USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 4 MET CE :methyl -148:sc= -0.424 (180deg=-0.963) USER MOD Set 1.2: A 63 CYS SG : rot -54:sc= -1.51 USER MOD Set 1.3: A 70 MET CE :methyl 172:sc= -1.51 (180deg=-0.885) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -98:sc= 0.0749 USER MOD Single : A 18 LYS NZ :NH3+ 135:sc= 0 (180deg=-0.463) USER MOD Single : A 20 SER OG : rot -50:sc= -0.936 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 41:sc= -0.271 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 65:sc=-0.00946 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0886 X(o=-0.089,f=-0.51) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= -0.217 (180deg=-0.217) USER MOD Single : A 48 THR OG1 : rot 160:sc= 0.00157 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -103:sc= 1.05 USER MOD Single : A 64 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 66 ASN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.450 -0.950 -3.213 1.00 0.00 N ATOM 24 CA ASP A 3 8.121 -0.891 -4.506 1.00 0.00 C ATOM 25 C ASP A 3 8.986 -2.128 -4.726 1.00 0.00 C ATOM 26 O ASP A 3 9.112 -2.618 -5.848 1.00 0.00 O ATOM 27 CB ASP A 3 8.979 0.371 -4.602 1.00 0.00 C ATOM 28 CG ASP A 3 8.152 1.617 -4.849 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.992 1.481 -5.291 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.664 2.729 -4.601 1.00 0.00 O ATOM 0 HA ASP A 3 7.357 -0.861 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.546 0.492 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.703 0.254 -5.408 1.00 0.00 H new ATOM 35 N MET A 4 9.581 -2.627 -3.648 1.00 0.00 N ATOM 36 CA MET A 4 10.435 -3.807 -3.724 1.00 0.00 C ATOM 37 C MET A 4 9.949 -4.892 -2.768 1.00 0.00 C ATOM 38 O MET A 4 10.097 -6.083 -3.040 1.00 0.00 O ATOM 39 CB MET A 4 11.883 -3.437 -3.399 1.00 0.00 C ATOM 40 CG MET A 4 12.062 -2.838 -2.013 1.00 0.00 C ATOM 41 SD MET A 4 11.828 -1.051 -1.993 1.00 0.00 S ATOM 42 CE MET A 4 13.214 -0.517 -2.994 1.00 0.00 C ATOM 0 H MET A 4 9.488 -2.233 -2.712 1.00 0.00 H new ATOM 0 HA MET A 4 10.386 -4.195 -4.742 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.505 -4.328 -3.483 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.243 -2.726 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.353 -3.301 -1.327 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.061 -3.074 -1.646 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.560 0.457 -2.647 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.024 -1.241 -2.909 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.903 -0.441 -4.036 1.00 0.00 H new ATOM 52 N GLU A 5 9.368 -4.471 -1.648 1.00 0.00 N ATOM 53 CA GLU A 5 8.862 -5.409 -0.653 1.00 0.00 C ATOM 54 C GLU A 5 7.812 -6.334 -1.261 1.00 0.00 C ATOM 55 O GLU A 5 7.705 -7.501 -0.884 1.00 0.00 O ATOM 56 CB GLU A 5 8.264 -4.652 0.535 1.00 0.00 C ATOM 57 CG GLU A 5 9.306 -4.119 1.504 1.00 0.00 C ATOM 58 CD GLU A 5 8.737 -3.852 2.884 1.00 0.00 C ATOM 59 OE1 GLU A 5 7.747 -3.097 2.981 1.00 0.00 O ATOM 60 OE2 GLU A 5 9.281 -4.397 3.867 1.00 0.00 O ATOM 0 H GLU A 5 9.237 -3.488 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 5 9.698 -6.016 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.668 -3.819 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.585 -5.314 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.123 -4.837 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.730 -3.197 1.105 1.00 0.00 H new ATOM 67 N ARG A 6 7.039 -5.804 -2.203 1.00 0.00 N ATOM 68 CA ARG A 6 5.997 -6.581 -2.863 1.00 0.00 C ATOM 69 C ARG A 6 6.604 -7.657 -3.758 1.00 0.00 C ATOM 70 O ARG A 6 5.950 -8.647 -4.087 1.00 0.00 O ATOM 71 CB ARG A 6 5.094 -5.664 -3.690 1.00 0.00 C ATOM 72 CG ARG A 6 3.801 -6.325 -4.138 1.00 0.00 C ATOM 73 CD ARG A 6 2.779 -6.372 -3.013 1.00 0.00 C ATOM 74 NE ARG A 6 2.989 -7.517 -2.131 1.00 0.00 N ATOM 75 CZ ARG A 6 2.268 -7.745 -1.039 1.00 0.00 C ATOM 76 NH1 ARG A 6 1.295 -6.912 -0.697 1.00 0.00 N ATOM 77 NH2 ARG A 6 2.519 -8.810 -0.287 1.00 0.00 N ATOM 0 H ARG A 6 7.115 -4.840 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 6 5.400 -7.069 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.854 -4.778 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.642 -5.325 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.386 -5.778 -4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.010 -7.337 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.837 -5.451 -2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.776 -6.420 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 6 3.730 -8.178 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.098 -6.093 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.743 -7.090 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.266 -9.454 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.965 -8.984 0.551 1.00 0.00 H new ATOM 91 N ILE A 7 7.858 -7.455 -4.149 1.00 0.00 N ATOM 92 CA ILE A 7 8.553 -8.407 -5.006 1.00 0.00 C ATOM 93 C ILE A 7 9.337 -9.420 -4.178 1.00 0.00 C ATOM 94 O ILE A 7 9.206 -10.629 -4.371 1.00 0.00 O ATOM 95 CB ILE A 7 9.517 -7.696 -5.973 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.947 -6.338 -6.389 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.778 -8.563 -7.195 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.802 -5.607 -7.400 1.00 0.00 C ATOM 0 H ILE A 7 8.413 -6.641 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 7 7.789 -8.926 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 7 10.465 -7.530 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.951 -6.484 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.833 -5.714 -5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.461 -8.046 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.222 -9.508 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.838 -8.757 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.337 -4.653 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.792 -5.429 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.895 -6.211 -8.303 1.00 0.00 H new ATOM 110 N PHE A 8 10.151 -8.919 -3.256 1.00 0.00 N ATOM 111 CA PHE A 8 10.957 -9.780 -2.397 1.00 0.00 C ATOM 112 C PHE A 8 10.084 -10.815 -1.693 1.00 0.00 C ATOM 113 O PHE A 8 10.312 -12.019 -1.810 1.00 0.00 O ATOM 114 CB PHE A 8 11.711 -8.942 -1.362 1.00 0.00 C ATOM 115 CG PHE A 8 12.204 -9.740 -0.190 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.248 -10.639 -0.337 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.624 -9.592 1.060 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.705 -11.376 0.740 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.077 -10.325 2.140 1.00 0.00 C ATOM 120 CZ PHE A 8 13.118 -11.219 1.980 1.00 0.00 C ATOM 0 H PHE A 8 10.271 -7.921 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 8 11.678 -10.305 -3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.560 -8.459 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.056 -8.149 -1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.711 -10.766 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.809 -8.896 1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.520 -12.073 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.617 -10.199 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.472 -11.794 2.823 1.00 0.00 H new ATOM 130 N LYS A 9 9.084 -10.336 -0.961 1.00 0.00 N ATOM 131 CA LYS A 9 8.176 -11.218 -0.237 1.00 0.00 C ATOM 132 C LYS A 9 7.523 -12.222 -1.182 1.00 0.00 C ATOM 133 O LYS A 9 7.239 -13.356 -0.798 1.00 0.00 O ATOM 134 CB LYS A 9 7.098 -10.398 0.477 1.00 0.00 C ATOM 135 CG LYS A 9 7.489 -9.971 1.881 1.00 0.00 C ATOM 136 CD LYS A 9 6.866 -10.875 2.932 1.00 0.00 C ATOM 137 CE LYS A 9 5.745 -10.169 3.680 1.00 0.00 C ATOM 138 NZ LYS A 9 4.413 -10.454 3.079 1.00 0.00 N ATOM 0 H LYS A 9 8.882 -9.342 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 9 8.757 -11.768 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.877 -9.510 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.181 -10.985 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.574 -9.991 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.172 -8.942 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.477 -11.775 2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.632 -11.195 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.748 -10.486 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.924 -9.094 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.676 -9.955 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.401 -10.129 2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.231 -11.477 3.109 1.00 0.00 H new ATOM 152 N ARG A 10 7.290 -11.797 -2.420 1.00 0.00 N ATOM 153 CA ARG A 10 6.671 -12.659 -3.419 1.00 0.00 C ATOM 154 C ARG A 10 7.598 -13.813 -3.791 1.00 0.00 C ATOM 155 O ARG A 10 7.168 -14.962 -3.889 1.00 0.00 O ATOM 156 CB ARG A 10 6.317 -11.853 -4.670 1.00 0.00 C ATOM 157 CG ARG A 10 4.822 -11.749 -4.924 1.00 0.00 C ATOM 158 CD ARG A 10 4.085 -11.218 -3.705 1.00 0.00 C ATOM 159 NE ARG A 10 2.710 -10.839 -4.018 1.00 0.00 N ATOM 160 CZ ARG A 10 1.724 -11.715 -4.179 1.00 0.00 C ATOM 161 NH1 ARG A 10 1.961 -13.013 -4.057 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.499 -11.292 -4.463 1.00 0.00 N ATOM 0 H ARG A 10 7.521 -10.861 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 10 5.758 -13.072 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.732 -10.849 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.793 -12.314 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.641 -11.092 -5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.428 -12.730 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.082 -11.978 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.617 -10.354 -3.308 1.00 0.00 H new ATOM 0 HE ARG A 10 2.495 -9.847 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.902 -13.341 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.203 -13.684 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.313 -10.294 -4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.257 -11.965 -4.586 1.00 0.00 H new ATOM 176 N PHE A 11 8.873 -13.498 -3.997 1.00 0.00 N ATOM 177 CA PHE A 11 9.861 -14.508 -4.359 1.00 0.00 C ATOM 178 C PHE A 11 10.316 -15.289 -3.130 1.00 0.00 C ATOM 179 O PHE A 11 10.825 -16.404 -3.243 1.00 0.00 O ATOM 180 CB PHE A 11 11.066 -13.852 -5.036 1.00 0.00 C ATOM 181 CG PHE A 11 10.796 -13.413 -6.447 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.421 -14.332 -7.413 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.916 -12.080 -6.806 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.172 -13.930 -8.712 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.668 -11.672 -8.103 1.00 0.00 C ATOM 186 CZ PHE A 11 10.295 -12.598 -9.057 1.00 0.00 C ATOM 0 H PHE A 11 9.246 -12.552 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 11 9.395 -15.204 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.377 -12.988 -4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.900 -14.554 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.322 -15.374 -7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.207 -11.351 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.882 -14.657 -9.456 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.766 -10.630 -8.370 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.100 -12.282 -10.071 1.00 0.00 H new ATOM 196 N ASP A 12 10.130 -14.694 -1.957 1.00 0.00 N ATOM 197 CA ASP A 12 10.521 -15.333 -0.705 1.00 0.00 C ATOM 198 C ASP A 12 9.437 -16.293 -0.224 1.00 0.00 C ATOM 199 O ASP A 12 8.926 -16.162 0.889 1.00 0.00 O ATOM 200 CB ASP A 12 10.797 -14.277 0.367 1.00 0.00 C ATOM 201 CG ASP A 12 11.391 -14.874 1.627 1.00 0.00 C ATOM 202 OD1 ASP A 12 11.894 -16.015 1.564 1.00 0.00 O ATOM 203 OD2 ASP A 12 11.352 -14.200 2.678 1.00 0.00 O ATOM 0 H ASP A 12 9.711 -13.771 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 12 11.432 -15.903 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.479 -13.527 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.868 -13.763 0.615 1.00 0.00 H new ATOM 208 N THR A 13 9.090 -17.258 -1.070 1.00 0.00 N ATOM 209 CA THR A 13 8.066 -18.238 -0.732 1.00 0.00 C ATOM 210 C THR A 13 8.660 -19.638 -0.622 1.00 0.00 C ATOM 211 O THR A 13 7.933 -20.630 -0.587 1.00 0.00 O ATOM 212 CB THR A 13 6.936 -18.253 -1.779 1.00 0.00 C ATOM 213 OG1 THR A 13 7.481 -18.079 -3.091 1.00 0.00 O ATOM 214 CG2 THR A 13 5.922 -17.155 -1.496 1.00 0.00 C ATOM 0 H THR A 13 9.503 -17.381 -1.994 1.00 0.00 H new ATOM 0 HA THR A 13 7.653 -17.944 0.233 1.00 0.00 H new ATOM 0 HB THR A 13 6.430 -19.217 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.397 -17.140 -3.358 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.134 -17.185 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.487 -17.307 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.418 -16.185 -1.529 1.00 0.00 H new ATOM 255 N GLY A 17 14.830 -18.025 3.086 1.00 0.00 N ATOM 256 CA GLY A 17 15.144 -16.621 3.277 1.00 0.00 C ATOM 257 C GLY A 17 15.448 -15.913 1.971 1.00 0.00 C ATOM 258 O GLY A 17 14.765 -14.958 1.600 1.00 0.00 O ATOM 0 HA2 GLY A 17 14.305 -16.128 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.001 -16.531 3.944 1.00 0.00 H new ATOM 262 N LYS A 18 16.478 -16.379 1.273 1.00 0.00 N ATOM 263 CA LYS A 18 16.873 -15.785 0.002 1.00 0.00 C ATOM 264 C LYS A 18 15.835 -16.073 -1.079 1.00 0.00 C ATOM 265 O LYS A 18 14.861 -16.787 -0.842 1.00 0.00 O ATOM 266 CB LYS A 18 18.239 -16.321 -0.433 1.00 0.00 C ATOM 267 CG LYS A 18 19.263 -16.355 0.689 1.00 0.00 C ATOM 268 CD LYS A 18 20.626 -16.801 0.186 1.00 0.00 C ATOM 269 CE LYS A 18 20.849 -18.287 0.424 1.00 0.00 C ATOM 270 NZ LYS A 18 20.168 -19.122 -0.604 1.00 0.00 N ATOM 0 H LYS A 18 17.055 -17.167 1.567 1.00 0.00 H new ATOM 0 HA LYS A 18 16.940 -14.706 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.115 -17.328 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.622 -15.702 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.346 -15.365 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.924 -17.033 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.710 -16.585 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.406 -16.230 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.918 -18.500 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.479 -18.556 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 20.815 -19.868 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 19.318 -19.557 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.894 -18.525 -1.410 1.00 0.00 H new ATOM 284 N ILE A 19 16.053 -15.514 -2.265 1.00 0.00 N ATOM 285 CA ILE A 19 15.137 -15.713 -3.382 1.00 0.00 C ATOM 286 C ILE A 19 15.880 -16.207 -4.619 1.00 0.00 C ATOM 287 O ILE A 19 17.035 -15.848 -4.847 1.00 0.00 O ATOM 288 CB ILE A 19 14.385 -14.415 -3.732 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.373 -13.262 -3.918 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.371 -14.082 -2.648 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.708 -11.944 -4.249 1.00 0.00 C ATOM 0 H ILE A 19 16.855 -14.920 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 19 14.415 -16.467 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 19 13.849 -14.564 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.959 -13.145 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.071 -13.518 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.848 -13.162 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.652 -14.896 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.886 -13.948 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.469 -11.172 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.145 -12.043 -5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.031 -11.665 -3.442 1.00 0.00 H new ATOM 303 N SER A 20 15.207 -17.032 -5.416 1.00 0.00 N ATOM 304 CA SER A 20 15.803 -17.577 -6.630 1.00 0.00 C ATOM 305 C SER A 20 16.238 -16.458 -7.571 1.00 0.00 C ATOM 306 O SER A 20 15.406 -15.735 -8.122 1.00 0.00 O ATOM 307 CB SER A 20 14.811 -18.500 -7.340 1.00 0.00 C ATOM 308 OG SER A 20 15.487 -19.488 -8.099 1.00 0.00 O ATOM 0 H SER A 20 14.249 -17.337 -5.243 1.00 0.00 H new ATOM 0 HA SER A 20 16.684 -18.152 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.166 -18.980 -6.604 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.167 -17.912 -7.994 1.00 0.00 H new ATOM 0 HG SER A 20 16.164 -19.060 -8.664 1.00 0.00 H new ATOM 314 N LEU A 21 17.547 -16.321 -7.752 1.00 0.00 N ATOM 315 CA LEU A 21 18.095 -15.290 -8.627 1.00 0.00 C ATOM 316 C LEU A 21 17.788 -15.597 -10.089 1.00 0.00 C ATOM 317 O LEU A 21 17.016 -14.887 -10.734 1.00 0.00 O ATOM 318 CB LEU A 21 19.607 -15.173 -8.425 1.00 0.00 C ATOM 319 CG LEU A 21 20.271 -13.938 -9.035 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.754 -14.187 -9.262 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.588 -13.554 -10.339 1.00 0.00 C ATOM 0 H LEU A 21 18.249 -16.911 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 21 17.625 -14.341 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.812 -15.180 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 21 20.080 -16.060 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 21 20.165 -13.109 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.210 -13.297 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.235 -14.413 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.882 -15.029 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.074 -12.673 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.662 -14.381 -11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.538 -13.333 -10.148 1.00 0.00 H new ATOM 333 N SER A 22 18.395 -16.661 -10.605 1.00 0.00 N ATOM 334 CA SER A 22 18.188 -17.061 -11.991 1.00 0.00 C ATOM 335 C SER A 22 16.701 -17.084 -12.334 1.00 0.00 C ATOM 336 O SER A 22 16.322 -17.005 -13.502 1.00 0.00 O ATOM 337 CB SER A 22 18.801 -18.440 -12.243 1.00 0.00 C ATOM 338 OG SER A 22 18.197 -19.425 -11.423 1.00 0.00 O ATOM 0 H SER A 22 19.034 -17.261 -10.084 1.00 0.00 H new ATOM 0 HA SER A 22 18.680 -16.329 -12.631 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.677 -18.710 -13.292 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.873 -18.406 -12.047 1.00 0.00 H new ATOM 0 HG SER A 22 18.605 -20.297 -11.605 1.00 0.00 H new ATOM 344 N GLU A 23 15.865 -17.192 -11.306 1.00 0.00 N ATOM 345 CA GLU A 23 14.420 -17.225 -11.498 1.00 0.00 C ATOM 346 C GLU A 23 13.825 -15.823 -11.402 1.00 0.00 C ATOM 347 O GLU A 23 12.809 -15.522 -12.030 1.00 0.00 O ATOM 348 CB GLU A 23 13.766 -18.141 -10.461 1.00 0.00 C ATOM 349 CG GLU A 23 12.726 -19.080 -11.048 1.00 0.00 C ATOM 350 CD GLU A 23 12.552 -20.343 -10.228 1.00 0.00 C ATOM 351 OE1 GLU A 23 13.560 -21.045 -9.999 1.00 0.00 O ATOM 352 OE2 GLU A 23 11.409 -20.631 -9.816 1.00 0.00 O ATOM 0 H GLU A 23 16.163 -17.258 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 23 14.221 -17.617 -12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.540 -18.731 -9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.297 -17.528 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.770 -18.561 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.016 -19.348 -12.064 1.00 0.00 H new ATOM 359 N LEU A 24 14.465 -14.969 -10.610 1.00 0.00 N ATOM 360 CA LEU A 24 14.001 -13.598 -10.430 1.00 0.00 C ATOM 361 C LEU A 24 14.228 -12.775 -11.694 1.00 0.00 C ATOM 362 O LEU A 24 13.300 -12.164 -12.226 1.00 0.00 O ATOM 363 CB LEU A 24 14.719 -12.947 -9.247 1.00 0.00 C ATOM 364 CG LEU A 24 14.229 -11.555 -8.848 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.475 -11.307 -7.368 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.911 -10.487 -9.690 1.00 0.00 C ATOM 0 H LEU A 24 15.306 -15.202 -10.083 1.00 0.00 H new ATOM 0 HA LEU A 24 12.931 -13.627 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.624 -13.605 -8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.781 -12.882 -9.483 1.00 0.00 H new ATOM 0 HG LEU A 24 13.156 -11.503 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.120 -10.311 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.939 -12.052 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.542 -11.379 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.550 -9.503 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.989 -10.539 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.683 -10.653 -10.743 1.00 0.00 H new ATOM 378 N THR A 25 15.468 -12.765 -12.172 1.00 0.00 N ATOM 379 CA THR A 25 15.818 -12.019 -13.374 1.00 0.00 C ATOM 380 C THR A 25 14.902 -12.387 -14.536 1.00 0.00 C ATOM 381 O THR A 25 14.688 -11.588 -15.447 1.00 0.00 O ATOM 382 CB THR A 25 17.280 -12.273 -13.788 1.00 0.00 C ATOM 383 OG1 THR A 25 17.584 -11.544 -14.982 1.00 0.00 O ATOM 384 CG2 THR A 25 17.528 -13.756 -14.015 1.00 0.00 C ATOM 0 H THR A 25 16.247 -13.266 -11.745 1.00 0.00 H new ATOM 0 HA THR A 25 15.694 -10.962 -13.137 1.00 0.00 H new ATOM 0 HB THR A 25 17.928 -11.933 -12.980 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.179 -10.653 -14.933 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.567 -13.911 -14.306 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.324 -14.304 -13.095 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.871 -14.118 -14.806 1.00 0.00 H new ATOM 392 N ASP A 26 14.363 -13.601 -14.497 1.00 0.00 N ATOM 393 CA ASP A 26 13.468 -14.074 -15.546 1.00 0.00 C ATOM 394 C ASP A 26 12.009 -13.886 -15.141 1.00 0.00 C ATOM 395 O ASP A 26 11.118 -13.859 -15.989 1.00 0.00 O ATOM 396 CB ASP A 26 13.740 -15.548 -15.851 1.00 0.00 C ATOM 397 CG ASP A 26 13.297 -15.941 -17.247 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.834 -15.374 -18.221 1.00 0.00 O ATOM 399 OD2 ASP A 26 12.413 -16.815 -17.365 1.00 0.00 O ATOM 0 H ASP A 26 14.531 -14.275 -13.750 1.00 0.00 H new ATOM 0 HA ASP A 26 13.656 -13.485 -16.443 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.806 -15.748 -15.741 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.222 -16.169 -15.120 1.00 0.00 H new ATOM 404 N ALA A 27 11.773 -13.759 -13.839 1.00 0.00 N ATOM 405 CA ALA A 27 10.423 -13.573 -13.322 1.00 0.00 C ATOM 406 C ALA A 27 10.096 -12.092 -13.161 1.00 0.00 C ATOM 407 O ALA A 27 9.163 -11.726 -12.446 1.00 0.00 O ATOM 408 CB ALA A 27 10.262 -14.298 -11.994 1.00 0.00 C ATOM 0 H ALA A 27 12.499 -13.782 -13.123 1.00 0.00 H new ATOM 0 HA ALA A 27 9.723 -13.997 -14.042 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.249 -14.151 -11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.445 -15.363 -12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.977 -13.900 -11.273 1.00 0.00 H new ATOM 414 N LEU A 28 10.869 -11.244 -13.830 1.00 0.00 N ATOM 415 CA LEU A 28 10.662 -9.802 -13.761 1.00 0.00 C ATOM 416 C LEU A 28 9.881 -9.305 -14.974 1.00 0.00 C ATOM 417 O LEU A 28 8.834 -8.673 -14.834 1.00 0.00 O ATOM 418 CB LEU A 28 12.006 -9.077 -13.674 1.00 0.00 C ATOM 419 CG LEU A 28 12.571 -8.876 -12.267 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.089 -8.958 -12.285 1.00 0.00 C ATOM 421 CD2 LEU A 28 12.113 -7.543 -11.694 1.00 0.00 C ATOM 0 H LEU A 28 11.645 -11.530 -14.427 1.00 0.00 H new ATOM 0 HA LEU A 28 10.081 -9.586 -12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.736 -9.635 -14.260 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.900 -8.099 -14.144 1.00 0.00 H new ATOM 0 HG LEU A 28 12.193 -9.673 -11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.473 -8.813 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.396 -9.937 -12.653 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.487 -8.183 -12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.524 -7.417 -10.693 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.462 -6.733 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.024 -7.523 -11.644 1.00 0.00 H new ATOM 433 N ARG A 29 10.396 -9.598 -16.163 1.00 0.00 N ATOM 434 CA ARG A 29 9.747 -9.182 -17.400 1.00 0.00 C ATOM 435 C ARG A 29 8.292 -9.641 -17.432 1.00 0.00 C ATOM 436 O ARG A 29 7.420 -8.947 -17.956 1.00 0.00 O ATOM 437 CB ARG A 29 10.497 -9.744 -18.609 1.00 0.00 C ATOM 438 CG ARG A 29 10.274 -11.232 -18.826 1.00 0.00 C ATOM 439 CD ARG A 29 11.002 -11.730 -20.065 1.00 0.00 C ATOM 440 NE ARG A 29 10.384 -12.932 -20.617 1.00 0.00 N ATOM 441 CZ ARG A 29 10.462 -14.128 -20.044 1.00 0.00 C ATOM 442 NH1 ARG A 29 11.128 -14.280 -18.908 1.00 0.00 N ATOM 443 NH2 ARG A 29 9.873 -15.175 -20.608 1.00 0.00 N ATOM 0 H ARG A 29 11.261 -10.122 -16.296 1.00 0.00 H new ATOM 0 HA ARG A 29 9.767 -8.093 -17.443 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.184 -9.204 -19.503 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.564 -9.560 -18.482 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.621 -11.784 -17.952 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.207 -11.430 -18.925 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.008 -10.945 -20.822 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.042 -11.939 -19.815 1.00 0.00 H new ATOM 0 HE ARG A 29 9.864 -12.849 -21.490 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.582 -13.478 -18.472 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.186 -15.199 -18.470 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.360 -15.062 -21.482 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.933 -16.093 -20.167 1.00 0.00 H new ATOM 457 N THR A 30 8.036 -10.818 -16.868 1.00 0.00 N ATOM 458 CA THR A 30 6.688 -11.372 -16.833 1.00 0.00 C ATOM 459 C THR A 30 5.718 -10.412 -16.154 1.00 0.00 C ATOM 460 O THR A 30 4.594 -10.218 -16.619 1.00 0.00 O ATOM 461 CB THR A 30 6.656 -12.724 -16.096 1.00 0.00 C ATOM 462 OG1 THR A 30 5.313 -13.220 -16.041 1.00 0.00 O ATOM 463 CG2 THR A 30 7.209 -12.586 -14.686 1.00 0.00 C ATOM 0 H THR A 30 8.745 -11.406 -16.429 1.00 0.00 H new ATOM 0 HA THR A 30 6.380 -11.524 -17.868 1.00 0.00 H new ATOM 0 HB THR A 30 7.281 -13.427 -16.646 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.301 -14.081 -15.572 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.176 -13.554 -14.186 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.240 -12.237 -14.732 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.608 -11.868 -14.128 1.00 0.00 H new ATOM 471 N LEU A 31 6.157 -9.814 -15.052 1.00 0.00 N ATOM 472 CA LEU A 31 5.327 -8.873 -14.308 1.00 0.00 C ATOM 473 C LEU A 31 5.120 -7.586 -15.100 1.00 0.00 C ATOM 474 O LEU A 31 4.157 -6.854 -14.874 1.00 0.00 O ATOM 475 CB LEU A 31 5.966 -8.557 -12.956 1.00 0.00 C ATOM 476 CG LEU A 31 6.589 -9.740 -12.214 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.315 -9.265 -10.965 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.523 -10.766 -11.856 1.00 0.00 C ATOM 0 H LEU A 31 7.084 -9.964 -14.654 1.00 0.00 H new ATOM 0 HA LEU A 31 4.354 -9.336 -14.143 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.738 -7.803 -13.109 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.207 -8.110 -12.314 1.00 0.00 H new ATOM 0 HG LEU A 31 7.316 -10.215 -12.873 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.752 -10.121 -10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.105 -8.569 -11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.609 -8.764 -10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.984 -11.601 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.772 -10.303 -11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.048 -11.130 -12.767 1.00 0.00 H new ATOM 490 N GLY A 32 6.030 -7.317 -16.031 1.00 0.00 N ATOM 491 CA GLY A 32 5.929 -6.119 -16.844 1.00 0.00 C ATOM 492 C GLY A 32 7.158 -5.239 -16.736 1.00 0.00 C ATOM 493 O GLY A 32 7.048 -4.029 -16.540 1.00 0.00 O ATOM 0 H GLY A 32 6.836 -7.908 -16.237 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.779 -6.402 -17.886 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.051 -5.550 -16.539 1.00 0.00 H new ATOM 497 N SER A 33 8.333 -5.848 -16.862 1.00 0.00 N ATOM 498 CA SER A 33 9.589 -5.113 -16.771 1.00 0.00 C ATOM 499 C SER A 33 10.264 -5.021 -18.137 1.00 0.00 C ATOM 500 O SER A 33 9.855 -5.682 -19.091 1.00 0.00 O ATOM 501 CB SER A 33 10.528 -5.787 -15.770 1.00 0.00 C ATOM 502 OG SER A 33 9.814 -6.266 -14.643 1.00 0.00 O ATOM 0 H SER A 33 8.441 -6.849 -17.027 1.00 0.00 H new ATOM 0 HA SER A 33 9.367 -4.103 -16.426 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.047 -6.614 -16.254 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.290 -5.078 -15.447 1.00 0.00 H new ATOM 0 HG SER A 33 9.197 -6.974 -14.923 1.00 0.00 H new ATOM 508 N THR A 34 11.302 -4.195 -18.222 1.00 0.00 N ATOM 509 CA THR A 34 12.034 -4.014 -19.469 1.00 0.00 C ATOM 510 C THR A 34 13.538 -4.116 -19.243 1.00 0.00 C ATOM 511 O THR A 34 14.330 -3.888 -20.158 1.00 0.00 O ATOM 512 CB THR A 34 11.715 -2.652 -20.116 1.00 0.00 C ATOM 513 OG1 THR A 34 10.838 -1.902 -19.269 1.00 0.00 O ATOM 514 CG2 THR A 34 11.072 -2.840 -21.482 1.00 0.00 C ATOM 0 H THR A 34 11.655 -3.641 -17.442 1.00 0.00 H new ATOM 0 HA THR A 34 11.715 -4.811 -20.141 1.00 0.00 H new ATOM 0 HB THR A 34 12.650 -2.106 -20.244 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.641 -1.037 -19.686 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.856 -1.865 -21.920 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.754 -3.387 -22.133 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.145 -3.403 -21.373 1.00 0.00 H new ATOM 522 N SER A 35 13.926 -4.461 -18.020 1.00 0.00 N ATOM 523 CA SER A 35 15.337 -4.590 -17.673 1.00 0.00 C ATOM 524 C SER A 35 15.628 -5.968 -17.087 1.00 0.00 C ATOM 525 O SER A 35 16.436 -6.106 -16.169 1.00 0.00 O ATOM 526 CB SER A 35 15.741 -3.503 -16.675 1.00 0.00 C ATOM 527 OG SER A 35 15.075 -3.676 -15.436 1.00 0.00 O ATOM 0 H SER A 35 13.283 -4.656 -17.252 1.00 0.00 H new ATOM 0 HA SER A 35 15.922 -4.471 -18.585 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.819 -3.531 -16.519 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.503 -2.522 -17.085 1.00 0.00 H new ATOM 0 HG SER A 35 15.351 -2.970 -14.815 1.00 0.00 H new ATOM 533 N ALA A 36 14.963 -6.986 -17.625 1.00 0.00 N ATOM 534 CA ALA A 36 15.151 -8.354 -17.158 1.00 0.00 C ATOM 535 C ALA A 36 16.398 -8.978 -17.774 1.00 0.00 C ATOM 536 O ALA A 36 17.120 -9.726 -17.115 1.00 0.00 O ATOM 537 CB ALA A 36 13.924 -9.194 -17.479 1.00 0.00 C ATOM 0 H ALA A 36 14.289 -6.889 -18.385 1.00 0.00 H new ATOM 0 HA ALA A 36 15.287 -8.327 -16.077 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.078 -10.213 -17.125 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.051 -8.766 -16.986 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.762 -9.205 -18.557 1.00 0.00 H new ATOM 543 N ASP A 37 16.646 -8.666 -19.041 1.00 0.00 N ATOM 544 CA ASP A 37 17.807 -9.196 -19.747 1.00 0.00 C ATOM 545 C ASP A 37 19.032 -8.318 -19.514 1.00 0.00 C ATOM 546 O ASP A 37 20.117 -8.605 -20.018 1.00 0.00 O ATOM 547 CB ASP A 37 17.516 -9.302 -21.245 1.00 0.00 C ATOM 548 CG ASP A 37 18.159 -10.521 -21.875 1.00 0.00 C ATOM 549 OD1 ASP A 37 18.257 -11.561 -21.191 1.00 0.00 O ATOM 550 OD2 ASP A 37 18.564 -10.436 -23.053 1.00 0.00 O ATOM 0 H ASP A 37 16.058 -8.048 -19.601 1.00 0.00 H new ATOM 0 HA ASP A 37 18.016 -10.191 -19.355 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.438 -9.342 -21.401 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.877 -8.404 -21.747 1.00 0.00 H new ATOM 555 N GLU A 38 18.849 -7.247 -18.749 1.00 0.00 N ATOM 556 CA GLU A 38 19.940 -6.326 -18.452 1.00 0.00 C ATOM 557 C GLU A 38 20.745 -6.806 -17.248 1.00 0.00 C ATOM 558 O GLU A 38 21.969 -6.922 -17.312 1.00 0.00 O ATOM 559 CB GLU A 38 19.394 -4.922 -18.186 1.00 0.00 C ATOM 560 CG GLU A 38 18.665 -4.316 -19.375 1.00 0.00 C ATOM 561 CD GLU A 38 19.578 -3.486 -20.256 1.00 0.00 C ATOM 562 OE1 GLU A 38 20.254 -4.072 -21.128 1.00 0.00 O ATOM 563 OE2 GLU A 38 19.616 -2.251 -20.075 1.00 0.00 O ATOM 0 H GLU A 38 17.957 -6.996 -18.324 1.00 0.00 H new ATOM 0 HA GLU A 38 20.600 -6.294 -19.319 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.714 -4.961 -17.335 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.219 -4.268 -17.905 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.220 -5.114 -19.969 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.847 -3.692 -19.016 1.00 0.00 H new ATOM 570 N VAL A 39 20.049 -7.084 -16.151 1.00 0.00 N ATOM 571 CA VAL A 39 20.698 -7.553 -14.932 1.00 0.00 C ATOM 572 C VAL A 39 20.974 -9.050 -14.997 1.00 0.00 C ATOM 573 O VAL A 39 21.760 -9.581 -14.212 1.00 0.00 O ATOM 574 CB VAL A 39 19.840 -7.253 -13.688 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.432 -7.802 -13.867 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.491 -7.830 -12.440 1.00 0.00 C ATOM 0 H VAL A 39 19.036 -6.993 -16.081 1.00 0.00 H new ATOM 0 HA VAL A 39 21.643 -7.016 -14.850 1.00 0.00 H new ATOM 0 HB VAL A 39 19.771 -6.172 -13.567 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.840 -7.581 -12.979 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.968 -7.337 -14.737 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.478 -8.881 -14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.871 -7.609 -11.571 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.592 -8.910 -12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.477 -7.385 -12.305 1.00 0.00 H new ATOM 586 N GLN A 40 20.323 -9.726 -15.938 1.00 0.00 N ATOM 587 CA GLN A 40 20.498 -11.164 -16.106 1.00 0.00 C ATOM 588 C GLN A 40 21.975 -11.520 -16.237 1.00 0.00 C ATOM 589 O GLN A 40 22.381 -12.645 -15.941 1.00 0.00 O ATOM 590 CB GLN A 40 19.732 -11.653 -17.336 1.00 0.00 C ATOM 591 CG GLN A 40 19.039 -12.990 -17.130 1.00 0.00 C ATOM 592 CD GLN A 40 19.320 -13.972 -18.250 1.00 0.00 C ATOM 593 OE1 GLN A 40 20.449 -14.075 -18.732 1.00 0.00 O ATOM 594 NE2 GLN A 40 18.293 -14.700 -18.671 1.00 0.00 N ATOM 0 H GLN A 40 19.669 -9.301 -16.596 1.00 0.00 H new ATOM 0 HA GLN A 40 20.100 -11.659 -15.220 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.987 -10.906 -17.611 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.423 -11.737 -18.174 1.00 0.00 H new ATOM 0 HG2 GLN A 40 19.365 -13.422 -16.183 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.964 -12.830 -17.054 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.375 -14.582 -18.243 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.422 -15.378 -19.422 1.00 0.00 H new ATOM 603 N ARG A 41 22.774 -10.556 -16.682 1.00 0.00 N ATOM 604 CA ARG A 41 24.206 -10.769 -16.854 1.00 0.00 C ATOM 605 C ARG A 41 25.008 -9.722 -16.085 1.00 0.00 C ATOM 606 O ARG A 41 26.199 -9.535 -16.331 1.00 0.00 O ATOM 607 CB ARG A 41 24.576 -10.722 -18.337 1.00 0.00 C ATOM 608 CG ARG A 41 24.256 -9.394 -19.003 1.00 0.00 C ATOM 609 CD ARG A 41 25.328 -9.001 -20.008 1.00 0.00 C ATOM 610 NE ARG A 41 24.968 -9.385 -21.370 1.00 0.00 N ATOM 611 CZ ARG A 41 25.579 -8.915 -22.452 1.00 0.00 C ATOM 612 NH1 ARG A 41 26.576 -8.049 -22.330 1.00 0.00 N ATOM 613 NH2 ARG A 41 25.195 -9.312 -23.658 1.00 0.00 N ATOM 0 H ARG A 41 22.454 -9.620 -16.930 1.00 0.00 H new ATOM 0 HA ARG A 41 24.451 -11.754 -16.457 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.642 -10.925 -18.443 1.00 0.00 H new ATOM 0 HB3 ARG A 41 24.046 -11.518 -18.860 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.291 -9.461 -19.506 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.166 -8.617 -18.243 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.487 -7.924 -19.965 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.271 -9.474 -19.735 1.00 0.00 H new ATOM 0 HE ARG A 41 24.206 -10.051 -21.498 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.875 -7.743 -21.404 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.044 -7.689 -23.162 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.430 -9.979 -23.756 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.665 -8.950 -24.488 1.00 0.00 H new ATOM 627 N MET A 42 24.345 -9.043 -15.155 1.00 0.00 N ATOM 628 CA MET A 42 24.996 -8.016 -14.350 1.00 0.00 C ATOM 629 C MET A 42 24.689 -8.209 -12.869 1.00 0.00 C ATOM 630 O MET A 42 25.082 -7.397 -12.033 1.00 0.00 O ATOM 631 CB MET A 42 24.545 -6.624 -14.799 1.00 0.00 C ATOM 632 CG MET A 42 24.728 -6.377 -16.288 1.00 0.00 C ATOM 633 SD MET A 42 24.123 -4.758 -16.802 1.00 0.00 S ATOM 634 CE MET A 42 25.609 -3.772 -16.632 1.00 0.00 C ATOM 0 H MET A 42 23.358 -9.185 -14.940 1.00 0.00 H new ATOM 0 HA MET A 42 26.073 -8.106 -14.494 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.494 -6.492 -14.544 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.105 -5.872 -14.243 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.785 -6.462 -16.539 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.204 -7.151 -16.848 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.396 -2.741 -16.914 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.949 -3.802 -15.597 1.00 0.00 H new ATOM 0 HE3 MET A 42 26.388 -4.172 -17.281 1.00 0.00 H new ATOM 644 N MET A 43 23.984 -9.290 -12.552 1.00 0.00 N ATOM 645 CA MET A 43 23.625 -9.590 -11.170 1.00 0.00 C ATOM 646 C MET A 43 24.817 -10.163 -10.411 1.00 0.00 C ATOM 647 O MET A 43 24.904 -10.041 -9.189 1.00 0.00 O ATOM 648 CB MET A 43 22.456 -10.576 -11.127 1.00 0.00 C ATOM 649 CG MET A 43 21.805 -10.688 -9.758 1.00 0.00 C ATOM 650 SD MET A 43 20.586 -9.394 -9.460 1.00 0.00 S ATOM 651 CE MET A 43 19.066 -10.275 -9.809 1.00 0.00 C ATOM 0 H MET A 43 23.650 -9.973 -13.232 1.00 0.00 H new ATOM 0 HA MET A 43 23.324 -8.660 -10.689 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.704 -10.267 -11.853 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.810 -11.560 -11.433 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.324 -11.662 -9.667 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.576 -10.640 -8.989 1.00 0.00 H new ATOM 0 HE1 MET A 43 18.217 -9.606 -9.668 1.00 0.00 H new ATOM 0 HE2 MET A 43 19.080 -10.632 -10.839 1.00 0.00 H new ATOM 0 HE3 MET A 43 18.974 -11.124 -9.132 1.00 0.00 H new ATOM 661 N ALA A 44 25.733 -10.789 -11.142 1.00 0.00 N ATOM 662 CA ALA A 44 26.921 -11.379 -10.537 1.00 0.00 C ATOM 663 C ALA A 44 28.048 -10.358 -10.430 1.00 0.00 C ATOM 664 O ALA A 44 29.184 -10.705 -10.109 1.00 0.00 O ATOM 665 CB ALA A 44 27.377 -12.588 -11.341 1.00 0.00 C ATOM 0 H ALA A 44 25.675 -10.901 -12.154 1.00 0.00 H new ATOM 0 HA ALA A 44 26.662 -11.702 -9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.265 -13.019 -10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.581 -13.332 -11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.612 -12.280 -12.360 1.00 0.00 H new ATOM 671 N GLU A 45 27.726 -9.097 -10.703 1.00 0.00 N ATOM 672 CA GLU A 45 28.713 -8.026 -10.638 1.00 0.00 C ATOM 673 C GLU A 45 28.179 -6.841 -9.839 1.00 0.00 C ATOM 674 O GLU A 45 28.698 -5.729 -9.935 1.00 0.00 O ATOM 675 CB GLU A 45 29.099 -7.572 -12.048 1.00 0.00 C ATOM 676 CG GLU A 45 27.987 -6.832 -12.774 1.00 0.00 C ATOM 677 CD GLU A 45 28.443 -6.250 -14.098 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.969 -7.016 -14.933 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.274 -5.030 -14.300 1.00 0.00 O ATOM 0 H GLU A 45 26.790 -8.793 -10.971 1.00 0.00 H new ATOM 0 HA GLU A 45 29.598 -8.413 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.974 -6.925 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.388 -8.444 -12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.155 -7.514 -12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.614 -6.030 -12.138 1.00 0.00 H new ATOM 686 N ILE A 46 27.138 -7.088 -9.050 1.00 0.00 N ATOM 687 CA ILE A 46 26.534 -6.043 -8.234 1.00 0.00 C ATOM 688 C ILE A 46 26.408 -6.484 -6.780 1.00 0.00 C ATOM 689 O ILE A 46 26.578 -5.684 -5.860 1.00 0.00 O ATOM 690 CB ILE A 46 25.141 -5.650 -8.762 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.301 -6.902 -9.026 1.00 0.00 C ATOM 692 CG2 ILE A 46 25.270 -4.815 -10.027 1.00 0.00 C ATOM 693 CD1 ILE A 46 23.039 -6.969 -8.195 1.00 0.00 C ATOM 0 H ILE A 46 26.696 -8.003 -8.959 1.00 0.00 H new ATOM 0 HA ILE A 46 27.193 -5.177 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 46 24.637 -5.050 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.033 -6.934 -10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.907 -7.785 -8.824 1.00 0.00 H new ATOM 0 HG21 ILE A 46 24.277 -4.545 -10.388 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.835 -3.909 -9.809 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.790 -5.392 -10.792 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.494 -7.882 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 46 23.300 -6.969 -7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.413 -6.104 -8.414 1.00 0.00 H new ATOM 705 N ASP A 47 26.111 -7.763 -6.580 1.00 0.00 N ATOM 706 CA ASP A 47 25.965 -8.313 -5.237 1.00 0.00 C ATOM 707 C ASP A 47 26.244 -9.813 -5.231 1.00 0.00 C ATOM 708 O ASP A 47 27.234 -10.270 -4.658 1.00 0.00 O ATOM 709 CB ASP A 47 24.559 -8.042 -4.701 1.00 0.00 C ATOM 710 CG ASP A 47 24.223 -6.563 -4.681 1.00 0.00 C ATOM 711 OD1 ASP A 47 24.861 -5.820 -3.907 1.00 0.00 O ATOM 712 OD2 ASP A 47 23.322 -6.150 -5.440 1.00 0.00 O ATOM 0 H ASP A 47 25.967 -8.439 -7.330 1.00 0.00 H new ATOM 0 HA ASP A 47 26.693 -7.823 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 47 23.830 -8.569 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.474 -8.445 -3.692 1.00 0.00 H new ATOM 717 N THR A 48 25.364 -10.577 -5.871 1.00 0.00 N ATOM 718 CA THR A 48 25.514 -12.025 -5.938 1.00 0.00 C ATOM 719 C THR A 48 26.936 -12.413 -6.326 1.00 0.00 C ATOM 720 O THR A 48 27.416 -12.057 -7.402 1.00 0.00 O ATOM 721 CB THR A 48 24.531 -12.645 -6.949 1.00 0.00 C ATOM 722 OG1 THR A 48 23.206 -12.160 -6.705 1.00 0.00 O ATOM 723 CG2 THR A 48 24.545 -14.163 -6.855 1.00 0.00 C ATOM 0 H THR A 48 24.539 -10.216 -6.351 1.00 0.00 H new ATOM 0 HA THR A 48 25.293 -12.412 -4.943 1.00 0.00 H new ATOM 0 HB THR A 48 24.845 -12.355 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.659 -12.286 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.843 -14.579 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.548 -14.532 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.254 -14.468 -5.850 1.00 0.00 H new ATOM 731 N ASP A 49 27.606 -13.146 -5.443 1.00 0.00 N ATOM 732 CA ASP A 49 28.974 -13.584 -5.693 1.00 0.00 C ATOM 733 C ASP A 49 29.011 -14.648 -6.786 1.00 0.00 C ATOM 734 O ASP A 49 30.009 -14.793 -7.492 1.00 0.00 O ATOM 735 CB ASP A 49 29.600 -14.131 -4.410 1.00 0.00 C ATOM 736 CG ASP A 49 29.594 -13.116 -3.284 1.00 0.00 C ATOM 737 OD1 ASP A 49 28.598 -13.069 -2.532 1.00 0.00 O ATOM 738 OD2 ASP A 49 30.586 -12.368 -3.155 1.00 0.00 O ATOM 0 H ASP A 49 27.223 -13.449 -4.547 1.00 0.00 H new ATOM 0 HA ASP A 49 29.550 -12.722 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.056 -15.022 -4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.626 -14.439 -4.612 1.00 0.00 H new ATOM 743 N GLY A 50 27.917 -15.392 -6.920 1.00 0.00 N ATOM 744 CA GLY A 50 27.846 -16.434 -7.927 1.00 0.00 C ATOM 745 C GLY A 50 26.941 -17.577 -7.516 1.00 0.00 C ATOM 746 O GLY A 50 26.536 -18.388 -8.350 1.00 0.00 O ATOM 0 H GLY A 50 27.078 -15.291 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.484 -16.007 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.848 -16.819 -8.118 1.00 0.00 H new ATOM 750 N ASP A 51 26.622 -17.644 -6.228 1.00 0.00 N ATOM 751 CA ASP A 51 25.759 -18.698 -5.708 1.00 0.00 C ATOM 752 C ASP A 51 24.480 -18.809 -6.532 1.00 0.00 C ATOM 753 O ASP A 51 24.016 -19.908 -6.831 1.00 0.00 O ATOM 754 CB ASP A 51 25.415 -18.427 -4.242 1.00 0.00 C ATOM 755 CG ASP A 51 26.649 -18.305 -3.371 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.340 -19.327 -3.173 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.925 -17.188 -2.886 1.00 0.00 O ATOM 0 H ASP A 51 26.948 -16.981 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 51 26.298 -19.643 -5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.832 -17.508 -4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.786 -19.233 -3.865 1.00 0.00 H new ATOM 762 N GLY A 52 23.914 -17.661 -6.894 1.00 0.00 N ATOM 763 CA GLY A 52 22.693 -17.652 -7.678 1.00 0.00 C ATOM 764 C GLY A 52 21.470 -17.329 -6.843 1.00 0.00 C ATOM 765 O GLY A 52 20.349 -17.684 -7.208 1.00 0.00 O ATOM 0 H GLY A 52 24.279 -16.738 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.785 -16.920 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.560 -18.626 -8.149 1.00 0.00 H new ATOM 769 N PHE A 53 21.684 -16.654 -5.719 1.00 0.00 N ATOM 770 CA PHE A 53 20.590 -16.286 -4.828 1.00 0.00 C ATOM 771 C PHE A 53 20.903 -14.987 -4.091 1.00 0.00 C ATOM 772 O PHE A 53 22.011 -14.459 -4.185 1.00 0.00 O ATOM 773 CB PHE A 53 20.326 -17.406 -3.819 1.00 0.00 C ATOM 774 CG PHE A 53 19.802 -18.666 -4.447 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.673 -19.628 -4.933 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.438 -18.889 -4.551 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.194 -20.788 -5.511 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.954 -20.047 -5.128 1.00 0.00 C ATOM 779 CZ PHE A 53 18.832 -20.998 -5.609 1.00 0.00 C ATOM 0 H PHE A 53 22.605 -16.351 -5.403 1.00 0.00 H new ATOM 0 HA PHE A 53 19.697 -16.134 -5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.251 -17.631 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.610 -17.054 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.739 -19.469 -4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.746 -18.149 -4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.884 -21.530 -5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.889 -20.209 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.455 -21.904 -6.061 1.00 0.00 H new ATOM 789 N ILE A 54 19.918 -14.477 -3.358 1.00 0.00 N ATOM 790 CA ILE A 54 20.087 -13.241 -2.605 1.00 0.00 C ATOM 791 C ILE A 54 19.159 -13.202 -1.396 1.00 0.00 C ATOM 792 O ILE A 54 17.970 -13.501 -1.504 1.00 0.00 O ATOM 793 CB ILE A 54 19.819 -12.005 -3.484 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.498 -12.166 -4.239 1.00 0.00 C ATOM 795 CG2 ILE A 54 20.968 -11.788 -4.458 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.261 -11.092 -5.278 1.00 0.00 C ATOM 0 H ILE A 54 18.995 -14.901 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 54 21.123 -13.218 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 54 19.744 -11.129 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.484 -13.141 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.676 -12.155 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.764 -10.911 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.893 -11.634 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.072 -12.663 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.306 -11.269 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.243 -10.115 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.063 -11.116 -6.016 1.00 0.00 H new ATOM 808 N ASP A 55 19.710 -12.830 -0.246 1.00 0.00 N ATOM 809 CA ASP A 55 18.931 -12.748 0.984 1.00 0.00 C ATOM 810 C ASP A 55 17.985 -11.552 0.950 1.00 0.00 C ATOM 811 O ASP A 55 16.764 -11.712 0.936 1.00 0.00 O ATOM 812 CB ASP A 55 19.859 -12.646 2.195 1.00 0.00 C ATOM 813 CG ASP A 55 19.116 -12.277 3.464 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.006 -12.808 3.677 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.646 -11.459 4.245 1.00 0.00 O ATOM 0 H ASP A 55 20.693 -12.580 -0.140 1.00 0.00 H new ATOM 0 HA ASP A 55 18.335 -13.657 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.369 -13.599 2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.628 -11.900 1.998 1.00 0.00 H new ATOM 820 N PHE A 56 18.557 -10.352 0.937 1.00 0.00 N ATOM 821 CA PHE A 56 17.764 -9.128 0.907 1.00 0.00 C ATOM 822 C PHE A 56 18.614 -7.941 0.462 1.00 0.00 C ATOM 823 O PHE A 56 18.263 -7.231 -0.479 1.00 0.00 O ATOM 824 CB PHE A 56 17.163 -8.850 2.286 1.00 0.00 C ATOM 825 CG PHE A 56 15.965 -7.945 2.246 1.00 0.00 C ATOM 826 CD1 PHE A 56 16.079 -6.643 1.785 1.00 0.00 C ATOM 827 CD2 PHE A 56 14.725 -8.395 2.670 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.979 -5.808 1.748 1.00 0.00 C ATOM 829 CE2 PHE A 56 13.621 -7.564 2.635 1.00 0.00 C ATOM 830 CZ PHE A 56 13.748 -6.269 2.172 1.00 0.00 C ATOM 0 H PHE A 56 19.566 -10.201 0.947 1.00 0.00 H new ATOM 0 HA PHE A 56 16.957 -9.265 0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.879 -9.796 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 56 17.926 -8.402 2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.039 -6.277 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.620 -9.407 3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.082 -4.795 1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.660 -7.927 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.887 -5.618 2.142 1.00 0.00 H new ATOM 840 N ASN A 57 19.734 -7.733 1.147 1.00 0.00 N ATOM 841 CA ASN A 57 20.634 -6.632 0.824 1.00 0.00 C ATOM 842 C ASN A 57 21.098 -6.717 -0.627 1.00 0.00 C ATOM 843 O ASN A 57 21.101 -5.719 -1.346 1.00 0.00 O ATOM 844 CB ASN A 57 21.844 -6.643 1.760 1.00 0.00 C ATOM 845 CG ASN A 57 21.739 -5.599 2.855 1.00 0.00 C ATOM 846 OD1 ASN A 57 22.121 -4.444 2.665 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.218 -6.001 4.008 1.00 0.00 N ATOM 0 H ASN A 57 20.040 -8.312 1.929 1.00 0.00 H new ATOM 0 HA ASN A 57 20.088 -5.698 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.941 -7.630 2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.750 -6.467 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.121 -5.343 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.915 -6.968 4.121 1.00 0.00 H new ATOM 854 N GLU A 58 21.490 -7.915 -1.048 1.00 0.00 N ATOM 855 CA GLU A 58 21.957 -8.129 -2.413 1.00 0.00 C ATOM 856 C GLU A 58 20.847 -7.841 -3.419 1.00 0.00 C ATOM 857 O GLU A 58 21.104 -7.663 -4.610 1.00 0.00 O ATOM 858 CB GLU A 58 22.456 -9.566 -2.585 1.00 0.00 C ATOM 859 CG GLU A 58 23.472 -9.987 -1.537 1.00 0.00 C ATOM 860 CD GLU A 58 24.503 -8.910 -1.258 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.182 -7.962 -0.511 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.629 -9.015 -1.787 1.00 0.00 O ATOM 0 H GLU A 58 21.494 -8.752 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 58 22.781 -7.441 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.604 -10.245 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.902 -9.671 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 58 22.952 -10.236 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.979 -10.892 -1.871 1.00 0.00 H new ATOM 869 N PHE A 59 19.611 -7.796 -2.931 1.00 0.00 N ATOM 870 CA PHE A 59 18.461 -7.531 -3.787 1.00 0.00 C ATOM 871 C PHE A 59 18.144 -6.039 -3.826 1.00 0.00 C ATOM 872 O PHE A 59 17.725 -5.509 -4.855 1.00 0.00 O ATOM 873 CB PHE A 59 17.240 -8.310 -3.293 1.00 0.00 C ATOM 874 CG PHE A 59 15.933 -7.730 -3.751 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.499 -7.909 -5.055 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.137 -7.005 -2.878 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.297 -7.376 -5.479 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.934 -6.469 -3.297 1.00 0.00 C ATOM 879 CZ PHE A 59 13.512 -6.656 -4.599 1.00 0.00 C ATOM 0 H PHE A 59 19.381 -7.940 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 59 18.709 -7.859 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.312 -9.341 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.254 -8.338 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.107 -8.472 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.461 -6.857 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.971 -7.522 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.324 -5.904 -2.607 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.571 -6.241 -4.928 1.00 0.00 H new ATOM 889 N ILE A 60 18.348 -5.367 -2.697 1.00 0.00 N ATOM 890 CA ILE A 60 18.085 -3.937 -2.602 1.00 0.00 C ATOM 891 C ILE A 60 19.165 -3.131 -3.316 1.00 0.00 C ATOM 892 O ILE A 60 18.884 -2.097 -3.921 1.00 0.00 O ATOM 893 CB ILE A 60 18.002 -3.476 -1.135 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.814 -4.141 -0.435 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.887 -1.961 -1.061 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.473 -3.724 -0.996 1.00 0.00 C ATOM 0 H ILE A 60 18.694 -5.790 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 60 17.124 -3.760 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 60 18.916 -3.776 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.913 -5.223 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.846 -3.898 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.829 -1.651 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.761 -1.507 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.988 -1.638 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.677 -4.234 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.353 -2.646 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.421 -3.992 -2.051 1.00 0.00 H new ATOM 908 N SER A 61 20.401 -3.613 -3.242 1.00 0.00 N ATOM 909 CA SER A 61 21.525 -2.936 -3.879 1.00 0.00 C ATOM 910 C SER A 61 21.202 -2.599 -5.332 1.00 0.00 C ATOM 911 O SER A 61 21.189 -1.431 -5.722 1.00 0.00 O ATOM 912 CB SER A 61 22.778 -3.811 -3.813 1.00 0.00 C ATOM 913 OG SER A 61 23.593 -3.622 -4.958 1.00 0.00 O ATOM 0 H SER A 61 20.650 -4.470 -2.747 1.00 0.00 H new ATOM 0 HA SER A 61 21.711 -2.007 -3.341 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.346 -3.571 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.490 -4.859 -3.737 1.00 0.00 H new ATOM 0 HG SER A 61 23.477 -4.378 -5.570 1.00 0.00 H new ATOM 919 N PHE A 62 20.943 -3.630 -6.129 1.00 0.00 N ATOM 920 CA PHE A 62 20.622 -3.445 -7.539 1.00 0.00 C ATOM 921 C PHE A 62 19.256 -2.784 -7.703 1.00 0.00 C ATOM 922 O PHE A 62 18.909 -2.313 -8.787 1.00 0.00 O ATOM 923 CB PHE A 62 20.642 -4.789 -8.269 1.00 0.00 C ATOM 924 CG PHE A 62 19.309 -5.181 -8.841 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.327 -5.728 -8.031 1.00 0.00 C ATOM 926 CD2 PHE A 62 19.039 -5.002 -10.188 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.099 -6.089 -8.554 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.813 -5.361 -10.716 1.00 0.00 C ATOM 929 CZ PHE A 62 16.843 -5.906 -9.899 1.00 0.00 C ATOM 0 H PHE A 62 20.949 -4.603 -5.822 1.00 0.00 H new ATOM 0 HA PHE A 62 21.377 -2.792 -7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.375 -4.745 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.974 -5.564 -7.578 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.523 -5.874 -6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.795 -4.577 -10.832 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.341 -6.513 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.614 -5.215 -11.767 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.885 -6.189 -10.311 1.00 0.00 H new ATOM 939 N CYS A 63 18.487 -2.754 -6.621 1.00 0.00 N ATOM 940 CA CYS A 63 17.158 -2.153 -6.644 1.00 0.00 C ATOM 941 C CYS A 63 17.245 -0.636 -6.514 1.00 0.00 C ATOM 942 O CYS A 63 16.660 -0.047 -5.606 1.00 0.00 O ATOM 943 CB CYS A 63 16.296 -2.725 -5.518 1.00 0.00 C ATOM 944 SG CYS A 63 14.558 -2.233 -5.594 1.00 0.00 S ATOM 0 H CYS A 63 18.760 -3.139 -5.717 1.00 0.00 H new ATOM 0 HA CYS A 63 16.696 -2.392 -7.602 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.356 -3.813 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.710 -2.408 -4.561 1.00 0.00 H new ATOM 0 HG CYS A 63 14.476 -0.937 -5.643 1.00 0.00 H new ATOM 950 N ASN A 64 17.982 -0.010 -7.426 1.00 0.00 N ATOM 951 CA ASN A 64 18.148 1.439 -7.411 1.00 0.00 C ATOM 952 C ASN A 64 16.794 2.142 -7.372 1.00 0.00 C ATOM 953 O ASN A 64 16.627 3.152 -6.689 1.00 0.00 O ATOM 954 CB ASN A 64 18.936 1.895 -8.640 1.00 0.00 C ATOM 955 CG ASN A 64 20.183 1.063 -8.869 1.00 0.00 C ATOM 956 OD1 ASN A 64 21.044 0.961 -7.995 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.286 0.464 -10.050 1.00 0.00 N ATOM 0 H ASN A 64 18.473 -0.483 -8.184 1.00 0.00 H new ATOM 0 HA ASN A 64 18.702 1.707 -6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.296 1.836 -9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.218 2.941 -8.520 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.103 -0.108 -10.262 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.548 0.576 -10.745 1.00 0.00 H new ATOM 964 N ALA A 65 15.830 1.598 -8.108 1.00 0.00 N ATOM 965 CA ALA A 65 14.490 2.171 -8.155 1.00 0.00 C ATOM 966 C ALA A 65 14.544 3.675 -8.397 1.00 0.00 C ATOM 967 O ALA A 65 13.695 4.422 -7.913 1.00 0.00 O ATOM 968 CB ALA A 65 13.742 1.869 -6.865 1.00 0.00 C ATOM 0 H ALA A 65 15.952 0.762 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 65 13.956 1.715 -8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.743 2.303 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.663 0.790 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.283 2.298 -6.022 1.00 0.00 H new ATOM 974 N ASN A 66 15.549 4.113 -9.150 1.00 0.00 N ATOM 975 CA ASN A 66 15.714 5.529 -9.455 1.00 0.00 C ATOM 976 C ASN A 66 14.819 5.943 -10.620 1.00 0.00 C ATOM 977 O ASN A 66 13.879 6.723 -10.466 1.00 0.00 O ATOM 978 CB ASN A 66 17.176 5.833 -9.789 1.00 0.00 C ATOM 979 CG ASN A 66 17.882 6.577 -8.671 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.490 7.623 -8.893 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.803 6.037 -7.460 1.00 0.00 N ATOM 0 H ASN A 66 16.260 3.508 -9.559 1.00 0.00 H new ATOM 0 HA ASN A 66 15.422 6.101 -8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.702 4.899 -9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.221 6.427 -10.702 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.258 6.492 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.288 5.168 -7.322 1.00 0.00 H new ATOM 988 N PRO A 67 15.116 5.408 -11.813 1.00 0.00 N ATOM 989 CA PRO A 67 14.349 5.705 -13.027 1.00 0.00 C ATOM 990 C PRO A 67 12.951 5.099 -12.993 1.00 0.00 C ATOM 991 O PRO A 67 12.112 5.400 -13.841 1.00 0.00 O ATOM 992 CB PRO A 67 15.183 5.064 -14.139 1.00 0.00 C ATOM 993 CG PRO A 67 15.945 3.977 -13.463 1.00 0.00 C ATOM 994 CD PRO A 67 16.222 4.470 -12.070 1.00 0.00 C ATOM 0 HA PRO A 67 14.191 6.776 -13.157 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.548 4.668 -14.932 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.853 5.790 -14.600 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.369 3.052 -13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.873 3.763 -13.993 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.231 3.653 -11.349 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.191 4.964 -12.004 1.00 0.00 H new ATOM 1002 N GLY A 68 12.706 4.242 -12.005 1.00 0.00 N ATOM 1003 CA GLY A 68 11.407 3.607 -11.879 1.00 0.00 C ATOM 1004 C GLY A 68 11.382 2.214 -12.476 1.00 0.00 C ATOM 1005 O GLY A 68 10.396 1.813 -13.095 1.00 0.00 O ATOM 0 H GLY A 68 13.384 3.977 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.134 3.552 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.655 4.224 -12.372 1.00 0.00 H new ATOM 1009 N LEU A 69 12.471 1.474 -12.293 1.00 0.00 N ATOM 1010 CA LEU A 69 12.571 0.118 -12.820 1.00 0.00 C ATOM 1011 C LEU A 69 12.044 -0.898 -11.812 1.00 0.00 C ATOM 1012 O LEU A 69 11.541 -1.957 -12.188 1.00 0.00 O ATOM 1013 CB LEU A 69 14.023 -0.206 -13.175 1.00 0.00 C ATOM 1014 CG LEU A 69 15.017 -0.197 -12.013 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.806 -1.497 -11.975 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.955 0.996 -12.123 1.00 0.00 C ATOM 0 H LEU A 69 13.296 1.791 -11.784 1.00 0.00 H new ATOM 0 HA LEU A 69 11.961 0.059 -13.721 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.051 -1.190 -13.643 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.362 0.512 -13.922 1.00 0.00 H new ATOM 0 HG LEU A 69 14.457 -0.109 -11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.508 -1.472 -11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.121 -2.335 -11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.355 -1.617 -12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.655 0.986 -11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.508 0.939 -13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.375 1.918 -12.099 1.00 0.00 H new ATOM 1028 N MET A 70 12.160 -0.568 -10.530 1.00 0.00 N ATOM 1029 CA MET A 70 11.691 -1.451 -9.468 1.00 0.00 C ATOM 1030 C MET A 70 10.479 -0.854 -8.760 1.00 0.00 C ATOM 1031 O MET A 70 9.694 -1.571 -8.140 1.00 0.00 O ATOM 1032 CB MET A 70 12.811 -1.707 -8.458 1.00 0.00 C ATOM 1033 CG MET A 70 14.102 -2.198 -9.093 1.00 0.00 C ATOM 1034 SD MET A 70 14.062 -3.960 -9.475 1.00 0.00 S ATOM 1035 CE MET A 70 14.012 -4.663 -7.829 1.00 0.00 C ATOM 0 H MET A 70 12.575 0.304 -10.201 1.00 0.00 H new ATOM 0 HA MET A 70 11.395 -2.398 -9.920 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.012 -0.786 -7.910 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.471 -2.443 -7.730 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.289 -1.636 -10.008 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.934 -1.995 -8.419 1.00 0.00 H new ATOM 0 HE1 MET A 70 13.841 -5.737 -7.897 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.961 -4.477 -7.325 1.00 0.00 H new ATOM 0 HE3 MET A 70 13.203 -4.203 -7.261 1.00 0.00 H new ATOM 1045 N LYS A 71 10.332 0.463 -8.857 1.00 0.00 N ATOM 1046 CA LYS A 71 9.215 1.157 -8.228 1.00 0.00 C ATOM 1047 C LYS A 71 7.954 1.041 -9.077 1.00 0.00 C ATOM 1048 O LYS A 71 6.841 1.009 -8.552 1.00 0.00 O ATOM 1049 CB LYS A 71 9.562 2.632 -8.010 1.00 0.00 C ATOM 1050 CG LYS A 71 8.377 3.477 -7.574 1.00 0.00 C ATOM 1051 CD LYS A 71 8.821 4.685 -6.766 1.00 0.00 C ATOM 1052 CE LYS A 71 7.648 5.343 -6.056 1.00 0.00 C ATOM 1053 NZ LYS A 71 7.992 6.703 -5.558 1.00 0.00 N ATOM 0 H LYS A 71 10.973 1.071 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 71 9.026 0.688 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.346 2.705 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.969 3.041 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.823 3.809 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.696 2.870 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.567 4.379 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.301 5.408 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.801 5.410 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.334 4.719 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.166 7.117 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.783 6.637 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.267 7.307 -6.359 1.00 0.00 H new ATOM 1067 N ASP A 72 8.135 0.977 -10.392 1.00 0.00 N ATOM 1068 CA ASP A 72 7.011 0.862 -11.314 1.00 0.00 C ATOM 1069 C ASP A 72 6.843 -0.578 -11.787 1.00 0.00 C ATOM 1070 O ASP A 72 6.328 -0.829 -12.877 1.00 0.00 O ATOM 1071 CB ASP A 72 7.213 1.787 -12.515 1.00 0.00 C ATOM 1072 CG ASP A 72 5.905 2.157 -13.187 1.00 0.00 C ATOM 1073 OD1 ASP A 72 5.205 3.053 -12.671 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.581 1.550 -14.229 1.00 0.00 O ATOM 0 H ASP A 72 9.049 1.003 -10.843 1.00 0.00 H new ATOM 0 HA ASP A 72 6.106 1.160 -10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.720 2.695 -12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.865 1.300 -13.240 1.00 0.00 H new ATOM 1079 N VAL A 73 7.281 -1.523 -10.961 1.00 0.00 N ATOM 1080 CA VAL A 73 7.179 -2.939 -11.295 1.00 0.00 C ATOM 1081 C VAL A 73 6.412 -3.702 -10.221 1.00 0.00 C ATOM 1082 O VAL A 73 5.778 -4.719 -10.502 1.00 0.00 O ATOM 1083 CB VAL A 73 8.571 -3.576 -11.468 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.970 -4.335 -10.212 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.589 -4.491 -12.683 1.00 0.00 C ATOM 0 H VAL A 73 7.710 -1.334 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 73 6.638 -3.004 -12.239 1.00 0.00 H new ATOM 0 HB VAL A 73 9.299 -2.781 -11.629 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.956 -4.778 -10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.998 -3.649 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.243 -5.123 -10.016 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.580 -4.933 -12.791 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.851 -5.282 -12.553 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.350 -3.914 -13.576 1.00 0.00 H new ATOM 1095 N ALA A 74 6.474 -3.205 -8.991 1.00 0.00 N ATOM 1096 CA ALA A 74 5.783 -3.839 -7.875 1.00 0.00 C ATOM 1097 C ALA A 74 4.313 -3.437 -7.839 1.00 0.00 C ATOM 1098 O ALA A 74 3.517 -4.017 -7.100 1.00 0.00 O ATOM 1099 CB ALA A 74 6.462 -3.480 -6.561 1.00 0.00 C ATOM 0 H ALA A 74 6.996 -2.365 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 74 5.834 -4.919 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.935 -3.960 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.496 -3.823 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.441 -2.399 -6.424 1.00 0.00 H new ATOM 1105 N LYS A 75 3.958 -2.440 -8.643 1.00 0.00 N ATOM 1106 CA LYS A 75 2.582 -1.960 -8.705 1.00 0.00 C ATOM 1107 C LYS A 75 1.891 -2.451 -9.972 1.00 0.00 C ATOM 1108 O LYS A 75 0.665 -2.545 -10.026 1.00 0.00 O ATOM 1109 CB LYS A 75 2.552 -0.430 -8.655 1.00 0.00 C ATOM 1110 CG LYS A 75 3.556 0.167 -7.683 1.00 0.00 C ATOM 1111 CD LYS A 75 3.276 -0.268 -6.255 1.00 0.00 C ATOM 1112 CE LYS A 75 2.700 0.871 -5.428 1.00 0.00 C ATOM 1113 NZ LYS A 75 1.295 0.601 -5.013 1.00 0.00 N ATOM 0 H LYS A 75 4.604 -1.949 -9.261 1.00 0.00 H new ATOM 0 HA LYS A 75 2.046 -2.357 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.748 -0.038 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.550 -0.104 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.563 -0.138 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.522 1.255 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.578 -1.105 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.198 -0.623 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.317 1.025 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.737 1.794 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.939 1.401 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.701 0.479 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.263 -0.266 -4.440 1.00 0.00 H new ATOM 1127 N VAL A 76 2.686 -2.765 -10.991 1.00 0.00 N ATOM 1128 CA VAL A 76 2.150 -3.249 -12.257 1.00 0.00 C ATOM 1129 C VAL A 76 1.196 -4.419 -12.039 1.00 0.00 C ATOM 1130 O VAL A 76 -0.009 -4.301 -12.263 1.00 0.00 O ATOM 1131 CB VAL A 76 3.276 -3.691 -13.211 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.699 -4.402 -14.425 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.116 -2.494 -13.633 1.00 0.00 C ATOM 0 H VAL A 76 3.703 -2.693 -10.964 1.00 0.00 H new ATOM 0 HA VAL A 76 1.606 -2.419 -12.708 1.00 0.00 H new ATOM 0 HB VAL A 76 3.922 -4.392 -12.683 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.509 -4.707 -15.087 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.144 -5.283 -14.101 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.029 -3.727 -14.958 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.907 -2.824 -14.307 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.484 -1.768 -14.144 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.560 -2.032 -12.751 1.00 0.00 H new ATOM 1143 N PHE A 77 1.744 -5.548 -11.601 1.00 0.00 N ATOM 1144 CA PHE A 77 0.942 -6.740 -11.353 1.00 0.00 C ATOM 1145 C PHE A 77 -0.069 -6.493 -10.237 1.00 0.00 C ATOM 1146 O PHE A 77 0.005 -7.106 -9.173 1.00 0.00 O ATOM 1147 CB PHE A 77 1.844 -7.920 -10.987 1.00 0.00 C ATOM 1148 CG PHE A 77 1.224 -9.259 -11.269 1.00 0.00 C ATOM 1149 CD1 PHE A 77 1.329 -9.835 -12.525 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.536 -9.941 -10.279 1.00 0.00 C ATOM 1151 CE1 PHE A 77 0.761 -11.067 -12.788 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -0.035 -11.173 -10.536 1.00 0.00 C ATOM 1153 CZ PHE A 77 0.077 -11.736 -11.792 1.00 0.00 C ATOM 0 H PHE A 77 2.740 -5.662 -11.411 1.00 0.00 H new ATOM 0 HA PHE A 77 0.397 -6.978 -12.267 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.779 -7.838 -11.541 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.095 -7.860 -9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.861 -9.315 -13.308 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.445 -9.505 -9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.852 -11.506 -13.771 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.568 -11.695 -9.755 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.370 -12.698 -11.995 1.00 0.00 H new