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= -0.16 X(o=-0.38,f=-0.36) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.217 X(o=-0.38,f=-0.36) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 157:sc= 1.27 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -162:sc= 1.1 (180deg=0.535) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0104 USER MOD Single : A 15 MET CE :methyl 178:sc= -0.684 (180deg=-0.714) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 68:sc= 0.194 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0159 F(o=-1.2,f=-0.016) USER MOD Single : A 37 THR OG1 : rot -2:sc= 0.0413 USER MOD Single : A 38 MET CE :methyl 180:sc= -0.0742 (180deg=-0.0742) USER MOD Single : A 40 GLN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.559 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.618 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 15:sc= 0.426 USER MOD Single : A 80 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.062) USER MOD Single : A 81 TYR OH : rot 28:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 5:sc= 0.134 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 2.41 (180deg=2.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -12.276 11.196 13.078 1.00 1.75 N ATOM 2 CA ARG A 1 -12.349 9.737 13.367 1.00 1.74 C ATOM 3 C ARG A 1 -13.655 9.092 12.895 1.00 1.77 C ATOM 4 O ARG A 1 -13.647 8.174 12.064 1.00 1.74 O ATOM 5 CB ARG A 1 -12.033 9.459 14.858 1.00 1.77 C ATOM 6 CG ARG A 1 -11.886 7.967 15.218 1.00 1.77 C ATOM 7 CD ARG A 1 -13.173 7.368 15.805 1.00 1.83 C ATOM 8 NE ARG A 1 -13.037 5.920 16.022 1.00 1.84 N ATOM 9 CZ ARG A 1 -12.594 5.281 17.084 1.00 1.86 C ATOM 10 NH1 ARG A 1 -12.185 5.890 18.159 1.00 1.89 N ATOM 11 NH2 ARG A 1 -12.564 3.984 17.056 1.00 1.87 N ATOM 0 H1 ARG A 1 -11.287 11.512 13.132 1.00 1.75 H new ATOM 0 H2 ARG A 1 -12.646 11.380 12.124 1.00 1.75 H new ATOM 0 H3 ARG A 1 -12.844 11.717 13.776 1.00 1.75 H new ATOM 0 HA ARG A 1 -11.576 9.248 12.774 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -11.110 9.975 15.122 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -12.825 9.890 15.470 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -11.605 7.408 14.325 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -11.075 7.849 15.937 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -13.408 7.859 16.749 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -14.007 7.560 15.130 1.00 1.83 H new ATOM 0 HE ARG A 1 -13.326 5.329 15.242 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -12.199 6.909 18.204 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -11.851 5.348 18.956 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -12.879 3.484 16.224 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -12.225 3.464 17.866 1.00 1.87 H new ATOM 27 N ALA A 2 -14.785 9.535 13.453 1.00 1.84 N ATOM 28 CA ALA A 2 -16.070 8.854 13.262 1.00 1.89 C ATOM 29 C ALA A 2 -16.574 8.883 11.809 1.00 1.88 C ATOM 30 O ALA A 2 -17.109 7.890 11.323 1.00 1.89 O ATOM 31 CB ALA A 2 -17.094 9.473 14.221 1.00 1.97 C ATOM 0 H ALA A 2 -14.836 10.365 14.043 1.00 1.84 H new ATOM 0 HA ALA A 2 -15.928 7.797 13.487 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -18.057 8.979 14.093 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -16.754 9.345 15.249 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -17.200 10.536 14.004 1.00 1.97 H new ATOM 37 N ASP A 3 -16.352 9.990 11.096 1.00 1.87 N ATOM 38 CA ASP A 3 -16.754 10.114 9.690 1.00 1.88 C ATOM 39 C ASP A 3 -15.868 9.295 8.736 1.00 1.81 C ATOM 40 O ASP A 3 -16.377 8.762 7.751 1.00 1.82 O ATOM 41 CB ASP A 3 -16.734 11.599 9.307 1.00 1.90 C ATOM 42 CG ASP A 3 -17.346 11.849 7.918 1.00 1.92 C ATOM 43 OD1 ASP A 3 -18.573 11.640 7.753 1.00 1.98 O ATOM 44 OD2 ASP A 3 -16.616 12.302 7.004 1.00 1.89 O ATOM 0 H ASP A 3 -15.893 10.820 11.472 1.00 1.87 H new ATOM 0 HA ASP A 3 -17.759 9.705 9.587 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -17.284 12.172 10.053 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -15.706 11.962 9.320 1.00 1.90 H new ATOM 49 N GLU A 4 -14.579 9.111 9.062 1.00 1.74 N ATOM 50 CA GLU A 4 -13.703 8.230 8.275 1.00 1.68 C ATOM 51 C GLU A 4 -14.160 6.782 8.452 1.00 1.69 C ATOM 52 O GLU A 4 -14.353 6.062 7.473 1.00 1.68 O ATOM 53 CB GLU A 4 -12.238 8.362 8.716 1.00 1.62 C ATOM 54 CG GLU A 4 -11.669 9.785 8.605 1.00 1.61 C ATOM 55 CD GLU A 4 -11.745 10.525 9.951 1.00 1.65 C ATOM 56 OE1 GLU A 4 -12.850 10.936 10.382 1.00 1.71 O ATOM 57 OE2 GLU A 4 -10.708 10.659 10.637 1.00 1.62 O ATOM 0 H GLU A 4 -14.123 9.557 9.858 1.00 1.74 H new ATOM 0 HA GLU A 4 -13.769 8.523 7.227 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -12.151 8.028 9.750 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -11.627 7.691 8.112 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -10.632 9.739 8.271 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -12.223 10.342 7.850 1.00 1.61 H new ATOM 64 N GLN A 5 -14.430 6.376 9.699 1.00 1.72 N ATOM 65 CA GLN A 5 -14.971 5.040 9.954 1.00 1.75 C ATOM 66 C GLN A 5 -16.325 4.823 9.258 1.00 1.81 C ATOM 67 O GLN A 5 -16.488 3.828 8.553 1.00 1.81 O ATOM 68 CB GLN A 5 -15.031 4.719 11.453 1.00 1.78 C ATOM 69 CG GLN A 5 -13.623 4.505 12.044 1.00 1.73 C ATOM 70 CD GLN A 5 -13.616 3.440 13.137 1.00 1.77 C ATOM 71 OE1 GLN A 5 -13.556 3.722 14.327 1.00 1.80 O ATOM 72 NE2 GLN A 5 -13.681 2.175 12.782 1.00 1.77 N ATOM 0 H GLN A 5 -14.285 6.945 10.533 1.00 1.72 H new ATOM 0 HA GLN A 5 -14.275 4.328 9.511 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -15.528 5.533 11.981 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -15.632 3.824 11.610 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -12.937 4.213 11.249 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -13.255 5.446 12.453 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -13.731 1.924 11.795 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -13.681 1.445 13.494 1.00 1.77 H new ATOM 81 N ALA A 6 -17.262 5.771 9.350 1.00 1.86 N ATOM 82 CA ALA A 6 -18.532 5.703 8.624 1.00 1.92 C ATOM 83 C ALA A 6 -18.328 5.568 7.101 1.00 1.90 C ATOM 84 O ALA A 6 -18.882 4.652 6.483 1.00 1.92 O ATOM 85 CB ALA A 6 -19.373 6.935 8.980 1.00 1.98 C ATOM 0 H ALA A 6 -17.161 6.605 9.929 1.00 1.86 H new ATOM 0 HA ALA A 6 -19.065 4.803 8.930 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -20.322 6.895 8.445 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -19.562 6.949 10.053 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -18.834 7.838 8.695 1.00 1.98 H new ATOM 91 N PHE A 7 -17.475 6.402 6.491 1.00 1.85 N ATOM 92 CA PHE A 7 -17.209 6.319 5.055 1.00 1.83 C ATOM 93 C PHE A 7 -16.318 5.131 4.656 1.00 1.77 C ATOM 94 O PHE A 7 -16.356 4.733 3.486 1.00 1.78 O ATOM 95 CB PHE A 7 -16.782 7.685 4.475 1.00 1.82 C ATOM 96 CG PHE A 7 -15.325 8.132 4.508 1.00 1.75 C ATOM 97 CD1 PHE A 7 -14.343 7.443 3.765 1.00 1.69 C ATOM 98 CD2 PHE A 7 -14.982 9.362 5.105 1.00 1.75 C ATOM 99 CE1 PHE A 7 -13.042 7.958 3.653 1.00 1.63 C ATOM 100 CE2 PHE A 7 -13.673 9.870 5.008 1.00 1.69 C ATOM 101 CZ PHE A 7 -12.697 9.164 4.286 1.00 1.63 C ATOM 0 H PHE A 7 -16.960 7.140 6.972 1.00 1.85 H new ATOM 0 HA PHE A 7 -18.155 6.082 4.568 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -17.097 7.701 3.432 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -17.362 8.448 4.995 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -14.594 6.512 3.279 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -15.733 9.921 5.643 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -12.301 7.424 3.076 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -13.419 10.803 5.489 1.00 1.69 H new ATOM 0 HZ PHE A 7 -11.689 9.545 4.218 1.00 1.63 H new ATOM 111 N LEU A 8 -15.629 4.472 5.608 1.00 1.73 N ATOM 112 CA LEU A 8 -14.933 3.225 5.250 1.00 1.69 C ATOM 113 C LEU A 8 -15.811 1.993 5.521 1.00 1.75 C ATOM 114 O LEU A 8 -15.535 0.932 4.971 1.00 1.73 O ATOM 115 CB LEU A 8 -13.583 3.143 5.988 1.00 1.63 C ATOM 116 CG LEU A 8 -12.351 3.155 5.069 1.00 1.56 C ATOM 117 CD1 LEU A 8 -12.189 1.800 4.390 1.00 1.55 C ATOM 118 CD2 LEU A 8 -12.344 4.282 4.032 1.00 1.55 C ATOM 0 H LEU A 8 -15.541 4.764 6.581 1.00 1.73 H new ATOM 0 HA LEU A 8 -14.733 3.234 4.179 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -13.511 3.981 6.681 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -13.565 2.232 6.586 1.00 1.63 H new ATOM 0 HG LEU A 8 -11.498 3.354 5.717 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -11.313 1.820 3.742 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -12.062 1.026 5.147 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -13.076 1.583 3.795 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -11.440 4.214 3.427 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -13.219 4.190 3.388 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -12.369 5.245 4.541 1.00 1.55 H new ATOM 130 N VAL A 9 -16.891 2.122 6.305 1.00 1.81 N ATOM 131 CA VAL A 9 -17.932 1.078 6.384 1.00 1.87 C ATOM 132 C VAL A 9 -18.789 1.119 5.110 1.00 1.92 C ATOM 133 O VAL A 9 -19.118 0.072 4.543 1.00 1.94 O ATOM 134 CB VAL A 9 -18.783 1.230 7.663 1.00 1.93 C ATOM 135 CG1 VAL A 9 -20.053 0.366 7.655 1.00 2.01 C ATOM 136 CG2 VAL A 9 -17.964 0.805 8.890 1.00 1.91 C ATOM 0 H VAL A 9 -17.069 2.936 6.894 1.00 1.81 H new ATOM 0 HA VAL A 9 -17.457 0.099 6.448 1.00 1.87 H new ATOM 0 HB VAL A 9 -19.072 2.280 7.702 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -20.604 0.521 8.583 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -20.680 0.648 6.809 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -19.778 -0.685 7.568 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -18.571 0.915 9.789 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -17.661 -0.236 8.782 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -17.078 1.434 8.972 1.00 1.91 H new ATOM 146 N ALA A 10 -19.071 2.320 4.595 1.00 1.93 N ATOM 147 CA ALA A 10 -19.684 2.480 3.276 1.00 1.97 C ATOM 148 C ALA A 10 -18.785 1.935 2.148 1.00 1.92 C ATOM 149 O ALA A 10 -19.272 1.169 1.304 1.00 1.96 O ATOM 150 CB ALA A 10 -20.023 3.961 3.068 1.00 1.99 C ATOM 0 H ALA A 10 -18.882 3.199 5.076 1.00 1.93 H new ATOM 0 HA ALA A 10 -20.600 1.890 3.236 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -20.481 4.095 2.088 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -20.718 4.287 3.841 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -19.111 4.555 3.127 1.00 1.99 H new ATOM 156 N LEU A 11 -17.473 2.243 2.164 1.00 1.84 N ATOM 157 CA LEU A 11 -16.537 1.571 1.253 1.00 1.80 C ATOM 158 C LEU A 11 -16.510 0.063 1.486 1.00 1.80 C ATOM 159 O LEU A 11 -16.536 -0.660 0.503 1.00 1.82 O ATOM 160 CB LEU A 11 -15.108 2.129 1.321 1.00 1.71 C ATOM 161 CG LEU A 11 -14.143 1.408 0.342 1.00 1.67 C ATOM 162 CD1 LEU A 11 -14.514 1.563 -1.134 1.00 1.71 C ATOM 163 CD2 LEU A 11 -12.735 1.959 0.501 1.00 1.59 C ATOM 0 H LEU A 11 -17.049 2.935 2.782 1.00 1.84 H new ATOM 0 HA LEU A 11 -16.918 1.776 0.252 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -15.126 3.194 1.091 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -14.730 2.029 2.339 1.00 1.71 H new ATOM 0 HG LEU A 11 -14.213 0.352 0.603 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -13.789 1.030 -1.749 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -15.508 1.150 -1.304 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -14.509 2.620 -1.401 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -12.064 1.448 -0.189 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -12.735 3.027 0.283 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -12.395 1.798 1.524 1.00 1.59 H new ATOM 175 N TYR A 12 -16.480 -0.438 2.723 1.00 1.80 N ATOM 176 CA TYR A 12 -16.477 -1.880 2.994 1.00 1.81 C ATOM 177 C TYR A 12 -17.642 -2.588 2.298 1.00 1.89 C ATOM 178 O TYR A 12 -17.416 -3.596 1.623 1.00 1.89 O ATOM 179 CB TYR A 12 -16.477 -2.162 4.503 1.00 1.82 C ATOM 180 CG TYR A 12 -16.801 -3.599 4.875 1.00 1.86 C ATOM 181 CD1 TYR A 12 -16.005 -4.655 4.389 1.00 1.84 C ATOM 182 CD2 TYR A 12 -17.943 -3.882 5.654 1.00 1.94 C ATOM 183 CE1 TYR A 12 -16.353 -5.992 4.671 1.00 1.89 C ATOM 184 CE2 TYR A 12 -18.286 -5.215 5.947 1.00 1.99 C ATOM 185 CZ TYR A 12 -17.496 -6.275 5.452 1.00 1.96 C ATOM 186 OH TYR A 12 -17.835 -7.566 5.716 1.00 2.02 O ATOM 0 H TYR A 12 -16.457 0.140 3.563 1.00 1.80 H new ATOM 0 HA TYR A 12 -15.555 -2.287 2.579 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -15.497 -1.907 4.907 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -17.201 -1.504 4.983 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -15.126 -4.440 3.799 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -18.555 -3.074 6.026 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -15.746 -6.800 4.290 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -19.155 -5.427 6.552 1.00 1.99 H new ATOM 0 HH TYR A 12 -18.646 -7.585 6.266 1.00 2.02 H new ATOM 196 N LYS A 13 -18.858 -2.029 2.374 1.00 1.95 N ATOM 197 CA LYS A 13 -19.994 -2.538 1.595 1.00 2.03 C ATOM 198 C LYS A 13 -19.728 -2.456 0.091 1.00 2.02 C ATOM 199 O LYS A 13 -19.761 -3.500 -0.569 1.00 2.05 O ATOM 200 CB LYS A 13 -21.286 -1.824 2.031 1.00 2.10 C ATOM 201 CG LYS A 13 -22.532 -2.438 1.370 1.00 2.18 C ATOM 202 CD LYS A 13 -23.841 -1.757 1.802 1.00 2.25 C ATOM 203 CE LYS A 13 -24.156 -1.985 3.288 1.00 2.27 C ATOM 204 NZ LYS A 13 -25.467 -1.393 3.666 1.00 2.34 N ATOM 0 H LYS A 13 -19.079 -1.227 2.965 1.00 1.95 H new ATOM 0 HA LYS A 13 -20.127 -3.600 1.803 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -21.384 -1.882 3.115 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -21.222 -0.767 1.773 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -22.433 -2.368 0.287 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -22.582 -3.498 1.618 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -23.772 -0.687 1.608 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -24.663 -2.138 1.196 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -24.164 -3.054 3.499 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -23.368 -1.546 3.899 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -25.648 -1.566 4.676 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -25.450 -0.369 3.487 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -26.222 -1.830 3.100 1.00 2.34 H new ATOM 218 N TYR A 14 -19.404 -1.279 -0.462 1.00 2.00 N ATOM 219 CA TYR A 14 -19.102 -1.197 -1.899 1.00 2.00 C ATOM 220 C TYR A 14 -17.970 -2.113 -2.397 1.00 1.95 C ATOM 221 O TYR A 14 -18.104 -2.726 -3.453 1.00 1.99 O ATOM 222 CB TYR A 14 -18.799 0.272 -2.230 1.00 1.98 C ATOM 223 CG TYR A 14 -18.751 0.575 -3.714 1.00 2.01 C ATOM 224 CD1 TYR A 14 -19.953 0.748 -4.428 1.00 2.10 C ATOM 225 CD2 TYR A 14 -17.514 0.675 -4.385 1.00 1.96 C ATOM 226 CE1 TYR A 14 -19.926 1.016 -5.808 1.00 2.14 C ATOM 227 CE2 TYR A 14 -17.484 0.935 -5.771 1.00 1.99 C ATOM 228 CZ TYR A 14 -18.691 1.105 -6.485 1.00 2.09 C ATOM 229 OH TYR A 14 -18.656 1.321 -7.828 1.00 2.13 O ATOM 0 H TYR A 14 -19.345 -0.396 0.044 1.00 2.00 H new ATOM 0 HA TYR A 14 -19.981 -1.566 -2.428 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -19.558 0.902 -1.766 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -17.843 0.544 -1.783 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -20.899 0.674 -3.913 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -16.591 0.553 -3.838 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -20.850 1.154 -6.350 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -16.538 1.004 -6.287 1.00 1.99 H new ATOM 0 HH TYR A 14 -17.724 1.355 -8.130 1.00 2.13 H new ATOM 239 N MET A 15 -16.872 -2.257 -1.648 1.00 1.88 N ATOM 240 CA MET A 15 -15.730 -3.074 -2.053 1.00 1.83 C ATOM 241 C MET A 15 -16.012 -4.575 -1.883 1.00 1.86 C ATOM 242 O MET A 15 -15.555 -5.371 -2.705 1.00 1.86 O ATOM 243 CB MET A 15 -14.422 -2.590 -1.415 1.00 1.74 C ATOM 244 CG MET A 15 -14.238 -2.927 0.064 1.00 1.72 C ATOM 245 SD MET A 15 -12.867 -2.061 0.882 1.00 1.62 S ATOM 246 CE MET A 15 -11.489 -2.354 -0.265 1.00 1.57 C ATOM 0 H MET A 15 -16.753 -1.807 -0.740 1.00 1.88 H new ATOM 0 HA MET A 15 -15.581 -2.938 -3.124 1.00 1.83 H new ATOM 0 HB2 MET A 15 -13.588 -3.018 -1.972 1.00 1.74 H new ATOM 0 HB3 MET A 15 -14.362 -1.508 -1.532 1.00 1.74 H new ATOM 0 HG2 MET A 15 -15.162 -2.694 0.592 1.00 1.72 H new ATOM 0 HG3 MET A 15 -14.079 -4.001 0.160 1.00 1.72 H new ATOM 0 HE1 MET A 15 -10.597 -1.846 0.101 1.00 1.57 H new ATOM 0 HE2 MET A 15 -11.294 -3.424 -0.334 1.00 1.57 H new ATOM 0 HE3 MET A 15 -11.748 -1.968 -1.251 1.00 1.57 H new ATOM 256 N LYS A 16 -16.844 -4.980 -0.906 1.00 1.90 N ATOM 257 CA LYS A 16 -17.362 -6.358 -0.842 1.00 1.96 C ATOM 258 C LYS A 16 -18.260 -6.669 -2.048 1.00 2.03 C ATOM 259 O LYS A 16 -18.131 -7.736 -2.647 1.00 2.05 O ATOM 260 CB LYS A 16 -18.070 -6.568 0.507 1.00 1.99 C ATOM 261 CG LYS A 16 -18.500 -8.027 0.716 1.00 2.05 C ATOM 262 CD LYS A 16 -18.711 -8.325 2.207 1.00 2.07 C ATOM 263 CE LYS A 16 -19.189 -9.768 2.396 1.00 2.13 C ATOM 264 NZ LYS A 16 -19.072 -10.188 3.813 1.00 2.15 N ATOM 0 H LYS A 16 -17.171 -4.375 -0.153 1.00 1.90 H new ATOM 0 HA LYS A 16 -16.536 -7.067 -0.899 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -17.403 -6.268 1.316 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -18.946 -5.922 0.560 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -19.422 -8.221 0.168 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -17.741 -8.696 0.311 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -17.780 -8.168 2.752 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -19.444 -7.634 2.623 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -20.226 -9.856 2.072 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -18.600 -10.435 1.766 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -19.729 -10.972 3.998 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -18.098 -10.500 4.003 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -19.306 -9.387 4.433 1.00 2.15 H new ATOM 278 N GLU A 17 -19.059 -5.695 -2.490 1.00 2.07 N ATOM 279 CA GLU A 17 -19.799 -5.780 -3.768 1.00 2.13 C ATOM 280 C GLU A 17 -18.889 -5.658 -5.025 1.00 2.10 C ATOM 281 O GLU A 17 -19.372 -5.737 -6.157 1.00 2.16 O ATOM 282 CB GLU A 17 -20.914 -4.713 -3.747 1.00 2.18 C ATOM 283 CG GLU A 17 -22.074 -5.001 -4.709 1.00 2.27 C ATOM 284 CD GLU A 17 -23.234 -4.012 -4.487 1.00 2.33 C ATOM 285 OE1 GLU A 17 -23.254 -2.935 -5.132 1.00 2.34 O ATOM 286 OE2 GLU A 17 -24.146 -4.308 -3.677 1.00 2.37 O ATOM 0 H GLU A 17 -19.216 -4.825 -1.980 1.00 2.07 H new ATOM 0 HA GLU A 17 -20.235 -6.775 -3.852 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -21.308 -4.634 -2.734 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -20.480 -3.745 -3.997 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -21.723 -4.930 -5.739 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -22.428 -6.021 -4.562 1.00 2.27 H new ATOM 293 N ARG A 18 -17.570 -5.490 -4.836 1.00 2.02 N ATOM 294 CA ARG A 18 -16.577 -5.484 -5.937 1.00 1.99 C ATOM 295 C ARG A 18 -15.535 -6.612 -5.794 1.00 1.95 C ATOM 296 O ARG A 18 -14.454 -6.545 -6.387 1.00 1.90 O ATOM 297 CB ARG A 18 -15.965 -4.069 -6.109 1.00 1.94 C ATOM 298 CG ARG A 18 -16.731 -3.189 -7.113 1.00 2.01 C ATOM 299 CD ARG A 18 -18.023 -2.572 -6.564 1.00 2.06 C ATOM 300 NE ARG A 18 -18.828 -1.971 -7.644 1.00 2.13 N ATOM 301 CZ ARG A 18 -19.784 -2.557 -8.343 1.00 2.22 C ATOM 302 NH1 ARG A 18 -20.151 -3.793 -8.150 1.00 2.24 N ATOM 303 NH2 ARG A 18 -20.398 -1.894 -9.282 1.00 2.28 N ATOM 0 H ARG A 18 -17.155 -5.354 -3.914 1.00 2.02 H new ATOM 0 HA ARG A 18 -17.093 -5.712 -6.870 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -15.946 -3.570 -5.140 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -14.930 -4.166 -6.438 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -16.074 -2.386 -7.448 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -16.974 -3.789 -7.990 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -18.607 -3.338 -6.055 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -17.779 -1.811 -5.822 1.00 2.06 H new ATOM 0 HE ARG A 18 -18.625 -0.999 -7.876 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -19.694 -4.354 -7.432 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -20.895 -4.199 -8.717 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -20.140 -0.926 -9.475 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -21.136 -2.343 -9.824 1.00 2.28 H new ATOM 317 N LYS A 19 -15.855 -7.667 -5.026 1.00 1.97 N ATOM 318 CA LYS A 19 -15.052 -8.892 -4.812 1.00 1.95 C ATOM 319 C LYS A 19 -13.711 -8.597 -4.129 1.00 1.86 C ATOM 320 O LYS A 19 -12.764 -9.386 -4.206 1.00 1.84 O ATOM 321 CB LYS A 19 -14.915 -9.704 -6.121 1.00 1.99 C ATOM 322 CG LYS A 19 -16.272 -10.054 -6.757 1.00 2.09 C ATOM 323 CD LYS A 19 -16.089 -10.879 -8.037 1.00 2.13 C ATOM 324 CE LYS A 19 -17.454 -11.179 -8.670 1.00 2.22 C ATOM 325 NZ LYS A 19 -17.314 -11.956 -9.931 1.00 2.27 N ATOM 0 H LYS A 19 -16.732 -7.693 -4.506 1.00 1.97 H new ATOM 0 HA LYS A 19 -15.592 -9.528 -4.111 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -14.322 -9.133 -6.835 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -14.368 -10.624 -5.916 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -16.877 -10.614 -6.044 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -16.816 -9.138 -6.987 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -15.463 -10.334 -8.744 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -15.573 -11.811 -7.808 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -18.068 -11.738 -7.964 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -17.974 -10.243 -8.874 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -18.256 -12.141 -10.331 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -16.749 -11.412 -10.613 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -16.839 -12.860 -9.731 1.00 2.27 H new ATOM 339 N THR A 20 -13.660 -7.460 -3.429 1.00 1.82 N ATOM 340 CA THR A 20 -12.439 -6.980 -2.781 1.00 1.73 C ATOM 341 C THR A 20 -12.737 -6.471 -1.359 1.00 1.72 C ATOM 342 O THR A 20 -12.468 -5.310 -1.062 1.00 1.68 O ATOM 343 CB THR A 20 -11.719 -5.921 -3.656 1.00 1.69 C ATOM 344 OG1 THR A 20 -11.647 -6.331 -5.008 1.00 1.72 O ATOM 345 CG2 THR A 20 -10.266 -5.681 -3.237 1.00 1.61 C ATOM 0 H THR A 20 -14.465 -6.847 -3.296 1.00 1.82 H new ATOM 0 HA THR A 20 -11.750 -7.818 -2.679 1.00 1.73 H new ATOM 0 HB THR A 20 -12.313 -5.016 -3.525 1.00 1.69 H new ATOM 0 HG1 THR A 20 -12.546 -6.335 -5.397 1.00 1.72 H new ATOM 0 HG21 THR A 20 -9.819 -4.930 -3.888 1.00 1.61 H new ATOM 0 HG22 THR A 20 -10.238 -5.330 -2.205 1.00 1.61 H new ATOM 0 HG23 THR A 20 -9.705 -6.612 -3.319 1.00 1.61 H new ATOM 353 N PRO A 21 -13.351 -7.279 -0.466 1.00 1.76 N ATOM 354 CA PRO A 21 -13.689 -6.851 0.898 1.00 1.76 C ATOM 355 C PRO A 21 -12.443 -6.586 1.763 1.00 1.69 C ATOM 356 O PRO A 21 -11.374 -7.145 1.523 1.00 1.66 O ATOM 357 CB PRO A 21 -14.523 -8.001 1.474 1.00 1.84 C ATOM 358 CG PRO A 21 -13.990 -9.230 0.744 1.00 1.85 C ATOM 359 CD PRO A 21 -13.706 -8.681 -0.651 1.00 1.82 C ATOM 0 HA PRO A 21 -14.228 -5.904 0.888 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -14.395 -8.088 2.553 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -15.588 -7.856 1.290 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -13.091 -9.626 1.216 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -14.721 -10.039 0.722 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -12.894 -9.229 -1.128 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -14.580 -8.781 -1.295 1.00 1.82 H new ATOM 367 N ILE A 22 -12.605 -5.822 2.850 1.00 1.68 N ATOM 368 CA ILE A 22 -11.552 -5.688 3.890 1.00 1.64 C ATOM 369 C ILE A 22 -11.211 -7.065 4.519 1.00 1.67 C ATOM 370 O ILE A 22 -10.104 -7.297 4.995 1.00 1.64 O ATOM 371 CB ILE A 22 -11.978 -4.606 4.919 1.00 1.64 C ATOM 372 CG1 ILE A 22 -12.063 -3.239 4.208 1.00 1.61 C ATOM 373 CG2 ILE A 22 -11.016 -4.529 6.120 1.00 1.61 C ATOM 374 CD1 ILE A 22 -12.552 -2.078 5.081 1.00 1.62 C ATOM 0 H ILE A 22 -13.450 -5.284 3.041 1.00 1.68 H new ATOM 0 HA ILE A 22 -10.620 -5.345 3.440 1.00 1.64 H new ATOM 0 HB ILE A 22 -12.954 -4.883 5.317 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -11.077 -2.989 3.818 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -12.730 -3.334 3.351 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -11.357 -3.758 6.811 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -10.995 -5.491 6.632 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -10.014 -4.283 5.768 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -12.576 -1.163 4.489 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -13.554 -2.298 5.451 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -11.874 -1.947 5.925 1.00 1.62 H new ATOM 386 N GLU A 23 -12.158 -8.005 4.415 1.00 1.74 N ATOM 387 CA GLU A 23 -11.921 -9.429 4.728 1.00 1.78 C ATOM 388 C GLU A 23 -10.732 -10.089 3.971 1.00 1.75 C ATOM 389 O GLU A 23 -10.286 -11.163 4.385 1.00 1.78 O ATOM 390 CB GLU A 23 -13.206 -10.248 4.526 1.00 1.87 C ATOM 391 CG GLU A 23 -14.355 -9.788 5.431 1.00 1.91 C ATOM 392 CD GLU A 23 -15.568 -10.726 5.297 1.00 2.00 C ATOM 393 OE1 GLU A 23 -16.383 -10.534 4.363 1.00 2.02 O ATOM 394 OE2 GLU A 23 -15.718 -11.660 6.124 1.00 2.06 O ATOM 0 H GLU A 23 -13.111 -7.805 4.112 1.00 1.74 H new ATOM 0 HA GLU A 23 -11.627 -9.438 5.778 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -13.518 -10.173 3.484 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -12.995 -11.299 4.721 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -14.020 -9.766 6.468 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -14.646 -8.771 5.168 1.00 1.91 H new ATOM 401 N ARG A 24 -10.165 -9.456 2.922 1.00 1.69 N ATOM 402 CA ARG A 24 -8.909 -9.871 2.244 1.00 1.65 C ATOM 403 C ARG A 24 -7.735 -8.882 2.424 1.00 1.57 C ATOM 404 O ARG A 24 -6.707 -9.012 1.758 1.00 1.53 O ATOM 405 CB ARG A 24 -9.185 -10.262 0.772 1.00 1.67 C ATOM 406 CG ARG A 24 -9.169 -9.107 -0.253 1.00 1.62 C ATOM 407 CD ARG A 24 -9.740 -9.528 -1.618 1.00 1.67 C ATOM 408 NE ARG A 24 -8.915 -10.551 -2.290 1.00 1.67 N ATOM 409 CZ ARG A 24 -9.183 -11.159 -3.434 1.00 1.72 C ATOM 410 NH1 ARG A 24 -10.260 -10.924 -4.133 1.00 1.77 N ATOM 411 NH2 ARG A 24 -8.347 -12.036 -3.912 1.00 1.72 N ATOM 0 H ARG A 24 -10.576 -8.619 2.509 1.00 1.69 H new ATOM 0 HA ARG A 24 -8.554 -10.767 2.753 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -8.443 -11.000 0.468 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -10.158 -10.750 0.724 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -9.748 -8.270 0.138 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -8.146 -8.754 -0.383 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -10.750 -9.914 -1.481 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -9.818 -8.651 -2.260 1.00 1.67 H new ATOM 0 HE ARG A 24 -8.048 -10.817 -1.824 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -10.944 -10.243 -3.803 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -10.418 -11.421 -5.009 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -7.489 -12.252 -3.405 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -8.550 -12.507 -4.794 1.00 1.72 H new ATOM 425 N ILE A 25 -7.870 -7.922 3.342 1.00 1.55 N ATOM 426 CA ILE A 25 -6.914 -6.841 3.650 1.00 1.48 C ATOM 427 C ILE A 25 -6.657 -6.834 5.179 1.00 1.49 C ATOM 428 O ILE A 25 -7.209 -6.005 5.908 1.00 1.50 O ATOM 429 CB ILE A 25 -7.416 -5.472 3.114 1.00 1.45 C ATOM 430 CG1 ILE A 25 -7.964 -5.539 1.667 1.00 1.46 C ATOM 431 CG2 ILE A 25 -6.245 -4.473 3.181 1.00 1.37 C ATOM 432 CD1 ILE A 25 -8.552 -4.215 1.162 1.00 1.45 C ATOM 0 H ILE A 25 -8.701 -7.870 3.931 1.00 1.55 H new ATOM 0 HA ILE A 25 -5.967 -7.021 3.141 1.00 1.48 H new ATOM 0 HB ILE A 25 -8.251 -5.156 3.739 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -7.160 -5.846 0.998 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -8.733 -6.310 1.616 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -6.573 -3.502 2.809 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -5.911 -4.372 4.214 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -5.421 -4.837 2.567 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -8.914 -4.343 0.142 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -9.379 -3.915 1.806 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -7.781 -3.445 1.179 1.00 1.45 H new ATOM 444 N PRO A 26 -5.934 -7.860 5.660 1.00 1.53 N ATOM 445 CA PRO A 26 -5.773 -8.130 7.097 1.00 1.57 C ATOM 446 C PRO A 26 -4.855 -7.225 7.894 1.00 1.52 C ATOM 447 O PRO A 26 -5.246 -6.736 8.955 1.00 1.50 O ATOM 448 CB PRO A 26 -5.249 -9.567 7.098 1.00 1.62 C ATOM 449 CG PRO A 26 -4.457 -9.679 5.842 1.00 1.59 C ATOM 450 CD PRO A 26 -5.153 -8.805 4.834 1.00 1.55 C ATOM 0 HA PRO A 26 -6.720 -7.951 7.606 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -4.632 -9.763 7.975 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -6.067 -10.287 7.116 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -3.429 -9.352 5.998 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -4.414 -10.713 5.499 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -4.439 -8.283 4.197 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -5.798 -9.389 4.177 1.00 1.55 H new ATOM 458 N TYR A 27 -3.652 -7.004 7.421 1.00 1.52 N ATOM 459 CA TYR A 27 -2.715 -6.213 8.187 1.00 1.49 C ATOM 460 C TYR A 27 -1.946 -5.217 7.358 1.00 1.38 C ATOM 461 O TYR A 27 -2.091 -5.123 6.145 1.00 1.34 O ATOM 462 CB TYR A 27 -1.686 -7.146 8.844 1.00 1.61 C ATOM 463 CG TYR A 27 -2.172 -7.902 10.056 1.00 1.65 C ATOM 464 CD1 TYR A 27 -2.147 -7.316 11.312 1.00 1.91 C ATOM 465 CD2 TYR A 27 -2.637 -9.208 9.946 1.00 1.76 C ATOM 466 CE1 TYR A 27 -2.576 -8.005 12.427 1.00 2.21 C ATOM 467 CE2 TYR A 27 -3.070 -9.905 11.060 1.00 2.09 C ATOM 468 CZ TYR A 27 -3.037 -9.297 12.297 1.00 2.29 C ATOM 469 OH TYR A 27 -3.470 -9.980 13.411 1.00 2.75 O ATOM 0 H TYR A 27 -3.302 -7.352 6.528 1.00 1.52 H new ATOM 0 HA TYR A 27 -3.309 -5.662 8.916 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -1.348 -7.867 8.099 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -0.817 -6.554 9.131 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -1.786 -6.304 11.419 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -2.660 -9.685 8.977 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -2.551 -7.534 13.398 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -3.431 -10.918 10.961 1.00 2.09 H new ATOM 0 HH TYR A 27 -3.764 -10.878 13.150 1.00 2.75 H new ATOM 479 N LEU A 28 -1.155 -4.468 8.098 1.00 1.39 N ATOM 480 CA LEU A 28 -0.201 -3.514 7.585 1.00 1.35 C ATOM 481 C LEU A 28 1.109 -4.292 7.642 1.00 1.35 C ATOM 482 O LEU A 28 1.145 -5.311 8.343 1.00 1.38 O ATOM 483 CB LEU A 28 -0.183 -2.265 8.483 1.00 1.42 C ATOM 484 CG LEU A 28 0.514 -1.017 7.943 1.00 1.37 C ATOM 485 CD1 LEU A 28 -0.213 0.235 8.419 1.00 1.58 C ATOM 486 CD2 LEU A 28 1.967 -0.977 8.392 1.00 1.77 C ATOM 0 H LEU A 28 -1.162 -4.511 9.117 1.00 1.39 H new ATOM 0 HA LEU A 28 -0.417 -3.145 6.582 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -1.215 -2.001 8.712 1.00 1.42 H new ATOM 0 HB3 LEU A 28 0.294 -2.535 9.425 1.00 1.42 H new ATOM 0 HG LEU A 28 0.489 -1.052 6.854 1.00 1.37 H new ATOM 0 HD11 LEU A 28 0.291 1.119 8.029 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -1.242 0.217 8.061 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -0.209 0.266 9.509 1.00 1.58 H new ATOM 0 HD21 LEU A 28 2.445 -0.081 7.997 1.00 1.77 H new ATOM 0 HD22 LEU A 28 2.011 -0.962 9.481 1.00 1.77 H new ATOM 0 HD23 LEU A 28 2.487 -1.860 8.020 1.00 1.77 H new ATOM 583 N ASN A 34 -5.593 -0.002 10.271 1.00 1.56 N ATOM 584 CA ASN A 34 -6.078 1.297 10.784 1.00 1.58 C ATOM 585 C ASN A 34 -6.107 2.374 9.688 1.00 1.57 C ATOM 586 O ASN A 34 -5.265 3.274 9.660 1.00 1.91 O ATOM 587 CB ASN A 34 -5.226 1.748 11.983 1.00 1.60 C ATOM 588 CG ASN A 34 -5.316 0.784 13.157 1.00 1.73 C ATOM 589 OD1 ASN A 34 -6.479 0.161 13.316 1.00 2.14 O flip ATOM 590 ND2 ASN A 34 -4.363 0.611 13.917 1.00 2.10 N flip ATOM 0 HA ASN A 34 -7.106 1.160 11.119 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -4.186 1.840 11.671 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -5.551 2.738 12.304 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -3.487 1.110 13.759 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -4.449 -0.031 14.705 1.00 2.10 H new ATOM 597 N LEU A 35 -7.101 2.279 8.805 1.00 1.38 N ATOM 598 CA LEU A 35 -7.238 3.189 7.662 1.00 1.34 C ATOM 599 C LEU A 35 -7.294 4.678 8.042 1.00 1.32 C ATOM 600 O LEU A 35 -6.461 5.451 7.587 1.00 1.28 O ATOM 601 CB LEU A 35 -8.490 2.825 6.859 1.00 1.40 C ATOM 602 CG LEU A 35 -8.545 3.357 5.415 1.00 1.43 C ATOM 603 CD1 LEU A 35 -8.986 4.813 5.383 1.00 1.47 C ATOM 604 CD2 LEU A 35 -7.201 3.201 4.715 1.00 1.52 C ATOM 0 H LEU A 35 -7.834 1.572 8.859 1.00 1.38 H new ATOM 0 HA LEU A 35 -6.335 3.058 7.066 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -8.574 1.739 6.828 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -9.363 3.197 7.396 1.00 1.40 H new ATOM 0 HG LEU A 35 -9.282 2.760 4.878 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -9.016 5.162 4.351 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -9.978 4.902 5.825 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -8.280 5.419 5.951 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -7.274 3.586 3.698 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -6.440 3.759 5.261 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -6.927 2.147 4.685 1.00 1.52 H new ATOM 616 N TRP A 36 -8.295 5.069 8.834 1.00 1.37 N ATOM 617 CA TRP A 36 -8.486 6.483 9.237 1.00 1.37 C ATOM 618 C TRP A 36 -7.187 7.186 9.682 1.00 1.32 C ATOM 619 O TRP A 36 -6.993 8.366 9.403 1.00 1.31 O ATOM 620 CB TRP A 36 -9.554 6.583 10.333 1.00 1.45 C ATOM 621 CG TRP A 36 -9.259 5.753 11.542 1.00 1.50 C ATOM 622 CD1 TRP A 36 -9.362 4.396 11.652 1.00 1.55 C ATOM 623 CD2 TRP A 36 -8.819 6.228 12.818 1.00 1.53 C ATOM 624 NE1 TRP A 36 -8.997 3.999 12.913 1.00 1.61 N ATOM 625 CE2 TRP A 36 -8.661 5.105 13.648 1.00 1.60 C ATOM 626 CE3 TRP A 36 -8.540 7.495 13.337 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -8.231 5.208 14.968 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -8.115 7.597 14.648 1.00 1.61 C ATOM 629 CH2 TRP A 36 -7.963 6.459 15.450 1.00 1.66 C ATOM 0 H TRP A 36 -8.993 4.431 9.215 1.00 1.37 H new ATOM 0 HA TRP A 36 -8.821 7.011 8.344 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -9.654 7.625 10.635 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -10.515 6.277 9.920 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -9.684 3.733 10.862 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -8.979 3.036 13.249 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -8.654 8.378 12.725 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -8.113 4.332 15.588 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -7.896 8.571 15.061 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -7.627 6.572 16.470 1.00 1.66 H new ATOM 640 N THR A 37 -6.318 6.456 10.375 1.00 1.32 N ATOM 641 CA THR A 37 -5.021 6.973 10.851 1.00 1.29 C ATOM 642 C THR A 37 -4.001 7.129 9.720 1.00 1.23 C ATOM 643 O THR A 37 -3.427 8.206 9.583 1.00 1.21 O ATOM 644 CB THR A 37 -4.431 6.088 11.961 1.00 1.34 C ATOM 645 OG1 THR A 37 -5.313 6.039 13.060 1.00 1.41 O ATOM 646 CG2 THR A 37 -3.105 6.616 12.515 1.00 1.35 C ATOM 0 H THR A 37 -6.487 5.482 10.628 1.00 1.32 H new ATOM 0 HA THR A 37 -5.226 7.963 11.259 1.00 1.29 H new ATOM 0 HB THR A 37 -4.273 5.113 11.500 1.00 1.34 H new ATOM 0 HG1 THR A 37 -6.093 6.604 12.879 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.743 5.945 13.294 1.00 1.35 H new ATOM 0 HG22 THR A 37 -2.370 6.668 11.712 1.00 1.35 H new ATOM 0 HG23 THR A 37 -3.256 7.611 12.934 1.00 1.35 H new ATOM 654 N MET A 38 -3.784 6.114 8.868 1.00 1.20 N ATOM 655 CA MET A 38 -2.899 6.288 7.695 1.00 1.15 C ATOM 656 C MET A 38 -3.441 7.339 6.709 1.00 1.13 C ATOM 657 O MET A 38 -2.661 8.042 6.069 1.00 1.11 O ATOM 658 CB MET A 38 -2.573 4.963 6.983 1.00 1.14 C ATOM 659 CG MET A 38 -3.784 4.199 6.443 1.00 1.17 C ATOM 660 SD MET A 38 -3.413 3.090 5.056 1.00 1.17 S ATOM 661 CE MET A 38 -4.014 1.502 5.687 1.00 1.25 C ATOM 0 H MET A 38 -4.195 5.185 8.961 1.00 1.20 H new ATOM 0 HA MET A 38 -1.956 6.666 8.091 1.00 1.15 H new ATOM 0 HB2 MET A 38 -1.896 5.171 6.155 1.00 1.14 H new ATOM 0 HB3 MET A 38 -2.037 4.317 7.679 1.00 1.14 H new ATOM 0 HG2 MET A 38 -4.220 3.614 7.253 1.00 1.17 H new ATOM 0 HG3 MET A 38 -4.540 4.918 6.126 1.00 1.17 H new ATOM 0 HE1 MET A 38 -3.850 0.727 4.938 1.00 1.25 H new ATOM 0 HE2 MET A 38 -3.475 1.245 6.599 1.00 1.25 H new ATOM 0 HE3 MET A 38 -5.079 1.577 5.904 1.00 1.25 H new ATOM 671 N PHE A 39 -4.769 7.490 6.641 1.00 1.17 N ATOM 672 CA PHE A 39 -5.403 8.563 5.881 1.00 1.19 C ATOM 673 C PHE A 39 -5.064 9.946 6.436 1.00 1.20 C ATOM 674 O PHE A 39 -4.444 10.736 5.726 1.00 1.20 O ATOM 675 CB PHE A 39 -6.916 8.355 5.799 1.00 1.25 C ATOM 676 CG PHE A 39 -7.613 9.477 5.048 1.00 1.30 C ATOM 677 CD1 PHE A 39 -7.363 9.659 3.673 1.00 1.30 C ATOM 678 CD2 PHE A 39 -8.468 10.366 5.726 1.00 1.36 C ATOM 679 CE1 PHE A 39 -7.976 10.712 2.975 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.071 11.430 5.029 1.00 1.43 C ATOM 681 CZ PHE A 39 -8.822 11.604 3.656 1.00 1.44 C ATOM 0 H PHE A 39 -5.429 6.871 7.112 1.00 1.17 H new ATOM 0 HA PHE A 39 -4.997 8.522 4.870 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -7.124 7.406 5.304 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -7.326 8.286 6.807 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -6.697 8.986 3.154 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -8.661 10.232 6.780 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -7.798 10.836 1.917 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.726 12.113 5.549 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.281 12.424 3.124 1.00 1.44 H new ATOM 691 N GLN A 40 -5.401 10.257 7.697 1.00 1.24 N ATOM 692 CA GLN A 40 -5.077 11.590 8.240 1.00 1.27 C ATOM 693 C GLN A 40 -3.558 11.859 8.297 1.00 1.25 C ATOM 694 O GLN A 40 -3.138 13.006 8.134 1.00 1.28 O ATOM 695 CB GLN A 40 -5.776 11.811 9.593 1.00 1.33 C ATOM 696 CG GLN A 40 -5.145 11.015 10.742 1.00 1.33 C ATOM 697 CD GLN A 40 -6.066 10.909 11.951 1.00 1.39 C ATOM 698 OE1 GLN A 40 -5.935 11.614 12.942 1.00 1.44 O ATOM 699 NE2 GLN A 40 -7.021 10.007 11.912 1.00 1.40 N ATOM 0 H GLN A 40 -5.881 9.630 8.343 1.00 1.24 H new ATOM 0 HA GLN A 40 -5.470 12.332 7.545 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -5.749 12.873 9.838 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -6.826 11.532 9.501 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -4.894 10.014 10.392 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -4.211 11.492 11.041 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -7.133 9.418 11.087 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -7.651 9.896 12.707 1.00 1.40 H new ATOM 708 N ALA A 41 -2.730 10.817 8.437 1.00 1.21 N ATOM 709 CA ALA A 41 -1.281 10.917 8.279 1.00 1.20 C ATOM 710 C ALA A 41 -0.890 11.327 6.850 1.00 1.18 C ATOM 711 O ALA A 41 -0.205 12.332 6.672 1.00 1.21 O ATOM 712 CB ALA A 41 -0.636 9.587 8.682 1.00 1.18 C ATOM 0 H ALA A 41 -3.052 9.876 8.665 1.00 1.21 H new ATOM 0 HA ALA A 41 -0.909 11.704 8.935 1.00 1.20 H new ATOM 0 HB1 ALA A 41 0.445 9.657 8.566 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -0.876 9.367 9.722 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -1.018 8.789 8.045 1.00 1.18 H new ATOM 718 N ALA A 42 -1.379 10.630 5.820 1.00 1.14 N ATOM 719 CA ALA A 42 -1.154 11.007 4.424 1.00 1.14 C ATOM 720 C ALA A 42 -1.640 12.431 4.113 1.00 1.20 C ATOM 721 O ALA A 42 -0.955 13.165 3.413 1.00 1.23 O ATOM 722 CB ALA A 42 -1.816 9.975 3.503 1.00 1.11 C ATOM 0 H ALA A 42 -1.943 9.787 5.932 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.079 11.012 4.244 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -1.649 10.255 2.463 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -1.383 8.992 3.688 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -2.887 9.943 3.703 1.00 1.11 H new ATOM 728 N GLN A 43 -2.773 12.853 4.685 1.00 1.23 N ATOM 729 CA GLN A 43 -3.310 14.203 4.472 1.00 1.31 C ATOM 730 C GLN A 43 -2.446 15.292 5.141 1.00 1.35 C ATOM 731 O GLN A 43 -2.420 16.430 4.666 1.00 1.42 O ATOM 732 CB GLN A 43 -4.774 14.286 4.937 1.00 1.35 C ATOM 733 CG GLN A 43 -5.743 13.419 4.105 1.00 1.35 C ATOM 734 CD GLN A 43 -5.721 13.720 2.605 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.794 14.860 2.164 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.601 12.718 1.759 1.00 1.35 N ATOM 0 H GLN A 43 -3.340 12.274 5.304 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.278 14.397 3.400 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.832 13.978 5.981 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.101 15.325 4.892 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.495 12.368 4.257 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.756 13.565 4.479 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.539 11.761 2.107 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.570 12.899 0.756 1.00 1.35 H new ATOM 745 N LYS A 44 -1.683 14.930 6.182 1.00 1.33 N ATOM 746 CA LYS A 44 -0.682 15.828 6.780 1.00 1.39 C ATOM 747 C LYS A 44 0.595 15.858 5.941 1.00 1.39 C ATOM 748 O LYS A 44 1.087 16.934 5.603 1.00 1.45 O ATOM 749 CB LYS A 44 -0.418 15.379 8.227 1.00 1.39 C ATOM 750 CG LYS A 44 0.416 16.399 9.014 1.00 1.47 C ATOM 751 CD LYS A 44 0.786 15.903 10.419 1.00 1.49 C ATOM 752 CE LYS A 44 -0.443 15.514 11.251 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.062 15.201 12.651 1.00 1.53 N ATOM 0 H LYS A 44 -1.740 14.016 6.630 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.061 16.850 6.797 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.370 15.223 8.735 1.00 1.39 H new ATOM 0 HB3 LYS A 44 0.100 14.420 8.218 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.328 16.622 8.460 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.142 17.332 9.098 1.00 1.47 H new ATOM 0 HD2 LYS A 44 1.449 15.042 10.333 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.341 16.682 10.941 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.166 16.330 11.241 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -0.932 14.649 10.802 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -0.911 14.941 13.192 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.610 14.407 12.659 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 0.383 16.035 13.085 1.00 1.53 H new ATOM 767 N LEU A 45 1.066 14.675 5.540 1.00 1.32 N ATOM 768 CA LEU A 45 2.197 14.540 4.613 1.00 1.32 C ATOM 769 C LEU A 45 1.865 14.913 3.129 1.00 1.34 C ATOM 770 O LEU A 45 2.679 14.644 2.242 1.00 1.34 O ATOM 771 CB LEU A 45 2.851 13.137 4.801 1.00 1.27 C ATOM 772 CG LEU A 45 3.675 12.842 6.092 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.637 13.981 6.439 1.00 1.39 C ATOM 774 CD2 LEU A 45 2.837 12.549 7.334 1.00 1.29 C ATOM 0 H LEU A 45 0.676 13.784 5.847 1.00 1.32 H new ATOM 0 HA LEU A 45 2.941 15.293 4.872 1.00 1.32 H new ATOM 0 HB2 LEU A 45 2.055 12.395 4.745 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.507 12.965 3.948 1.00 1.27 H new ATOM 0 HG LEU A 45 4.223 11.936 5.832 1.00 1.30 H new ATOM 0 HD11 LEU A 45 5.188 13.729 7.345 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.338 14.128 5.617 1.00 1.39 H new ATOM 0 HD13 LEU A 45 4.071 14.898 6.602 1.00 1.39 H new ATOM 0 HD21 LEU A 45 3.496 12.356 8.180 1.00 1.29 H new ATOM 0 HD22 LEU A 45 2.203 13.407 7.556 1.00 1.29 H new ATOM 0 HD23 LEU A 45 2.213 11.674 7.154 1.00 1.29 H new ATOM 786 N GLY A 46 0.714 15.558 2.853 1.00 1.36 N ATOM 787 CA GLY A 46 0.465 16.183 1.526 1.00 1.42 C ATOM 788 C GLY A 46 -0.477 15.442 0.554 1.00 1.40 C ATOM 789 O GLY A 46 -0.392 15.612 -0.665 1.00 1.44 O ATOM 0 H GLY A 46 -0.053 15.663 3.518 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.057 17.180 1.695 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.427 16.312 1.029 1.00 1.42 H new ATOM 793 N GLY A 47 -1.363 14.626 1.121 1.00 1.34 N ATOM 794 CA GLY A 47 -2.190 13.682 0.372 1.00 1.32 C ATOM 795 C GLY A 47 -1.388 12.639 -0.412 1.00 1.28 C ATOM 796 O GLY A 47 -0.161 12.712 -0.538 1.00 1.27 O ATOM 0 H GLY A 47 -1.529 14.601 2.127 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.856 13.168 1.065 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.820 14.238 -0.322 1.00 1.32 H new ATOM 800 N TYR A 48 -2.107 11.680 -0.999 1.00 1.27 N ATOM 801 CA TYR A 48 -1.512 10.719 -1.940 1.00 1.26 C ATOM 802 C TYR A 48 -0.730 11.383 -3.096 1.00 1.32 C ATOM 803 O TYR A 48 0.152 10.759 -3.688 1.00 1.31 O ATOM 804 CB TYR A 48 -2.617 9.802 -2.475 1.00 1.28 C ATOM 805 CG TYR A 48 -2.112 8.542 -3.156 1.00 1.26 C ATOM 806 CD1 TYR A 48 -1.721 7.436 -2.376 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.043 8.469 -4.561 1.00 1.33 C ATOM 808 CE1 TYR A 48 -1.296 6.245 -2.995 1.00 1.21 C ATOM 809 CE2 TYR A 48 -1.600 7.287 -5.183 1.00 1.33 C ATOM 810 CZ TYR A 48 -1.237 6.170 -4.403 1.00 1.27 C ATOM 811 OH TYR A 48 -0.837 5.024 -5.016 1.00 1.29 O ATOM 0 H TYR A 48 -3.106 11.545 -0.841 1.00 1.27 H new ATOM 0 HA TYR A 48 -0.770 10.138 -1.392 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.268 9.518 -1.648 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.227 10.363 -3.183 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -1.747 7.502 -1.298 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.330 9.320 -5.161 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -1.016 5.392 -2.395 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -1.538 7.235 -6.260 1.00 1.33 H new ATOM 0 HH TYR A 48 -0.857 5.149 -5.988 1.00 1.29 H new ATOM 821 N GLU A 49 -1.008 12.652 -3.412 1.00 1.39 N ATOM 822 CA GLU A 49 -0.365 13.336 -4.546 1.00 1.47 C ATOM 823 C GLU A 49 1.067 13.782 -4.232 1.00 1.46 C ATOM 824 O GLU A 49 1.981 13.472 -5.002 1.00 1.48 O ATOM 825 CB GLU A 49 -1.223 14.527 -4.991 1.00 1.57 C ATOM 826 CG GLU A 49 -2.452 14.034 -5.766 1.00 1.61 C ATOM 827 CD GLU A 49 -3.447 15.175 -6.026 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.170 16.062 -6.870 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.527 15.166 -5.392 1.00 1.72 O ATOM 0 H GLU A 49 -1.674 13.230 -2.900 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.292 12.618 -5.362 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.539 15.102 -4.121 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.633 15.196 -5.618 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.136 13.602 -6.715 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.945 13.241 -5.203 1.00 1.61 H new ATOM 836 N THR A 50 1.311 14.424 -3.080 1.00 1.44 N ATOM 837 CA THR A 50 2.681 14.686 -2.608 1.00 1.45 C ATOM 838 C THR A 50 3.402 13.373 -2.313 1.00 1.37 C ATOM 839 O THR A 50 4.579 13.227 -2.638 1.00 1.40 O ATOM 840 CB THR A 50 2.718 15.588 -1.366 1.00 1.46 C ATOM 841 OG1 THR A 50 2.046 16.802 -1.628 1.00 1.54 O ATOM 842 CG2 THR A 50 4.140 15.971 -0.946 1.00 1.50 C ATOM 0 H THR A 50 0.580 14.771 -2.459 1.00 1.44 H new ATOM 0 HA THR A 50 3.192 15.217 -3.411 1.00 1.45 H new ATOM 0 HB THR A 50 2.245 15.011 -0.571 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.105 16.717 -1.369 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.099 16.609 -0.063 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.707 15.069 -0.716 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.627 16.509 -1.759 1.00 1.50 H new ATOM 850 N ILE A 51 2.682 12.379 -1.779 1.00 1.30 N ATOM 851 CA ILE A 51 3.225 11.029 -1.578 1.00 1.24 C ATOM 852 C ILE A 51 3.761 10.418 -2.883 1.00 1.27 C ATOM 853 O ILE A 51 4.869 9.886 -2.895 1.00 1.27 O ATOM 854 CB ILE A 51 2.155 10.159 -0.866 1.00 1.18 C ATOM 855 CG1 ILE A 51 2.444 10.024 0.640 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.969 8.760 -1.465 1.00 1.15 C ATOM 857 CD1 ILE A 51 2.195 11.325 1.418 1.00 1.17 C ATOM 0 H ILE A 51 1.714 12.486 -1.476 1.00 1.30 H new ATOM 0 HA ILE A 51 4.100 11.077 -0.929 1.00 1.24 H new ATOM 0 HB ILE A 51 1.223 10.701 -1.025 1.00 1.18 H new ATOM 0 HG12 ILE A 51 1.818 9.234 1.055 1.00 1.14 H new ATOM 0 HG13 ILE A 51 3.480 9.717 0.779 1.00 1.14 H new ATOM 0 HG21 ILE A 51 1.203 8.223 -0.905 1.00 1.15 H new ATOM 0 HG22 ILE A 51 1.662 8.848 -2.507 1.00 1.15 H new ATOM 0 HG23 ILE A 51 2.910 8.212 -1.409 1.00 1.15 H new ATOM 0 HD11 ILE A 51 2.416 11.166 2.473 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.840 12.112 1.027 1.00 1.17 H new ATOM 0 HD13 ILE A 51 1.152 11.622 1.307 1.00 1.17 H new ATOM 869 N THR A 52 3.019 10.526 -3.983 1.00 1.30 N ATOM 870 CA THR A 52 3.454 9.981 -5.283 1.00 1.35 C ATOM 871 C THR A 52 4.568 10.817 -5.910 1.00 1.42 C ATOM 872 O THR A 52 5.506 10.254 -6.481 1.00 1.45 O ATOM 873 CB THR A 52 2.257 9.858 -6.237 1.00 1.39 C ATOM 874 OG1 THR A 52 1.332 8.961 -5.661 1.00 1.34 O ATOM 875 CG2 THR A 52 2.617 9.272 -7.603 1.00 1.45 C ATOM 0 H THR A 52 2.109 10.986 -4.008 1.00 1.30 H new ATOM 0 HA THR A 52 3.864 8.987 -5.104 1.00 1.35 H new ATOM 0 HB THR A 52 1.871 10.867 -6.383 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.832 9.417 -4.952 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.722 9.216 -8.222 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.355 9.910 -8.089 1.00 1.45 H new ATOM 0 HG23 THR A 52 3.031 8.272 -7.472 1.00 1.45 H new ATOM 883 N ALA A 53 4.524 12.140 -5.743 1.00 1.47 N ATOM 884 CA ALA A 53 5.585 13.029 -6.212 1.00 1.55 C ATOM 885 C ALA A 53 6.913 12.890 -5.430 1.00 1.54 C ATOM 886 O ALA A 53 7.961 13.250 -5.976 1.00 1.61 O ATOM 887 CB ALA A 53 5.060 14.468 -6.143 1.00 1.61 C ATOM 0 H ALA A 53 3.754 12.623 -5.280 1.00 1.47 H new ATOM 0 HA ALA A 53 5.832 12.747 -7.235 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.833 15.154 -6.488 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.179 14.565 -6.778 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.794 14.709 -5.114 1.00 1.61 H new ATOM 893 N ARG A 54 6.887 12.382 -4.182 1.00 1.47 N ATOM 894 CA ARG A 54 8.074 12.438 -3.291 1.00 1.49 C ATOM 895 C ARG A 54 8.456 11.130 -2.577 1.00 1.44 C ATOM 896 O ARG A 54 9.505 11.095 -1.936 1.00 1.48 O ATOM 897 CB ARG A 54 7.851 13.536 -2.228 1.00 1.51 C ATOM 898 CG ARG A 54 7.648 14.968 -2.759 1.00 1.59 C ATOM 899 CD ARG A 54 8.870 15.547 -3.490 1.00 1.68 C ATOM 900 NE ARG A 54 10.073 15.607 -2.630 1.00 1.72 N ATOM 901 CZ ARG A 54 10.366 16.519 -1.719 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.585 17.531 -1.464 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.471 16.430 -1.037 1.00 1.82 N ATOM 0 H ARG A 54 6.070 11.933 -3.768 1.00 1.47 H new ATOM 0 HA ARG A 54 8.911 12.651 -3.956 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.979 13.265 -1.633 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.708 13.539 -1.554 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.795 14.974 -3.438 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.395 15.621 -1.924 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.086 14.938 -4.368 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.633 16.549 -3.848 1.00 1.68 H new ATOM 0 HE ARG A 54 10.755 14.858 -2.755 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.710 17.641 -1.976 1.00 1.79 H new ATOM 0 HH12 ARG A 54 9.849 18.212 -0.752 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.113 15.655 -1.205 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.695 17.135 -0.335 1.00 1.82 H new ATOM 917 N ARG A 55 7.645 10.065 -2.674 1.00 1.37 N ATOM 918 CA ARG A 55 7.755 8.824 -1.864 1.00 1.32 C ATOM 919 C ARG A 55 7.816 9.176 -0.374 1.00 1.31 C ATOM 920 O ARG A 55 8.734 8.825 0.366 1.00 1.35 O ATOM 921 CB ARG A 55 8.886 7.906 -2.386 1.00 1.37 C ATOM 922 CG ARG A 55 8.921 7.747 -3.922 1.00 1.40 C ATOM 923 CD ARG A 55 7.616 7.225 -4.550 1.00 1.35 C ATOM 924 NE ARG A 55 7.262 7.967 -5.780 1.00 1.40 N ATOM 925 CZ ARG A 55 7.716 7.781 -7.004 1.00 1.46 C ATOM 926 NH1 ARG A 55 8.581 6.854 -7.304 1.00 1.49 N ATOM 927 NH2 ARG A 55 7.295 8.557 -7.957 1.00 1.51 N ATOM 0 H ARG A 55 6.869 10.035 -3.335 1.00 1.37 H new ATOM 0 HA ARG A 55 6.857 8.216 -1.980 1.00 1.32 H new ATOM 0 HB2 ARG A 55 9.844 8.305 -2.052 1.00 1.37 H new ATOM 0 HB3 ARG A 55 8.776 6.921 -1.933 1.00 1.37 H new ATOM 0 HG2 ARG A 55 9.160 8.713 -4.367 1.00 1.40 H new ATOM 0 HG3 ARG A 55 9.731 7.066 -4.184 1.00 1.40 H new ATOM 0 HD2 ARG A 55 7.723 6.166 -4.783 1.00 1.35 H new ATOM 0 HD3 ARG A 55 6.805 7.312 -3.827 1.00 1.35 H new ATOM 0 HE ARG A 55 6.580 8.717 -5.667 1.00 1.40 H new ATOM 0 HH11 ARG A 55 8.936 6.233 -6.577 1.00 1.49 H new ATOM 0 HH12 ARG A 55 8.903 6.749 -8.266 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.623 9.297 -7.753 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.636 8.426 -8.909 1.00 1.51 H new ATOM 941 N GLN A 56 6.777 9.916 0.025 1.00 1.28 N ATOM 942 CA GLN A 56 6.702 10.505 1.367 1.00 1.29 C ATOM 943 C GLN A 56 6.172 9.512 2.428 1.00 1.24 C ATOM 944 O GLN A 56 6.085 9.877 3.598 1.00 1.25 O ATOM 945 CB GLN A 56 5.873 11.805 1.329 1.00 1.30 C ATOM 946 CG GLN A 56 6.412 12.918 2.250 1.00 1.37 C ATOM 947 CD GLN A 56 7.486 13.774 1.575 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.198 14.623 0.744 1.00 1.49 O ATOM 949 NE2 GLN A 56 8.754 13.615 1.886 1.00 1.51 N ATOM 0 H GLN A 56 5.972 10.123 -0.566 1.00 1.28 H new ATOM 0 HA GLN A 56 7.718 10.751 1.677 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.845 12.177 0.305 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.846 11.577 1.614 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.586 13.558 2.562 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.826 12.468 3.153 1.00 1.37 H new ATOM 0 HE21 GLN A 56 9.026 12.915 2.576 1.00 1.51 H new ATOM 0 HE22 GLN A 56 9.465 14.192 1.437 1.00 1.51 H new ATOM 958 N TRP A 57 5.861 8.255 2.067 1.00 1.19 N ATOM 959 CA TRP A 57 5.465 7.204 3.021 1.00 1.17 C ATOM 960 C TRP A 57 6.473 6.998 4.154 1.00 1.24 C ATOM 961 O TRP A 57 6.063 6.731 5.281 1.00 1.24 O ATOM 962 CB TRP A 57 5.192 5.869 2.319 1.00 1.15 C ATOM 963 CG TRP A 57 3.949 5.844 1.500 1.00 1.11 C ATOM 964 CD1 TRP A 57 3.876 6.014 0.163 1.00 1.11 C ATOM 965 CD2 TRP A 57 2.583 5.638 1.965 1.00 1.07 C ATOM 966 NE1 TRP A 57 2.553 5.956 -0.224 1.00 1.09 N ATOM 967 CE2 TRP A 57 1.709 5.743 0.844 1.00 1.07 C ATOM 968 CE3 TRP A 57 1.994 5.393 3.222 1.00 1.07 C ATOM 969 CZ2 TRP A 57 0.316 5.640 0.969 1.00 1.06 C ATOM 970 CZ3 TRP A 57 0.601 5.272 3.360 1.00 1.06 C ATOM 971 CH2 TRP A 57 -0.233 5.401 2.239 1.00 1.06 C ATOM 0 H TRP A 57 5.877 7.937 1.098 1.00 1.19 H new ATOM 0 HA TRP A 57 4.540 7.565 3.472 1.00 1.17 H new ATOM 0 HB2 TRP A 57 6.040 5.631 1.677 1.00 1.15 H new ATOM 0 HB3 TRP A 57 5.132 5.083 3.072 1.00 1.15 H new ATOM 0 HD1 TRP A 57 4.717 6.170 -0.497 1.00 1.11 H new ATOM 0 HE1 TRP A 57 2.237 6.059 -1.188 1.00 1.09 H new ATOM 0 HE3 TRP A 57 2.624 5.297 4.094 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -0.323 5.743 0.104 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 0.171 5.079 4.332 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -1.304 5.316 2.354 1.00 1.06 H new ATOM 982 N LYS A 58 7.720 7.315 3.900 1.00 1.32 N ATOM 983 CA LYS A 58 8.737 7.224 4.925 1.00 1.42 C ATOM 984 C LYS A 58 8.403 8.183 6.086 1.00 1.43 C ATOM 985 O LYS A 58 8.821 7.957 7.219 1.00 1.51 O ATOM 986 CB LYS A 58 10.102 7.504 4.309 1.00 1.54 C ATOM 987 CG LYS A 58 10.377 6.627 3.091 1.00 1.98 C ATOM 988 CD LYS A 58 10.164 5.146 3.401 1.00 2.07 C ATOM 989 CE LYS A 58 8.886 4.610 2.767 1.00 2.58 C ATOM 990 NZ LYS A 58 8.731 3.145 2.978 1.00 2.89 N ATOM 0 H LYS A 58 8.057 7.638 2.993 1.00 1.32 H new ATOM 0 HA LYS A 58 8.764 6.217 5.342 1.00 1.42 H new ATOM 0 HB2 LYS A 58 10.159 8.553 4.019 1.00 1.54 H new ATOM 0 HB3 LYS A 58 10.877 7.337 5.057 1.00 1.54 H new ATOM 0 HG2 LYS A 58 9.722 6.925 2.272 1.00 1.98 H new ATOM 0 HG3 LYS A 58 11.401 6.784 2.753 1.00 1.98 H new ATOM 0 HD2 LYS A 58 11.017 4.573 3.038 1.00 2.07 H new ATOM 0 HD3 LYS A 58 10.121 5.004 4.481 1.00 2.07 H new ATOM 0 HE2 LYS A 58 8.026 5.130 3.189 1.00 2.58 H new ATOM 0 HE3 LYS A 58 8.894 4.823 1.698 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.849 2.821 2.531 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 9.538 2.646 2.553 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 8.697 2.943 3.998 1.00 2.89 H new ATOM 1004 N HIS A 59 7.665 9.269 5.780 1.00 1.39 N ATOM 1005 CA HIS A 59 7.227 10.235 6.797 1.00 1.40 C ATOM 1006 C HIS A 59 6.036 9.679 7.615 1.00 1.32 C ATOM 1007 O HIS A 59 5.928 9.965 8.804 1.00 1.35 O ATOM 1008 CB HIS A 59 6.897 11.588 6.169 1.00 1.43 C ATOM 1009 CG HIS A 59 8.106 12.347 5.706 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.333 13.670 6.028 1.00 1.81 N ATOM 1011 CD2 HIS A 59 9.142 11.973 4.918 1.00 1.59 C ATOM 1012 CE1 HIS A 59 9.453 14.076 5.452 1.00 1.93 C ATOM 1013 NE2 HIS A 59 9.964 13.064 4.774 1.00 1.79 N ATOM 0 H HIS A 59 7.361 9.496 4.833 1.00 1.39 H new ATOM 0 HA HIS A 59 8.054 10.393 7.489 1.00 1.40 H new ATOM 0 HB2 HIS A 59 6.230 11.432 5.321 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.354 12.193 6.895 1.00 1.43 H new ATOM 0 HD2 HIS A 59 9.294 10.996 4.483 1.00 1.59 H new ATOM 0 HE1 HIS A 59 9.877 15.067 5.524 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.828 13.089 4.232 1.00 1.79 H new ATOM 1022 N ILE A 60 5.107 8.942 6.969 1.00 1.23 N ATOM 1023 CA ILE A 60 4.025 8.270 7.705 1.00 1.20 C ATOM 1024 C ILE A 60 4.686 7.283 8.663 1.00 1.27 C ATOM 1025 O ILE A 60 4.351 7.302 9.837 1.00 1.33 O ATOM 1026 CB ILE A 60 2.986 7.606 6.775 1.00 1.15 C ATOM 1027 CG1 ILE A 60 2.163 8.722 6.093 1.00 1.14 C ATOM 1028 CG2 ILE A 60 2.071 6.644 7.560 1.00 1.18 C ATOM 1029 CD1 ILE A 60 1.231 8.229 4.985 1.00 1.14 C ATOM 0 H ILE A 60 5.087 8.801 5.959 1.00 1.23 H new ATOM 0 HA ILE A 60 3.441 9.000 8.264 1.00 1.20 H new ATOM 0 HB ILE A 60 3.497 7.010 6.019 1.00 1.15 H new ATOM 0 HG12 ILE A 60 1.569 9.234 6.850 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.849 9.459 5.674 1.00 1.14 H new ATOM 0 HG21 ILE A 60 1.350 6.191 6.880 1.00 1.18 H new ATOM 0 HG22 ILE A 60 2.675 5.862 8.021 1.00 1.18 H new ATOM 0 HG23 ILE A 60 1.541 7.197 8.335 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.692 9.075 4.560 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.818 7.744 4.205 1.00 1.14 H new ATOM 0 HD13 ILE A 60 0.518 7.516 5.399 1.00 1.14 H new ATOM 1238 N THR A 77 1.893 -0.379 3.409 1.00 1.35 N ATOM 1239 CA THR A 77 0.876 0.635 3.687 1.00 1.39 C ATOM 1240 C THR A 77 0.456 1.372 2.408 1.00 1.34 C ATOM 1241 O THR A 77 -0.696 1.780 2.269 1.00 1.38 O ATOM 1242 CB THR A 77 1.390 1.665 4.712 1.00 1.41 C ATOM 1243 OG1 THR A 77 2.227 1.020 5.678 1.00 1.48 O ATOM 1244 CG2 THR A 77 0.229 2.345 5.418 1.00 1.49 C ATOM 0 HA THR A 77 0.011 0.114 4.097 1.00 1.39 H new ATOM 0 HB THR A 77 1.967 2.420 4.178 1.00 1.41 H new ATOM 0 HG1 THR A 77 2.481 0.132 5.350 1.00 1.48 H new ATOM 0 HG21 THR A 77 0.614 3.068 6.137 1.00 1.49 H new ATOM 0 HG22 THR A 77 -0.393 2.858 4.684 1.00 1.49 H new ATOM 0 HG23 THR A 77 -0.368 1.597 5.940 1.00 1.49 H new ATOM 1252 N ARG A 78 1.404 1.528 1.487 1.00 1.27 N ATOM 1253 CA ARG A 78 1.163 2.199 0.207 1.00 1.25 C ATOM 1254 C ARG A 78 0.291 1.335 -0.713 1.00 1.30 C ATOM 1255 O ARG A 78 -0.598 1.833 -1.404 1.00 1.29 O ATOM 1256 CB ARG A 78 2.516 2.483 -0.463 1.00 1.25 C ATOM 1257 CG ARG A 78 2.426 3.024 -1.883 1.00 1.33 C ATOM 1258 CD ARG A 78 3.618 2.577 -2.719 1.00 1.40 C ATOM 1259 NE ARG A 78 3.928 3.525 -3.788 1.00 1.56 N ATOM 1260 CZ ARG A 78 5.004 3.438 -4.572 1.00 1.92 C ATOM 1261 NH1 ARG A 78 5.865 2.438 -4.427 1.00 2.01 N ATOM 1262 NH2 ARG A 78 5.217 4.356 -5.505 1.00 2.42 N ATOM 0 H ARG A 78 2.361 1.194 1.604 1.00 1.27 H new ATOM 0 HA ARG A 78 0.631 3.133 0.388 1.00 1.25 H new ATOM 0 HB2 ARG A 78 3.065 3.199 0.149 1.00 1.25 H new ATOM 0 HB3 ARG A 78 3.099 1.562 -0.477 1.00 1.25 H new ATOM 0 HG2 ARG A 78 1.502 2.680 -2.348 1.00 1.33 H new ATOM 0 HG3 ARG A 78 2.384 4.113 -1.858 1.00 1.33 H new ATOM 0 HD2 ARG A 78 4.489 2.461 -2.074 1.00 1.40 H new ATOM 0 HD3 ARG A 78 3.410 1.599 -3.152 1.00 1.40 H new ATOM 0 HE ARG A 78 3.283 4.300 -3.944 1.00 1.56 H new ATOM 0 HH11 ARG A 78 5.707 1.728 -3.712 1.00 2.01 H new ATOM 0 HH12 ARG A 78 6.685 2.379 -5.031 1.00 2.01 H new ATOM 0 HH21 ARG A 78 4.559 5.126 -5.622 1.00 2.42 H new ATOM 0 HH22 ARG A 78 6.039 4.292 -6.106 1.00 2.42 H new ATOM 1276 N ARG A 79 0.568 0.039 -0.693 1.00 1.37 N ATOM 1277 CA ARG A 79 -0.124 -0.951 -1.511 1.00 1.45 C ATOM 1278 C ARG A 79 -1.536 -1.267 -1.006 1.00 1.48 C ATOM 1279 O ARG A 79 -2.404 -1.642 -1.795 1.00 1.54 O ATOM 1280 CB ARG A 79 0.712 -2.235 -1.658 1.00 1.52 C ATOM 1281 CG ARG A 79 2.113 -1.972 -2.244 1.00 1.51 C ATOM 1282 CD ARG A 79 2.897 -3.268 -2.483 1.00 1.59 C ATOM 1283 NE ARG A 79 2.332 -4.065 -3.593 1.00 1.67 N ATOM 1284 CZ ARG A 79 2.733 -5.260 -3.990 1.00 1.76 C ATOM 1285 NH1 ARG A 79 3.714 -5.892 -3.411 1.00 1.79 N ATOM 1286 NH2 ARG A 79 2.151 -5.851 -4.995 1.00 1.82 N ATOM 0 H ARG A 79 1.292 -0.363 -0.098 1.00 1.37 H new ATOM 0 HA ARG A 79 -0.243 -0.502 -2.497 1.00 1.45 H new ATOM 0 HB2 ARG A 79 0.815 -2.710 -0.682 1.00 1.52 H new ATOM 0 HB3 ARG A 79 0.181 -2.937 -2.300 1.00 1.52 H new ATOM 0 HG2 ARG A 79 2.015 -1.431 -3.185 1.00 1.51 H new ATOM 0 HG3 ARG A 79 2.674 -1.331 -1.564 1.00 1.51 H new ATOM 0 HD2 ARG A 79 3.937 -3.026 -2.704 1.00 1.59 H new ATOM 0 HD3 ARG A 79 2.895 -3.865 -1.571 1.00 1.59 H new ATOM 0 HE ARG A 79 1.553 -3.650 -4.105 1.00 1.67 H new ATOM 0 HH11 ARG A 79 4.201 -5.465 -2.623 1.00 1.79 H new ATOM 0 HH12 ARG A 79 3.995 -6.814 -3.746 1.00 1.79 H new ATOM 0 HH21 ARG A 79 1.381 -5.391 -5.481 1.00 1.82 H new ATOM 0 HH22 ARG A 79 2.466 -6.773 -5.296 1.00 1.82 H new ATOM 1300 N HIS A 80 -1.782 -1.075 0.291 1.00 1.47 N ATOM 1301 CA HIS A 80 -3.117 -1.122 0.887 1.00 1.50 C ATOM 1302 C HIS A 80 -3.897 0.163 0.566 1.00 1.44 C ATOM 1303 O HIS A 80 -4.994 0.084 0.016 1.00 1.48 O ATOM 1304 CB HIS A 80 -2.992 -1.383 2.399 1.00 1.52 C ATOM 1305 CG HIS A 80 -2.207 -2.636 2.732 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -1.387 -2.816 3.825 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -2.172 -3.809 2.016 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -0.873 -4.057 3.769 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -1.321 -4.703 2.679 1.00 1.74 N ATOM 0 H HIS A 80 -1.045 -0.879 0.968 1.00 1.47 H new ATOM 0 HA HIS A 80 -3.689 -1.944 0.457 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -2.510 -0.526 2.869 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -3.990 -1.464 2.830 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -2.708 -4.007 1.100 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -0.195 -4.476 4.498 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -1.088 -5.654 2.392 1.00 1.74 H new ATOM 1318 N TYR A 81 -3.318 1.351 0.798 1.00 1.35 N ATOM 1319 CA TYR A 81 -3.972 2.648 0.554 1.00 1.29 C ATOM 1320 C TYR A 81 -4.463 2.810 -0.891 1.00 1.32 C ATOM 1321 O TYR A 81 -5.564 3.321 -1.112 1.00 1.34 O ATOM 1322 CB TYR A 81 -2.996 3.776 0.934 1.00 1.21 C ATOM 1323 CG TYR A 81 -3.579 5.188 0.968 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -3.887 5.868 -0.230 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -3.760 5.848 2.200 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -4.391 7.183 -0.196 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -4.194 7.188 2.233 1.00 1.12 C ATOM 1328 CZ TYR A 81 -4.527 7.859 1.037 1.00 1.12 C ATOM 1329 OH TYR A 81 -5.008 9.132 1.087 1.00 1.11 O ATOM 0 H TYR A 81 -2.370 1.440 1.165 1.00 1.35 H new ATOM 0 HA TYR A 81 -4.865 2.698 1.177 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -2.580 3.553 1.917 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -2.167 3.764 0.227 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -3.735 5.377 -1.180 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -3.565 5.324 3.124 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -4.674 7.675 -1.115 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -4.272 7.704 3.178 1.00 1.12 H new ATOM 0 HH TYR A 81 -5.612 9.283 0.330 1.00 1.11 H new ATOM 1339 N GLU A 82 -3.709 2.312 -1.885 1.00 1.34 N ATOM 1340 CA GLU A 82 -4.041 2.451 -3.303 1.00 1.39 C ATOM 1341 C GLU A 82 -5.250 1.603 -3.725 1.00 1.50 C ATOM 1342 O GLU A 82 -5.718 1.721 -4.860 1.00 1.56 O ATOM 1343 CB GLU A 82 -2.815 2.229 -4.202 1.00 1.40 C ATOM 1344 CG GLU A 82 -2.390 0.770 -4.348 1.00 1.46 C ATOM 1345 CD GLU A 82 -1.360 0.603 -5.479 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -1.771 0.628 -6.666 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -0.152 0.422 -5.193 1.00 1.46 O ATOM 0 H GLU A 82 -2.844 1.797 -1.720 1.00 1.34 H new ATOM 0 HA GLU A 82 -4.352 3.486 -3.446 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -3.029 2.632 -5.192 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -1.978 2.799 -3.800 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -1.964 0.416 -3.409 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -3.264 0.152 -4.554 1.00 1.46 H new ATOM 1354 N ARG A 83 -5.768 0.763 -2.809 1.00 1.53 N ATOM 1355 CA ARG A 83 -7.044 0.063 -3.002 1.00 1.64 C ATOM 1356 C ARG A 83 -8.062 0.293 -1.876 1.00 1.64 C ATOM 1357 O ARG A 83 -9.211 -0.114 -2.029 1.00 1.73 O ATOM 1358 CB ARG A 83 -6.805 -1.448 -3.204 1.00 1.73 C ATOM 1359 CG ARG A 83 -5.976 -1.818 -4.442 1.00 1.75 C ATOM 1360 CD ARG A 83 -6.660 -1.436 -5.764 1.00 1.81 C ATOM 1361 NE ARG A 83 -5.801 -1.770 -6.917 1.00 1.84 N ATOM 1362 CZ ARG A 83 -4.761 -1.074 -7.347 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -4.488 0.119 -6.913 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -3.940 -1.576 -8.223 1.00 1.82 N ATOM 0 H ARG A 83 -5.314 0.554 -1.920 1.00 1.53 H new ATOM 0 HA ARG A 83 -7.486 0.495 -3.900 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -6.304 -1.842 -2.320 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -7.772 -1.947 -3.271 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -5.007 -1.321 -4.385 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -5.785 -2.891 -4.436 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -7.612 -1.960 -5.850 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -6.882 -0.369 -5.768 1.00 1.81 H new ATOM 0 HE ARG A 83 -6.031 -2.620 -7.432 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -5.086 0.556 -6.212 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -3.675 0.619 -7.273 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -4.094 -2.516 -8.586 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -3.142 -1.029 -8.546 1.00 1.82 H new ATOM 1378 N LEU A 84 -7.669 0.959 -0.784 1.00 1.56 N ATOM 1379 CA LEU A 84 -8.488 1.023 0.430 1.00 1.57 C ATOM 1380 C LEU A 84 -8.955 2.452 0.758 1.00 1.51 C ATOM 1381 O LEU A 84 -9.818 2.628 1.609 1.00 1.54 O ATOM 1382 CB LEU A 84 -7.639 0.398 1.549 1.00 1.56 C ATOM 1383 CG LEU A 84 -8.344 0.174 2.889 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -9.540 -0.764 2.774 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -7.360 -0.436 3.883 1.00 1.61 C ATOM 0 H LEU A 84 -6.785 1.463 -0.717 1.00 1.56 H new ATOM 0 HA LEU A 84 -9.419 0.471 0.300 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -7.261 -0.562 1.196 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -6.774 1.038 1.720 1.00 1.56 H new ATOM 0 HG LEU A 84 -8.703 1.147 3.224 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -10.002 -0.887 3.754 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -10.268 -0.343 2.080 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -9.207 -1.734 2.406 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -7.860 -0.596 4.838 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -6.998 -1.389 3.498 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -6.518 0.242 4.024 1.00 1.61 H new ATOM 1397 N ILE A 85 -8.417 3.466 0.069 1.00 1.44 N ATOM 1398 CA ILE A 85 -8.976 4.831 0.124 1.00 1.41 C ATOM 1399 C ILE A 85 -8.605 5.704 -1.073 1.00 1.39 C ATOM 1400 O ILE A 85 -9.378 6.600 -1.390 1.00 1.42 O ATOM 1401 CB ILE A 85 -8.669 5.525 1.463 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -9.505 6.820 1.602 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -7.173 5.798 1.643 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -9.733 7.261 3.048 1.00 1.33 C ATOM 0 H ILE A 85 -7.598 3.372 -0.532 1.00 1.44 H new ATOM 0 HA ILE A 85 -10.056 4.702 0.060 1.00 1.41 H new ATOM 0 HB ILE A 85 -8.956 4.843 2.264 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -9.003 7.624 1.063 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -10.472 6.669 1.122 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -7.005 6.289 2.602 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -6.625 4.856 1.617 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -6.822 6.444 0.839 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -10.327 8.175 3.060 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -10.263 6.477 3.588 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -8.772 7.446 3.528 1.00 1.33 H new ATOM 1416 N LEU A 86 -7.532 5.419 -1.817 1.00 1.37 N ATOM 1417 CA LEU A 86 -7.284 6.059 -3.117 1.00 1.39 C ATOM 1418 C LEU A 86 -8.523 6.044 -4.055 1.00 1.49 C ATOM 1419 O LEU A 86 -8.802 7.082 -4.662 1.00 1.52 O ATOM 1420 CB LEU A 86 -6.046 5.412 -3.755 1.00 1.37 C ATOM 1421 CG LEU A 86 -5.614 5.978 -5.120 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -5.324 7.481 -5.070 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -4.357 5.270 -5.614 1.00 1.40 C ATOM 0 H LEU A 86 -6.817 4.746 -1.541 1.00 1.37 H new ATOM 0 HA LEU A 86 -7.089 7.119 -2.952 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -5.211 5.512 -3.062 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -6.238 4.345 -3.871 1.00 1.37 H new ATOM 0 HG LEU A 86 -6.450 5.808 -5.799 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.024 7.827 -6.059 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -6.221 8.014 -4.756 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -4.520 7.673 -4.359 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -4.064 5.681 -6.580 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -3.550 5.418 -4.896 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -4.557 4.204 -5.719 1.00 1.40 H new ATOM 1435 N PRO A 87 -9.326 4.953 -4.150 1.00 1.58 N ATOM 1436 CA PRO A 87 -10.586 4.976 -4.902 1.00 1.69 C ATOM 1437 C PRO A 87 -11.744 5.743 -4.229 1.00 1.71 C ATOM 1438 O PRO A 87 -12.708 6.063 -4.930 1.00 1.80 O ATOM 1439 CB PRO A 87 -10.957 3.505 -5.132 1.00 1.78 C ATOM 1440 CG PRO A 87 -10.316 2.786 -3.951 1.00 1.71 C ATOM 1441 CD PRO A 87 -9.027 3.577 -3.748 1.00 1.59 C ATOM 0 HA PRO A 87 -10.431 5.530 -5.828 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -12.037 3.362 -5.150 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -10.571 3.138 -6.083 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -10.952 2.811 -3.066 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -10.119 1.737 -4.172 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -8.705 3.536 -2.707 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -8.217 3.163 -4.349 1.00 1.59 H new ATOM 1449 N TYR A 88 -11.686 6.059 -2.923 1.00 1.63 N ATOM 1450 CA TYR A 88 -12.793 6.733 -2.216 1.00 1.66 C ATOM 1451 C TYR A 88 -12.516 8.207 -1.864 1.00 1.59 C ATOM 1452 O TYR A 88 -13.440 9.012 -1.939 1.00 1.64 O ATOM 1453 CB TYR A 88 -13.274 5.888 -1.020 1.00 1.68 C ATOM 1454 CG TYR A 88 -14.588 5.146 -1.258 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -14.859 4.514 -2.493 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -15.556 5.088 -0.234 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -16.079 3.841 -2.700 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -16.782 4.425 -0.440 1.00 1.97 C ATOM 1459 CZ TYR A 88 -17.045 3.796 -1.675 1.00 2.05 C ATOM 1460 OH TYR A 88 -18.223 3.143 -1.883 1.00 2.17 O ATOM 0 H TYR A 88 -10.880 5.857 -2.332 1.00 1.63 H new ATOM 0 HA TYR A 88 -13.622 6.797 -2.921 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -12.501 5.161 -0.770 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -13.391 6.540 -0.154 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -14.125 4.547 -3.284 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -15.355 5.557 0.718 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -16.274 3.358 -3.646 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -17.520 4.398 0.348 1.00 1.97 H new ATOM 0 HH TYR A 88 -18.202 2.701 -2.757 1.00 2.17 H new ATOM 1470 N GLU A 89 -11.267 8.640 -1.639 1.00 1.50 N ATOM 1471 CA GLU A 89 -10.936 10.082 -1.565 1.00 1.46 C ATOM 1472 C GLU A 89 -11.331 10.836 -2.861 1.00 1.53 C ATOM 1473 O GLU A 89 -11.470 12.058 -2.861 1.00 1.55 O ATOM 1474 CB GLU A 89 -9.457 10.332 -1.197 1.00 1.36 C ATOM 1475 CG GLU A 89 -8.436 9.949 -2.282 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.034 10.512 -1.970 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -6.318 9.947 -1.110 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -6.639 11.526 -2.604 1.00 1.29 O ATOM 0 H GLU A 89 -10.468 8.020 -1.505 1.00 1.50 H new ATOM 0 HA GLU A 89 -11.537 10.490 -0.753 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -9.332 11.389 -0.961 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -9.226 9.773 -0.290 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -8.382 8.863 -2.364 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -8.773 10.326 -3.248 1.00 1.35 H new ATOM 1485 N ARG A 90 -11.600 10.068 -3.929 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.200 10.593 -5.162 1.00 1.71 C ATOM 1487 C ARG A 90 -13.488 11.408 -4.933 1.00 1.78 C ATOM 1488 O ARG A 90 -13.677 12.405 -5.627 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.416 9.412 -6.128 1.00 1.78 C ATOM 1490 CG ARG A 90 -12.755 9.860 -7.556 1.00 1.89 C ATOM 1491 CD ARG A 90 -12.792 8.654 -8.501 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.073 9.065 -9.890 1.00 2.08 N ATOM 1493 CZ ARG A 90 -12.979 8.311 -10.972 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -12.628 7.056 -10.918 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.241 8.808 -12.146 1.00 2.25 N ATOM 0 H ARG A 90 -11.407 9.067 -3.960 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.512 11.315 -5.601 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -11.516 8.798 -6.150 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.222 8.783 -5.750 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -13.720 10.367 -7.565 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -12.014 10.580 -7.904 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -11.837 8.130 -8.461 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -13.555 7.951 -8.167 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.371 10.031 -10.030 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -12.415 6.624 -10.019 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -12.567 6.506 -11.775 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -13.521 9.785 -12.235 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.166 8.221 -12.977 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.335 11.071 -3.946 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.486 11.928 -3.591 1.00 1.84 C ATOM 1511 C PHE A 91 -15.079 13.188 -2.801 1.00 1.78 C ATOM 1512 O PHE A 91 -15.725 14.227 -2.933 1.00 1.84 O ATOM 1513 CB PHE A 91 -16.614 11.142 -2.887 1.00 1.89 C ATOM 1514 CG PHE A 91 -16.364 10.648 -1.467 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.338 11.548 -0.379 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -16.209 9.270 -1.216 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.058 11.086 0.919 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -15.920 8.813 0.079 1.00 1.76 C ATOM 1519 CZ PHE A 91 -15.812 9.722 1.138 1.00 1.70 C ATOM 0 H PHE A 91 -14.250 10.224 -3.385 1.00 1.78 H new ATOM 0 HA PHE A 91 -15.893 12.281 -4.539 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.501 11.775 -2.869 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -16.853 10.276 -3.504 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.534 12.597 -0.545 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -16.313 8.562 -2.025 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.032 11.780 1.746 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -15.781 7.757 0.259 1.00 1.76 H new ATOM 0 HZ PHE A 91 -15.539 9.374 2.123 1.00 1.70 H new ATOM 1529 N ILE A 92 -13.982 13.135 -2.034 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.504 14.296 -1.255 1.00 1.62 C ATOM 1531 C ILE A 92 -12.852 15.316 -2.197 1.00 1.64 C ATOM 1532 O ILE A 92 -13.088 16.518 -2.101 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.502 13.847 -0.156 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.107 12.738 0.740 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.073 15.053 0.702 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.149 12.146 1.779 1.00 1.43 C ATOM 0 H ILE A 92 -13.404 12.300 -1.933 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.355 14.763 -0.760 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.624 13.435 -0.652 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -13.975 13.145 1.259 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -13.467 11.932 0.100 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.371 14.723 1.468 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.594 15.799 0.068 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -12.950 15.491 1.178 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -12.666 11.379 2.355 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.292 11.703 1.272 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -11.807 12.934 2.449 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.076 14.813 -3.158 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.256 15.643 -4.050 1.00 1.66 C ATOM 1550 C LYS A 93 -11.967 16.005 -5.362 1.00 1.78 C ATOM 1551 O LYS A 93 -11.442 16.782 -6.160 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.957 14.855 -4.270 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.778 15.717 -4.735 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.453 14.991 -4.473 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.326 13.697 -5.289 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.095 12.964 -4.920 1.00 1.41 N ATOM 0 H LYS A 93 -11.996 13.813 -3.343 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.054 16.615 -3.600 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.685 14.356 -3.340 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.138 14.075 -5.010 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.876 15.937 -5.798 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.787 16.672 -4.210 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.623 15.655 -4.717 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.373 14.758 -3.411 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.197 13.065 -5.116 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.310 13.932 -6.353 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -5.948 12.177 -5.583 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.281 13.610 -4.962 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.190 12.590 -3.954 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.176 15.467 -5.553 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.993 15.726 -6.741 1.00 1.97 C ATOM 1572 C GLY A 94 -15.354 16.361 -6.436 1.00 2.05 C ATOM 1573 O GLY A 94 -15.947 16.950 -7.338 1.00 2.15 O ATOM 0 H GLY A 94 -13.617 14.836 -4.884 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -13.440 16.382 -7.413 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -14.152 14.787 -7.271 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.844 16.290 -5.188 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.179 16.792 -4.798 1.00 2.08 C ATOM 1579 C GLU A 95 -17.227 17.459 -3.403 1.00 2.02 C ATOM 1580 O GLU A 95 -18.291 17.572 -2.789 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.239 15.672 -4.918 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.379 15.062 -6.321 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.554 14.071 -6.378 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.699 14.492 -6.678 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.344 12.856 -6.137 1.00 2.26 O ATOM 0 H GLU A 95 -15.324 15.880 -4.412 1.00 2.00 H new ATOM 0 HA GLU A 95 -17.414 17.589 -5.504 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.988 14.877 -4.216 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.206 16.073 -4.614 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.532 15.855 -7.052 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.455 14.552 -6.593 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.083 17.940 -2.900 1.00 1.94 N ATOM 1593 CA GLU A 96 -16.004 18.709 -1.643 1.00 1.90 C ATOM 1594 C GLU A 96 -14.833 19.715 -1.576 1.00 1.87 C ATOM 1595 O GLU A 96 -15.043 20.872 -1.206 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.960 17.743 -0.439 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.167 18.469 0.896 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.275 17.469 2.064 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.405 17.017 2.379 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.239 17.145 2.691 1.00 1.68 O ATOM 0 H GLU A 96 -15.179 17.808 -3.353 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.906 19.319 -1.608 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.730 16.981 -0.559 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.000 17.227 -0.425 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.336 19.152 1.074 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -17.072 19.074 0.847 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.636 19.283 -1.958 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.463 20.153 -1.920 1.00 1.78 C ATOM 1609 C ASP A 97 -12.288 20.928 -3.225 1.00 1.87 C ATOM 1610 O ASP A 97 -12.536 22.133 -3.279 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.205 19.333 -1.630 1.00 1.78 C ATOM 1612 CG ASP A 97 -11.067 18.985 -0.161 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.976 18.324 0.383 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -10.049 19.378 0.449 1.00 2.20 O ATOM 0 H ASP A 97 -13.451 18.339 -2.297 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.618 20.877 -1.120 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -11.230 18.415 -2.217 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.327 19.893 -1.952 1.00 1.78 H new