USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 337 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 18 MET CE :methyl -132:sc= -3.75! (180deg=-2.97!) USER MOD Set 1.2: A 21 MET CE :methyl -176:sc= -3.92 (180deg=-3.9) USER MOD Single : A 14 SER OG : rot 27:sc= 0.519 USER MOD Single : A 16 SER OG : rot 76:sc= 0.124 USER MOD Single : A 17 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.307 K(o=-0.31,f=-4!) USER MOD Single : A 36 THR OG1 : rot 69:sc= 0.837 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.258) USER MOD Single : A 38 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.015) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -80:sc= -0.62 USER MOD Single : A 49 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.033) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ALA A 7 0.388 -13.953 -2.368 1.00 43.41 N ATOM 75 CA ALA A 7 -0.328 -15.151 -2.788 1.00 3.14 C ATOM 76 C ALA A 7 -0.785 -15.967 -1.583 1.00 64.34 C ATOM 77 O ALA A 7 -0.606 -15.554 -0.438 1.00 31.15 O ATOM 78 CB ALA A 7 0.548 -15.997 -3.700 1.00 3.03 C ATOM 0 HA ALA A 7 -1.214 -14.840 -3.341 1.00 3.14 H new ATOM 0 HB1 ALA A 7 0.000 -16.888 -4.006 1.00 3.03 H new ATOM 0 HB2 ALA A 7 0.821 -15.418 -4.582 1.00 3.03 H new ATOM 0 HB3 ALA A 7 1.451 -16.292 -3.166 1.00 3.03 H new ATOM 84 N ASP A 8 -1.375 -17.127 -1.850 1.00 41.05 N ATOM 85 CA ASP A 8 -1.857 -18.002 -0.788 1.00 53.22 C ATOM 86 C ASP A 8 -1.267 -19.402 -0.927 1.00 54.22 C ATOM 87 O ASP A 8 -0.800 -19.802 -1.994 1.00 4.25 O ATOM 88 CB ASP A 8 -3.385 -18.074 -0.812 1.00 41.00 C ATOM 89 CG ASP A 8 -4.015 -17.405 0.394 1.00 20.50 C ATOM 90 OD1 ASP A 8 -3.575 -16.293 0.754 1.00 63.31 O ATOM 91 OD2 ASP A 8 -4.949 -17.994 0.978 1.00 41.15 O ATOM 0 H ASP A 8 -1.531 -17.483 -2.793 1.00 41.05 H new ATOM 0 HA ASP A 8 -1.535 -17.585 0.166 1.00 53.22 H new ATOM 0 HB2 ASP A 8 -3.754 -17.599 -1.721 1.00 41.00 H new ATOM 0 HB3 ASP A 8 -3.696 -19.118 -0.849 1.00 41.00 H new ATOM 96 N PRO A 9 -1.288 -20.165 0.175 1.00 21.15 N ATOM 97 CA PRO A 9 -0.758 -21.532 0.202 1.00 15.21 C ATOM 98 C PRO A 9 -1.616 -22.502 -0.604 1.00 10.51 C ATOM 99 O PRO A 9 -1.106 -23.458 -1.187 1.00 33.50 O ATOM 100 CB PRO A 9 -0.792 -21.896 1.688 1.00 33.44 C ATOM 101 CG PRO A 9 -1.863 -21.036 2.265 1.00 5.44 C ATOM 102 CD PRO A 9 -1.830 -19.753 1.481 1.00 31.01 C ATOM 0 HA PRO A 9 0.235 -21.593 -0.243 1.00 15.21 H new ATOM 0 HB2 PRO A 9 -1.013 -22.954 1.831 1.00 33.44 H new ATOM 0 HB3 PRO A 9 0.169 -21.704 2.165 1.00 33.44 H new ATOM 0 HG2 PRO A 9 -2.837 -21.518 2.184 1.00 5.44 H new ATOM 0 HG3 PRO A 9 -1.687 -20.851 3.325 1.00 5.44 H new ATOM 0 HD2 PRO A 9 -2.824 -19.316 1.384 1.00 31.01 H new ATOM 0 HD3 PRO A 9 -1.198 -19.005 1.960 1.00 31.01 H new ATOM 110 N ARG A 10 -2.920 -22.248 -0.633 1.00 12.54 N ATOM 111 CA ARG A 10 -3.848 -23.099 -1.367 1.00 14.11 C ATOM 112 C ARG A 10 -4.028 -22.600 -2.798 1.00 30.13 C ATOM 113 O ARG A 10 -4.929 -23.042 -3.512 1.00 64.34 O ATOM 114 CB ARG A 10 -5.203 -23.144 -0.657 1.00 41.03 C ATOM 115 CG ARG A 10 -5.361 -24.331 0.279 1.00 4.54 C ATOM 116 CD ARG A 10 -4.456 -24.205 1.495 1.00 1.42 C ATOM 117 NE ARG A 10 -4.572 -25.357 2.385 1.00 2.44 N ATOM 118 CZ ARG A 10 -4.015 -26.537 2.136 1.00 14.22 C ATOM 119 NH1 ARG A 10 -3.308 -26.720 1.030 1.00 40.41 N ATOM 120 NH2 ARG A 10 -4.166 -27.537 2.995 1.00 61.10 N ATOM 0 H ARG A 10 -3.358 -21.459 -0.156 1.00 12.54 H new ATOM 0 HA ARG A 10 -3.430 -24.105 -1.401 1.00 14.11 H new ATOM 0 HB2 ARG A 10 -5.337 -22.224 -0.089 1.00 41.03 H new ATOM 0 HB3 ARG A 10 -5.995 -23.174 -1.405 1.00 41.03 H new ATOM 0 HG2 ARG A 10 -6.399 -24.405 0.603 1.00 4.54 H new ATOM 0 HG3 ARG A 10 -5.128 -25.251 -0.256 1.00 4.54 H new ATOM 0 HD2 ARG A 10 -3.421 -24.102 1.168 1.00 1.42 H new ATOM 0 HD3 ARG A 10 -4.709 -23.297 2.042 1.00 1.42 H new ATOM 0 HE ARG A 10 -5.110 -25.250 3.245 1.00 2.44 H new ATOM 0 HH11 ARG A 10 -3.190 -25.954 0.367 1.00 40.41 H new ATOM 0 HH12 ARG A 10 -2.882 -27.627 0.842 1.00 40.41 H new ATOM 0 HH21 ARG A 10 -4.710 -27.400 3.847 1.00 61.10 H new ATOM 0 HH22 ARG A 10 -3.738 -28.443 2.803 1.00 61.10 H new ATOM 134 N LEU A 11 -3.166 -21.677 -3.209 1.00 52.23 N ATOM 135 CA LEU A 11 -3.229 -21.117 -4.555 1.00 14.21 C ATOM 136 C LEU A 11 -1.933 -21.379 -5.315 1.00 54.03 C ATOM 137 O LEU A 11 -1.954 -21.845 -6.455 1.00 34.12 O ATOM 138 CB LEU A 11 -3.501 -19.613 -4.490 1.00 40.24 C ATOM 139 CG LEU A 11 -3.400 -18.855 -5.815 1.00 34.22 C ATOM 140 CD1 LEU A 11 -4.558 -19.224 -6.730 1.00 2.12 C ATOM 141 CD2 LEU A 11 -3.370 -17.354 -5.569 1.00 43.33 C ATOM 0 H LEU A 11 -2.415 -21.300 -2.630 1.00 52.23 H new ATOM 0 HA LEU A 11 -4.045 -21.605 -5.088 1.00 14.21 H new ATOM 0 HB2 LEU A 11 -4.501 -19.462 -4.083 1.00 40.24 H new ATOM 0 HB3 LEU A 11 -2.799 -19.167 -3.785 1.00 40.24 H new ATOM 0 HG LEU A 11 -2.470 -19.141 -6.306 1.00 34.22 H new ATOM 0 HD11 LEU A 11 -4.470 -18.675 -7.668 1.00 2.12 H new ATOM 0 HD12 LEU A 11 -4.535 -20.295 -6.932 1.00 2.12 H new ATOM 0 HD13 LEU A 11 -5.500 -18.967 -6.246 1.00 2.12 H new ATOM 0 HD21 LEU A 11 -3.298 -16.830 -6.522 1.00 43.33 H new ATOM 0 HD22 LEU A 11 -4.283 -17.051 -5.057 1.00 43.33 H new ATOM 0 HD23 LEU A 11 -2.507 -17.104 -4.952 1.00 43.33 H new ATOM 153 N ILE A 12 -0.808 -21.079 -4.677 1.00 3.54 N ATOM 154 CA ILE A 12 0.497 -21.285 -5.292 1.00 5.03 C ATOM 155 C ILE A 12 0.648 -22.717 -5.793 1.00 64.14 C ATOM 156 O ILE A 12 1.365 -22.974 -6.760 1.00 4.31 O ATOM 157 CB ILE A 12 1.640 -20.975 -4.306 1.00 73.22 C ATOM 158 CG1 ILE A 12 1.545 -21.884 -3.079 1.00 73.53 C ATOM 159 CG2 ILE A 12 1.600 -19.512 -3.892 1.00 54.20 C ATOM 160 CD1 ILE A 12 2.392 -23.133 -3.186 1.00 35.42 C ATOM 0 H ILE A 12 -0.773 -20.692 -3.734 1.00 3.54 H new ATOM 0 HA ILE A 12 0.560 -20.598 -6.136 1.00 5.03 H new ATOM 0 HB ILE A 12 2.591 -21.166 -4.804 1.00 73.22 H new ATOM 0 HG12 ILE A 12 1.850 -21.322 -2.196 1.00 73.53 H new ATOM 0 HG13 ILE A 12 0.504 -22.172 -2.930 1.00 73.53 H new ATOM 0 HG21 ILE A 12 2.413 -19.309 -3.196 1.00 54.20 H new ATOM 0 HG22 ILE A 12 1.711 -18.881 -4.774 1.00 54.20 H new ATOM 0 HG23 ILE A 12 0.647 -19.296 -3.409 1.00 54.20 H new ATOM 0 HD11 ILE A 12 2.276 -23.730 -2.281 1.00 35.42 H new ATOM 0 HD12 ILE A 12 2.072 -23.716 -4.049 1.00 35.42 H new ATOM 0 HD13 ILE A 12 3.439 -22.854 -3.304 1.00 35.42 H new ATOM 172 N GLU A 13 -0.034 -23.646 -5.130 1.00 41.34 N ATOM 173 CA GLU A 13 0.024 -25.052 -5.511 1.00 21.25 C ATOM 174 C GLU A 13 -0.341 -25.234 -6.981 1.00 43.11 C ATOM 175 O GLU A 13 0.235 -26.071 -7.676 1.00 22.23 O ATOM 176 CB GLU A 13 -0.918 -25.880 -4.634 1.00 15.41 C ATOM 177 CG GLU A 13 -2.299 -25.265 -4.476 1.00 1.25 C ATOM 178 CD GLU A 13 -3.411 -26.223 -4.856 1.00 12.42 C ATOM 179 OE1 GLU A 13 -3.576 -26.490 -6.065 1.00 3.13 O ATOM 180 OE2 GLU A 13 -4.117 -26.705 -3.945 1.00 51.55 O ATOM 0 H GLU A 13 -0.632 -23.450 -4.327 1.00 41.34 H new ATOM 0 HA GLU A 13 1.046 -25.400 -5.363 1.00 21.25 H new ATOM 0 HB2 GLU A 13 -1.020 -26.876 -5.064 1.00 15.41 H new ATOM 0 HB3 GLU A 13 -0.469 -26.003 -3.648 1.00 15.41 H new ATOM 0 HG2 GLU A 13 -2.435 -24.948 -3.442 1.00 1.25 H new ATOM 0 HG3 GLU A 13 -2.367 -24.371 -5.095 1.00 1.25 H new ATOM 187 N SER A 14 -1.302 -24.444 -7.448 1.00 41.53 N ATOM 188 CA SER A 14 -1.747 -24.519 -8.835 1.00 35.43 C ATOM 189 C SER A 14 -0.772 -23.798 -9.759 1.00 44.22 C ATOM 190 O SER A 14 -0.329 -24.350 -10.767 1.00 74.05 O ATOM 191 CB SER A 14 -3.145 -23.914 -8.977 1.00 52.12 C ATOM 192 OG SER A 14 -4.118 -24.719 -8.334 1.00 22.20 O ATOM 0 H SER A 14 -1.788 -23.744 -6.887 1.00 41.53 H new ATOM 0 HA SER A 14 -1.782 -25.570 -9.123 1.00 35.43 H new ATOM 0 HB2 SER A 14 -3.156 -22.912 -8.548 1.00 52.12 H new ATOM 0 HB3 SER A 14 -3.394 -23.811 -10.033 1.00 52.12 H new ATOM 0 HG SER A 14 -3.697 -25.223 -7.606 1.00 22.20 H new ATOM 198 N LEU A 15 -0.440 -22.560 -9.409 1.00 21.14 N ATOM 199 CA LEU A 15 0.484 -21.761 -10.206 1.00 11.31 C ATOM 200 C LEU A 15 1.746 -22.552 -10.533 1.00 3.02 C ATOM 201 O LEU A 15 2.237 -22.519 -11.661 1.00 74.14 O ATOM 202 CB LEU A 15 0.852 -20.476 -9.461 1.00 31.42 C ATOM 203 CG LEU A 15 -0.254 -19.427 -9.345 1.00 72.11 C ATOM 204 CD1 LEU A 15 -0.428 -18.992 -7.898 1.00 72.13 C ATOM 205 CD2 LEU A 15 0.053 -18.229 -10.231 1.00 52.41 C ATOM 0 H LEU A 15 -0.797 -22.088 -8.578 1.00 21.14 H new ATOM 0 HA LEU A 15 -0.012 -21.502 -11.141 1.00 11.31 H new ATOM 0 HB2 LEU A 15 1.178 -20.743 -8.456 1.00 31.42 H new ATOM 0 HB3 LEU A 15 1.706 -20.021 -9.963 1.00 31.42 H new ATOM 0 HG LEU A 15 -1.189 -19.874 -9.683 1.00 72.11 H new ATOM 0 HD11 LEU A 15 -1.219 -18.245 -7.835 1.00 72.13 H new ATOM 0 HD12 LEU A 15 -0.694 -19.855 -7.288 1.00 72.13 H new ATOM 0 HD13 LEU A 15 0.505 -18.563 -7.532 1.00 72.13 H new ATOM 0 HD21 LEU A 15 -0.745 -17.492 -10.136 1.00 52.41 H new ATOM 0 HD22 LEU A 15 0.998 -17.782 -9.924 1.00 52.41 H new ATOM 0 HD23 LEU A 15 0.126 -18.553 -11.269 1.00 52.41 H new ATOM 217 N SER A 16 2.266 -23.264 -9.538 1.00 64.13 N ATOM 218 CA SER A 16 3.473 -24.063 -9.720 1.00 33.14 C ATOM 219 C SER A 16 3.354 -24.954 -10.952 1.00 60.04 C ATOM 220 O SER A 16 4.344 -25.230 -11.629 1.00 4.22 O ATOM 221 CB SER A 16 3.733 -24.921 -8.480 1.00 1.33 C ATOM 222 OG SER A 16 4.206 -24.130 -7.403 1.00 63.10 O ATOM 0 H SER A 16 1.871 -23.304 -8.598 1.00 64.13 H new ATOM 0 HA SER A 16 4.312 -23.382 -9.865 1.00 33.14 H new ATOM 0 HB2 SER A 16 2.815 -25.429 -8.186 1.00 1.33 H new ATOM 0 HB3 SER A 16 4.464 -25.695 -8.716 1.00 1.33 H new ATOM 0 HG SER A 16 3.461 -23.623 -7.017 1.00 63.10 H new ATOM 228 N GLN A 17 2.135 -25.400 -11.237 1.00 31.40 N ATOM 229 CA GLN A 17 1.886 -26.261 -12.388 1.00 2.24 C ATOM 230 C GLN A 17 1.781 -25.440 -13.669 1.00 11.24 C ATOM 231 O GLN A 17 2.278 -25.845 -14.719 1.00 51.41 O ATOM 232 CB GLN A 17 0.604 -27.069 -12.179 1.00 64.10 C ATOM 233 CG GLN A 17 0.491 -27.683 -10.793 1.00 11.32 C ATOM 234 CD GLN A 17 0.132 -29.155 -10.834 1.00 10.01 C ATOM 235 OE1 GLN A 17 0.554 -29.884 -11.732 1.00 51.22 O ATOM 236 NE2 GLN A 17 -0.651 -29.601 -9.859 1.00 20.25 N ATOM 0 H GLN A 17 1.304 -25.180 -10.687 1.00 31.40 H new ATOM 0 HA GLN A 17 2.727 -26.947 -12.486 1.00 2.24 H new ATOM 0 HB2 GLN A 17 -0.256 -26.422 -12.352 1.00 64.10 H new ATOM 0 HB3 GLN A 17 0.560 -27.863 -12.924 1.00 64.10 H new ATOM 0 HG2 GLN A 17 1.437 -27.558 -10.266 1.00 11.32 H new ATOM 0 HG3 GLN A 17 -0.265 -27.144 -10.222 1.00 11.32 H new ATOM 0 HE21 GLN A 17 -0.978 -28.962 -9.135 1.00 20.25 H new ATOM 0 HE22 GLN A 17 -0.926 -30.583 -9.834 1.00 20.25 H new ATOM 245 N MET A 18 1.130 -24.285 -13.574 1.00 4.15 N ATOM 246 CA MET A 18 0.961 -23.407 -14.725 1.00 51.34 C ATOM 247 C MET A 18 2.301 -22.832 -15.173 1.00 22.12 C ATOM 248 O MET A 18 2.724 -23.031 -16.313 1.00 12.34 O ATOM 249 CB MET A 18 -0.008 -22.271 -14.390 1.00 4.14 C ATOM 250 CG MET A 18 -1.315 -22.748 -13.778 1.00 3.24 C ATOM 251 SD MET A 18 -2.720 -22.535 -14.887 1.00 42.33 S ATOM 252 CE MET A 18 -2.055 -23.207 -16.409 1.00 3.25 C ATOM 0 H MET A 18 0.711 -23.936 -12.712 1.00 4.15 H new ATOM 0 HA MET A 18 0.548 -23.998 -15.542 1.00 51.34 H new ATOM 0 HB2 MET A 18 0.477 -21.582 -13.699 1.00 4.14 H new ATOM 0 HB3 MET A 18 -0.225 -21.710 -15.299 1.00 4.14 H new ATOM 0 HG2 MET A 18 -1.224 -23.801 -13.512 1.00 3.24 H new ATOM 0 HG3 MET A 18 -1.500 -22.200 -12.854 1.00 3.24 H new ATOM 0 HE1 MET A 18 -2.257 -22.519 -17.230 1.00 3.25 H new ATOM 0 HE2 MET A 18 -0.978 -23.343 -16.307 1.00 3.25 H new ATOM 0 HE3 MET A 18 -2.524 -24.168 -16.618 1.00 3.25 H new ATOM 262 N LEU A 19 2.965 -22.119 -14.270 1.00 22.33 N ATOM 263 CA LEU A 19 4.258 -21.515 -14.572 1.00 23.32 C ATOM 264 C LEU A 19 5.245 -22.564 -15.074 1.00 23.42 C ATOM 265 O LEU A 19 6.098 -22.277 -15.914 1.00 23.15 O ATOM 266 CB LEU A 19 4.822 -20.821 -13.331 1.00 34.25 C ATOM 267 CG LEU A 19 3.868 -19.876 -12.599 1.00 40.44 C ATOM 268 CD1 LEU A 19 4.561 -19.237 -11.405 1.00 75.24 C ATOM 269 CD2 LEU A 19 3.344 -18.808 -13.548 1.00 44.55 C ATOM 0 H LEU A 19 2.629 -21.945 -13.323 1.00 22.33 H new ATOM 0 HA LEU A 19 4.110 -20.775 -15.359 1.00 23.32 H new ATOM 0 HB2 LEU A 19 5.152 -21.587 -12.629 1.00 34.25 H new ATOM 0 HB3 LEU A 19 5.706 -20.256 -13.626 1.00 34.25 H new ATOM 0 HG LEU A 19 3.021 -20.457 -12.233 1.00 40.44 H new ATOM 0 HD11 LEU A 19 3.867 -18.568 -10.897 1.00 75.24 H new ATOM 0 HD12 LEU A 19 4.887 -20.015 -10.714 1.00 75.24 H new ATOM 0 HD13 LEU A 19 5.427 -18.670 -11.747 1.00 75.24 H new ATOM 0 HD21 LEU A 19 2.667 -18.144 -13.011 1.00 44.55 H new ATOM 0 HD22 LEU A 19 4.180 -18.231 -13.943 1.00 44.55 H new ATOM 0 HD23 LEU A 19 2.810 -19.283 -14.371 1.00 44.55 H new ATOM 281 N SER A 20 5.122 -23.782 -14.555 1.00 53.11 N ATOM 282 CA SER A 20 6.004 -24.874 -14.949 1.00 51.04 C ATOM 283 C SER A 20 5.564 -25.474 -16.281 1.00 50.35 C ATOM 284 O SER A 20 6.372 -26.043 -17.015 1.00 53.21 O ATOM 285 CB SER A 20 6.022 -25.958 -13.870 1.00 71.21 C ATOM 286 OG SER A 20 6.986 -26.954 -14.164 1.00 71.41 O ATOM 0 H SER A 20 4.420 -24.037 -13.861 1.00 53.11 H new ATOM 0 HA SER A 20 7.010 -24.471 -15.066 1.00 51.04 H new ATOM 0 HB2 SER A 20 6.243 -25.508 -12.902 1.00 71.21 H new ATOM 0 HB3 SER A 20 5.035 -26.414 -13.792 1.00 71.21 H new ATOM 0 HG SER A 20 6.979 -27.634 -13.459 1.00 71.41 H new ATOM 292 N MET A 21 4.277 -25.342 -16.587 1.00 2.55 N ATOM 293 CA MET A 21 3.729 -25.869 -17.831 1.00 21.13 C ATOM 294 C MET A 21 4.014 -24.925 -18.994 1.00 42.40 C ATOM 295 O MET A 21 4.167 -25.358 -20.135 1.00 71.22 O ATOM 296 CB MET A 21 2.221 -26.090 -17.696 1.00 23.05 C ATOM 297 CG MET A 21 1.847 -27.514 -17.319 1.00 22.35 C ATOM 298 SD MET A 21 0.064 -27.776 -17.276 1.00 14.34 S ATOM 299 CE MET A 21 -0.452 -26.422 -16.221 1.00 64.54 C ATOM 0 H MET A 21 3.595 -24.875 -15.990 1.00 2.55 H new ATOM 0 HA MET A 21 4.212 -26.824 -18.035 1.00 21.13 H new ATOM 0 HB2 MET A 21 1.828 -25.408 -16.942 1.00 23.05 H new ATOM 0 HB3 MET A 21 1.739 -25.834 -18.639 1.00 23.05 H new ATOM 0 HG2 MET A 21 2.295 -28.204 -18.034 1.00 22.35 H new ATOM 0 HG3 MET A 21 2.269 -27.750 -16.342 1.00 22.35 H new ATOM 0 HE1 MET A 21 -1.525 -26.490 -16.040 1.00 64.54 H new ATOM 0 HE2 MET A 21 0.080 -26.478 -15.271 1.00 64.54 H new ATOM 0 HE3 MET A 21 -0.226 -25.474 -16.709 1.00 64.54 H new ATOM 309 N GLY A 22 4.084 -23.630 -18.697 1.00 23.53 N ATOM 310 CA GLY A 22 4.350 -22.646 -19.729 1.00 3.53 C ATOM 311 C GLY A 22 3.436 -21.441 -19.630 1.00 12.31 C ATOM 312 O GLY A 22 2.847 -21.016 -20.624 1.00 44.43 O ATOM 0 H GLY A 22 3.961 -23.246 -17.760 1.00 23.53 H new ATOM 0 HA2 GLY A 22 5.387 -22.319 -19.656 1.00 3.53 H new ATOM 0 HA3 GLY A 22 4.230 -23.110 -20.708 1.00 3.53 H new ATOM 316 N PHE A 23 3.314 -20.889 -18.427 1.00 20.41 N ATOM 317 CA PHE A 23 2.462 -19.728 -18.201 1.00 41.41 C ATOM 318 C PHE A 23 3.135 -18.734 -17.258 1.00 63.53 C ATOM 319 O PHE A 23 4.235 -18.980 -16.763 1.00 31.35 O ATOM 320 CB PHE A 23 1.113 -20.162 -17.624 1.00 24.22 C ATOM 321 CG PHE A 23 0.292 -20.987 -18.574 1.00 5.25 C ATOM 322 CD1 PHE A 23 0.431 -22.365 -18.613 1.00 40.11 C ATOM 323 CD2 PHE A 23 -0.618 -20.384 -19.426 1.00 70.14 C ATOM 324 CE1 PHE A 23 -0.323 -23.126 -19.487 1.00 4.23 C ATOM 325 CE2 PHE A 23 -1.375 -21.140 -20.302 1.00 2.01 C ATOM 326 CZ PHE A 23 -1.227 -22.513 -20.331 1.00 54.22 C ATOM 0 H PHE A 23 3.795 -21.228 -17.594 1.00 20.41 H new ATOM 0 HA PHE A 23 2.298 -19.238 -19.161 1.00 41.41 H new ATOM 0 HB2 PHE A 23 1.284 -20.735 -16.713 1.00 24.22 H new ATOM 0 HB3 PHE A 23 0.545 -19.275 -17.342 1.00 24.22 H new ATOM 0 HD1 PHE A 23 1.136 -22.850 -17.954 1.00 40.11 H new ATOM 0 HD2 PHE A 23 -0.738 -19.311 -19.406 1.00 70.14 H new ATOM 0 HE1 PHE A 23 -0.205 -24.199 -19.509 1.00 4.23 H new ATOM 0 HE2 PHE A 23 -2.081 -20.658 -20.962 1.00 2.01 H new ATOM 0 HZ PHE A 23 -1.818 -23.106 -21.013 1.00 54.22 H new ATOM 336 N SER A 24 2.467 -17.611 -17.016 1.00 61.31 N ATOM 337 CA SER A 24 3.002 -16.578 -16.137 1.00 33.23 C ATOM 338 C SER A 24 1.881 -15.889 -15.365 1.00 10.25 C ATOM 339 O SER A 24 0.736 -16.340 -15.376 1.00 34.24 O ATOM 340 CB SER A 24 3.788 -15.546 -16.947 1.00 1.11 C ATOM 341 OG SER A 24 5.046 -15.280 -16.351 1.00 32.15 O ATOM 0 H SER A 24 1.554 -17.393 -17.416 1.00 61.31 H new ATOM 0 HA SER A 24 3.673 -17.055 -15.422 1.00 33.23 H new ATOM 0 HB2 SER A 24 3.934 -15.911 -17.964 1.00 1.11 H new ATOM 0 HB3 SER A 24 3.214 -14.622 -17.020 1.00 1.11 H new ATOM 0 HG SER A 24 5.529 -14.619 -16.889 1.00 32.15 H new ATOM 347 N ASP A 25 2.220 -14.793 -14.695 1.00 0.22 N ATOM 348 CA ASP A 25 1.243 -14.039 -13.917 1.00 64.02 C ATOM 349 C ASP A 25 1.299 -12.555 -14.267 1.00 73.21 C ATOM 350 O ASP A 25 1.069 -11.698 -13.414 1.00 72.44 O ATOM 351 CB ASP A 25 1.492 -14.233 -12.421 1.00 4.54 C ATOM 352 CG ASP A 25 2.954 -14.074 -12.052 1.00 23.43 C ATOM 353 OD1 ASP A 25 3.628 -13.211 -12.653 1.00 23.43 O ATOM 354 OD2 ASP A 25 3.424 -14.813 -11.161 1.00 44.14 O ATOM 0 H ASP A 25 3.164 -14.407 -14.675 1.00 0.22 H new ATOM 0 HA ASP A 25 0.250 -14.415 -14.164 1.00 64.02 H new ATOM 0 HB2 ASP A 25 0.898 -13.511 -11.860 1.00 4.54 H new ATOM 0 HB3 ASP A 25 1.151 -15.225 -12.125 1.00 4.54 H new ATOM 359 N GLU A 26 1.606 -12.260 -15.526 1.00 61.23 N ATOM 360 CA GLU A 26 1.693 -10.880 -15.987 1.00 43.43 C ATOM 361 C GLU A 26 0.430 -10.104 -15.624 1.00 43.13 C ATOM 362 O GLU A 26 -0.655 -10.392 -16.128 1.00 25.23 O ATOM 363 CB GLU A 26 1.914 -10.837 -17.501 1.00 11.11 C ATOM 364 CG GLU A 26 3.160 -11.579 -17.956 1.00 13.54 C ATOM 365 CD GLU A 26 3.940 -10.817 -19.009 1.00 51.05 C ATOM 366 OE1 GLU A 26 4.055 -9.580 -18.883 1.00 4.24 O ATOM 367 OE2 GLU A 26 4.434 -11.457 -19.961 1.00 24.35 O ATOM 0 H GLU A 26 1.799 -12.958 -16.244 1.00 61.23 H new ATOM 0 HA GLU A 26 2.542 -10.411 -15.490 1.00 43.43 H new ATOM 0 HB2 GLU A 26 1.044 -11.265 -17.999 1.00 11.11 H new ATOM 0 HB3 GLU A 26 1.984 -9.797 -17.820 1.00 11.11 H new ATOM 0 HG2 GLU A 26 3.803 -11.764 -17.095 1.00 13.54 H new ATOM 0 HG3 GLU A 26 2.874 -12.552 -18.355 1.00 13.54 H new ATOM 374 N GLY A 27 0.581 -9.118 -14.745 1.00 54.54 N ATOM 375 CA GLY A 27 -0.555 -8.316 -14.329 1.00 10.22 C ATOM 376 C GLY A 27 -1.322 -8.948 -13.184 1.00 52.33 C ATOM 377 O GLY A 27 -1.578 -8.303 -12.168 1.00 41.02 O ATOM 0 H GLY A 27 1.469 -8.860 -14.314 1.00 54.54 H new ATOM 0 HA2 GLY A 27 -0.207 -7.328 -14.028 1.00 10.22 H new ATOM 0 HA3 GLY A 27 -1.225 -8.174 -15.177 1.00 10.22 H new ATOM 381 N GLY A 28 -1.692 -10.214 -13.350 1.00 33.14 N ATOM 382 CA GLY A 28 -2.433 -10.912 -12.315 1.00 1.32 C ATOM 383 C GLY A 28 -3.599 -11.705 -12.871 1.00 1.22 C ATOM 384 O GLY A 28 -4.720 -11.603 -12.373 1.00 74.44 O ATOM 0 H GLY A 28 -1.492 -10.769 -14.182 1.00 33.14 H new ATOM 0 HA2 GLY A 28 -1.761 -11.585 -11.783 1.00 1.32 H new ATOM 0 HA3 GLY A 28 -2.803 -10.190 -11.587 1.00 1.32 H new ATOM 388 N TRP A 29 -3.335 -12.495 -13.905 1.00 51.42 N ATOM 389 CA TRP A 29 -4.373 -13.307 -14.531 1.00 4.05 C ATOM 390 C TRP A 29 -4.364 -14.726 -13.972 1.00 45.31 C ATOM 391 O TRP A 29 -5.349 -15.456 -14.089 1.00 44.11 O ATOM 392 CB TRP A 29 -4.177 -13.341 -16.047 1.00 73.42 C ATOM 393 CG TRP A 29 -3.056 -14.235 -16.482 1.00 24.45 C ATOM 394 CD1 TRP A 29 -1.733 -13.906 -16.574 1.00 15.23 C ATOM 395 CD2 TRP A 29 -3.159 -15.605 -16.884 1.00 65.44 C ATOM 396 NE1 TRP A 29 -1.008 -14.988 -17.010 1.00 33.44 N ATOM 397 CE2 TRP A 29 -1.859 -16.044 -17.207 1.00 11.35 C ATOM 398 CE3 TRP A 29 -4.221 -16.505 -17.002 1.00 72.23 C ATOM 399 CZ2 TRP A 29 -1.597 -17.341 -17.639 1.00 53.13 C ATOM 400 CZ3 TRP A 29 -3.960 -17.792 -17.432 1.00 62.13 C ATOM 401 CH2 TRP A 29 -2.657 -18.201 -17.746 1.00 4.42 C ATOM 0 H TRP A 29 -2.412 -12.591 -14.328 1.00 51.42 H new ATOM 0 HA TRP A 29 -5.339 -12.854 -14.307 1.00 4.05 H new ATOM 0 HB2 TRP A 29 -5.102 -13.675 -16.518 1.00 73.42 H new ATOM 0 HB3 TRP A 29 -3.984 -12.329 -16.404 1.00 73.42 H new ATOM 0 HD1 TRP A 29 -1.318 -12.937 -16.338 1.00 15.23 H new ATOM 0 HE1 TRP A 29 0.000 -15.003 -17.162 1.00 33.44 H new ATOM 0 HE3 TRP A 29 -5.229 -16.200 -16.761 1.00 72.23 H new ATOM 0 HZ2 TRP A 29 -0.593 -17.658 -17.881 1.00 53.13 H new ATOM 0 HZ3 TRP A 29 -4.774 -18.495 -17.528 1.00 62.13 H new ATOM 0 HH2 TRP A 29 -2.486 -19.214 -18.079 1.00 4.42 H new ATOM 412 N LEU A 30 -3.247 -15.111 -13.365 1.00 5.41 N ATOM 413 CA LEU A 30 -3.110 -16.443 -12.787 1.00 62.34 C ATOM 414 C LEU A 30 -3.223 -16.392 -11.267 1.00 73.42 C ATOM 415 O LEU A 30 -3.096 -17.412 -10.589 1.00 65.41 O ATOM 416 CB LEU A 30 -1.769 -17.060 -13.190 1.00 0.12 C ATOM 417 CG LEU A 30 -1.663 -18.580 -13.060 1.00 11.33 C ATOM 418 CD1 LEU A 30 -2.637 -19.266 -14.005 1.00 13.42 C ATOM 419 CD2 LEU A 30 -0.239 -19.040 -13.333 1.00 24.44 C ATOM 0 H LEU A 30 -2.423 -14.519 -13.260 1.00 5.41 H new ATOM 0 HA LEU A 30 -3.919 -17.064 -13.172 1.00 62.34 H new ATOM 0 HB2 LEU A 30 -1.564 -16.789 -14.226 1.00 0.12 H new ATOM 0 HB3 LEU A 30 -0.986 -16.608 -12.581 1.00 0.12 H new ATOM 0 HG LEU A 30 -1.924 -18.857 -12.039 1.00 11.33 H new ATOM 0 HD11 LEU A 30 -2.547 -20.347 -13.898 1.00 13.42 H new ATOM 0 HD12 LEU A 30 -3.655 -18.961 -13.763 1.00 13.42 H new ATOM 0 HD13 LEU A 30 -2.408 -18.983 -15.032 1.00 13.42 H new ATOM 0 HD21 LEU A 30 -0.182 -20.124 -13.236 1.00 24.44 H new ATOM 0 HD22 LEU A 30 0.050 -18.750 -14.343 1.00 24.44 H new ATOM 0 HD23 LEU A 30 0.437 -18.576 -12.615 1.00 24.44 H new ATOM 431 N THR A 31 -3.466 -15.198 -10.737 1.00 13.24 N ATOM 432 CA THR A 31 -3.598 -15.013 -9.297 1.00 74.40 C ATOM 433 C THR A 31 -5.053 -15.139 -8.858 1.00 2.32 C ATOM 434 O THR A 31 -5.338 -15.403 -7.690 1.00 3.44 O ATOM 435 CB THR A 31 -3.057 -13.641 -8.854 1.00 63.13 C ATOM 436 OG1 THR A 31 -3.206 -13.489 -7.438 1.00 63.23 O ATOM 437 CG2 THR A 31 -3.787 -12.515 -9.570 1.00 2.40 C ATOM 0 H THR A 31 -3.576 -14.344 -11.284 1.00 13.24 H new ATOM 0 HA THR A 31 -3.008 -15.797 -8.822 1.00 74.40 H new ATOM 0 HB THR A 31 -2.000 -13.591 -9.115 1.00 63.13 H new ATOM 0 HG1 THR A 31 -2.858 -12.615 -7.164 1.00 63.23 H new ATOM 0 HG21 THR A 31 -3.388 -11.556 -9.241 1.00 2.40 H new ATOM 0 HG22 THR A 31 -3.647 -12.617 -10.646 1.00 2.40 H new ATOM 0 HG23 THR A 31 -4.851 -12.565 -9.337 1.00 2.40 H new ATOM 445 N ARG A 32 -5.969 -14.948 -9.801 1.00 74.31 N ATOM 446 CA ARG A 32 -7.395 -15.040 -9.510 1.00 51.35 C ATOM 447 C ARG A 32 -8.046 -16.153 -10.326 1.00 21.10 C ATOM 448 O ARG A 32 -9.051 -16.733 -9.914 1.00 33.14 O ATOM 449 CB ARG A 32 -8.084 -13.706 -9.807 1.00 32.42 C ATOM 450 CG ARG A 32 -7.474 -12.528 -9.066 1.00 41.44 C ATOM 451 CD ARG A 32 -8.281 -12.169 -7.829 1.00 10.05 C ATOM 452 NE ARG A 32 -8.982 -10.897 -7.982 1.00 31.02 N ATOM 453 CZ ARG A 32 -9.725 -10.348 -7.027 1.00 41.44 C ATOM 454 NH1 ARG A 32 -9.862 -10.955 -5.857 1.00 71.40 N ATOM 455 NH2 ARG A 32 -10.332 -9.187 -7.242 1.00 62.45 N ATOM 0 H ARG A 32 -5.750 -14.729 -10.773 1.00 74.31 H new ATOM 0 HA ARG A 32 -7.510 -15.274 -8.452 1.00 51.35 H new ATOM 0 HB2 ARG A 32 -8.038 -13.514 -10.879 1.00 32.42 H new ATOM 0 HB3 ARG A 32 -9.138 -13.784 -9.542 1.00 32.42 H new ATOM 0 HG2 ARG A 32 -6.451 -12.769 -8.777 1.00 41.44 H new ATOM 0 HG3 ARG A 32 -7.423 -11.666 -9.731 1.00 41.44 H new ATOM 0 HD2 ARG A 32 -9.004 -12.959 -7.626 1.00 10.05 H new ATOM 0 HD3 ARG A 32 -7.617 -12.115 -6.966 1.00 10.05 H new ATOM 0 HE ARG A 32 -8.897 -10.403 -8.870 1.00 31.02 H new ATOM 0 HH11 ARG A 32 -9.396 -11.846 -5.687 1.00 71.40 H new ATOM 0 HH12 ARG A 32 -10.433 -10.531 -5.126 1.00 71.40 H new ATOM 0 HH21 ARG A 32 -10.228 -8.716 -8.141 1.00 62.45 H new ATOM 0 HH22 ARG A 32 -10.902 -8.766 -6.508 1.00 62.45 H new ATOM 469 N LEU A 33 -7.467 -16.446 -11.485 1.00 23.41 N ATOM 470 CA LEU A 33 -7.990 -17.490 -12.359 1.00 71.24 C ATOM 471 C LEU A 33 -8.196 -18.792 -11.591 1.00 52.40 C ATOM 472 O LEU A 33 -9.280 -19.376 -11.617 1.00 54.43 O ATOM 473 CB LEU A 33 -7.039 -17.723 -13.534 1.00 65.41 C ATOM 474 CG LEU A 33 -7.190 -19.058 -14.266 1.00 4.43 C ATOM 475 CD1 LEU A 33 -8.596 -19.203 -14.826 1.00 1.11 C ATOM 476 CD2 LEU A 33 -6.156 -19.177 -15.376 1.00 51.12 C ATOM 0 H LEU A 33 -6.635 -15.975 -11.841 1.00 23.41 H new ATOM 0 HA LEU A 33 -8.956 -17.159 -12.741 1.00 71.24 H new ATOM 0 HB2 LEU A 33 -7.181 -16.918 -14.255 1.00 65.41 H new ATOM 0 HB3 LEU A 33 -6.015 -17.646 -13.168 1.00 65.41 H new ATOM 0 HG LEU A 33 -7.021 -19.864 -13.552 1.00 4.43 H new ATOM 0 HD11 LEU A 33 -8.685 -20.158 -15.343 1.00 1.11 H new ATOM 0 HD12 LEU A 33 -9.318 -19.163 -14.011 1.00 1.11 H new ATOM 0 HD13 LEU A 33 -8.794 -18.392 -15.526 1.00 1.11 H new ATOM 0 HD21 LEU A 33 -6.278 -20.133 -15.886 1.00 51.12 H new ATOM 0 HD22 LEU A 33 -6.293 -18.365 -16.090 1.00 51.12 H new ATOM 0 HD23 LEU A 33 -5.155 -19.119 -14.949 1.00 51.12 H new ATOM 488 N LEU A 34 -7.150 -19.240 -10.906 1.00 12.22 N ATOM 489 CA LEU A 34 -7.217 -20.472 -10.127 1.00 45.31 C ATOM 490 C LEU A 34 -8.301 -20.382 -9.058 1.00 22.30 C ATOM 491 O LEU A 34 -9.097 -21.305 -8.890 1.00 71.42 O ATOM 492 CB LEU A 34 -5.863 -20.759 -9.474 1.00 73.25 C ATOM 493 CG LEU A 34 -4.769 -21.288 -10.403 1.00 33.13 C ATOM 494 CD1 LEU A 34 -5.270 -22.492 -11.186 1.00 4.12 C ATOM 495 CD2 LEU A 34 -4.297 -20.193 -11.348 1.00 62.32 C ATOM 0 H LEU A 34 -6.246 -18.769 -10.874 1.00 12.22 H new ATOM 0 HA LEU A 34 -7.468 -21.288 -10.804 1.00 45.31 H new ATOM 0 HB2 LEU A 34 -5.504 -19.841 -9.009 1.00 73.25 H new ATOM 0 HB3 LEU A 34 -6.014 -21.484 -8.674 1.00 73.25 H new ATOM 0 HG LEU A 34 -3.922 -21.604 -9.794 1.00 33.13 H new ATOM 0 HD11 LEU A 34 -4.478 -22.855 -11.842 1.00 4.12 H new ATOM 0 HD12 LEU A 34 -5.558 -23.283 -10.493 1.00 4.12 H new ATOM 0 HD13 LEU A 34 -6.133 -22.203 -11.785 1.00 4.12 H new ATOM 0 HD21 LEU A 34 -3.519 -20.587 -12.002 1.00 62.32 H new ATOM 0 HD22 LEU A 34 -5.136 -19.846 -11.951 1.00 62.32 H new ATOM 0 HD23 LEU A 34 -3.897 -19.360 -10.769 1.00 62.32 H new ATOM 507 N GLN A 35 -8.326 -19.264 -8.340 1.00 24.23 N ATOM 508 CA GLN A 35 -9.314 -19.054 -7.288 1.00 64.30 C ATOM 509 C GLN A 35 -10.729 -19.239 -7.826 1.00 3.41 C ATOM 510 O GLN A 35 -11.616 -19.717 -7.119 1.00 33.02 O ATOM 511 CB GLN A 35 -9.161 -17.655 -6.688 1.00 74.51 C ATOM 512 CG GLN A 35 -7.919 -17.495 -5.827 1.00 41.42 C ATOM 513 CD GLN A 35 -7.749 -16.081 -5.307 1.00 4.04 C ATOM 514 OE1 GLN A 35 -7.741 -15.120 -6.077 1.00 22.22 O ATOM 515 NE2 GLN A 35 -7.611 -15.946 -3.993 1.00 32.22 N ATOM 0 H GLN A 35 -7.674 -18.490 -8.467 1.00 24.23 H new ATOM 0 HA GLN A 35 -9.142 -19.796 -6.508 1.00 64.30 H new ATOM 0 HB2 GLN A 35 -9.130 -16.924 -7.496 1.00 74.51 H new ATOM 0 HB3 GLN A 35 -10.041 -17.428 -6.087 1.00 74.51 H new ATOM 0 HG2 GLN A 35 -7.974 -18.184 -4.984 1.00 41.42 H new ATOM 0 HG3 GLN A 35 -7.040 -17.773 -6.409 1.00 41.42 H new ATOM 0 HE21 GLN A 35 -7.624 -16.770 -3.392 1.00 32.22 H new ATOM 0 HE22 GLN A 35 -7.493 -15.019 -3.585 1.00 32.22 H new ATOM 524 N THR A 36 -10.934 -18.855 -9.082 1.00 63.54 N ATOM 525 CA THR A 36 -12.241 -18.977 -9.715 1.00 11.12 C ATOM 526 C THR A 36 -12.491 -20.403 -10.192 1.00 43.13 C ATOM 527 O THR A 36 -13.630 -20.792 -10.450 1.00 61.12 O ATOM 528 CB THR A 36 -12.378 -18.016 -10.911 1.00 11.22 C ATOM 529 OG1 THR A 36 -11.087 -17.540 -11.307 1.00 60.13 O ATOM 530 CG2 THR A 36 -13.272 -16.837 -10.558 1.00 12.32 C ATOM 0 H THR A 36 -10.211 -18.457 -9.681 1.00 63.54 H new ATOM 0 HA THR A 36 -12.983 -18.714 -8.961 1.00 11.12 H new ATOM 0 HB THR A 36 -12.833 -18.562 -11.737 1.00 11.22 H new ATOM 0 HG1 THR A 36 -10.574 -18.276 -11.702 1.00 60.13 H new ATOM 0 HG21 THR A 36 -13.354 -16.172 -11.418 1.00 12.32 H new ATOM 0 HG22 THR A 36 -14.263 -17.201 -10.285 1.00 12.32 H new ATOM 0 HG23 THR A 36 -12.841 -16.292 -9.718 1.00 12.32 H new ATOM 538 N LYS A 37 -11.419 -21.179 -10.308 1.00 24.33 N ATOM 539 CA LYS A 37 -11.521 -22.564 -10.752 1.00 65.14 C ATOM 540 C LYS A 37 -11.285 -23.527 -9.593 1.00 14.33 C ATOM 541 O LYS A 37 -11.079 -24.722 -9.798 1.00 41.12 O ATOM 542 CB LYS A 37 -10.511 -22.838 -11.869 1.00 70.33 C ATOM 543 CG LYS A 37 -10.696 -21.950 -13.087 1.00 65.05 C ATOM 544 CD LYS A 37 -12.114 -22.030 -13.626 1.00 70.03 C ATOM 545 CE LYS A 37 -12.169 -21.678 -15.105 1.00 33.10 C ATOM 546 NZ LYS A 37 -12.870 -22.725 -15.899 1.00 21.54 N ATOM 0 H LYS A 37 -10.469 -20.872 -10.100 1.00 24.33 H new ATOM 0 HA LYS A 37 -12.530 -22.723 -11.134 1.00 65.14 H new ATOM 0 HB2 LYS A 37 -9.503 -22.699 -11.478 1.00 70.33 H new ATOM 0 HB3 LYS A 37 -10.594 -23.881 -12.174 1.00 70.33 H new ATOM 0 HG2 LYS A 37 -10.463 -20.918 -12.824 1.00 65.05 H new ATOM 0 HG3 LYS A 37 -9.993 -22.247 -13.865 1.00 65.05 H new ATOM 0 HD2 LYS A 37 -12.505 -23.036 -13.476 1.00 70.03 H new ATOM 0 HD3 LYS A 37 -12.756 -21.351 -13.065 1.00 70.03 H new ATOM 0 HE2 LYS A 37 -12.679 -20.723 -15.232 1.00 33.10 H new ATOM 0 HE3 LYS A 37 -11.156 -21.551 -15.486 1.00 33.10 H new ATOM 0 HZ1 LYS A 37 -13.202 -22.317 -16.796 1.00 21.54 H new ATOM 0 HZ2 LYS A 37 -12.215 -23.508 -16.096 1.00 21.54 H new ATOM 0 HZ3 LYS A 37 -13.684 -23.083 -15.360 1.00 21.54 H new ATOM 560 N ASN A 38 -11.320 -22.997 -8.374 1.00 22.40 N ATOM 561 CA ASN A 38 -11.111 -23.811 -7.181 1.00 52.44 C ATOM 562 C ASN A 38 -9.723 -24.444 -7.191 1.00 12.24 C ATOM 563 O ASN A 38 -9.562 -25.617 -6.854 1.00 34.10 O ATOM 564 CB ASN A 38 -12.181 -24.901 -7.089 1.00 3.23 C ATOM 565 CG ASN A 38 -12.360 -25.417 -5.674 1.00 5.52 C ATOM 566 OD1 ASN A 38 -12.016 -26.559 -5.370 1.00 34.13 O ATOM 567 ND2 ASN A 38 -12.899 -24.574 -4.801 1.00 14.10 N ATOM 0 H ASN A 38 -11.491 -22.009 -8.186 1.00 22.40 H new ATOM 0 HA ASN A 38 -11.188 -23.161 -6.309 1.00 52.44 H new ATOM 0 HB2 ASN A 38 -13.130 -24.506 -7.452 1.00 3.23 H new ATOM 0 HB3 ASN A 38 -11.909 -25.729 -7.743 1.00 3.23 H new ATOM 0 HD21 ASN A 38 -13.043 -24.864 -3.834 1.00 14.10 H new ATOM 0 HD22 ASN A 38 -13.169 -23.636 -5.098 1.00 14.10 H new ATOM 574 N TYR A 39 -8.724 -23.659 -7.578 1.00 2.05 N ATOM 575 CA TYR A 39 -7.349 -24.143 -7.632 1.00 54.35 C ATOM 576 C TYR A 39 -7.249 -25.402 -8.488 1.00 42.11 C ATOM 577 O TYR A 39 -6.828 -26.457 -8.013 1.00 42.21 O ATOM 578 CB TYR A 39 -6.830 -24.428 -6.222 1.00 73.22 C ATOM 579 CG TYR A 39 -7.227 -23.380 -5.207 1.00 74.31 C ATOM 580 CD1 TYR A 39 -6.894 -22.044 -5.393 1.00 32.15 C ATOM 581 CD2 TYR A 39 -7.935 -23.726 -4.063 1.00 22.25 C ATOM 582 CE1 TYR A 39 -7.254 -21.083 -4.468 1.00 33.25 C ATOM 583 CE2 TYR A 39 -8.300 -22.772 -3.133 1.00 53.10 C ATOM 584 CZ TYR A 39 -7.958 -21.452 -3.340 1.00 4.02 C ATOM 585 OH TYR A 39 -8.319 -20.499 -2.416 1.00 4.45 O ATOM 0 H TYR A 39 -8.840 -22.685 -7.859 1.00 2.05 H new ATOM 0 HA TYR A 39 -6.734 -23.366 -8.087 1.00 54.35 H new ATOM 0 HB2 TYR A 39 -7.204 -25.398 -5.895 1.00 73.22 H new ATOM 0 HB3 TYR A 39 -5.743 -24.499 -6.252 1.00 73.22 H new ATOM 0 HD1 TYR A 39 -6.344 -21.752 -6.276 1.00 32.15 H new ATOM 0 HD2 TYR A 39 -8.205 -24.759 -3.898 1.00 22.25 H new ATOM 0 HE1 TYR A 39 -6.986 -20.049 -4.627 1.00 33.25 H new ATOM 0 HE2 TYR A 39 -8.850 -23.058 -2.249 1.00 53.10 H new ATOM 0 HH TYR A 39 -8.810 -20.924 -1.682 1.00 4.45 H new ATOM 595 N ASP A 40 -7.638 -25.282 -9.753 1.00 22.34 N ATOM 596 CA ASP A 40 -7.591 -26.409 -10.677 1.00 25.21 C ATOM 597 C ASP A 40 -6.527 -26.189 -11.748 1.00 24.41 C ATOM 598 O ASP A 40 -6.231 -25.053 -12.119 1.00 0.03 O ATOM 599 CB ASP A 40 -8.957 -26.616 -11.333 1.00 23.34 C ATOM 600 CG ASP A 40 -9.706 -27.798 -10.748 1.00 52.54 C ATOM 601 OD1 ASP A 40 -9.293 -28.948 -11.004 1.00 25.25 O ATOM 602 OD2 ASP A 40 -10.706 -27.571 -10.035 1.00 61.53 O ATOM 0 H ASP A 40 -7.989 -24.416 -10.162 1.00 22.34 H new ATOM 0 HA ASP A 40 -7.331 -27.302 -10.109 1.00 25.21 H new ATOM 0 HB2 ASP A 40 -9.556 -25.713 -11.211 1.00 23.34 H new ATOM 0 HB3 ASP A 40 -8.823 -26.768 -12.404 1.00 23.34 H new ATOM 607 N ILE A 41 -5.955 -27.283 -12.240 1.00 23.23 N ATOM 608 CA ILE A 41 -4.924 -27.209 -13.268 1.00 21.33 C ATOM 609 C ILE A 41 -5.502 -27.503 -14.648 1.00 10.31 C ATOM 610 O ILE A 41 -5.058 -26.944 -15.650 1.00 64.41 O ATOM 611 CB ILE A 41 -3.775 -28.195 -12.985 1.00 21.13 C ATOM 612 CG1 ILE A 41 -3.464 -28.233 -11.487 1.00 45.11 C ATOM 613 CG2 ILE A 41 -2.537 -27.807 -13.779 1.00 63.41 C ATOM 614 CD1 ILE A 41 -3.085 -26.885 -10.914 1.00 53.14 C ATOM 0 H ILE A 41 -6.188 -28.231 -11.943 1.00 23.23 H new ATOM 0 HA ILE A 41 -4.532 -26.192 -13.249 1.00 21.33 H new ATOM 0 HB ILE A 41 -4.086 -29.192 -13.298 1.00 21.13 H new ATOM 0 HG12 ILE A 41 -4.335 -28.614 -10.953 1.00 45.11 H new ATOM 0 HG13 ILE A 41 -2.649 -28.936 -11.311 1.00 45.11 H new ATOM 0 HG21 ILE A 41 -1.734 -28.513 -13.568 1.00 63.41 H new ATOM 0 HG22 ILE A 41 -2.767 -27.826 -14.844 1.00 63.41 H new ATOM 0 HG23 ILE A 41 -2.222 -26.803 -13.494 1.00 63.41 H new ATOM 0 HD11 ILE A 41 -2.878 -26.988 -9.849 1.00 53.14 H new ATOM 0 HD12 ILE A 41 -2.196 -26.511 -11.422 1.00 53.14 H new ATOM 0 HD13 ILE A 41 -3.907 -26.184 -11.058 1.00 53.14 H new ATOM 626 N GLY A 42 -6.498 -28.382 -14.692 1.00 32.33 N ATOM 627 CA GLY A 42 -7.123 -28.734 -15.954 1.00 3.53 C ATOM 628 C GLY A 42 -8.165 -27.721 -16.386 1.00 61.44 C ATOM 629 O GLY A 42 -8.546 -27.674 -17.556 1.00 30.15 O ATOM 0 H GLY A 42 -6.884 -28.857 -13.876 1.00 32.33 H new ATOM 0 HA2 GLY A 42 -6.357 -28.815 -16.725 1.00 3.53 H new ATOM 0 HA3 GLY A 42 -7.589 -29.715 -15.864 1.00 3.53 H new ATOM 633 N ALA A 43 -8.628 -26.910 -15.441 1.00 32.41 N ATOM 634 CA ALA A 43 -9.632 -25.894 -15.731 1.00 34.43 C ATOM 635 C ALA A 43 -8.979 -24.565 -16.093 1.00 14.21 C ATOM 636 O ALA A 43 -9.536 -23.777 -16.856 1.00 53.35 O ATOM 637 CB ALA A 43 -10.565 -25.720 -14.541 1.00 51.24 C ATOM 0 H ALA A 43 -8.324 -26.937 -14.468 1.00 32.41 H new ATOM 0 HA ALA A 43 -10.215 -26.228 -16.590 1.00 34.43 H new ATOM 0 HB1 ALA A 43 -11.310 -24.958 -14.771 1.00 51.24 H new ATOM 0 HB2 ALA A 43 -11.066 -26.665 -14.330 1.00 51.24 H new ATOM 0 HB3 ALA A 43 -9.989 -25.412 -13.669 1.00 51.24 H new ATOM 643 N ALA A 44 -7.796 -24.322 -15.539 1.00 42.14 N ATOM 644 CA ALA A 44 -7.067 -23.088 -15.806 1.00 22.14 C ATOM 645 C ALA A 44 -6.269 -23.191 -17.101 1.00 4.41 C ATOM 646 O ALA A 44 -5.823 -22.182 -17.649 1.00 42.40 O ATOM 647 CB ALA A 44 -6.146 -22.758 -14.641 1.00 4.45 C ATOM 0 H ALA A 44 -7.322 -24.963 -14.903 1.00 42.14 H new ATOM 0 HA ALA A 44 -7.793 -22.283 -15.921 1.00 22.14 H new ATOM 0 HB1 ALA A 44 -5.608 -21.834 -14.853 1.00 4.45 H new ATOM 0 HB2 ALA A 44 -6.737 -22.633 -13.734 1.00 4.45 H new ATOM 0 HB3 ALA A 44 -5.432 -23.570 -14.500 1.00 4.45 H new ATOM 653 N LEU A 45 -6.091 -24.415 -17.585 1.00 41.34 N ATOM 654 CA LEU A 45 -5.345 -24.649 -18.817 1.00 72.21 C ATOM 655 C LEU A 45 -6.178 -24.273 -20.038 1.00 75.31 C ATOM 656 O LEU A 45 -5.642 -24.055 -21.125 1.00 13.13 O ATOM 657 CB LEU A 45 -4.920 -26.116 -18.908 1.00 2.34 C ATOM 658 CG LEU A 45 -3.598 -26.474 -18.228 1.00 21.40 C ATOM 659 CD1 LEU A 45 -3.456 -27.983 -18.098 1.00 54.02 C ATOM 660 CD2 LEU A 45 -2.425 -25.891 -19.002 1.00 63.54 C ATOM 0 H LEU A 45 -6.453 -25.261 -17.144 1.00 41.34 H new ATOM 0 HA LEU A 45 -4.455 -24.019 -18.799 1.00 72.21 H new ATOM 0 HB2 LEU A 45 -5.708 -26.730 -18.472 1.00 2.34 H new ATOM 0 HB3 LEU A 45 -4.850 -26.389 -19.961 1.00 2.34 H new ATOM 0 HG LEU A 45 -3.598 -26.042 -17.227 1.00 21.40 H new ATOM 0 HD11 LEU A 45 -2.509 -28.219 -17.612 1.00 54.02 H new ATOM 0 HD12 LEU A 45 -4.279 -28.376 -17.500 1.00 54.02 H new ATOM 0 HD13 LEU A 45 -3.478 -28.437 -19.089 1.00 54.02 H new ATOM 0 HD21 LEU A 45 -1.493 -26.156 -18.504 1.00 63.54 H new ATOM 0 HD22 LEU A 45 -2.422 -26.293 -20.015 1.00 63.54 H new ATOM 0 HD23 LEU A 45 -2.519 -24.806 -19.043 1.00 63.54 H new ATOM 672 N ASP A 46 -7.491 -24.198 -19.851 1.00 55.42 N ATOM 673 CA ASP A 46 -8.399 -23.845 -20.937 1.00 12.54 C ATOM 674 C ASP A 46 -9.005 -22.463 -20.710 1.00 53.04 C ATOM 675 O ASP A 46 -10.072 -22.146 -21.238 1.00 61.44 O ATOM 676 CB ASP A 46 -9.510 -24.888 -21.061 1.00 32.42 C ATOM 677 CG ASP A 46 -9.650 -25.419 -22.474 1.00 35.10 C ATOM 678 OD1 ASP A 46 -10.178 -24.684 -23.335 1.00 15.14 O ATOM 679 OD2 ASP A 46 -9.231 -26.569 -22.720 1.00 34.45 O ATOM 0 H ASP A 46 -7.951 -24.377 -18.958 1.00 55.42 H new ATOM 0 HA ASP A 46 -7.826 -23.824 -21.864 1.00 12.54 H new ATOM 0 HB2 ASP A 46 -9.304 -25.716 -20.383 1.00 32.42 H new ATOM 0 HB3 ASP A 46 -10.456 -24.447 -20.746 1.00 32.42 H new ATOM 684 N THR A 47 -8.319 -21.643 -19.921 1.00 4.04 N ATOM 685 CA THR A 47 -8.790 -20.297 -19.622 1.00 43.53 C ATOM 686 C THR A 47 -7.888 -19.245 -20.258 1.00 4.10 C ATOM 687 O THR A 47 -7.940 -18.069 -19.897 1.00 4.12 O ATOM 688 CB THR A 47 -8.857 -20.048 -18.104 1.00 30.54 C ATOM 689 OG1 THR A 47 -9.359 -21.213 -17.439 1.00 22.33 O ATOM 690 CG2 THR A 47 -9.747 -18.856 -17.789 1.00 13.20 C ATOM 0 H THR A 47 -7.434 -21.888 -19.477 1.00 4.04 H new ATOM 0 HA THR A 47 -9.793 -20.214 -20.040 1.00 43.53 H new ATOM 0 HB THR A 47 -7.849 -19.832 -17.749 1.00 30.54 H new ATOM 0 HG1 THR A 47 -10.336 -21.238 -17.516 1.00 22.33 H new ATOM 0 HG21 THR A 47 -9.778 -18.700 -16.711 1.00 13.20 H new ATOM 0 HG22 THR A 47 -9.347 -17.965 -18.273 1.00 13.20 H new ATOM 0 HG23 THR A 47 -10.755 -19.047 -18.157 1.00 13.20 H new ATOM 698 N ILE A 48 -7.062 -19.675 -21.206 1.00 30.30 N ATOM 699 CA ILE A 48 -6.150 -18.769 -21.893 1.00 22.42 C ATOM 700 C ILE A 48 -6.430 -18.739 -23.392 1.00 23.45 C ATOM 701 O ILE A 48 -6.227 -17.720 -24.050 1.00 12.52 O ATOM 702 CB ILE A 48 -4.680 -19.170 -21.664 1.00 54.03 C ATOM 703 CG1 ILE A 48 -4.530 -19.901 -20.329 1.00 31.13 C ATOM 704 CG2 ILE A 48 -3.784 -17.941 -21.706 1.00 21.53 C ATOM 705 CD1 ILE A 48 -4.714 -21.399 -20.436 1.00 2.34 C ATOM 0 H ILE A 48 -7.006 -20.645 -21.516 1.00 30.30 H new ATOM 0 HA ILE A 48 -6.317 -17.776 -21.475 1.00 22.42 H new ATOM 0 HB ILE A 48 -4.374 -19.846 -22.462 1.00 54.03 H new ATOM 0 HG12 ILE A 48 -3.542 -19.693 -19.919 1.00 31.13 H new ATOM 0 HG13 ILE A 48 -5.258 -19.503 -19.622 1.00 31.13 H new ATOM 0 HG21 ILE A 48 -2.749 -18.240 -21.543 1.00 21.53 H new ATOM 0 HG22 ILE A 48 -3.873 -17.459 -22.679 1.00 21.53 H new ATOM 0 HG23 ILE A 48 -4.087 -17.243 -20.926 1.00 21.53 H new ATOM 0 HD11 ILE A 48 -4.594 -21.852 -19.452 1.00 2.34 H new ATOM 0 HD12 ILE A 48 -5.712 -21.617 -20.816 1.00 2.34 H new ATOM 0 HD13 ILE A 48 -3.969 -21.809 -21.117 1.00 2.34 H new ATOM 717 N GLN A 49 -6.898 -19.864 -23.923 1.00 41.02 N ATOM 718 CA GLN A 49 -7.207 -19.966 -25.345 1.00 2.35 C ATOM 719 C GLN A 49 -8.104 -18.816 -25.790 1.00 54.11 C ATOM 720 O GLN A 49 -7.877 -18.207 -26.835 1.00 45.45 O ATOM 721 CB GLN A 49 -7.884 -21.304 -25.646 1.00 51.43 C ATOM 722 CG GLN A 49 -7.116 -22.506 -25.123 1.00 64.30 C ATOM 723 CD GLN A 49 -5.680 -22.538 -25.610 1.00 32.44 C ATOM 724 OE1 GLN A 49 -4.750 -22.259 -24.853 1.00 42.41 O ATOM 725 NE2 GLN A 49 -5.493 -22.881 -26.879 1.00 4.03 N ATOM 0 H GLN A 49 -7.071 -20.717 -23.391 1.00 41.02 H new ATOM 0 HA GLN A 49 -6.271 -19.908 -25.901 1.00 2.35 H new ATOM 0 HB2 GLN A 49 -8.882 -21.303 -25.209 1.00 51.43 H new ATOM 0 HB3 GLN A 49 -8.009 -21.404 -26.724 1.00 51.43 H new ATOM 0 HG2 GLN A 49 -7.126 -22.493 -24.033 1.00 64.30 H new ATOM 0 HG3 GLN A 49 -7.622 -23.420 -25.435 1.00 64.30 H new ATOM 0 HE21 GLN A 49 -6.294 -23.104 -27.470 1.00 4.03 H new ATOM 0 HE22 GLN A 49 -4.549 -22.921 -27.263 1.00 4.03 H new ATOM 734 N TYR A 50 -9.125 -18.525 -24.991 1.00 61.02 N ATOM 735 CA TYR A 50 -10.059 -17.450 -25.305 1.00 23.02 C ATOM 736 C TYR A 50 -10.928 -17.114 -24.097 1.00 74.31 C ATOM 737 O TYR A 50 -11.419 -18.006 -23.405 1.00 14.35 O ATOM 738 CB TYR A 50 -10.942 -17.843 -26.490 1.00 71.10 C ATOM 739 CG TYR A 50 -11.948 -18.924 -26.163 1.00 63.04 C ATOM 740 CD1 TYR A 50 -13.200 -18.605 -25.653 1.00 42.50 C ATOM 741 CD2 TYR A 50 -11.646 -20.265 -26.366 1.00 62.15 C ATOM 742 CE1 TYR A 50 -14.121 -19.589 -25.353 1.00 11.04 C ATOM 743 CE2 TYR A 50 -12.562 -21.256 -26.070 1.00 65.23 C ATOM 744 CZ TYR A 50 -13.797 -20.913 -25.563 1.00 75.21 C ATOM 745 OH TYR A 50 -14.713 -21.897 -25.266 1.00 51.35 O ATOM 0 H TYR A 50 -9.327 -19.018 -24.121 1.00 61.02 H new ATOM 0 HA TYR A 50 -9.480 -16.565 -25.570 1.00 23.02 H new ATOM 0 HB2 TYR A 50 -11.473 -16.960 -26.846 1.00 71.10 H new ATOM 0 HB3 TYR A 50 -10.307 -18.184 -27.308 1.00 71.10 H new ATOM 0 HD1 TYR A 50 -13.458 -17.569 -25.488 1.00 42.50 H new ATOM 0 HD2 TYR A 50 -10.679 -20.537 -26.762 1.00 62.15 H new ATOM 0 HE1 TYR A 50 -15.090 -19.323 -24.956 1.00 11.04 H new ATOM 0 HE2 TYR A 50 -12.312 -22.294 -26.235 1.00 65.23 H new ATOM 0 HH TYR A 50 -14.329 -22.775 -25.473 1.00 51.35 H new