USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 Single : A 5 SER OG : rot -26:sc= 0.203 USER MOD Single : A 12 SER OG : rot -31:sc= 0.0866 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 11:sc= 0.137 USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0528 (180deg=-0.371) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc=-0.00845 (180deg=-0.0748) USER MOD Single : A 30 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 32 HIS : no HE2:sc= 1 K(o=1,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.151 (180deg=-0.393) USER MOD Single : A 35 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.073) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0648 (180deg=-0.275) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.45! C(o=-4.4!,f=-1.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -76:sc= 1.32 USER MOD Single : A 61 SER OG : rot 180:sc= -0.143 USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= 0.122 (180deg=-0.103) USER MOD Single : A 66 LYS NZ :NH3+ -141:sc= 2.26 (180deg=1.78) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -9.589 -3.615 4.527 1.00 0.00 N ATOM 46 CA SER A 5 -9.258 -2.260 4.100 1.00 0.00 C ATOM 47 C SER A 5 -8.844 -1.379 5.281 1.00 0.00 C ATOM 48 O SER A 5 -9.309 -1.565 6.408 1.00 0.00 O ATOM 49 CB SER A 5 -10.452 -1.644 3.363 1.00 0.00 C ATOM 50 OG SER A 5 -11.651 -1.787 4.110 1.00 0.00 O ATOM 0 HA SER A 5 -8.405 -2.317 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.261 -0.587 3.177 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.568 -2.123 2.391 1.00 0.00 H new ATOM 0 HG SER A 5 -11.575 -2.562 4.705 1.00 0.00 H new ATOM 56 N ARG A 6 -7.954 -0.434 5.013 1.00 0.00 N ATOM 57 CA ARG A 6 -7.420 0.440 6.045 1.00 0.00 C ATOM 58 C ARG A 6 -6.862 1.712 5.446 1.00 0.00 C ATOM 59 O ARG A 6 -6.931 1.921 4.245 1.00 0.00 O ATOM 60 CB ARG A 6 -6.333 -0.259 6.845 1.00 0.00 C ATOM 61 CG ARG A 6 -5.210 -0.846 6.011 1.00 0.00 C ATOM 62 CD ARG A 6 -4.494 -1.946 6.779 1.00 0.00 C ATOM 63 NE ARG A 6 -5.448 -2.913 7.327 1.00 0.00 N ATOM 64 CZ ARG A 6 -5.199 -3.720 8.360 1.00 0.00 C ATOM 65 NH1 ARG A 6 -3.990 -3.769 8.909 1.00 0.00 N ATOM 66 NH2 ARG A 6 -6.170 -4.483 8.840 1.00 0.00 N ATOM 0 H ARG A 6 -7.584 -0.253 4.080 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.244 0.693 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.908 0.452 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.788 -1.058 7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.612 -1.247 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.502 -0.063 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.792 -2.457 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.910 -1.508 7.588 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.367 -2.974 6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.239 -3.185 8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.813 -4.390 9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.099 -4.451 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.989 -5.103 9.629 1.00 0.00 H new ATOM 80 N LEU A 7 -6.313 2.554 6.295 1.00 0.00 N ATOM 81 CA LEU A 7 -5.821 3.849 5.869 1.00 0.00 C ATOM 82 C LEU A 7 -4.360 3.744 5.438 1.00 0.00 C ATOM 83 O LEU A 7 -3.470 3.606 6.277 1.00 0.00 O ATOM 84 CB LEU A 7 -5.963 4.866 7.008 1.00 0.00 C ATOM 85 CG LEU A 7 -6.551 6.224 6.612 1.00 0.00 C ATOM 86 CD1 LEU A 7 -6.435 7.218 7.753 1.00 0.00 C ATOM 87 CD2 LEU A 7 -5.868 6.768 5.375 1.00 0.00 C ATOM 0 H LEU A 7 -6.195 2.364 7.290 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.413 4.186 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.592 4.430 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.980 5.030 7.449 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.607 6.076 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.859 8.174 7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.977 6.841 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.385 7.353 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.303 7.733 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.803 6.891 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.006 6.072 4.548 1.00 0.00 H new ATOM 99 N TRP A 8 -4.130 3.821 4.135 1.00 0.00 N ATOM 100 CA TRP A 8 -2.786 3.752 3.573 1.00 0.00 C ATOM 101 C TRP A 8 -2.215 5.154 3.464 1.00 0.00 C ATOM 102 O TRP A 8 -2.929 6.090 3.109 1.00 0.00 O ATOM 103 CB TRP A 8 -2.813 3.105 2.184 1.00 0.00 C ATOM 104 CG TRP A 8 -3.329 1.699 2.177 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.587 1.289 2.496 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.604 0.522 1.808 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.690 -0.071 2.367 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.486 -0.567 1.943 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.297 0.281 1.383 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.100 -1.874 1.666 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.915 -1.017 1.108 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.815 -2.081 1.249 1.00 0.00 C ATOM 0 H TRP A 8 -4.867 3.933 3.438 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.163 3.144 4.229 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.433 3.712 1.524 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.804 3.113 1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.389 1.942 2.806 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.526 -0.624 2.556 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.597 1.095 1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.791 -2.696 1.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.094 -1.215 0.779 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.487 -3.085 1.024 1.00 0.00 H new ATOM 123 N VAL A 9 -0.941 5.299 3.769 1.00 0.00 N ATOM 124 CA VAL A 9 -0.303 6.607 3.813 1.00 0.00 C ATOM 125 C VAL A 9 0.991 6.584 3.002 1.00 0.00 C ATOM 126 O VAL A 9 1.535 5.520 2.729 1.00 0.00 O ATOM 127 CB VAL A 9 -0.023 7.006 5.293 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.745 8.314 5.407 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.328 7.098 6.078 1.00 0.00 C ATOM 0 H VAL A 9 -0.319 4.522 3.992 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.969 7.350 3.374 1.00 0.00 H new ATOM 0 HB VAL A 9 0.603 6.222 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.914 8.546 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.704 8.218 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.168 9.116 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.113 7.378 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.973 7.851 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.831 6.131 6.062 1.00 0.00 H new ATOM 139 N ASP A 10 1.455 7.751 2.572 1.00 0.00 N ATOM 140 CA ASP A 10 2.724 7.847 1.858 1.00 0.00 C ATOM 141 C ASP A 10 3.867 8.108 2.833 1.00 0.00 C ATOM 142 O ASP A 10 3.633 8.525 3.965 1.00 0.00 O ATOM 143 CB ASP A 10 2.668 8.929 0.762 1.00 0.00 C ATOM 144 CG ASP A 10 3.735 10.005 0.894 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.881 9.784 0.448 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.434 11.072 1.450 1.00 0.00 O ATOM 0 H ASP A 10 0.975 8.641 2.704 1.00 0.00 H new ATOM 0 HA ASP A 10 2.909 6.893 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.770 8.450 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.686 9.402 0.784 1.00 0.00 H new ATOM 151 N ARG A 11 5.089 7.862 2.397 1.00 0.00 N ATOM 152 CA ARG A 11 6.260 7.995 3.257 1.00 0.00 C ATOM 153 C ARG A 11 6.366 9.415 3.833 1.00 0.00 C ATOM 154 O ARG A 11 6.722 9.595 5.000 1.00 0.00 O ATOM 155 CB ARG A 11 7.514 7.617 2.455 1.00 0.00 C ATOM 156 CG ARG A 11 8.810 7.558 3.258 1.00 0.00 C ATOM 157 CD ARG A 11 9.473 8.921 3.378 1.00 0.00 C ATOM 158 NE ARG A 11 9.629 9.571 2.074 1.00 0.00 N ATOM 159 CZ ARG A 11 10.566 10.476 1.792 1.00 0.00 C ATOM 160 NH1 ARG A 11 11.501 10.776 2.687 1.00 0.00 N ATOM 161 NH2 ARG A 11 10.581 11.060 0.599 1.00 0.00 N ATOM 0 H ARG A 11 5.301 7.566 1.444 1.00 0.00 H new ATOM 0 HA ARG A 11 6.164 7.318 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.349 6.644 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.639 8.338 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.601 7.168 4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.499 6.861 2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.877 9.558 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.451 8.809 3.847 1.00 0.00 H new ATOM 0 HE ARG A 11 8.977 9.314 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.504 10.313 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.215 11.469 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.877 10.815 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.296 11.753 0.379 1.00 0.00 H new ATOM 175 N SER A 12 6.025 10.415 3.026 1.00 0.00 N ATOM 176 CA SER A 12 6.130 11.808 3.454 1.00 0.00 C ATOM 177 C SER A 12 4.903 12.238 4.256 1.00 0.00 C ATOM 178 O SER A 12 4.924 13.266 4.938 1.00 0.00 O ATOM 179 CB SER A 12 6.318 12.723 2.238 1.00 0.00 C ATOM 180 OG SER A 12 6.561 14.067 2.631 1.00 0.00 O ATOM 0 H SER A 12 5.675 10.289 2.076 1.00 0.00 H new ATOM 0 HA SER A 12 7.001 11.895 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.152 12.363 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.429 12.682 1.609 1.00 0.00 H new ATOM 0 HG SER A 12 6.092 14.252 3.471 1.00 0.00 H new ATOM 186 N GLY A 13 3.839 11.451 4.174 1.00 0.00 N ATOM 187 CA GLY A 13 2.621 11.767 4.892 1.00 0.00 C ATOM 188 C GLY A 13 1.681 12.632 4.077 1.00 0.00 C ATOM 189 O GLY A 13 0.750 13.230 4.618 1.00 0.00 O ATOM 0 H GLY A 13 3.798 10.595 3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.114 10.842 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.872 12.281 5.820 1.00 0.00 H new ATOM 193 N THR A 14 1.918 12.692 2.778 1.00 0.00 N ATOM 194 CA THR A 14 1.101 13.490 1.880 1.00 0.00 C ATOM 195 C THR A 14 -0.143 12.711 1.474 1.00 0.00 C ATOM 196 O THR A 14 -1.231 13.269 1.326 1.00 0.00 O ATOM 197 CB THR A 14 1.898 13.875 0.617 1.00 0.00 C ATOM 198 OG1 THR A 14 3.166 14.423 0.993 1.00 0.00 O ATOM 199 CG2 THR A 14 1.136 14.884 -0.233 1.00 0.00 C ATOM 0 H THR A 14 2.678 12.192 2.318 1.00 0.00 H new ATOM 0 HA THR A 14 0.807 14.399 2.404 1.00 0.00 H new ATOM 0 HB THR A 14 2.047 12.973 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.670 14.665 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.725 15.135 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.184 14.453 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.954 15.787 0.350 1.00 0.00 H new ATOM 207 N PHE A 15 0.032 11.413 1.291 1.00 0.00 N ATOM 208 CA PHE A 15 -1.063 10.533 0.927 1.00 0.00 C ATOM 209 C PHE A 15 -1.680 9.864 2.137 1.00 0.00 C ATOM 210 O PHE A 15 -0.976 9.436 3.045 1.00 0.00 O ATOM 211 CB PHE A 15 -0.573 9.443 -0.017 1.00 0.00 C ATOM 212 CG PHE A 15 -0.689 9.793 -1.461 1.00 0.00 C ATOM 213 CD1 PHE A 15 -0.003 10.871 -1.983 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.492 9.040 -2.296 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.113 11.196 -3.317 1.00 0.00 C ATOM 216 CE2 PHE A 15 -1.609 9.358 -3.635 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.917 10.438 -4.148 1.00 0.00 C ATOM 0 H PHE A 15 0.932 10.943 1.390 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.816 11.154 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.470 9.222 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.140 8.531 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.627 11.466 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.033 8.195 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.428 12.042 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.240 8.764 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.004 10.689 -5.195 1.00 0.00 H new ATOM 227 N LYS A 16 -2.999 9.800 2.139 1.00 0.00 N ATOM 228 CA LYS A 16 -3.720 8.894 3.010 1.00 0.00 C ATOM 229 C LYS A 16 -5.050 8.525 2.371 1.00 0.00 C ATOM 230 O LYS A 16 -5.798 9.393 1.918 1.00 0.00 O ATOM 231 CB LYS A 16 -3.937 9.480 4.410 1.00 0.00 C ATOM 232 CG LYS A 16 -4.635 10.827 4.431 1.00 0.00 C ATOM 233 CD LYS A 16 -4.947 11.256 5.854 1.00 0.00 C ATOM 234 CE LYS A 16 -3.693 11.651 6.617 1.00 0.00 C ATOM 235 NZ LYS A 16 -4.003 12.045 8.019 1.00 0.00 N ATOM 0 H LYS A 16 -3.596 10.371 1.541 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.113 7.998 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.522 8.773 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.969 9.580 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.004 11.575 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.558 10.772 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.640 12.097 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.448 10.441 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.991 10.817 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.202 12.479 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.124 12.308 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.653 12.857 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.449 11.246 8.514 1.00 0.00 H new ATOM 249 N VAL A 17 -5.329 7.236 2.319 1.00 0.00 N ATOM 250 CA VAL A 17 -6.568 6.739 1.737 1.00 0.00 C ATOM 251 C VAL A 17 -6.987 5.422 2.354 1.00 0.00 C ATOM 252 O VAL A 17 -6.170 4.528 2.559 1.00 0.00 O ATOM 253 CB VAL A 17 -6.479 6.537 0.209 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.187 7.663 -0.514 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.034 6.416 -0.255 1.00 0.00 C ATOM 0 H VAL A 17 -4.711 6.507 2.675 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.307 7.511 1.951 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.979 5.600 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.115 7.506 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.236 7.682 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.720 8.613 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.009 6.275 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.491 7.325 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.565 5.562 0.233 1.00 0.00 H new ATOM 265 N ASP A 18 -8.265 5.316 2.648 1.00 0.00 N ATOM 266 CA ASP A 18 -8.840 4.071 3.119 1.00 0.00 C ATOM 267 C ASP A 18 -8.997 3.125 1.955 1.00 0.00 C ATOM 268 O ASP A 18 -9.839 3.315 1.075 1.00 0.00 O ATOM 269 CB ASP A 18 -10.181 4.314 3.808 1.00 0.00 C ATOM 270 CG ASP A 18 -11.102 5.225 3.011 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.777 6.427 2.864 1.00 0.00 O ATOM 272 OD2 ASP A 18 -12.155 4.752 2.533 1.00 0.00 O ATOM 0 H ASP A 18 -8.932 6.084 2.569 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.172 3.625 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.678 3.358 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.005 4.754 4.790 1.00 0.00 H new ATOM 277 N ALA A 19 -8.173 2.104 1.957 1.00 0.00 N ATOM 278 CA ALA A 19 -8.059 1.232 0.807 1.00 0.00 C ATOM 279 C ALA A 19 -7.732 -0.190 1.218 1.00 0.00 C ATOM 280 O ALA A 19 -7.379 -0.462 2.364 1.00 0.00 O ATOM 281 CB ALA A 19 -7.006 1.768 -0.148 1.00 0.00 C ATOM 0 H ALA A 19 -7.570 1.855 2.741 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.023 1.212 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.926 1.106 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.291 2.766 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.044 1.817 0.362 1.00 0.00 H new ATOM 287 N GLU A 20 -7.866 -1.088 0.269 1.00 0.00 N ATOM 288 CA GLU A 20 -7.654 -2.504 0.491 1.00 0.00 C ATOM 289 C GLU A 20 -6.793 -3.065 -0.630 1.00 0.00 C ATOM 290 O GLU A 20 -7.130 -2.913 -1.798 1.00 0.00 O ATOM 291 CB GLU A 20 -9.021 -3.171 0.494 1.00 0.00 C ATOM 292 CG GLU A 20 -9.085 -4.548 1.107 1.00 0.00 C ATOM 293 CD GLU A 20 -10.519 -5.023 1.181 1.00 0.00 C ATOM 294 OE1 GLU A 20 -11.153 -5.163 0.110 1.00 0.00 O ATOM 295 OE2 GLU A 20 -11.040 -5.200 2.303 1.00 0.00 O ATOM 0 H GLU A 20 -8.128 -0.856 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.144 -2.685 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.717 -2.525 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.373 -3.237 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.494 -5.246 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.649 -4.530 2.106 1.00 0.00 H new ATOM 302 N PHE A 21 -5.681 -3.689 -0.289 1.00 0.00 N ATOM 303 CA PHE A 21 -4.787 -4.227 -1.307 1.00 0.00 C ATOM 304 C PHE A 21 -5.467 -5.348 -2.067 1.00 0.00 C ATOM 305 O PHE A 21 -6.037 -6.266 -1.479 1.00 0.00 O ATOM 306 CB PHE A 21 -3.481 -4.732 -0.698 1.00 0.00 C ATOM 307 CG PHE A 21 -2.615 -5.500 -1.670 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.758 -4.853 -2.552 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.671 -6.883 -1.705 1.00 0.00 C ATOM 310 CE1 PHE A 21 -0.981 -5.571 -3.437 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.895 -7.605 -2.589 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.051 -6.947 -3.456 1.00 0.00 C ATOM 0 H PHE A 21 -5.374 -3.837 0.672 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.548 -3.416 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.916 -3.882 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.711 -5.372 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.700 -3.775 -2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.333 -7.405 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.318 -5.055 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.949 -8.684 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.444 -7.509 -4.150 1.00 0.00 H new ATOM 322 N ILE A 22 -5.406 -5.250 -3.376 1.00 0.00 N ATOM 323 CA ILE A 22 -5.995 -6.251 -4.243 1.00 0.00 C ATOM 324 C ILE A 22 -4.903 -6.990 -4.994 1.00 0.00 C ATOM 325 O ILE A 22 -4.812 -8.219 -4.959 1.00 0.00 O ATOM 326 CB ILE A 22 -6.944 -5.613 -5.278 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.459 -4.262 -4.788 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.115 -6.538 -5.550 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.374 -3.574 -5.775 1.00 0.00 C ATOM 0 H ILE A 22 -4.951 -4.481 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.562 -6.936 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.384 -5.456 -6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.992 -4.404 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.609 -3.612 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.779 -6.079 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.746 -7.487 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.662 -6.714 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.703 -2.620 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.838 -3.401 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.242 -4.205 -5.967 1.00 0.00 H new ATOM 341 N GLY A 23 -4.071 -6.219 -5.668 1.00 0.00 N ATOM 342 CA GLY A 23 -3.009 -6.782 -6.467 1.00 0.00 C ATOM 343 C GLY A 23 -1.950 -5.755 -6.780 1.00 0.00 C ATOM 344 O GLY A 23 -2.257 -4.586 -7.009 1.00 0.00 O ATOM 0 H GLY A 23 -4.113 -5.200 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.558 -7.621 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.421 -7.176 -7.396 1.00 0.00 H new ATOM 348 N CYS A 24 -0.705 -6.179 -6.774 1.00 0.00 N ATOM 349 CA CYS A 24 0.401 -5.280 -7.030 1.00 0.00 C ATOM 350 C CYS A 24 0.904 -5.505 -8.455 1.00 0.00 C ATOM 351 O CYS A 24 0.905 -6.639 -8.940 1.00 0.00 O ATOM 352 CB CYS A 24 1.503 -5.517 -5.993 1.00 0.00 C ATOM 353 SG CYS A 24 2.429 -7.054 -6.224 1.00 0.00 S ATOM 0 H CYS A 24 -0.432 -7.145 -6.594 1.00 0.00 H new ATOM 0 HA CYS A 24 0.080 -4.242 -6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.200 -4.679 -6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.055 -5.523 -4.999 1.00 0.00 H new ATOM 0 HG CYS A 24 2.132 -7.570 -7.380 1.00 0.00 H new ATOM 359 N ALA A 25 1.302 -4.439 -9.140 1.00 0.00 N ATOM 360 CA ALA A 25 1.681 -4.548 -10.541 1.00 0.00 C ATOM 361 C ALA A 25 2.690 -3.480 -10.922 1.00 0.00 C ATOM 362 O ALA A 25 2.459 -2.295 -10.690 1.00 0.00 O ATOM 363 CB ALA A 25 0.449 -4.444 -11.433 1.00 0.00 C ATOM 0 H ALA A 25 1.370 -3.498 -8.751 1.00 0.00 H new ATOM 0 HA ALA A 25 2.146 -5.523 -10.687 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.748 -4.527 -12.478 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.246 -5.248 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.038 -3.482 -11.270 1.00 0.00 H new ATOM 369 N LYS A 26 3.805 -3.916 -11.498 1.00 0.00 N ATOM 370 CA LYS A 26 4.846 -3.013 -11.991 1.00 0.00 C ATOM 371 C LYS A 26 5.332 -2.076 -10.888 1.00 0.00 C ATOM 372 O LYS A 26 5.533 -0.880 -11.112 1.00 0.00 O ATOM 373 CB LYS A 26 4.327 -2.207 -13.189 1.00 0.00 C ATOM 374 CG LYS A 26 3.710 -3.069 -14.282 1.00 0.00 C ATOM 375 CD LYS A 26 4.708 -4.061 -14.855 1.00 0.00 C ATOM 376 CE LYS A 26 5.739 -3.387 -15.746 1.00 0.00 C ATOM 377 NZ LYS A 26 5.117 -2.761 -16.940 1.00 0.00 N ATOM 0 H LYS A 26 4.015 -4.904 -11.638 1.00 0.00 H new ATOM 0 HA LYS A 26 5.693 -3.618 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.583 -1.491 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.150 -1.631 -13.613 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.853 -3.609 -13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.336 -2.429 -15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.216 -4.575 -14.039 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.175 -4.820 -15.428 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.271 -2.627 -15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.478 -4.122 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.847 -2.586 -17.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.393 -3.398 -17.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.675 -1.860 -16.669 1.00 0.00 H new ATOM 391 N GLY A 27 5.497 -2.624 -9.691 1.00 0.00 N ATOM 392 CA GLY A 27 5.986 -1.842 -8.571 1.00 0.00 C ATOM 393 C GLY A 27 4.905 -0.989 -7.939 1.00 0.00 C ATOM 394 O GLY A 27 5.156 -0.260 -6.978 1.00 0.00 O ATOM 0 H GLY A 27 5.300 -3.601 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.401 -2.512 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.799 -1.200 -8.909 1.00 0.00 H new ATOM 398 N LYS A 28 3.704 -1.061 -8.489 1.00 0.00 N ATOM 399 CA LYS A 28 2.577 -0.309 -7.965 1.00 0.00 C ATOM 400 C LYS A 28 1.636 -1.216 -7.191 1.00 0.00 C ATOM 401 O LYS A 28 1.713 -2.441 -7.285 1.00 0.00 O ATOM 402 CB LYS A 28 1.802 0.362 -9.094 1.00 0.00 C ATOM 403 CG LYS A 28 2.626 1.318 -9.927 1.00 0.00 C ATOM 404 CD LYS A 28 1.760 2.009 -10.965 1.00 0.00 C ATOM 405 CE LYS A 28 2.529 3.071 -11.733 1.00 0.00 C ATOM 406 NZ LYS A 28 3.698 2.505 -12.459 1.00 0.00 N ATOM 0 H LYS A 28 3.484 -1.636 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 28 2.975 0.454 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.391 -0.409 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.957 0.904 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.092 2.062 -9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.432 0.776 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.370 1.268 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.902 2.467 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.862 3.556 -12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.871 3.841 -11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.121 3.240 -13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.404 2.170 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.387 1.709 -13.051 1.00 0.00 H new ATOM 420 N ILE A 29 0.737 -0.600 -6.452 1.00 0.00 N ATOM 421 CA ILE A 29 -0.227 -1.314 -5.643 1.00 0.00 C ATOM 422 C ILE A 29 -1.640 -0.886 -6.014 1.00 0.00 C ATOM 423 O ILE A 29 -1.969 0.300 -5.957 1.00 0.00 O ATOM 424 CB ILE A 29 0.019 -1.039 -4.145 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.416 -1.514 -3.749 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.035 -1.720 -3.288 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.862 -1.020 -2.395 1.00 0.00 C ATOM 0 H ILE A 29 0.655 0.415 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.112 -2.381 -5.831 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.051 0.035 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.434 -2.604 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.131 -1.180 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.839 -1.511 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.022 -1.342 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.001 -2.796 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.862 -1.397 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.877 0.070 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.170 -1.376 -1.632 1.00 0.00 H new ATOM 439 N HIS A 30 -2.462 -1.844 -6.427 1.00 0.00 N ATOM 440 CA HIS A 30 -3.860 -1.559 -6.727 1.00 0.00 C ATOM 441 C HIS A 30 -4.678 -1.711 -5.463 1.00 0.00 C ATOM 442 O HIS A 30 -4.593 -2.733 -4.772 1.00 0.00 O ATOM 443 CB HIS A 30 -4.415 -2.476 -7.821 1.00 0.00 C ATOM 444 CG HIS A 30 -3.669 -2.386 -9.122 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.790 -3.316 -10.132 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.791 -1.460 -9.573 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.015 -2.967 -11.144 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.398 -1.843 -10.830 1.00 0.00 N ATOM 0 H HIS A 30 -2.188 -2.817 -6.561 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.924 -0.537 -7.100 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.387 -3.507 -7.467 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.462 -2.227 -7.995 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.460 -0.580 -9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.905 -3.510 -12.071 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.738 -1.342 -11.424 1.00 0.00 H new ATOM 457 N LEU A 31 -5.465 -0.700 -5.167 1.00 0.00 N ATOM 458 CA LEU A 31 -6.171 -0.640 -3.905 1.00 0.00 C ATOM 459 C LEU A 31 -7.665 -0.479 -4.101 1.00 0.00 C ATOM 460 O LEU A 31 -8.130 0.300 -4.930 1.00 0.00 O ATOM 461 CB LEU A 31 -5.639 0.511 -3.055 1.00 0.00 C ATOM 462 CG LEU A 31 -4.171 0.398 -2.642 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.705 1.685 -1.981 1.00 0.00 C ATOM 464 CD2 LEU A 31 -3.983 -0.775 -1.697 1.00 0.00 C ATOM 0 H LEU A 31 -5.633 0.094 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.998 -1.586 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.773 1.441 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.248 0.586 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.570 0.230 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.658 1.588 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.813 2.513 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.309 1.878 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.934 -0.846 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.594 -0.627 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.286 -1.696 -2.195 1.00 0.00 H new ATOM 476 N HIS A 32 -8.392 -1.237 -3.314 1.00 0.00 N ATOM 477 CA HIS A 32 -9.837 -1.191 -3.270 1.00 0.00 C ATOM 478 C HIS A 32 -10.270 -0.330 -2.090 1.00 0.00 C ATOM 479 O HIS A 32 -10.245 -0.779 -0.950 1.00 0.00 O ATOM 480 CB HIS A 32 -10.372 -2.628 -3.139 1.00 0.00 C ATOM 481 CG HIS A 32 -11.838 -2.737 -2.849 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.335 -3.393 -1.743 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.911 -2.292 -3.538 1.00 0.00 C ATOM 484 CE1 HIS A 32 -13.654 -3.345 -1.767 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.032 -2.682 -2.846 1.00 0.00 N ATOM 0 H HIS A 32 -7.987 -1.918 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.241 -0.751 -4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.160 -3.164 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.822 -3.133 -2.345 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -11.773 -3.844 -1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.891 -1.733 -4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.314 -3.776 -1.028 1.00 0.00 H new ATOM 494 N LYS A 33 -10.620 0.920 -2.356 1.00 0.00 N ATOM 495 CA LYS A 33 -11.058 1.821 -1.307 1.00 0.00 C ATOM 496 C LYS A 33 -12.320 1.287 -0.651 1.00 0.00 C ATOM 497 O LYS A 33 -13.069 0.517 -1.256 1.00 0.00 O ATOM 498 CB LYS A 33 -11.325 3.214 -1.877 1.00 0.00 C ATOM 499 CG LYS A 33 -10.189 3.751 -2.727 1.00 0.00 C ATOM 500 CD LYS A 33 -10.340 5.240 -2.967 1.00 0.00 C ATOM 501 CE LYS A 33 -10.079 6.018 -1.693 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.207 7.483 -1.890 1.00 0.00 N ATOM 0 H LYS A 33 -10.608 1.331 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.267 1.890 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.234 3.183 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.510 3.905 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.237 3.554 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.167 3.226 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.645 5.560 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.345 5.455 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.780 5.695 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.077 5.789 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.239 7.956 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.390 7.833 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.082 7.688 -2.414 1.00 0.00 H new ATOM 516 N ALA A 34 -12.559 1.718 0.580 1.00 0.00 N ATOM 517 CA ALA A 34 -13.720 1.271 1.339 1.00 0.00 C ATOM 518 C ALA A 34 -15.004 1.800 0.716 1.00 0.00 C ATOM 519 O ALA A 34 -16.103 1.361 1.055 1.00 0.00 O ATOM 520 CB ALA A 34 -13.601 1.723 2.783 1.00 0.00 C ATOM 0 H ALA A 34 -11.962 2.379 1.076 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.756 0.182 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.473 1.385 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.699 1.298 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.545 2.811 2.820 1.00 0.00 H new ATOM 526 N ASN A 35 -14.846 2.746 -0.201 1.00 0.00 N ATOM 527 CA ASN A 35 -15.971 3.324 -0.928 1.00 0.00 C ATOM 528 C ASN A 35 -16.230 2.542 -2.221 1.00 0.00 C ATOM 529 O ASN A 35 -17.107 2.885 -3.010 1.00 0.00 O ATOM 530 CB ASN A 35 -15.684 4.802 -1.232 1.00 0.00 C ATOM 531 CG ASN A 35 -16.904 5.569 -1.717 1.00 0.00 C ATOM 532 OD1 ASN A 35 -17.698 6.064 -0.919 1.00 0.00 O ATOM 533 ND2 ASN A 35 -17.044 5.701 -3.025 1.00 0.00 N ATOM 0 H ASN A 35 -13.939 3.133 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.867 3.260 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.297 5.281 -0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.901 4.864 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.831 6.228 -3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.365 5.276 -3.656 1.00 0.00 H new ATOM 540 N GLY A 36 -15.449 1.489 -2.441 1.00 0.00 N ATOM 541 CA GLY A 36 -15.646 0.649 -3.610 1.00 0.00 C ATOM 542 C GLY A 36 -14.719 1.012 -4.755 1.00 0.00 C ATOM 543 O GLY A 36 -14.416 0.176 -5.604 1.00 0.00 O ATOM 0 H GLY A 36 -14.683 1.202 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.485 -0.393 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.680 0.735 -3.944 1.00 0.00 H new ATOM 547 N VAL A 37 -14.260 2.256 -4.765 1.00 0.00 N ATOM 548 CA VAL A 37 -13.395 2.757 -5.830 1.00 0.00 C ATOM 549 C VAL A 37 -12.051 2.031 -5.825 1.00 0.00 C ATOM 550 O VAL A 37 -11.535 1.677 -4.767 1.00 0.00 O ATOM 551 CB VAL A 37 -13.148 4.273 -5.673 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.442 4.846 -6.893 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.454 5.003 -5.419 1.00 0.00 C ATOM 0 H VAL A 37 -14.473 2.943 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.903 2.571 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.497 4.418 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.282 5.915 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.480 4.349 -7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.057 4.685 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.259 6.070 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.131 4.841 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.911 4.623 -4.505 1.00 0.00 H new ATOM 563 N LYS A 38 -11.485 1.812 -7.002 1.00 0.00 N ATOM 564 CA LYS A 38 -10.194 1.153 -7.104 1.00 0.00 C ATOM 565 C LYS A 38 -9.148 2.112 -7.653 1.00 0.00 C ATOM 566 O LYS A 38 -9.374 2.796 -8.652 1.00 0.00 O ATOM 567 CB LYS A 38 -10.289 -0.099 -7.974 1.00 0.00 C ATOM 568 CG LYS A 38 -8.979 -0.856 -8.088 1.00 0.00 C ATOM 569 CD LYS A 38 -9.149 -2.178 -8.820 1.00 0.00 C ATOM 570 CE LYS A 38 -9.709 -1.992 -10.220 1.00 0.00 C ATOM 571 NZ LYS A 38 -9.902 -3.295 -10.909 1.00 0.00 N ATOM 0 H LYS A 38 -11.898 2.080 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.888 0.846 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.048 -0.763 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.623 0.186 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.249 -0.241 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.579 -1.042 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.186 -2.684 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.814 -2.825 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.661 -1.464 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.032 -1.368 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.285 -3.131 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.989 -3.787 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.567 -3.880 -10.365 1.00 0.00 H new ATOM 585 N ILE A 39 -8.009 2.163 -6.984 1.00 0.00 N ATOM 586 CA ILE A 39 -6.937 3.085 -7.346 1.00 0.00 C ATOM 587 C ILE A 39 -5.605 2.353 -7.468 1.00 0.00 C ATOM 588 O ILE A 39 -5.481 1.204 -7.047 1.00 0.00 O ATOM 589 CB ILE A 39 -6.789 4.222 -6.309 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.557 3.643 -4.908 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.015 5.122 -6.322 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.332 4.696 -3.843 1.00 0.00 C ATOM 0 H ILE A 39 -7.798 1.572 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.207 3.517 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.922 4.824 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.417 3.035 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.693 2.979 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.891 5.916 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.133 5.561 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.900 4.535 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.175 4.211 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.454 5.289 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.205 5.346 -3.784 1.00 0.00 H new ATOM 604 N ALA A 40 -4.618 3.020 -8.049 1.00 0.00 N ATOM 605 CA ALA A 40 -3.280 2.460 -8.182 1.00 0.00 C ATOM 606 C ALA A 40 -2.229 3.471 -7.745 1.00 0.00 C ATOM 607 O ALA A 40 -2.117 4.554 -8.323 1.00 0.00 O ATOM 608 CB ALA A 40 -3.018 2.029 -9.618 1.00 0.00 C ATOM 0 H ALA A 40 -4.720 3.957 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.216 1.585 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.013 1.614 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.747 1.273 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.106 2.892 -10.279 1.00 0.00 H new ATOM 614 N VAL A 41 -1.469 3.118 -6.722 1.00 0.00 N ATOM 615 CA VAL A 41 -0.383 3.965 -6.246 1.00 0.00 C ATOM 616 C VAL A 41 0.943 3.247 -6.422 1.00 0.00 C ATOM 617 O VAL A 41 0.978 2.023 -6.508 1.00 0.00 O ATOM 618 CB VAL A 41 -0.547 4.342 -4.761 1.00 0.00 C ATOM 619 CG1 VAL A 41 -1.892 5.004 -4.513 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.358 3.125 -3.874 1.00 0.00 C ATOM 0 H VAL A 41 -1.583 2.248 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.408 4.881 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 41 0.227 5.065 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.982 5.260 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.968 5.910 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.692 4.317 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.478 3.414 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.101 2.370 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.641 2.716 -4.025 1.00 0.00 H new ATOM 630 N ALA A 42 2.026 3.998 -6.491 1.00 0.00 N ATOM 631 CA ALA A 42 3.345 3.394 -6.567 1.00 0.00 C ATOM 632 C ALA A 42 3.822 3.009 -5.173 1.00 0.00 C ATOM 633 O ALA A 42 3.819 3.831 -4.257 1.00 0.00 O ATOM 634 CB ALA A 42 4.331 4.340 -7.233 1.00 0.00 C ATOM 0 H ALA A 42 2.021 5.018 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 42 3.283 2.492 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.313 3.868 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.990 4.569 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.398 5.261 -6.655 1.00 0.00 H new ATOM 640 N ALA A 43 4.238 1.755 -5.024 1.00 0.00 N ATOM 641 CA ALA A 43 4.605 1.201 -3.717 1.00 0.00 C ATOM 642 C ALA A 43 5.828 1.888 -3.114 1.00 0.00 C ATOM 643 O ALA A 43 6.098 1.761 -1.923 1.00 0.00 O ATOM 644 CB ALA A 43 4.872 -0.291 -3.844 1.00 0.00 C ATOM 0 H ALA A 43 4.331 1.096 -5.797 1.00 0.00 H new ATOM 0 HA ALA A 43 3.765 1.378 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.144 -0.696 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.975 -0.792 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.689 -0.456 -4.546 1.00 0.00 H new ATOM 650 N ASP A 44 6.553 2.624 -3.933 1.00 0.00 N ATOM 651 CA ASP A 44 7.815 3.220 -3.502 1.00 0.00 C ATOM 652 C ASP A 44 7.623 4.619 -2.944 1.00 0.00 C ATOM 653 O ASP A 44 8.521 5.172 -2.309 1.00 0.00 O ATOM 654 CB ASP A 44 8.822 3.260 -4.646 1.00 0.00 C ATOM 655 CG ASP A 44 8.373 4.126 -5.805 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.495 3.686 -6.577 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.912 5.243 -5.962 1.00 0.00 O ATOM 0 H ASP A 44 6.296 2.827 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 44 8.203 2.586 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.775 3.633 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.996 2.245 -5.005 1.00 0.00 H new ATOM 662 N LYS A 45 6.461 5.200 -3.178 1.00 0.00 N ATOM 663 CA LYS A 45 6.162 6.507 -2.617 1.00 0.00 C ATOM 664 C LYS A 45 5.138 6.360 -1.506 1.00 0.00 C ATOM 665 O LYS A 45 4.466 7.311 -1.118 1.00 0.00 O ATOM 666 CB LYS A 45 5.698 7.491 -3.704 1.00 0.00 C ATOM 667 CG LYS A 45 4.590 6.982 -4.618 1.00 0.00 C ATOM 668 CD LYS A 45 3.207 7.102 -3.988 1.00 0.00 C ATOM 669 CE LYS A 45 2.856 8.550 -3.655 1.00 0.00 C ATOM 670 NZ LYS A 45 3.076 9.465 -4.808 1.00 0.00 N ATOM 0 H LYS A 45 5.716 4.795 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 45 7.072 6.928 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.355 8.405 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.558 7.759 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.609 7.543 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.782 5.939 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.461 6.695 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.169 6.501 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.813 8.606 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.459 8.882 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.654 10.393 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.097 9.578 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.631 9.065 -5.659 1.00 0.00 H new ATOM 684 N LEU A 46 5.047 5.143 -1.002 1.00 0.00 N ATOM 685 CA LEU A 46 4.091 4.791 0.027 1.00 0.00 C ATOM 686 C LEU A 46 4.787 4.685 1.382 1.00 0.00 C ATOM 687 O LEU A 46 6.018 4.708 1.458 1.00 0.00 O ATOM 688 CB LEU A 46 3.475 3.457 -0.359 1.00 0.00 C ATOM 689 CG LEU A 46 2.023 3.248 0.034 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.154 4.386 -0.483 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.563 1.924 -0.532 1.00 0.00 C ATOM 0 H LEU A 46 5.639 4.367 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 46 3.319 5.556 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.557 3.342 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.069 2.662 0.092 1.00 0.00 H new ATOM 0 HG LEU A 46 1.933 3.238 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.118 4.215 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.500 5.329 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.221 4.430 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.521 1.755 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.657 1.940 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.179 1.121 -0.126 1.00 0.00 H new ATOM 703 N SER A 47 4.009 4.587 2.448 1.00 0.00 N ATOM 704 CA SER A 47 4.567 4.410 3.773 1.00 0.00 C ATOM 705 C SER A 47 5.085 2.988 3.916 1.00 0.00 C ATOM 706 O SER A 47 4.483 2.029 3.427 1.00 0.00 O ATOM 707 CB SER A 47 3.523 4.718 4.851 1.00 0.00 C ATOM 708 OG SER A 47 4.094 4.680 6.150 1.00 0.00 O ATOM 0 H SER A 47 2.990 4.627 2.419 1.00 0.00 H new ATOM 0 HA SER A 47 5.394 5.107 3.906 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.091 5.702 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.709 3.996 4.788 1.00 0.00 H new ATOM 0 HG SER A 47 3.405 4.882 6.816 1.00 0.00 H new ATOM 714 N ASN A 48 6.206 2.857 4.593 1.00 0.00 N ATOM 715 CA ASN A 48 6.912 1.591 4.659 1.00 0.00 C ATOM 716 C ASN A 48 6.185 0.622 5.568 1.00 0.00 C ATOM 717 O ASN A 48 6.406 -0.588 5.506 1.00 0.00 O ATOM 718 CB ASN A 48 8.332 1.810 5.153 1.00 0.00 C ATOM 719 CG ASN A 48 9.070 2.881 4.366 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.975 3.529 4.881 1.00 0.00 O ATOM 721 ND2 ASN A 48 8.684 3.087 3.115 1.00 0.00 N ATOM 0 H ASN A 48 6.652 3.616 5.109 1.00 0.00 H new ATOM 0 HA ASN A 48 6.948 1.162 3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.306 2.092 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.884 0.872 5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.143 3.802 2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.928 2.531 2.716 1.00 0.00 H new ATOM 728 N GLU A 49 5.321 1.165 6.411 1.00 0.00 N ATOM 729 CA GLU A 49 4.441 0.369 7.227 1.00 0.00 C ATOM 730 C GLU A 49 3.435 -0.332 6.327 1.00 0.00 C ATOM 731 O GLU A 49 3.171 -1.533 6.465 1.00 0.00 O ATOM 732 CB GLU A 49 3.743 1.290 8.215 1.00 0.00 C ATOM 733 CG GLU A 49 4.176 1.088 9.655 1.00 0.00 C ATOM 734 CD GLU A 49 3.561 -0.139 10.287 1.00 0.00 C ATOM 735 OE1 GLU A 49 3.937 -1.265 9.912 1.00 0.00 O ATOM 736 OE2 GLU A 49 2.690 0.023 11.170 1.00 0.00 O ATOM 0 H GLU A 49 5.216 2.171 6.543 1.00 0.00 H new ATOM 0 HA GLU A 49 4.995 -0.390 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.934 2.325 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.667 1.134 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.262 1.005 9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.902 1.967 10.238 1.00 0.00 H new ATOM 743 N ASP A 50 2.917 0.426 5.366 1.00 0.00 N ATOM 744 CA ASP A 50 2.018 -0.089 4.384 1.00 0.00 C ATOM 745 C ASP A 50 2.716 -1.135 3.531 1.00 0.00 C ATOM 746 O ASP A 50 2.116 -2.151 3.183 1.00 0.00 O ATOM 747 CB ASP A 50 1.512 1.060 3.525 1.00 0.00 C ATOM 748 CG ASP A 50 0.506 1.932 4.249 1.00 0.00 C ATOM 749 OD1 ASP A 50 -0.544 1.408 4.670 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.770 3.141 4.413 1.00 0.00 O ATOM 0 H ASP A 50 3.121 1.420 5.261 1.00 0.00 H new ATOM 0 HA ASP A 50 1.171 -0.568 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.357 1.672 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.054 0.658 2.621 1.00 0.00 H new ATOM 755 N LEU A 51 3.998 -0.910 3.213 1.00 0.00 N ATOM 756 CA LEU A 51 4.748 -1.886 2.452 1.00 0.00 C ATOM 757 C LEU A 51 4.936 -3.151 3.267 1.00 0.00 C ATOM 758 O LEU A 51 4.693 -4.239 2.772 1.00 0.00 O ATOM 759 CB LEU A 51 6.110 -1.335 2.001 1.00 0.00 C ATOM 760 CG LEU A 51 6.081 -0.338 0.833 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.684 -0.232 0.232 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.582 1.027 1.280 1.00 0.00 C ATOM 0 H LEU A 51 4.519 -0.072 3.471 1.00 0.00 H new ATOM 0 HA LEU A 51 4.175 -2.118 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.584 -0.850 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.744 -2.176 1.719 1.00 0.00 H new ATOM 0 HG LEU A 51 6.749 -0.712 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.696 0.481 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.372 -1.209 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.984 0.108 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.554 1.719 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.946 1.404 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.606 0.938 1.642 1.00 0.00 H new ATOM 774 N ALA A 52 5.305 -2.999 4.536 1.00 0.00 N ATOM 775 CA ALA A 52 5.555 -4.145 5.402 1.00 0.00 C ATOM 776 C ALA A 52 4.306 -5.006 5.509 1.00 0.00 C ATOM 777 O ALA A 52 4.377 -6.230 5.635 1.00 0.00 O ATOM 778 CB ALA A 52 6.009 -3.681 6.778 1.00 0.00 C ATOM 0 H ALA A 52 5.437 -2.093 4.986 1.00 0.00 H new ATOM 0 HA ALA A 52 6.352 -4.747 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.191 -4.548 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.927 -3.102 6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.234 -3.060 7.227 1.00 0.00 H new ATOM 784 N TYR A 53 3.166 -4.344 5.441 1.00 0.00 N ATOM 785 CA TYR A 53 1.876 -5.007 5.479 1.00 0.00 C ATOM 786 C TYR A 53 1.593 -5.760 4.166 1.00 0.00 C ATOM 787 O TYR A 53 1.292 -6.968 4.166 1.00 0.00 O ATOM 788 CB TYR A 53 0.825 -3.929 5.744 1.00 0.00 C ATOM 789 CG TYR A 53 -0.601 -4.334 5.479 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.319 -5.107 6.382 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.232 -3.919 4.319 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.632 -5.456 6.126 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.538 -4.257 4.059 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.237 -5.028 4.964 1.00 0.00 C ATOM 795 OH TYR A 53 -4.546 -5.362 4.712 1.00 0.00 O ATOM 0 H TYR A 53 3.108 -3.329 5.358 1.00 0.00 H new ATOM 0 HA TYR A 53 1.856 -5.759 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.907 -3.614 6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.058 -3.060 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.846 -5.439 7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.688 -3.318 3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.181 -6.061 6.833 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.015 -3.921 3.150 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.821 -4.981 3.852 1.00 0.00 H new ATOM 805 N VAL A 54 1.755 -5.074 3.042 1.00 0.00 N ATOM 806 CA VAL A 54 1.478 -5.680 1.748 1.00 0.00 C ATOM 807 C VAL A 54 2.500 -6.773 1.431 1.00 0.00 C ATOM 808 O VAL A 54 2.187 -7.738 0.731 1.00 0.00 O ATOM 809 CB VAL A 54 1.407 -4.623 0.621 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.615 -3.730 0.622 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.216 -5.272 -0.744 1.00 0.00 C ATOM 0 H VAL A 54 2.074 -4.106 3.000 1.00 0.00 H new ATOM 0 HA VAL A 54 0.494 -6.146 1.805 1.00 0.00 H new ATOM 0 HB VAL A 54 0.534 -4.002 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.529 -3.001 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.682 -3.209 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.512 -4.331 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.171 -4.499 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.053 -5.939 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.287 -5.843 -0.749 1.00 0.00 H new ATOM 821 N GLU A 55 3.713 -6.629 1.961 1.00 0.00 N ATOM 822 CA GLU A 55 4.695 -7.707 1.930 1.00 0.00 C ATOM 823 C GLU A 55 4.097 -8.988 2.493 1.00 0.00 C ATOM 824 O GLU A 55 4.311 -10.066 1.954 1.00 0.00 O ATOM 825 CB GLU A 55 5.933 -7.348 2.749 1.00 0.00 C ATOM 826 CG GLU A 55 6.677 -6.139 2.238 1.00 0.00 C ATOM 827 CD GLU A 55 7.963 -5.893 2.994 1.00 0.00 C ATOM 828 OE1 GLU A 55 7.924 -5.206 4.032 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.019 -6.387 2.560 1.00 0.00 O ATOM 0 H GLU A 55 4.038 -5.776 2.417 1.00 0.00 H new ATOM 0 HA GLU A 55 4.982 -7.856 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.633 -7.168 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.610 -8.202 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.901 -6.274 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.037 -5.260 2.319 1.00 0.00 H new ATOM 836 N LYS A 56 3.336 -8.864 3.577 1.00 0.00 N ATOM 837 CA LYS A 56 2.746 -10.024 4.220 1.00 0.00 C ATOM 838 C LYS A 56 1.591 -10.566 3.399 1.00 0.00 C ATOM 839 O LYS A 56 1.353 -11.772 3.376 1.00 0.00 O ATOM 840 CB LYS A 56 2.286 -9.681 5.635 1.00 0.00 C ATOM 841 CG LYS A 56 3.298 -10.026 6.723 1.00 0.00 C ATOM 842 CD LYS A 56 4.576 -9.193 6.650 1.00 0.00 C ATOM 843 CE LYS A 56 5.560 -9.724 5.610 1.00 0.00 C ATOM 844 NZ LYS A 56 6.870 -9.018 5.665 1.00 0.00 N ATOM 0 H LYS A 56 3.117 -7.974 4.024 1.00 0.00 H new ATOM 0 HA LYS A 56 3.509 -10.799 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.065 -8.615 5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.355 -10.209 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.834 -9.881 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.557 -11.082 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.320 -8.161 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.056 -9.183 7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.717 -10.791 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.130 -9.612 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.507 -9.411 4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.726 -8.004 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.294 -9.146 6.606 1.00 0.00 H new ATOM 858 N ILE A 57 0.875 -9.679 2.722 1.00 0.00 N ATOM 859 CA ILE A 57 -0.198 -10.114 1.826 1.00 0.00 C ATOM 860 C ILE A 57 0.360 -10.863 0.614 1.00 0.00 C ATOM 861 O ILE A 57 -0.225 -11.844 0.152 1.00 0.00 O ATOM 862 CB ILE A 57 -1.039 -8.929 1.308 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.469 -8.033 2.466 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.260 -9.433 0.539 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.285 -6.838 2.027 1.00 0.00 C ATOM 0 H ILE A 57 1.011 -8.669 2.771 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.832 -10.775 2.418 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.423 -8.341 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.052 -8.622 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.582 -7.684 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.841 -8.583 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.933 -10.032 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.878 -10.044 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.558 -6.243 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.697 -6.228 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.189 -7.180 1.524 1.00 0.00 H new ATOM 877 N THR A 58 1.500 -10.411 0.113 1.00 0.00 N ATOM 878 CA THR A 58 2.020 -10.909 -1.160 1.00 0.00 C ATOM 879 C THR A 58 3.075 -11.997 -0.987 1.00 0.00 C ATOM 880 O THR A 58 3.051 -13.017 -1.676 1.00 0.00 O ATOM 881 CB THR A 58 2.628 -9.764 -1.990 1.00 0.00 C ATOM 882 OG1 THR A 58 3.569 -9.031 -1.196 1.00 0.00 O ATOM 883 CG2 THR A 58 1.547 -8.827 -2.499 1.00 0.00 C ATOM 0 H THR A 58 2.083 -9.704 0.562 1.00 0.00 H new ATOM 0 HA THR A 58 1.166 -11.343 -1.680 1.00 0.00 H new ATOM 0 HB THR A 58 3.138 -10.200 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.087 -8.451 -0.570 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.004 -8.027 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.851 -9.382 -3.127 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.010 -8.398 -1.653 1.00 0.00 H new ATOM 891 N GLY A 59 4.003 -11.770 -0.074 1.00 0.00 N ATOM 892 CA GLY A 59 5.139 -12.654 0.069 1.00 0.00 C ATOM 893 C GLY A 59 6.403 -12.006 -0.459 1.00 0.00 C ATOM 894 O GLY A 59 7.503 -12.534 -0.290 1.00 0.00 O ATOM 0 H GLY A 59 3.990 -10.984 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.271 -12.915 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.951 -13.583 -0.469 1.00 0.00 H new ATOM 898 N PHE A 60 6.239 -10.843 -1.083 1.00 0.00 N ATOM 899 CA PHE A 60 7.361 -10.105 -1.651 1.00 0.00 C ATOM 900 C PHE A 60 8.097 -9.326 -0.571 1.00 0.00 C ATOM 901 O PHE A 60 7.685 -9.303 0.588 1.00 0.00 O ATOM 902 CB PHE A 60 6.878 -9.131 -2.730 1.00 0.00 C ATOM 903 CG PHE A 60 6.370 -9.792 -3.976 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.235 -10.477 -4.812 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.030 -9.714 -4.319 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.772 -11.075 -5.966 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.562 -10.313 -5.471 1.00 0.00 C ATOM 908 CZ PHE A 60 5.435 -10.994 -6.296 1.00 0.00 C ATOM 0 H PHE A 60 5.334 -10.390 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 60 8.041 -10.831 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.085 -8.510 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.699 -8.465 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.283 -10.544 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.345 -9.179 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.456 -11.606 -6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.515 -10.249 -5.727 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.072 -11.463 -7.199 1.00 0.00 H new ATOM 918 N SER A 61 9.184 -8.688 -0.965 1.00 0.00 N ATOM 919 CA SER A 61 9.950 -7.844 -0.069 1.00 0.00 C ATOM 920 C SER A 61 10.007 -6.425 -0.632 1.00 0.00 C ATOM 921 O SER A 61 10.581 -6.192 -1.700 1.00 0.00 O ATOM 922 CB SER A 61 11.359 -8.418 0.106 1.00 0.00 C ATOM 923 OG SER A 61 12.115 -7.674 1.048 1.00 0.00 O ATOM 0 H SER A 61 9.559 -8.741 -1.912 1.00 0.00 H new ATOM 0 HA SER A 61 9.469 -7.813 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.291 -9.456 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.874 -8.419 -0.855 1.00 0.00 H new ATOM 0 HG SER A 61 13.008 -8.069 1.136 1.00 0.00 H new ATOM 929 N LEU A 62 9.399 -5.482 0.078 1.00 0.00 N ATOM 930 CA LEU A 62 9.329 -4.104 -0.388 1.00 0.00 C ATOM 931 C LEU A 62 10.322 -3.236 0.363 1.00 0.00 C ATOM 932 O LEU A 62 10.125 -2.033 0.510 1.00 0.00 O ATOM 933 CB LEU A 62 7.908 -3.533 -0.256 1.00 0.00 C ATOM 934 CG LEU A 62 6.813 -4.394 -0.895 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.479 -3.681 -0.839 1.00 0.00 C ATOM 936 CD2 LEU A 62 7.159 -4.735 -2.335 1.00 0.00 C ATOM 0 H LEU A 62 8.948 -5.647 0.978 1.00 0.00 H new ATOM 0 HA LEU A 62 9.590 -4.101 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.679 -3.404 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.885 -2.543 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 62 6.743 -5.322 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.713 -4.306 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.214 -3.485 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.548 -2.737 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.366 -5.346 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.262 -3.816 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.098 -5.288 -2.362 1.00 0.00 H new ATOM 948 N GLU A 63 11.395 -3.860 0.830 1.00 0.00 N ATOM 949 CA GLU A 63 12.479 -3.172 1.477 1.00 0.00 C ATOM 950 C GLU A 63 13.051 -2.090 0.565 1.00 0.00 C ATOM 951 O GLU A 63 13.322 -0.973 0.999 1.00 0.00 O ATOM 952 CB GLU A 63 13.551 -4.195 1.813 1.00 0.00 C ATOM 953 CG GLU A 63 13.112 -5.264 2.799 1.00 0.00 C ATOM 954 CD GLU A 63 12.954 -4.743 4.210 1.00 0.00 C ATOM 955 OE1 GLU A 63 13.978 -4.603 4.913 1.00 0.00 O ATOM 956 OE2 GLU A 63 11.810 -4.501 4.637 1.00 0.00 O ATOM 0 H GLU A 63 11.529 -4.869 0.764 1.00 0.00 H new ATOM 0 HA GLU A 63 12.121 -2.686 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.875 -4.679 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.417 -3.675 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.165 -5.689 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.842 -6.073 2.797 1.00 0.00 H new ATOM 963 N LYS A 64 13.197 -2.427 -0.714 1.00 0.00 N ATOM 964 CA LYS A 64 13.729 -1.499 -1.710 1.00 0.00 C ATOM 965 C LYS A 64 12.715 -0.403 -2.048 1.00 0.00 C ATOM 966 O LYS A 64 13.020 0.533 -2.785 1.00 0.00 O ATOM 967 CB LYS A 64 14.119 -2.262 -2.978 1.00 0.00 C ATOM 968 CG LYS A 64 12.987 -3.100 -3.542 1.00 0.00 C ATOM 969 CD LYS A 64 13.412 -3.866 -4.782 1.00 0.00 C ATOM 970 CE LYS A 64 12.280 -4.732 -5.308 1.00 0.00 C ATOM 971 NZ LYS A 64 11.865 -5.769 -4.325 1.00 0.00 N ATOM 0 H LYS A 64 12.952 -3.344 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 64 14.613 -1.021 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.449 -1.551 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.968 -2.910 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.642 -3.802 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.144 -2.454 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.727 -3.165 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.274 -4.491 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.425 -4.101 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.594 -5.215 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.269 -6.478 -4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.709 -6.233 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.326 -5.322 -3.556 1.00 0.00 H new ATOM 985 N PHE A 65 11.509 -0.532 -1.514 1.00 0.00 N ATOM 986 CA PHE A 65 10.482 0.485 -1.689 1.00 0.00 C ATOM 987 C PHE A 65 10.362 1.311 -0.416 1.00 0.00 C ATOM 988 O PHE A 65 9.550 2.229 -0.322 1.00 0.00 O ATOM 989 CB PHE A 65 9.130 -0.154 -2.032 1.00 0.00 C ATOM 990 CG PHE A 65 9.105 -0.847 -3.365 1.00 0.00 C ATOM 991 CD1 PHE A 65 8.811 -0.144 -4.520 1.00 0.00 C ATOM 992 CD2 PHE A 65 9.374 -2.201 -3.461 1.00 0.00 C ATOM 993 CE1 PHE A 65 8.783 -0.777 -5.747 1.00 0.00 C ATOM 994 CE2 PHE A 65 9.348 -2.841 -4.685 1.00 0.00 C ATOM 995 CZ PHE A 65 9.053 -2.128 -5.830 1.00 0.00 C ATOM 0 H PHE A 65 11.217 -1.333 -0.954 1.00 0.00 H new ATOM 0 HA PHE A 65 10.770 1.132 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.871 -0.873 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.361 0.618 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.601 0.914 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.607 -2.764 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.550 -0.216 -6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.558 -3.899 -4.746 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.034 -2.626 -6.788 1.00 0.00 H new ATOM 1005 N LYS A 66 11.182 0.970 0.567 1.00 0.00 N ATOM 1006 CA LYS A 66 11.191 1.676 1.834 1.00 0.00 C ATOM 1007 C LYS A 66 12.293 2.725 1.831 1.00 0.00 C ATOM 1008 O LYS A 66 13.332 2.541 1.196 1.00 0.00 O ATOM 1009 CB LYS A 66 11.365 0.684 2.987 1.00 0.00 C ATOM 1010 CG LYS A 66 10.212 -0.304 3.079 1.00 0.00 C ATOM 1011 CD LYS A 66 10.423 -1.345 4.162 1.00 0.00 C ATOM 1012 CE LYS A 66 9.267 -2.334 4.180 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.484 -3.446 5.139 1.00 0.00 N ATOM 0 H LYS A 66 11.853 0.204 0.508 1.00 0.00 H new ATOM 0 HA LYS A 66 10.238 2.186 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.299 0.138 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.446 1.232 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.288 0.239 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.089 -0.804 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.360 -1.874 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.507 -0.857 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.348 -1.809 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.128 -2.744 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.136 -4.334 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.500 -3.534 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.968 -3.250 6.020 1.00 0.00 H new