.00 1.72 N ATOM 901 CZ ARG A 54 11.059 14.500 1.133 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.464 15.561 1.604 1.00 1.79 N ATOM 903 NH2 ARG A 54 12.075 14.039 1.803 1.00 1.82 N ATOM 0 H ARG A 54 6.140 11.459 -2.069 1.00 1.47 H new ATOM 0 HA ARG A 54 9.071 11.622 -2.005 1.00 1.49 H new ATOM 0 HB2 ARG A 54 7.124 12.055 0.345 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.864 11.954 0.533 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.396 14.137 -0.998 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.995 14.283 0.642 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.701 13.861 -1.850 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.522 15.365 -0.969 1.00 1.68 H new ATOM 0 HE ARG A 54 11.204 13.082 -0.262 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.664 15.958 1.111 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.798 15.993 2.465 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.572 13.212 1.471 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.374 14.504 2.660 1.00 1.82 H new ATOM 917 N ARG A 55 7.253 9.115 -1.416 1.00 1.37 N ATOM 918 CA ARG A 55 7.072 7.725 -0.926 1.00 1.32 C ATOM 919 C ARG A 55 7.089 7.704 0.607 1.00 1.31 C ATOM 920 O ARG A 55 7.869 7.016 1.264 1.00 1.35 O ATOM 921 CB ARG A 55 8.046 6.745 -1.623 1.00 1.37 C ATOM 922 CG ARG A 55 8.162 6.940 -3.151 1.00 1.40 C ATOM 923 CD ARG A 55 6.831 6.848 -3.920 1.00 1.35 C ATOM 924 NE ARG A 55 6.712 7.908 -4.944 1.00 1.40 N ATOM 925 CZ ARG A 55 7.212 7.924 -6.164 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.907 6.938 -6.656 1.00 1.49 N ATOM 927 NH2 ARG A 55 7.012 8.968 -6.913 1.00 1.51 N ATOM 0 H ARG A 55 6.534 9.394 -2.083 1.00 1.37 H new ATOM 0 HA ARG A 55 6.088 7.352 -1.209 1.00 1.32 H new ATOM 0 HB2 ARG A 55 9.035 6.857 -1.179 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.720 5.724 -1.423 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.610 7.914 -3.345 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.846 6.190 -3.547 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.754 5.871 -4.398 1.00 1.35 H new ATOM 0 HD3 ARG A 55 6.000 6.926 -3.219 1.00 1.35 H new ATOM 0 HE ARG A 55 6.175 8.731 -4.672 1.00 1.40 H new ATOM 0 HH11 ARG A 55 8.085 6.107 -6.091 1.00 1.49 H new ATOM 0 HH12 ARG A 55 8.273 6.997 -7.606 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.475 9.758 -6.554 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.392 8.997 -7.859 1.00 1.51 H new ATOM 941 N GLN A 56 6.181 8.523 1.145 1.00 1.28 N ATOM 942 CA GLN A 56 6.119 8.788 2.587 1.00 1.29 C ATOM 943 C GLN A 56 5.338 7.705 3.364 1.00 1.24 C ATOM 944 O GLN A 56 5.236 7.800 4.585 1.00 1.25 O ATOM 945 CB GLN A 56 5.553 10.201 2.842 1.00 1.30 C ATOM 946 CG GLN A 56 6.223 10.942 4.015 1.00 1.37 C ATOM 947 CD GLN A 56 7.485 11.699 3.594 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.421 12.758 2.984 1.00 1.49 O ATOM 949 NE2 GLN A 56 8.675 11.225 3.890 1.00 1.51 N ATOM 0 H GLN A 56 5.474 9.017 0.600 1.00 1.28 H new ATOM 0 HA GLN A 56 7.138 8.746 2.973 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.668 10.796 1.936 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.484 10.123 3.038 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.511 11.644 4.449 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.478 10.224 4.794 1.00 1.37 H new ATOM 0 HE21 GLN A 56 8.761 10.345 4.398 1.00 1.51 H new ATOM 0 HE22 GLN A 56 9.512 11.738 3.612 1.00 1.51 H new ATOM 958 N TRP A 57 4.825 6.652 2.704 1.00 1.19 N ATOM 959 CA TRP A 57 4.171 5.511 3.366 1.00 1.17 C ATOM 960 C TRP A 57 5.037 4.852 4.442 1.00 1.24 C ATOM 961 O TRP A 57 4.504 4.420 5.459 1.00 1.24 O ATOM 962 CB TRP A 57 3.704 4.455 2.357 1.00 1.15 C ATOM 963 CG TRP A 57 2.542 4.867 1.524 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.598 5.352 0.266 1.00 1.11 C ATOM 965 CD2 TRP A 57 1.132 4.836 1.891 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.320 5.649 -0.158 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.376 5.367 0.805 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.416 4.429 3.036 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.017 5.518 0.865 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -0.980 4.559 3.104 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.692 5.107 2.026 1.00 1.06 C ATOM 0 H TRP A 57 4.853 6.569 1.688 1.00 1.19 H new ATOM 0 HA TRP A 57 3.300 5.936 3.865 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.537 4.207 1.699 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.443 3.545 2.897 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.499 5.486 -0.315 1.00 1.11 H new ATOM 0 HE1 TRP A 57 1.099 6.033 -1.077 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.951 4.010 3.875 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.561 5.942 0.034 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.508 4.236 3.989 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.765 5.213 2.090 1.00 1.06 H new ATOM 982 N LYS A 58 6.364 4.877 4.288 1.00 1.32 N ATOM 983 CA LYS A 58 7.250 4.334 5.323 1.00 1.42 C ATOM 984 C LYS A 58 7.038 5.113 6.639 1.00 1.43 C ATOM 985 O LYS A 58 7.170 4.562 7.732 1.00 1.51 O ATOM 986 CB LYS A 58 8.727 4.410 4.885 1.00 1.54 C ATOM 987 CG LYS A 58 9.726 4.349 6.041 1.00 1.98 C ATOM 988 CD LYS A 58 10.490 3.027 6.093 1.00 2.07 C ATOM 989 CE LYS A 58 11.843 3.127 5.391 1.00 2.58 C ATOM 990 NZ LYS A 58 12.868 2.221 5.991 1.00 2.89 N ATOM 0 H LYS A 58 6.842 5.260 3.473 1.00 1.32 H new ATOM 0 HA LYS A 58 7.004 3.284 5.479 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.933 3.590 4.197 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.884 5.336 4.332 1.00 1.54 H new ATOM 0 HG2 LYS A 58 10.436 5.170 5.945 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.195 4.494 6.982 1.00 1.98 H new ATOM 0 HD2 LYS A 58 10.640 2.734 7.132 1.00 2.07 H new ATOM 0 HD3 LYS A 58 9.894 2.244 5.624 1.00 2.07 H new ATOM 0 HE2 LYS A 58 11.720 2.883 4.336 1.00 2.58 H new ATOM 0 HE3 LYS A 58 12.199 4.156 5.440 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 13.767 2.327 5.479 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 13.008 2.469 6.991 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 12.544 1.235 5.921 1.00 2.89 H new ATOM 1004 N HIS A 59 6.698 6.404 6.509 1.00 1.39 N ATOM 1005 CA HIS A 59 6.444 7.283 7.659 1.00 1.40 C ATOM 1006 C HIS A 59 5.054 7.019 8.270 1.00 1.32 C ATOM 1007 O HIS A 59 4.866 7.155 9.475 1.00 1.35 O ATOM 1008 CB HIS A 59 6.629 8.746 7.260 1.00 1.43 C ATOM 1009 CG HIS A 59 8.027 9.059 6.799 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.854 9.951 7.447 1.00 1.81 N ATOM 1011 CD2 HIS A 59 8.745 8.587 5.745 1.00 1.59 C ATOM 1012 CE1 HIS A 59 10.014 10.017 6.816 1.00 1.93 C ATOM 1013 NE2 HIS A 59 9.975 9.197 5.781 1.00 1.79 N ATOM 0 H HIS A 59 6.592 6.867 5.606 1.00 1.39 H new ATOM 0 HA HIS A 59 7.174 7.057 8.436 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.927 8.991 6.463 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.382 9.382 8.110 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.410 7.866 5.014 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.852 10.637 7.099 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.734 9.042 5.117 1.00 1.79 H new ATOM 1022 N ILE A 60 4.072 6.714 7.416 1.00 1.23 N ATOM 1023 CA ILE A 60 2.734 6.299 7.864 1.00 1.20 C ATOM 1024 C ILE A 60 2.914 5.018 8.673 1.00 1.27 C ATOM 1025 O ILE A 60 2.396 4.951 9.776 1.00 1.33 O ATOM 1026 CB ILE A 60 1.731 6.145 6.700 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.386 7.554 6.167 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.459 5.398 7.157 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.561 7.554 4.878 1.00 1.14 C ATOM 0 H ILE A 60 4.178 6.747 6.402 1.00 1.23 H new ATOM 0 HA ILE A 60 2.288 7.074 8.487 1.00 1.20 H new ATOM 0 HB ILE A 60 2.179 5.550 5.905 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.837 8.096 6.936 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.313 8.101 5.992 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.229 5.304 6.317 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.730 4.405 7.517 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.022 5.957 7.960 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.363 8.581 4.573 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.115 7.042 4.091 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.384 7.038 5.051 1.00 1.14 H new ATOM 1238 N THR A 77 -0.207 -1.352 2.823 1.00 1.35 N ATOM 1239 CA THR A 77 -1.277 -0.431 3.208 1.00 1.39 C ATOM 1240 C THR A 77 -1.615 0.516 2.052 1.00 1.34 C ATOM 1241 O THR A 77 -2.755 0.959 1.905 1.00 1.38 O ATOM 1242 CB THR A 77 -0.878 0.404 4.447 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.558 -0.458 5.548 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.001 1.354 4.848 1.00 1.49 C ATOM 0 HA THR A 77 -2.152 -1.033 3.454 1.00 1.39 H new ATOM 0 HB THR A 77 0.001 0.994 4.186 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.174 -1.293 5.209 1.00 1.48 H new ATOM 0 HG21 THR A 77 -1.696 1.930 5.722 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.215 2.033 4.023 1.00 1.49 H new ATOM 0 HG23 THR A 77 -2.896 0.779 5.087 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.605 0.809 1.234 1.00 1.27 N ATOM 1253 CA ARG A 78 -0.744 1.698 0.079 1.00 1.25 C ATOM 1254 C ARG A 78 -1.654 1.088 -0.997 1.00 1.30 C ATOM 1255 O ARG A 78 -2.411 1.796 -1.662 1.00 1.29 O ATOM 1256 CB ARG A 78 0.657 1.968 -0.496 1.00 1.25 C ATOM 1257 CG ARG A 78 0.684 2.712 -1.824 1.00 1.33 C ATOM 1258 CD ARG A 78 2.043 2.559 -2.499 1.00 1.40 C ATOM 1259 NE ARG A 78 2.221 3.471 -3.628 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.399 3.704 -4.211 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.497 3.095 -3.774 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.481 4.546 -5.232 1.00 2.42 N ATOM 0 H ARG A 78 0.337 0.436 1.353 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.209 2.630 0.400 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.227 2.542 0.235 1.00 1.25 H new ATOM 0 HB3 ARG A 78 1.170 1.014 -0.622 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.098 2.327 -2.478 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.471 3.768 -1.659 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.830 2.738 -1.766 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.158 1.532 -2.846 1.00 1.40 H new ATOM 0 HE ARG A 78 1.400 3.956 -3.990 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.442 2.446 -2.989 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.394 3.277 -4.223 1.00 2.01 H new ATOM 0 HH21 ARG A 78 2.643 5.017 -5.573 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.382 4.723 -5.676 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.570 -0.231 -1.147 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.343 -0.967 -2.141 1.00 1.45 C ATOM 1278 C ARG A 79 -3.818 -1.129 -1.757 1.00 1.48 C ATOM 1279 O ARG A 79 -4.674 -1.242 -2.633 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.698 -2.330 -2.450 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.237 -2.206 -2.922 1.00 1.51 C ATOM 1282 CD ARG A 79 0.362 -3.560 -3.326 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.236 -4.085 -4.572 1.00 1.67 N ATOM 1284 CZ ARG A 79 0.009 -5.254 -5.134 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.843 -6.110 -4.618 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.584 -5.590 -6.245 1.00 1.82 N ATOM 0 H ARG A 79 -0.961 -0.821 -0.580 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.327 -0.363 -3.048 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.735 -2.955 -1.558 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.281 -2.837 -3.219 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.188 -1.522 -3.770 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.364 -1.769 -2.125 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.439 -3.454 -3.458 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.209 -4.278 -2.521 1.00 1.59 H new ATOM 0 HE ARG A 79 -0.907 -3.481 -5.047 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.332 -5.887 -3.751 1.00 1.79 H new ATOM 0 HH12 ARG A 79 1.007 -7.004 -5.080 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.242 -4.948 -6.686 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.390 -6.495 -6.673 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.122 -1.094 -0.459 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.487 -1.020 0.062 1.00 1.50 C ATOM 1302 C HIS A 80 -6.044 0.405 -0.089 1.00 1.44 C ATOM 1303 O HIS A 80 -7.100 0.581 -0.693 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.508 -1.519 1.517 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.942 -2.914 1.685 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.235 -3.382 2.771 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.031 -3.959 0.795 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -3.909 -4.666 2.545 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.370 -5.065 1.347 1.00 1.74 N ATOM 0 H HIS A 80 -3.413 -1.117 0.273 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.143 -1.670 -0.517 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.939 -0.827 2.138 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.535 -1.505 1.883 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.525 -3.932 -0.165 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.354 -5.290 3.230 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.261 -5.987 0.925 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.313 1.440 0.353 1.00 1.35 N ATOM 1319 CA TYR A 81 -5.748 2.845 0.287 1.00 1.29 C ATOM 1320 C TYR A 81 -6.109 3.295 -1.135 1.00 1.32 C ATOM 1321 O TYR A 81 -7.104 4.000 -1.323 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.645 3.737 0.885 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.013 5.202 1.114 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.133 6.092 0.025 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.180 5.691 2.424 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.437 7.450 0.243 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.411 7.063 2.649 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.558 7.949 1.558 1.00 1.12 C ATOM 1329 OH TYR A 81 -5.847 9.260 1.786 1.00 1.11 O ATOM 0 H TYR A 81 -4.390 1.324 0.772 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.664 2.941 0.869 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.337 3.308 1.838 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -3.779 3.700 0.224 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -4.991 5.729 -0.982 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.131 5.011 3.261 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.578 8.112 -0.599 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.476 7.439 3.659 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.435 9.594 1.076 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.370 2.838 -2.159 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.580 3.237 -3.551 1.00 1.39 C ATOM 1341 C GLU A 82 -6.868 2.661 -4.156 1.00 1.50 C ATOM 1342 O GLU A 82 -7.234 3.018 -5.280 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.340 2.959 -4.417 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.127 1.491 -4.772 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.057 1.335 -5.867 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.377 1.600 -7.053 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -1.912 0.924 -5.558 1.00 1.46 O ATOM 0 H GLU A 82 -4.604 2.175 -2.038 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.725 4.317 -3.543 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.422 3.534 -5.340 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.457 3.323 -3.891 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -3.824 0.939 -3.882 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.067 1.056 -5.113 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.566 1.786 -3.409 1.00 1.53 N ATOM 1355 CA ARG A 83 -8.917 1.332 -3.767 1.00 1.64 C ATOM 1356 C ARG A 83 -9.964 1.548 -2.667 1.00 1.64 C ATOM 1357 O ARG A 83 -11.148 1.355 -2.935 1.00 1.73 O ATOM 1358 CB ARG A 83 -8.890 -0.150 -4.195 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.041 -0.459 -5.435 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.568 0.219 -6.712 1.00 1.81 C ATOM 1361 NE ARG A 83 -7.690 -0.072 -7.862 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.531 0.509 -8.129 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.114 1.566 -7.500 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -5.735 0.020 -9.034 1.00 1.82 N ATOM 0 H ARG A 83 -7.209 1.377 -2.545 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.228 1.957 -4.604 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.516 -0.745 -3.362 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -9.913 -0.475 -4.385 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.016 -0.135 -5.256 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.013 -1.538 -5.589 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.579 -0.130 -6.923 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.628 1.296 -6.558 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.007 -0.790 -8.514 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -6.687 1.982 -6.766 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.213 1.980 -7.740 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.001 -0.820 -9.547 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -4.845 0.477 -9.231 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.553 1.975 -1.467 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.436 1.987 -0.298 1.00 1.57 C ATOM 1380 C LEU A 84 -10.708 3.406 0.230 1.00 1.51 C ATOM 1381 O LEU A 84 -11.592 3.587 1.058 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.770 1.076 0.747 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.590 0.770 2.001 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.901 0.059 1.687 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.778 -0.128 2.931 1.00 1.61 C ATOM 0 H LEU A 84 -8.610 2.318 -1.281 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.427 1.615 -0.557 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.516 0.132 0.265 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -8.832 1.538 1.056 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.823 1.727 2.468 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.442 -0.133 2.614 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.509 0.687 1.036 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.691 -0.886 1.186 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.361 -0.347 3.826 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.536 -1.059 2.418 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.856 0.380 3.214 1.00 1.61 H new ATOM 1397 N ILE A 85 -9.979 4.414 -0.265 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.333 5.826 -0.021 1.00 1.41 C ATOM 1399 C ILE A 85 -9.754 6.798 -1.048 1.00 1.39 C ATOM 1400 O ILE A 85 -10.363 7.841 -1.255 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.019 6.257 1.424 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.662 7.632 1.724 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.516 6.262 1.711 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.921 7.884 3.210 1.00 1.33 C ATOM 0 H ILE A 85 -9.143 4.284 -0.835 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.414 5.879 -0.153 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.457 5.519 2.096 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.011 8.418 1.340 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.605 7.707 1.183 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.343 6.572 2.742 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.114 5.260 1.561 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.019 6.957 1.035 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.373 8.868 3.339 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.597 7.121 3.596 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -9.978 7.843 3.756 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.686 6.461 -1.778 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.257 7.241 -2.948 1.00 1.39 C ATOM 1418 C LEU A 86 -9.417 7.560 -3.932 1.00 1.49 C ATOM 1419 O LEU A 86 -9.495 8.708 -4.380 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.087 6.509 -3.624 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.481 7.197 -4.861 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -5.976 8.611 -4.561 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.313 6.381 -5.402 1.00 1.40 C ATOM 0 H LEU A 86 -8.099 5.650 -1.580 1.00 1.37 H new ATOM 0 HA LEU A 86 -7.919 8.220 -2.609 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.296 6.371 -2.886 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.427 5.515 -3.916 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.283 7.264 -5.596 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.559 9.049 -5.468 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -6.804 9.226 -4.209 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.205 8.566 -3.792 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -4.895 6.880 -6.276 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.545 6.291 -4.634 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -5.663 5.388 -5.684 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.362 6.636 -4.234 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.550 6.968 -5.030 1.00 1.69 C ATOM 1437 C PRO A 87 -12.626 7.799 -4.299 1.00 1.71 C ATOM 1438 O PRO A 87 -13.481 8.366 -4.984 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.118 5.624 -5.505 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.674 4.646 -4.424 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.301 5.186 -4.040 1.00 1.59 C ATOM 0 HA PRO A 87 -11.251 7.622 -5.849 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.204 5.657 -5.595 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -11.726 5.346 -6.483 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.359 4.638 -3.576 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.619 3.624 -4.798 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.062 4.942 -3.005 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.521 4.743 -4.660 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.612 7.904 -2.958 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.653 8.632 -2.204 1.00 1.66 C ATOM 1451 C TYR A 88 -13.186 9.974 -1.612 1.00 1.59 C ATOM 1452 O TYR A 88 -13.973 10.916 -1.601 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.336 7.704 -1.179 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.726 7.221 -1.592 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.001 6.830 -2.922 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -16.760 7.164 -0.635 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.290 6.396 -3.288 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.053 6.740 -0.998 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.322 6.350 -2.327 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.566 5.928 -2.689 1.00 2.17 O ATOM 0 H TYR A 88 -11.888 7.492 -2.370 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.412 8.931 -2.927 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.698 6.836 -1.011 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.415 8.230 -0.228 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.217 6.864 -3.664 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.558 7.448 0.387 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.489 6.098 -4.307 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -18.839 6.713 -0.258 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.160 5.955 -1.910 1.00 2.17 H new ATOM 1470 N GLU A 89 -11.906 10.167 -1.265 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.371 11.512 -0.951 1.00 1.46 C ATOM 1472 C GLU A 89 -11.558 12.503 -2.128 1.00 1.53 C ATOM 1473 O GLU A 89 -11.515 13.718 -1.943 1.00 1.55 O ATOM 1474 CB GLU A 89 -9.900 11.469 -0.481 1.00 1.36 C ATOM 1475 CG GLU A 89 -8.874 11.096 -1.565 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.429 11.379 -1.104 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -6.866 10.588 -0.312 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -6.845 12.400 -1.551 1.00 1.29 O ATOM 0 H GLU A 89 -11.219 9.416 -1.193 1.00 1.50 H new ATOM 0 HA GLU A 89 -11.961 11.884 -0.114 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -9.637 12.446 -0.076 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -9.818 10.752 0.336 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -8.976 10.040 -1.815 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.083 11.660 -2.474 1.00 1.35 H new ATOM 1485 N ARG A 90 -11.863 11.955 -3.314 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.292 12.744 -4.476 1.00 1.71 C ATOM 1487 C ARG A 90 -13.457 13.707 -4.180 1.00 1.78 C ATOM 1488 O ARG A 90 -13.448 14.815 -4.717 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.613 11.768 -5.625 1.00 1.78 C ATOM 1490 CG ARG A 90 -12.782 12.471 -6.978 1.00 1.89 C ATOM 1491 CD ARG A 90 -12.932 11.440 -8.103 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.052 12.091 -9.421 1.00 2.08 N ATOM 1493 CZ ARG A 90 -12.997 11.501 -10.601 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -12.840 10.213 -10.730 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.101 12.202 -11.694 1.00 2.25 N ATOM 0 H ARG A 90 -11.819 10.952 -3.493 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.476 13.406 -4.765 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -11.814 11.031 -5.702 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.527 11.224 -5.388 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -13.658 13.119 -6.951 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -11.920 13.109 -7.174 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.070 10.772 -8.103 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -13.812 10.824 -7.919 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.192 13.101 -9.421 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -12.755 9.624 -9.902 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -12.802 9.794 -11.659 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -13.226 13.213 -11.642 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.058 11.740 -12.602 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.412 13.365 -3.299 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.445 14.330 -2.867 1.00 1.84 C ATOM 1511 C PHE A 91 -14.911 15.379 -1.870 1.00 1.78 C ATOM 1512 O PHE A 91 -15.385 16.514 -1.865 1.00 1.84 O ATOM 1513 CB PHE A 91 -16.722 13.635 -2.347 1.00 1.89 C ATOM 1514 CG PHE A 91 -16.648 12.903 -1.012 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.563 13.617 0.203 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -16.717 11.496 -0.974 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.447 12.928 1.424 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.589 10.811 0.244 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.422 11.526 1.437 1.00 1.70 C ATOM 0 H PHE A 91 -14.493 12.441 -2.875 1.00 1.78 H new ATOM 0 HA PHE A 91 -15.728 14.880 -3.765 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.505 14.390 -2.271 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.043 12.918 -3.103 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.587 14.697 0.195 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -16.869 10.941 -1.888 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.377 13.478 2.351 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.619 9.732 0.262 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.274 10.997 2.367 1.00 1.70 H new ATOM 1529 N ILE A 92 -13.890 15.040 -1.071 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.301 15.983 -0.098 1.00 1.62 C ATOM 1531 C ILE A 92 -12.440 17.017 -0.837 1.00 1.64 C ATOM 1532 O ILE A 92 -12.502 18.214 -0.564 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.456 15.224 0.962 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.278 14.104 1.642 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -11.913 16.207 2.017 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.493 13.221 2.618 1.00 1.43 C ATOM 0 H ILE A 92 -13.451 14.119 -1.076 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.106 16.500 0.424 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.616 14.756 0.448 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.110 14.560 2.178 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -13.708 13.469 0.867 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.323 15.661 2.753 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.285 16.953 1.530 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -12.746 16.703 2.515 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.157 12.467 3.042 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.677 12.729 2.088 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.086 13.837 3.419 1.00 1.43 H new ATOM 1548 N LYS A 93 -11.683 16.546 -1.829 1.00 1.63 N ATOM 1549 CA LYS A 93 -10.689 17.361 -2.541 1.00 1.66 C ATOM 1550 C LYS A 93 -11.246 18.021 -3.811 1.00 1.78 C ATOM 1551 O LYS A 93 -10.557 18.815 -4.452 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.509 16.420 -2.822 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.186 17.146 -3.092 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.005 16.190 -2.888 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.015 15.029 -3.889 1.00 1.50 C ATOM 1556 NZ LYS A 93 -5.936 14.064 -3.585 1.00 1.41 N ATOM 0 H LYS A 93 -11.740 15.585 -2.165 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.377 18.212 -1.935 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.379 15.752 -1.970 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -9.752 15.796 -3.682 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.177 17.534 -4.111 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.090 18.002 -2.424 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.071 16.744 -2.987 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.034 15.792 -1.874 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -7.980 14.524 -3.857 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -6.890 15.414 -4.901 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -5.817 13.412 -4.387 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.047 14.578 -3.421 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.185 13.522 -2.733 1.00 1.41 H new ATOM 1570 N GLY A 94 -12.505 17.713 -4.138 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.191 18.272 -5.307 1.00 1.97 C ATOM 1572 C GLY A 94 -14.461 19.060 -4.969 1.00 2.05 C ATOM 1573 O GLY A 94 -14.896 19.862 -5.792 1.00 2.15 O ATOM 0 H GLY A 94 -13.079 17.066 -3.597 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -12.502 18.926 -5.841 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -13.450 17.460 -5.986 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.041 18.883 -3.771 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.311 19.524 -3.367 1.00 2.08 C ATOM 1579 C GLU A 95 -16.356 19.975 -1.889 1.00 2.02 C ATOM 1580 O GLU A 95 -17.431 20.163 -1.315 1.00 2.07 O ATOM 1581 CB GLU A 95 -17.514 18.615 -3.712 1.00 2.13 C ATOM 1582 CG GLU A 95 -17.645 18.250 -5.197 1.00 2.21 C ATOM 1583 CD GLU A 95 -18.947 17.476 -5.463 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -19.995 18.112 -5.746 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -18.938 16.221 -5.407 1.00 2.26 O ATOM 0 H GLU A 95 -14.641 18.287 -3.047 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.377 20.444 -3.947 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.433 17.695 -3.133 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.430 19.113 -3.393 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -17.628 19.157 -5.801 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -16.790 17.647 -5.503 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.191 20.192 -1.265 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.086 20.743 0.100 1.00 1.90 C ATOM 1594 C GLU A 96 -13.786 21.531 0.379 1.00 1.87 C ATOM 1595 O GLU A 96 -13.848 22.638 0.916 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.269 19.613 1.137 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.459 20.157 2.559 1.00 1.81 C ATOM 1598 CD GLU A 96 -15.794 19.024 3.549 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -16.997 18.714 3.736 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -14.863 18.452 4.164 1.00 1.68 O ATOM 0 H GLU A 96 -14.287 19.990 -1.692 1.00 1.94 H new ATOM 0 HA GLU A 96 -15.888 21.476 0.190 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.133 19.007 0.863 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.399 18.957 1.114 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.551 20.668 2.880 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.260 20.897 2.564 1.00 1.81 H new ATOM 1607 N ASP A 97 -12.641 20.982 -0.003 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.367 21.649 0.243 1.00 1.78 C ATOM 1609 C ASP A 97 -10.935 22.525 -0.933 1.00 1.87 C ATOM 1610 O ASP A 97 -11.472 23.615 -1.136 1.00 2.33 O ATOM 1611 CB ASP A 97 -10.281 20.620 0.567 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.386 20.093 1.985 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.403 19.443 2.301 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.454 20.334 2.780 1.00 2.20 O ATOM 0 H ASP A 97 -12.566 20.084 -0.481 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.507 22.306 1.101 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -10.353 19.788 -0.133 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -9.300 21.074 0.423 1.00 1.78 H new