USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 311 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 44 THR OG1 : rot 180:sc= 1.25 USER MOD Set 1.2: A 47 ASN : amide:sc= 1.08 K(o=2.3,f=1.4) USER MOD Set 1.3: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 41:sc= 0.0504 USER MOD Single : A 20 MET CE :methyl -177:sc= -0.0869 (180deg=-0.0951) USER MOD Single : A 34 SER OG : rot 170:sc= -0.494 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.92 (180deg=0.878) USER MOD Single : A 40 HIS : no HD1:sc= -0.0933 K(o=-0.093,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 3.048 -18.998 25.597 1.00-10.00 N ATOM 64 CA SER A 6 2.918 -20.440 25.803 1.00-10.00 C ATOM 65 C SER A 6 1.847 -20.744 26.850 1.00-10.00 C ATOM 66 O SER A 6 2.104 -20.684 28.054 1.00-10.00 O ATOM 67 CB SER A 6 4.260 -21.043 26.231 1.00-10.00 C ATOM 68 OG SER A 6 4.256 -22.452 26.081 1.00-10.00 O ATOM 0 HA SER A 6 2.615 -20.891 24.858 1.00-10.00 H new ATOM 0 HB2 SER A 6 5.063 -20.613 25.633 1.00-10.00 H new ATOM 0 HB3 SER A 6 4.463 -20.785 27.270 1.00-10.00 H new ATOM 0 HG SER A 6 5.124 -22.813 26.359 1.00-10.00 H new ATOM 74 N LYS A 7 0.642 -21.065 26.380 1.00-10.00 N ATOM 75 CA LYS A 7 -0.475 -21.375 27.270 1.00-10.00 C ATOM 76 C LYS A 7 -0.988 -22.796 27.032 1.00-10.00 C ATOM 77 O LYS A 7 -1.550 -23.095 25.977 1.00-10.00 O ATOM 78 CB LYS A 7 -1.609 -20.365 27.067 1.00-10.00 C ATOM 79 CG LYS A 7 -1.519 -19.154 27.985 1.00-10.00 C ATOM 80 CD LYS A 7 -1.239 -17.878 27.205 1.00-10.00 C ATOM 81 CE LYS A 7 -1.896 -16.670 27.856 1.00-10.00 C ATOM 82 NZ LYS A 7 -1.156 -15.408 27.566 1.00-10.00 N ATOM 0 H LYS A 7 0.415 -21.117 25.387 1.00-10.00 H new ATOM 0 HA LYS A 7 -0.118 -21.309 28.298 1.00-10.00 H new ATOM 0 HB2 LYS A 7 -1.601 -20.026 26.031 1.00-10.00 H new ATOM 0 HB3 LYS A 7 -2.563 -20.865 27.232 1.00-10.00 H new ATOM 0 HG2 LYS A 7 -2.452 -19.046 28.538 1.00-10.00 H new ATOM 0 HG3 LYS A 7 -0.730 -19.312 28.720 1.00-10.00 H new ATOM 0 HD2 LYS A 7 -0.163 -17.718 27.142 1.00-10.00 H new ATOM 0 HD3 LYS A 7 -1.606 -17.987 26.184 1.00-10.00 H new ATOM 0 HE2 LYS A 7 -2.922 -16.579 27.499 1.00-10.00 H new ATOM 0 HE3 LYS A 7 -1.946 -16.822 28.934 1.00-10.00 H new ATOM 0 HZ1 LYS A 7 -1.637 -14.610 28.028 1.00-10.00 H new ATOM 0 HZ2 LYS A 7 -0.184 -15.484 27.929 1.00-10.00 H new ATOM 0 HZ3 LYS A 7 -1.130 -15.249 26.539 1.00-10.00 H new ATOM 96 N SER A 8 -0.788 -23.666 28.023 1.00-10.00 N ATOM 97 CA SER A 8 -1.229 -25.058 27.928 1.00-10.00 C ATOM 98 C SER A 8 -1.721 -25.571 29.281 1.00-10.00 C ATOM 99 O SER A 8 -1.104 -25.309 30.316 1.00-10.00 O ATOM 100 CB SER A 8 -0.089 -25.942 27.418 1.00-10.00 C ATOM 101 OG SER A 8 -0.555 -27.243 27.103 1.00-10.00 O ATOM 0 H SER A 8 -0.324 -23.431 28.900 1.00-10.00 H new ATOM 0 HA SER A 8 -2.058 -25.101 27.222 1.00-10.00 H new ATOM 0 HB2 SER A 8 0.359 -25.489 26.534 1.00-10.00 H new ATOM 0 HB3 SER A 8 0.693 -26.006 28.175 1.00-10.00 H new ATOM 0 HG SER A 8 0.192 -27.788 26.778 1.00-10.00 H new ATOM 107 N SER A 9 -2.835 -26.303 29.264 1.00-10.00 N ATOM 108 CA SER A 9 -3.414 -26.855 30.489 1.00-10.00 C ATOM 109 C SER A 9 -4.134 -28.175 30.213 1.00-10.00 C ATOM 110 O SER A 9 -4.975 -28.257 29.316 1.00-10.00 O ATOM 111 CB SER A 9 -4.386 -25.851 31.120 1.00-10.00 C ATOM 112 OG SER A 9 -5.337 -25.389 30.174 1.00-10.00 O ATOM 0 H SER A 9 -3.355 -26.528 28.415 1.00-10.00 H new ATOM 0 HA SER A 9 -2.599 -27.049 31.186 1.00-10.00 H new ATOM 0 HB2 SER A 9 -4.902 -26.319 31.958 1.00-10.00 H new ATOM 0 HB3 SER A 9 -3.828 -25.005 31.521 1.00-10.00 H new ATOM 0 HG SER A 9 -5.640 -26.140 29.622 1.00-10.00 H new ATOM 118 N VAL A 10 -3.799 -29.203 30.994 1.00-10.00 N ATOM 119 CA VAL A 10 -4.413 -30.522 30.839 1.00-10.00 C ATOM 120 C VAL A 10 -4.962 -31.038 32.171 1.00-10.00 C ATOM 121 O VAL A 10 -4.401 -30.762 33.234 1.00-10.00 O ATOM 122 CB VAL A 10 -3.409 -31.547 30.262 1.00-10.00 C ATOM 123 CG1 VAL A 10 -2.281 -31.825 31.247 1.00-10.00 C ATOM 124 CG2 VAL A 10 -4.117 -32.838 29.876 1.00-10.00 C ATOM 0 H VAL A 10 -3.106 -29.147 31.740 1.00-10.00 H new ATOM 0 HA VAL A 10 -5.239 -30.407 30.137 1.00-10.00 H new ATOM 0 HB VAL A 10 -2.970 -31.115 29.363 1.00-10.00 H new ATOM 0 HG11 VAL A 10 -1.590 -32.549 30.815 1.00-10.00 H new ATOM 0 HG12 VAL A 10 -1.748 -30.898 31.461 1.00-10.00 H new ATOM 0 HG13 VAL A 10 -2.696 -32.227 32.171 1.00-10.00 H new ATOM 0 HG21 VAL A 10 -3.391 -33.544 29.473 1.00-10.00 H new ATOM 0 HG22 VAL A 10 -4.592 -33.270 30.757 1.00-10.00 H new ATOM 0 HG23 VAL A 10 -4.875 -32.626 29.122 1.00-10.00 H new ATOM 134 N VAL A 11 -6.063 -31.787 32.103 1.00-10.00 N ATOM 135 CA VAL A 11 -6.693 -32.344 33.300 1.00-10.00 C ATOM 136 C VAL A 11 -6.694 -33.872 33.262 1.00-10.00 C ATOM 137 O VAL A 11 -6.977 -34.476 32.225 1.00-10.00 O ATOM 138 CB VAL A 11 -8.145 -31.841 33.462 1.00-10.00 C ATOM 139 CG1 VAL A 11 -8.714 -32.261 34.809 1.00-10.00 C ATOM 140 CG2 VAL A 11 -8.213 -30.329 33.301 1.00-10.00 C ATOM 0 H VAL A 11 -6.537 -32.022 31.231 1.00-10.00 H new ATOM 0 HA VAL A 11 -6.104 -32.005 34.153 1.00-10.00 H new ATOM 0 HB VAL A 11 -8.750 -32.296 32.678 1.00-10.00 H new ATOM 0 HG11 VAL A 11 -9.737 -31.896 34.902 1.00-10.00 H new ATOM 0 HG12 VAL A 11 -8.708 -33.348 34.883 1.00-10.00 H new ATOM 0 HG13 VAL A 11 -8.105 -31.840 35.609 1.00-10.00 H new ATOM 0 HG21 VAL A 11 -9.244 -29.997 33.419 1.00-10.00 H new ATOM 0 HG22 VAL A 11 -7.590 -29.854 34.059 1.00-10.00 H new ATOM 0 HG23 VAL A 11 -7.854 -30.052 32.310 1.00-10.00 H new ATOM 150 N GLY A 12 -6.376 -34.489 34.400 1.00-10.00 N ATOM 151 CA GLY A 12 -6.344 -35.942 34.482 1.00-10.00 C ATOM 152 C GLY A 12 -6.585 -36.453 35.892 1.00-10.00 C ATOM 153 O GLY A 12 -5.751 -36.257 36.777 1.00-10.00 O ATOM 0 H GLY A 12 -6.140 -34.008 35.268 1.00-10.00 H new ATOM 0 HA2 GLY A 12 -7.100 -36.357 33.815 1.00-10.00 H new ATOM 0 HA3 GLY A 12 -5.377 -36.301 34.130 1.00-10.00 H new ATOM 157 N TRP A 13 -7.727 -37.107 36.100 1.00-10.00 N ATOM 158 CA TRP A 13 -8.078 -37.648 37.413 1.00-10.00 C ATOM 159 C TRP A 13 -8.858 -38.959 37.280 1.00-10.00 C ATOM 160 O TRP A 13 -9.609 -39.149 36.321 1.00-10.00 O ATOM 161 CB TRP A 13 -8.894 -36.624 38.213 1.00-10.00 C ATOM 162 CG TRP A 13 -10.168 -36.203 37.539 1.00-10.00 C ATOM 163 CD1 TRP A 13 -10.289 -35.391 36.449 1.00-10.00 C ATOM 164 CD2 TRP A 13 -11.500 -36.570 37.916 1.00-10.00 C ATOM 165 NE1 TRP A 13 -11.614 -35.232 36.123 1.00-10.00 N ATOM 166 CE2 TRP A 13 -12.377 -35.946 37.010 1.00-10.00 C ATOM 167 CE3 TRP A 13 -12.036 -37.368 38.932 1.00-10.00 C ATOM 168 CZ2 TRP A 13 -13.759 -36.095 37.089 1.00-10.00 C ATOM 169 CZ3 TRP A 13 -13.408 -37.514 39.010 1.00-10.00 C ATOM 170 CH2 TRP A 13 -14.256 -36.880 38.093 1.00-10.00 C ATOM 0 H TRP A 13 -8.425 -37.275 35.376 1.00-10.00 H new ATOM 0 HA TRP A 13 -7.152 -37.857 37.948 1.00-10.00 H new ATOM 0 HB2 TRP A 13 -9.133 -37.047 39.189 1.00-10.00 H new ATOM 0 HB3 TRP A 13 -8.279 -35.742 38.390 1.00-10.00 H new ATOM 0 HD1 TRP A 13 -9.463 -34.939 35.920 1.00-10.00 H new ATOM 0 HE1 TRP A 13 -11.972 -34.674 35.348 1.00-10.00 H new ATOM 0 HE3 TRP A 13 -11.389 -37.861 39.643 1.00-10.00 H new ATOM 0 HZ2 TRP A 13 -14.415 -35.608 36.383 1.00-10.00 H new ATOM 0 HZ3 TRP A 13 -13.833 -38.127 39.791 1.00-10.00 H new ATOM 0 HH2 TRP A 13 -15.324 -37.014 38.180 1.00-10.00 H new ATOM 181 N PRO A 14 -8.685 -39.886 38.245 1.00-10.00 N ATOM 182 CA PRO A 14 -9.370 -41.186 38.231 1.00-10.00 C ATOM 183 C PRO A 14 -10.853 -41.078 38.595 1.00-10.00 C ATOM 184 O PRO A 14 -11.223 -40.374 39.537 1.00-10.00 O ATOM 185 CB PRO A 14 -8.613 -41.990 39.289 1.00-10.00 C ATOM 186 CG PRO A 14 -8.099 -40.968 40.242 1.00-10.00 C ATOM 187 CD PRO A 14 -7.801 -39.742 39.420 1.00-10.00 C ATOM 0 HA PRO A 14 -9.362 -41.639 37.240 1.00-10.00 H new ATOM 0 HB2 PRO A 14 -9.268 -42.703 39.789 1.00-10.00 H new ATOM 0 HB3 PRO A 14 -7.799 -42.562 38.844 1.00-10.00 H new ATOM 0 HG2 PRO A 14 -8.837 -40.749 41.014 1.00-10.00 H new ATOM 0 HG3 PRO A 14 -7.202 -41.324 40.749 1.00-10.00 H new ATOM 0 HD2 PRO A 14 -8.015 -38.827 39.973 1.00-10.00 H new ATOM 0 HD3 PRO A 14 -6.751 -39.700 39.129 1.00-10.00 H new ATOM 195 N ALA A 15 -11.695 -41.786 37.841 1.00-10.00 N ATOM 196 CA ALA A 15 -13.138 -41.780 38.076 1.00-10.00 C ATOM 197 C ALA A 15 -13.798 -43.024 37.482 1.00-10.00 C ATOM 198 O ALA A 15 -13.614 -43.329 36.301 1.00-10.00 O ATOM 199 CB ALA A 15 -13.761 -40.519 37.492 1.00-10.00 C ATOM 0 H ALA A 15 -11.400 -42.372 37.060 1.00-10.00 H new ATOM 0 HA ALA A 15 -13.307 -41.792 39.153 1.00-10.00 H new ATOM 0 HB1 ALA A 15 -14.836 -40.527 37.674 1.00-10.00 H new ATOM 0 HB2 ALA A 15 -13.319 -39.642 37.965 1.00-10.00 H new ATOM 0 HB3 ALA A 15 -13.575 -40.485 36.419 1.00-10.00 H new ATOM 205 N VAL A 16 -14.565 -43.740 38.305 1.00-10.00 N ATOM 206 CA VAL A 16 -15.250 -44.952 37.855 1.00-10.00 C ATOM 207 C VAL A 16 -16.747 -44.918 38.190 1.00-10.00 C ATOM 208 O VAL A 16 -17.583 -45.051 37.295 1.00-10.00 O ATOM 209 CB VAL A 16 -14.602 -46.232 38.444 1.00-10.00 C ATOM 210 CG1 VAL A 16 -14.464 -46.145 39.959 1.00-10.00 C ATOM 211 CG2 VAL A 16 -15.393 -47.471 38.046 1.00-10.00 C ATOM 0 H VAL A 16 -14.727 -43.503 39.284 1.00-10.00 H new ATOM 0 HA VAL A 16 -15.143 -44.982 36.771 1.00-10.00 H new ATOM 0 HB VAL A 16 -13.599 -46.314 38.026 1.00-10.00 H new ATOM 0 HG11 VAL A 16 -14.006 -47.060 40.336 1.00-10.00 H new ATOM 0 HG12 VAL A 16 -13.837 -45.292 40.219 1.00-10.00 H new ATOM 0 HG13 VAL A 16 -15.450 -46.021 40.408 1.00-10.00 H new ATOM 0 HG21 VAL A 16 -14.920 -48.357 38.470 1.00-10.00 H new ATOM 0 HG22 VAL A 16 -16.412 -47.388 38.423 1.00-10.00 H new ATOM 0 HG23 VAL A 16 -15.414 -47.556 36.960 1.00-10.00 H new ATOM 221 N ARG A 17 -17.079 -44.738 39.474 1.00-10.00 N ATOM 222 CA ARG A 17 -18.478 -44.688 39.914 1.00-10.00 C ATOM 223 C ARG A 17 -18.579 -44.529 41.433 1.00-10.00 C ATOM 224 O ARG A 17 -17.693 -44.959 42.174 1.00-10.00 O ATOM 225 CB ARG A 17 -19.224 -45.956 39.479 1.00-10.00 C ATOM 226 CG ARG A 17 -20.305 -45.703 38.438 1.00-10.00 C ATOM 227 CD ARG A 17 -20.225 -46.703 37.294 1.00-10.00 C ATOM 228 NE ARG A 17 -21.005 -46.274 36.132 1.00-10.00 N ATOM 229 CZ ARG A 17 -20.581 -45.391 35.225 1.00-10.00 C ATOM 230 NH1 ARG A 17 -19.387 -44.822 35.341 1.00-10.00 N ATOM 231 NH2 ARG A 17 -21.358 -45.074 34.200 1.00-10.00 N ATOM 0 H ARG A 17 -16.399 -44.625 40.226 1.00-10.00 H new ATOM 0 HA ARG A 17 -18.939 -43.819 39.444 1.00-10.00 H new ATOM 0 HB2 ARG A 17 -18.505 -46.670 39.077 1.00-10.00 H new ATOM 0 HB3 ARG A 17 -19.677 -46.419 40.356 1.00-10.00 H new ATOM 0 HG2 ARG A 17 -21.286 -45.765 38.909 1.00-10.00 H new ATOM 0 HG3 ARG A 17 -20.203 -44.691 38.046 1.00-10.00 H new ATOM 0 HD2 ARG A 17 -19.183 -46.836 37.002 1.00-10.00 H new ATOM 0 HD3 ARG A 17 -20.587 -47.673 37.635 1.00-10.00 H new ATOM 0 HE ARG A 17 -21.934 -46.676 36.007 1.00-10.00 H new ATOM 0 HH11 ARG A 17 -18.784 -45.058 36.129 1.00-10.00 H new ATOM 0 HH12 ARG A 17 -19.073 -44.149 34.642 1.00-10.00 H new ATOM 0 HH21 ARG A 17 -22.278 -45.504 34.105 1.00-10.00 H new ATOM 0 HH22 ARG A 17 -21.036 -44.400 33.506 1.00-10.00 H new ATOM 245 N GLU A 18 -19.673 -43.914 41.887 1.00-10.00 N ATOM 246 CA GLU A 18 -19.907 -43.700 43.316 1.00-10.00 C ATOM 247 C GLU A 18 -21.403 -43.560 43.606 1.00-10.00 C ATOM 248 O GLU A 18 -22.121 -42.869 42.881 1.00-10.00 O ATOM 249 CB GLU A 18 -19.160 -42.453 43.801 1.00-10.00 C ATOM 250 CG GLU A 18 -18.482 -42.631 45.154 1.00-10.00 C ATOM 251 CD GLU A 18 -19.439 -43.093 46.239 1.00-10.00 C ATOM 252 OE1 GLU A 18 -20.252 -42.270 46.706 1.00-10.00 O ATOM 253 OE2 GLU A 18 -19.376 -44.281 46.617 1.00-10.00 O ATOM 0 H GLU A 18 -20.413 -43.555 41.283 1.00-10.00 H new ATOM 0 HA GLU A 18 -19.529 -44.569 43.854 1.00-10.00 H new ATOM 0 HB2 GLU A 18 -18.408 -42.181 43.061 1.00-10.00 H new ATOM 0 HB3 GLU A 18 -19.862 -41.621 43.863 1.00-10.00 H new ATOM 0 HG2 GLU A 18 -17.674 -43.356 45.057 1.00-10.00 H new ATOM 0 HG3 GLU A 18 -18.029 -41.686 45.455 1.00-10.00 H new ATOM 260 N ARG A 19 -21.866 -44.219 44.668 1.00-10.00 N ATOM 261 CA ARG A 19 -23.277 -44.166 45.051 1.00-10.00 C ATOM 262 C ARG A 19 -23.430 -43.881 46.546 1.00-10.00 C ATOM 263 O ARG A 19 -23.576 -44.800 47.355 1.00-10.00 O ATOM 264 CB ARG A 19 -24.002 -45.474 44.681 1.00-10.00 C ATOM 265 CG ARG A 19 -23.087 -46.684 44.512 1.00-10.00 C ATOM 266 CD ARG A 19 -22.945 -47.473 45.806 1.00-10.00 C ATOM 267 NE ARG A 19 -21.544 -47.784 46.104 1.00-10.00 N ATOM 268 CZ ARG A 19 -20.789 -47.121 46.983 1.00-10.00 C ATOM 269 NH1 ARG A 19 -21.291 -46.121 47.695 1.00-10.00 N ATOM 270 NH2 ARG A 19 -19.522 -47.467 47.153 1.00-10.00 N ATOM 0 H ARG A 19 -21.286 -44.795 45.278 1.00-10.00 H new ATOM 0 HA ARG A 19 -23.737 -43.349 44.495 1.00-10.00 H new ATOM 0 HB2 ARG A 19 -24.738 -45.697 45.454 1.00-10.00 H new ATOM 0 HB3 ARG A 19 -24.552 -45.319 43.753 1.00-10.00 H new ATOM 0 HG2 ARG A 19 -23.485 -47.334 43.732 1.00-10.00 H new ATOM 0 HG3 ARG A 19 -22.104 -46.352 44.179 1.00-10.00 H new ATOM 0 HD2 ARG A 19 -23.373 -46.901 46.629 1.00-10.00 H new ATOM 0 HD3 ARG A 19 -23.515 -48.399 45.731 1.00-10.00 H new ATOM 0 HE ARG A 19 -21.115 -48.563 45.604 1.00-10.00 H new ATOM 0 HH11 ARG A 19 -22.267 -45.849 47.575 1.00-10.00 H new ATOM 0 HH12 ARG A 19 -20.701 -45.624 48.363 1.00-10.00 H new ATOM 0 HH21 ARG A 19 -19.127 -48.237 46.613 1.00-10.00 H new ATOM 0 HH22 ARG A 19 -18.941 -46.963 47.823 1.00-10.00 H new ATOM 284 N MET A 20 -23.399 -42.598 46.906 1.00-10.00 N ATOM 285 CA MET A 20 -23.536 -42.187 48.303 1.00-10.00 C ATOM 286 C MET A 20 -24.975 -41.777 48.611 1.00-10.00 C ATOM 287 O MET A 20 -25.565 -40.966 47.895 1.00-10.00 O ATOM 288 CB MET A 20 -22.582 -41.029 48.614 1.00-10.00 C ATOM 289 CG MET A 20 -21.749 -41.246 49.867 1.00-10.00 C ATOM 290 SD MET A 20 -22.720 -41.107 51.381 1.00-10.00 S ATOM 291 CE MET A 20 -22.744 -42.812 51.929 1.00-10.00 C ATOM 0 H MET A 20 -23.280 -41.826 46.250 1.00-10.00 H new ATOM 0 HA MET A 20 -23.278 -43.038 48.933 1.00-10.00 H new ATOM 0 HB2 MET A 20 -21.914 -40.881 47.765 1.00-10.00 H new ATOM 0 HB3 MET A 20 -23.161 -40.113 48.727 1.00-10.00 H new ATOM 0 HG2 MET A 20 -21.288 -42.233 49.825 1.00-10.00 H new ATOM 0 HG3 MET A 20 -20.939 -40.516 49.891 1.00-10.00 H new ATOM 0 HE1 MET A 20 -23.354 -42.897 52.828 1.00-10.00 H new ATOM 0 HE2 MET A 20 -23.165 -43.440 51.144 1.00-10.00 H new ATOM 0 HE3 MET A 20 -21.727 -43.138 52.148 1.00-10.00 H new ATOM 301 N ARG A 21 -25.535 -42.344 49.680 1.00-10.00 N ATOM 302 CA ARG A 21 -26.907 -42.037 50.083 1.00-10.00 C ATOM 303 C ARG A 21 -27.083 -42.187 51.594 1.00-10.00 C ATOM 304 O ARG A 21 -26.824 -43.253 52.157 1.00-10.00 O ATOM 305 CB ARG A 21 -27.907 -42.933 49.336 1.00-10.00 C ATOM 306 CG ARG A 21 -27.625 -44.428 49.452 1.00-10.00 C ATOM 307 CD ARG A 21 -26.564 -44.895 48.461 1.00-10.00 C ATOM 308 NE ARG A 21 -26.671 -44.223 47.162 1.00-10.00 N ATOM 309 CZ ARG A 21 -27.546 -44.552 46.213 1.00-10.00 C ATOM 310 NH1 ARG A 21 -28.413 -45.539 46.406 1.00-10.00 N ATOM 311 NH2 ARG A 21 -27.556 -43.887 45.067 1.00-10.00 N ATOM 0 H ARG A 21 -25.060 -43.017 50.281 1.00-10.00 H new ATOM 0 HA ARG A 21 -27.108 -40.999 49.819 1.00-10.00 H new ATOM 0 HB2 ARG A 21 -28.909 -42.734 49.717 1.00-10.00 H new ATOM 0 HB3 ARG A 21 -27.906 -42.657 48.282 1.00-10.00 H new ATOM 0 HG2 ARG A 21 -27.297 -44.656 50.466 1.00-10.00 H new ATOM 0 HG3 ARG A 21 -28.547 -44.984 49.282 1.00-10.00 H new ATOM 0 HD2 ARG A 21 -25.575 -44.712 48.880 1.00-10.00 H new ATOM 0 HD3 ARG A 21 -26.655 -45.972 48.318 1.00-10.00 H new ATOM 0 HE ARG A 21 -26.032 -43.451 46.972 1.00-10.00 H new ATOM 0 HH11 ARG A 21 -28.413 -46.053 47.287 1.00-10.00 H new ATOM 0 HH12 ARG A 21 -29.079 -45.783 45.673 1.00-10.00 H new ATOM 0 HH21 ARG A 21 -26.895 -43.126 44.913 1.00-10.00 H new ATOM 0 HH22 ARG A 21 -28.225 -44.137 44.338 1.00-10.00 H new ATOM 325 N ARG A 22 -27.523 -41.108 52.242 1.00-10.00 N ATOM 326 CA ARG A 22 -27.735 -41.104 53.690 1.00-10.00 C ATOM 327 C ARG A 22 -28.868 -40.146 54.073 1.00-10.00 C ATOM 328 O ARG A 22 -29.558 -39.612 53.203 1.00-10.00 O ATOM 329 CB ARG A 22 -26.439 -40.712 54.412 1.00-10.00 C ATOM 330 CG ARG A 22 -26.029 -41.686 55.507 1.00-10.00 C ATOM 331 CD ARG A 22 -25.824 -43.089 54.958 1.00-10.00 C ATOM 332 NE ARG A 22 -24.800 -43.830 55.696 1.00-10.00 N ATOM 333 CZ ARG A 22 -24.225 -44.949 55.255 1.00-10.00 C ATOM 334 NH1 ARG A 22 -24.571 -45.469 54.084 1.00-10.00 N ATOM 335 NH2 ARG A 22 -23.303 -45.552 55.992 1.00-10.00 N ATOM 0 H ARG A 22 -27.740 -40.222 51.785 1.00-10.00 H new ATOM 0 HA ARG A 22 -28.021 -42.110 53.998 1.00-10.00 H new ATOM 0 HB2 ARG A 22 -25.634 -40.641 53.681 1.00-10.00 H new ATOM 0 HB3 ARG A 22 -26.562 -39.720 54.848 1.00-10.00 H new ATOM 0 HG2 ARG A 22 -25.108 -41.340 55.977 1.00-10.00 H new ATOM 0 HG3 ARG A 22 -26.795 -41.706 56.283 1.00-10.00 H new ATOM 0 HD2 ARG A 22 -26.766 -43.635 55.001 1.00-10.00 H new ATOM 0 HD3 ARG A 22 -25.539 -43.028 53.908 1.00-10.00 H new ATOM 0 HE ARG A 22 -24.508 -43.468 56.604 1.00-10.00 H new ATOM 0 HH11 ARG A 22 -25.282 -45.012 53.513 1.00-10.00 H new ATOM 0 HH12 ARG A 22 -24.126 -46.326 53.755 1.00-10.00 H new ATOM 0 HH21 ARG A 22 -23.035 -45.160 56.895 1.00-10.00 H new ATOM 0 HH22 ARG A 22 -22.862 -46.408 55.657 1.00-10.00 H new ATOM 349 N ALA A 23 -29.056 -39.941 55.381 1.00-10.00 N ATOM 350 CA ALA A 23 -30.106 -39.055 55.887 1.00-10.00 C ATOM 351 C ALA A 23 -31.495 -39.600 55.546 1.00-10.00 C ATOM 352 O ALA A 23 -32.324 -38.905 54.952 1.00-10.00 O ATOM 353 CB ALA A 23 -29.923 -37.642 55.341 1.00-10.00 C ATOM 0 H ALA A 23 -28.492 -40.379 56.109 1.00-10.00 H new ATOM 0 HA ALA A 23 -30.023 -39.014 56.973 1.00-10.00 H new ATOM 0 HB1 ALA A 23 -30.712 -36.997 55.728 1.00-10.00 H new ATOM 0 HB2 ALA A 23 -28.953 -37.254 55.652 1.00-10.00 H new ATOM 0 HB3 ALA A 23 -29.973 -37.663 54.252 1.00-10.00 H new ATOM 398 N ALA A 27 -38.831 -44.784 60.516 1.00-10.00 N ATOM 399 CA ALA A 27 -40.228 -44.894 60.926 1.00-10.00 C ATOM 400 C ALA A 27 -40.348 -45.509 62.320 1.00-10.00 C ATOM 401 O ALA A 27 -39.810 -46.587 62.581 1.00-10.00 O ATOM 402 CB ALA A 27 -41.013 -45.716 59.913 1.00-10.00 C ATOM 0 HA ALA A 27 -40.648 -43.889 60.965 1.00-10.00 H new ATOM 0 HB1 ALA A 27 -42.053 -45.790 60.232 1.00-10.00 H new ATOM 0 HB2 ALA A 27 -40.966 -45.232 58.937 1.00-10.00 H new ATOM 0 HB3 ALA A 27 -40.583 -46.715 59.844 1.00-10.00 H new ATOM 408 N ASP A 28 -41.057 -44.815 63.209 1.00-10.00 N ATOM 409 CA ASP A 28 -41.253 -45.285 64.579 1.00-10.00 C ATOM 410 C ASP A 28 -42.632 -45.928 64.753 1.00-10.00 C ATOM 411 O ASP A 28 -43.464 -45.896 63.843 1.00-10.00 O ATOM 412 CB ASP A 28 -41.085 -44.123 65.564 1.00-10.00 C ATOM 413 CG ASP A 28 -40.239 -44.497 66.765 1.00-10.00 C ATOM 414 OD1 ASP A 28 -40.718 -45.290 67.604 1.00-10.00 O ATOM 415 OD2 ASP A 28 -39.099 -43.998 66.867 1.00-10.00 O ATOM 0 H ASP A 28 -41.506 -43.923 63.004 1.00-10.00 H new ATOM 0 HA ASP A 28 -40.498 -46.043 64.787 1.00-10.00 H new ATOM 0 HB2 ASP A 28 -40.626 -43.278 65.050 1.00-10.00 H new ATOM 0 HB3 ASP A 28 -42.067 -43.794 65.904 1.00-10.00 H new ATOM 420 N GLY A 29 -42.866 -46.510 65.931 1.00-10.00 N ATOM 421 CA GLY A 29 -44.141 -47.152 66.212 1.00-10.00 C ATOM 422 C GLY A 29 -44.068 -48.664 66.114 1.00-10.00 C ATOM 423 O GLY A 29 -43.720 -49.336 67.086 1.00-10.00 O ATOM 0 H GLY A 29 -42.193 -46.547 66.696 1.00-10.00 H new ATOM 0 HA2 GLY A 29 -44.472 -46.872 67.212 1.00-10.00 H new ATOM 0 HA3 GLY A 29 -44.891 -46.782 65.513 1.00-10.00 H new ATOM 427 N VAL A 30 -44.399 -49.199 64.939 1.00-10.00 N ATOM 428 CA VAL A 30 -44.372 -50.645 64.715 1.00-10.00 C ATOM 429 C VAL A 30 -43.892 -50.979 63.302 1.00-10.00 C ATOM 430 O VAL A 30 -44.612 -50.767 62.323 1.00-10.00 O ATOM 431 CB VAL A 30 -45.760 -51.288 64.946 1.00-10.00 C ATOM 432 CG1 VAL A 30 -45.997 -51.533 66.428 1.00-10.00 C ATOM 433 CG2 VAL A 30 -46.869 -50.421 64.361 1.00-10.00 C ATOM 0 H VAL A 30 -44.689 -48.653 64.127 1.00-10.00 H new ATOM 0 HA VAL A 30 -43.670 -51.058 65.440 1.00-10.00 H new ATOM 0 HB VAL A 30 -45.776 -52.248 64.431 1.00-10.00 H new ATOM 0 HG11 VAL A 30 -46.978 -51.986 66.570 1.00-10.00 H new ATOM 0 HG12 VAL A 30 -45.229 -52.204 66.813 1.00-10.00 H new ATOM 0 HG13 VAL A 30 -45.954 -50.585 66.965 1.00-10.00 H new ATOM 0 HG21 VAL A 30 -47.834 -50.896 64.537 1.00-10.00 H new ATOM 0 HG22 VAL A 30 -46.855 -49.441 64.838 1.00-10.00 H new ATOM 0 HG23 VAL A 30 -46.713 -50.305 63.289 1.00-10.00 H new ATOM 443 N GLY A 31 -42.670 -51.501 63.206 1.00-10.00 N ATOM 444 CA GLY A 31 -42.106 -51.860 61.913 1.00-10.00 C ATOM 445 C GLY A 31 -41.493 -53.248 61.909 1.00-10.00 C ATOM 446 O GLY A 31 -40.307 -53.406 61.616 1.00-10.00 O ATOM 0 H GLY A 31 -42.059 -51.682 64.002 1.00-10.00 H new ATOM 0 HA2 GLY A 31 -42.886 -51.809 61.154 1.00-10.00 H new ATOM 0 HA3 GLY A 31 -41.345 -51.130 61.637 1.00-10.00 H new ATOM 450 N ALA A 32 -42.303 -54.256 62.235 1.00-10.00 N ATOM 451 CA ALA A 32 -41.837 -55.641 62.270 1.00-10.00 C ATOM 452 C ALA A 32 -42.964 -56.617 61.931 1.00-10.00 C ATOM 453 O ALA A 32 -44.130 -56.368 62.246 1.00-10.00 O ATOM 454 CB ALA A 32 -41.249 -55.963 63.637 1.00-10.00 C ATOM 0 H ALA A 32 -43.286 -54.138 62.479 1.00-10.00 H new ATOM 0 HA ALA A 32 -41.060 -55.754 61.514 1.00-10.00 H new ATOM 0 HB1 ALA A 32 -40.905 -56.997 63.651 1.00-10.00 H new ATOM 0 HB2 ALA A 32 -40.408 -55.299 63.837 1.00-10.00 H new ATOM 0 HB3 ALA A 32 -42.012 -55.824 64.403 1.00-10.00 H new ATOM 460 N ALA A 33 -42.606 -57.729 61.289 1.00-10.00 N ATOM 461 CA ALA A 33 -43.583 -58.747 60.906 1.00-10.00 C ATOM 462 C ALA A 33 -44.096 -59.510 62.126 1.00-10.00 C ATOM 463 O ALA A 33 -43.321 -59.880 63.011 1.00-10.00 O ATOM 464 CB ALA A 33 -42.974 -59.710 59.895 1.00-10.00 C ATOM 0 H ALA A 33 -41.646 -57.947 61.023 1.00-10.00 H new ATOM 0 HA ALA A 33 -44.432 -58.242 60.446 1.00-10.00 H new ATOM 0 HB1 ALA A 33 -43.713 -60.463 59.619 1.00-10.00 H new ATOM 0 HB2 ALA A 33 -42.668 -59.159 59.006 1.00-10.00 H new ATOM 0 HB3 ALA A 33 -42.105 -60.199 60.336 1.00-10.00 H new ATOM 470 N SER A 34 -45.409 -59.741 62.164 1.00-10.00 N ATOM 471 CA SER A 34 -46.037 -60.462 63.273 1.00-10.00 C ATOM 472 C SER A 34 -45.676 -61.951 63.238 1.00-10.00 C ATOM 473 O SER A 34 -46.486 -62.790 62.838 1.00-10.00 O ATOM 474 CB SER A 34 -47.560 -60.279 63.234 1.00-10.00 C ATOM 475 OG SER A 34 -48.028 -59.650 64.415 1.00-10.00 O ATOM 0 H SER A 34 -46.059 -59.439 61.439 1.00-10.00 H new ATOM 0 HA SER A 34 -45.657 -60.045 64.206 1.00-10.00 H new ATOM 0 HB2 SER A 34 -47.836 -59.680 62.366 1.00-10.00 H new ATOM 0 HB3 SER A 34 -48.043 -61.249 63.119 1.00-10.00 H new ATOM 0 HG SER A 34 -48.968 -59.399 64.301 1.00-10.00 H new ATOM 481 N ARG A 35 -44.451 -62.269 63.658 1.00-10.00 N ATOM 482 CA ARG A 35 -43.974 -63.651 63.676 1.00-10.00 C ATOM 483 C ARG A 35 -44.649 -64.448 64.793 1.00-10.00 C ATOM 484 O ARG A 35 -45.288 -65.469 64.537 1.00-10.00 O ATOM 485 CB ARG A 35 -42.450 -63.685 63.850 1.00-10.00 C ATOM 486 CG ARG A 35 -41.777 -64.883 63.190 1.00-10.00 C ATOM 487 CD ARG A 35 -42.364 -66.205 63.666 1.00-10.00 C ATOM 488 NE ARG A 35 -42.314 -66.347 65.125 1.00-10.00 N ATOM 489 CZ ARG A 35 -42.753 -67.418 65.786 1.00-10.00 C ATOM 490 NH1 ARG A 35 -43.286 -68.441 65.131 1.00-10.00 N ATOM 491 NH2 ARG A 35 -42.669 -67.458 67.108 1.00-10.00 N ATOM 0 H ARG A 35 -43.770 -61.586 63.991 1.00-10.00 H new ATOM 0 HA ARG A 35 -44.233 -64.112 62.723 1.00-10.00 H new ATOM 0 HB2 ARG A 35 -42.027 -62.770 63.436 1.00-10.00 H new ATOM 0 HB3 ARG A 35 -42.216 -63.691 64.915 1.00-10.00 H new ATOM 0 HG2 ARG A 35 -41.885 -64.808 62.108 1.00-10.00 H new ATOM 0 HG3 ARG A 35 -40.709 -64.863 63.406 1.00-10.00 H new ATOM 0 HD2 ARG A 35 -43.399 -66.281 63.332 1.00-10.00 H new ATOM 0 HD3 ARG A 35 -41.819 -67.028 63.205 1.00-10.00 H new ATOM 0 HE ARG A 35 -41.919 -65.579 65.667 1.00-10.00 H new ATOM 0 HH11 ARG A 35 -43.362 -68.412 64.114 1.00-10.00 H new ATOM 0 HH12 ARG A 35 -43.620 -69.257 65.644 1.00-10.00 H new ATOM 0 HH21 ARG A 35 -42.269 -66.670 67.618 1.00-10.00 H new ATOM 0 HH22 ARG A 35 -43.004 -68.277 67.616 1.00-10.00 H new ATOM 505 N ASP A 36 -44.505 -63.972 66.030 1.00-10.00 N ATOM 506 CA ASP A 36 -45.102 -64.639 67.186 1.00-10.00 C ATOM 507 C ASP A 36 -46.623 -64.722 67.052 1.00-10.00 C ATOM 508 O ASP A 36 -47.229 -65.715 67.456 1.00-10.00 O ATOM 509 CB ASP A 36 -44.717 -63.916 68.481 1.00-10.00 C ATOM 510 CG ASP A 36 -43.633 -64.649 69.249 1.00-10.00 C ATOM 511 OD1 ASP A 36 -42.601 -65.000 68.636 1.00-10.00 O ATOM 512 OD2 ASP A 36 -43.817 -64.876 70.463 1.00-10.00 O ATOM 0 H ASP A 36 -43.980 -63.127 66.257 1.00-10.00 H new ATOM 0 HA ASP A 36 -44.712 -65.656 67.225 1.00-10.00 H new ATOM 0 HB2 ASP A 36 -44.374 -62.909 68.244 1.00-10.00 H new ATOM 0 HB3 ASP A 36 -45.599 -63.812 69.112 1.00-10.00 H new ATOM 517 N LEU A 37 -47.233 -63.683 66.470 1.00-10.00 N ATOM 518 CA LEU A 37 -48.684 -63.653 66.270 1.00-10.00 C ATOM 519 C LEU A 37 -49.168 -64.939 65.594 1.00-10.00 C ATOM 520 O LEU A 37 -50.235 -65.456 65.922 1.00-10.00 O ATOM 521 CB LEU A 37 -49.083 -62.435 65.427 1.00-10.00 C ATOM 522 CG LEU A 37 -50.262 -61.620 65.967 1.00-10.00 C ATOM 523 CD1 LEU A 37 -51.518 -62.475 66.046 1.00-10.00 C ATOM 524 CD2 LEU A 37 -49.929 -61.031 67.330 1.00-10.00 C ATOM 0 H LEU A 37 -46.745 -62.854 66.130 1.00-10.00 H new ATOM 0 HA LEU A 37 -49.158 -63.577 67.248 1.00-10.00 H new ATOM 0 HB2 LEU A 37 -48.219 -61.777 65.338 1.00-10.00 H new ATOM 0 HB3 LEU A 37 -49.329 -62.775 64.421 1.00-10.00 H new ATOM 0 HG LEU A 37 -50.451 -60.799 65.276 1.00-10.00 H new ATOM 0 HD11 LEU A 37 -52.342 -61.876 66.432 1.00-10.00 H new ATOM 0 HD12 LEU A 37 -51.771 -62.842 65.052 1.00-10.00 H new ATOM 0 HD13 LEU A 37 -51.341 -63.320 66.711 1.00-10.00 H new ATOM 0 HD21 LEU A 37 -50.780 -60.456 67.696 1.00-10.00 H new ATOM 0 HD22 LEU A 37 -49.708 -61.836 68.030 1.00-10.00 H new ATOM 0 HD23 LEU A 37 -49.061 -60.378 67.242 1.00-10.00 H new ATOM 536 N GLU A 38 -48.366 -65.454 64.659 1.00-10.00 N ATOM 537 CA GLU A 38 -48.697 -66.686 63.945 1.00-10.00 C ATOM 538 C GLU A 38 -48.674 -67.883 64.901 1.00-10.00 C ATOM 539 O GLU A 38 -49.601 -68.694 64.915 1.00-10.00 O ATOM 540 CB GLU A 38 -47.716 -66.895 62.777 1.00-10.00 C ATOM 541 CG GLU A 38 -47.335 -68.349 62.510 1.00-10.00 C ATOM 542 CD GLU A 38 -45.994 -68.730 63.116 1.00-10.00 C ATOM 543 OE1 GLU A 38 -44.979 -68.087 62.770 1.00-10.00 O ATOM 544 OE2 GLU A 38 -45.958 -69.673 63.934 1.00-10.00 O ATOM 0 H GLU A 38 -47.480 -65.034 64.379 1.00-10.00 H new ATOM 0 HA GLU A 38 -49.705 -66.601 63.539 1.00-10.00 H new ATOM 0 HB2 GLU A 38 -48.158 -66.478 61.872 1.00-10.00 H new ATOM 0 HB3 GLU A 38 -46.807 -66.328 62.979 1.00-10.00 H new ATOM 0 HG2 GLU A 38 -48.109 -69.002 62.913 1.00-10.00 H new ATOM 0 HG3 GLU A 38 -47.303 -68.519 61.434 1.00-10.00 H new ATOM 551 N LYS A 39 -47.608 -67.983 65.696 1.00-10.00 N ATOM 552 CA LYS A 39 -47.455 -69.078 66.656 1.00-10.00 C ATOM 553 C LYS A 39 -48.493 -68.993 67.776 1.00-10.00 C ATOM 554 O LYS A 39 -49.089 -70.003 68.156 1.00-10.00 O ATOM 555 CB LYS A 39 -46.044 -69.064 67.250 1.00-10.00 C ATOM 556 CG LYS A 39 -45.718 -70.295 68.082 1.00-10.00 C ATOM 557 CD LYS A 39 -45.748 -69.987 69.573 1.00-10.00 C ATOM 558 CE LYS A 39 -46.491 -71.061 70.353 1.00-10.00 C ATOM 559 NZ LYS A 39 -47.912 -70.687 70.601 1.00-10.00 N ATOM 0 H LYS A 39 -46.835 -67.317 65.694 1.00-10.00 H new ATOM 0 HA LYS A 39 -47.614 -70.014 66.121 1.00-10.00 H new ATOM 0 HB2 LYS A 39 -45.319 -68.982 66.440 1.00-10.00 H new ATOM 0 HB3 LYS A 39 -45.930 -68.176 67.871 1.00-10.00 H new ATOM 0 HG2 LYS A 39 -46.434 -71.086 67.859 1.00-10.00 H new ATOM 0 HG3 LYS A 39 -44.732 -70.670 67.807 1.00-10.00 H new ATOM 0 HD2 LYS A 39 -44.728 -69.904 69.948 1.00-10.00 H new ATOM 0 HD3 LYS A 39 -46.227 -69.022 69.736 1.00-10.00 H new ATOM 0 HE2 LYS A 39 -46.454 -72.001 69.802 1.00-10.00 H new ATOM 0 HE3 LYS A 39 -45.989 -71.230 71.306 1.00-10.00 H new ATOM 0 HZ1 LYS A 39 -48.359 -71.405 71.207 1.00-10.00 H new ATOM 0 HZ2 LYS A 39 -47.950 -69.762 71.075 1.00-10.00 H new ATOM 0 HZ3 LYS A 39 -48.420 -70.633 69.695 1.00-10.00 H new ATOM 573 N HIS A 40 -48.698 -67.789 68.310 1.00-10.00 N ATOM 574 CA HIS A 40 -49.658 -67.578 69.394 1.00-10.00 C ATOM 575 C HIS A 40 -51.100 -67.675 68.891 1.00-10.00 C ATOM 576 O HIS A 40 -51.962 -68.232 69.571 1.00-10.00 O ATOM 577 CB HIS A 40 -49.425 -66.215 70.053 1.00-10.00 C ATOM 578 CG HIS A 40 -48.170 -66.149 70.870 1.00-10.00 C ATOM 579 ND1 HIS A 40 -48.157 -66.258 72.244 1.00-10.00 N ATOM 580 CD2 HIS A 40 -46.879 -65.983 70.497 1.00-10.00 C ATOM 581 CE1 HIS A 40 -46.913 -66.159 72.681 1.00-10.00 C ATOM 582 NE2 HIS A 40 -46.118 -65.992 71.640 1.00-10.00 N ATOM 0 H HIS A 40 -48.212 -66.944 68.009 1.00-10.00 H new ATOM 0 HA HIS A 40 -49.503 -68.365 70.132 1.00-10.00 H new ATOM 0 HB2 HIS A 40 -49.385 -65.449 69.279 1.00-10.00 H new ATOM 0 HB3 HIS A 40 -50.277 -65.979 70.691 1.00-10.00 H new ATOM 0 HD2 HIS A 40 -46.515 -65.865 69.487 1.00-10.00 H new ATOM 0 HE1 HIS A 40 -46.600 -66.207 73.714 1.00-10.00 H new ATOM 0 HE2 HIS A 40 -45.104 -65.887 71.679 1.00-10.00 H new ATOM 591 N GLY A 41 -51.355 -67.127 67.703 1.00-10.00 N ATOM 592 CA GLY A 41 -52.694 -67.157 67.132 1.00-10.00 C ATOM 593 C GLY A 41 -53.110 -68.536 66.645 1.00-10.00 C ATOM 594 O GLY A 41 -54.278 -68.909 66.766 1.00-10.00 O ATOM 0 H GLY A 41 -50.656 -66.661 67.124 1.00-10.00 H new ATOM 0 HA2 GLY A 41 -53.408 -66.813 67.880 1.00-10.00 H new ATOM 0 HA3 GLY A 41 -52.742 -66.456 66.299 1.00-10.00 H new ATOM 598 N ALA A 42 -52.163 -69.294 66.088 1.00-10.00 N ATOM 599 CA ALA A 42 -52.455 -70.634 65.575 1.00-10.00 C ATOM 600 C ALA A 42 -52.121 -71.730 66.596 1.00-10.00 C ATOM 601 O ALA A 42 -51.611 -72.793 66.231 1.00-10.00 O ATOM 602 CB ALA A 42 -51.700 -70.868 64.273 1.00-10.00 C ATOM 0 H ALA A 42 -51.191 -69.004 65.981 1.00-10.00 H new ATOM 0 HA ALA A 42 -53.527 -70.690 65.386 1.00-10.00 H new ATOM 0 HB1 ALA A 42 -51.922 -71.867 63.898 1.00-10.00 H new ATOM 0 HB2 ALA A 42 -52.008 -70.127 63.536 1.00-10.00 H new ATOM 0 HB3 ALA A 42 -50.629 -70.778 64.452 1.00-10.00 H new ATOM 608 N ILE A 43 -52.419 -71.475 67.872 1.00-10.00 N ATOM 609 CA ILE A 43 -52.155 -72.453 68.930 1.00-10.00 C ATOM 610 C ILE A 43 -53.427 -72.812 69.710 1.00-10.00 C ATOM 611 O ILE A 43 -53.618 -73.967 70.093 1.00-10.00 O ATOM 612 CB ILE A 43 -51.059 -71.958 69.906 1.00-10.00 C ATOM 613 CG1 ILE A 43 -50.386 -73.149 70.593 1.00-10.00 C ATOM 614 CG2 ILE A 43 -51.626 -70.995 70.942 1.00-10.00 C ATOM 615 CD1 ILE A 43 -49.251 -73.748 69.790 1.00 0.00 C ATOM 0 H ILE A 43 -52.841 -70.605 68.197 1.00-10.00 H new ATOM 0 HA ILE A 43 -51.795 -73.353 68.433 1.00-10.00 H new ATOM 0 HB ILE A 43 -50.313 -71.415 69.325 1.00-10.00 H new ATOM 0 HG12 ILE A 43 -50.005 -72.831 71.563 1.00-10.00 H new ATOM 0 HG13 ILE A 43 -51.134 -73.920 70.781 1.00-10.00 H new ATOM 0 HG21 ILE A 43 -50.829 -70.668 71.610 1.00-10.00 H new ATOM 0 HG22 ILE A 43 -52.055 -70.129 70.438 1.00-10.00 H new ATOM 0 HG23 ILE A 43 -52.401 -71.498 71.521 1.00-10.00 H new ATOM 0 HD11 ILE A 43 -48.821 -74.587 70.337 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -49.630 -74.097 68.829 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -48.484 -72.992 69.624 1.00 0.00 H new ATOM 627 N THR A 44 -54.290 -71.820 69.944 1.00-10.00 N ATOM 628 CA THR A 44 -55.537 -72.036 70.679 1.00-10.00 C ATOM 629 C THR A 44 -56.752 -71.618 69.850 1.00-10.00 C ATOM 630 O THR A 44 -56.619 -70.909 68.851 1.00-10.00 O ATOM 631 CB THR A 44 -55.547 -71.261 72.015 1.00-10.00 C ATOM 632 OG1 THR A 44 -54.991 -69.952 71.831 1.00-10.00 O ATOM 633 CG2 THR A 44 -54.754 -72.005 73.079 1.00-10.00 C ATOM 0 H THR A 44 -54.147 -70.859 69.634 1.00-10.00 H new ATOM 0 HA THR A 44 -55.596 -73.104 70.887 1.00-10.00 H new ATOM 0 HB THR A 44 -56.581 -71.173 72.347 1.00-10.00 H new ATOM 0 HG1 THR A 44 -55.007 -69.467 72.682 1.00-10.00 H new ATOM 0 HG21 THR A 44 -54.776 -71.440 74.011 1.00-10.00 H new ATOM 0 HG22 THR A 44 -55.196 -72.988 73.241 1.00-10.00 H new ATOM 0 HG23 THR A 44 -53.722 -72.121 72.749 1.00-10.00 H new ATOM 641 N SER A 45 -57.937 -72.060 70.274 1.00-10.00 N ATOM 642 CA SER A 45 -59.179 -71.731 69.575 1.00-10.00 C ATOM 643 C SER A 45 -60.016 -70.743 70.387 1.00-10.00 C ATOM 644 O SER A 45 -60.437 -69.707 69.871 1.00-10.00 O ATOM 645 CB SER A 45 -59.987 -73.004 69.294 1.00-10.00 C ATOM 646 OG SER A 45 -61.245 -72.697 68.713 1.00-10.00 O ATOM 0 H SER A 45 -58.062 -72.647 71.099 1.00-10.00 H new ATOM 0 HA SER A 45 -58.920 -71.262 68.626 1.00-10.00 H new ATOM 0 HB2 SER A 45 -59.424 -73.655 68.625 1.00-10.00 H new ATOM 0 HB3 SER A 45 -60.137 -73.555 70.223 1.00-10.00 H new ATOM 0 HG SER A 45 -61.738 -73.527 68.543 1.00-10.00 H new ATOM 652 N SER A 46 -60.247 -71.066 71.660 1.00-10.00 N ATOM 653 CA SER A 46 -61.027 -70.203 72.544 1.00-10.00 C ATOM 654 C SER A 46 -60.156 -69.660 73.677 1.00-10.00 C ATOM 655 O SER A 46 -60.050 -70.271 74.742 1.00-10.00 O ATOM 656 CB SER A 46 -62.226 -70.967 73.116 1.00-10.00 C ATOM 657 OG SER A 46 -63.306 -70.091 73.388 1.00-10.00 O ATOM 0 H SER A 46 -59.904 -71.920 72.101 1.00-10.00 H new ATOM 0 HA SER A 46 -61.396 -69.360 71.959 1.00-10.00 H new ATOM 0 HB2 SER A 46 -62.544 -71.733 72.409 1.00-10.00 H new ATOM 0 HB3 SER A 46 -61.931 -71.481 74.031 1.00-10.00 H new ATOM 0 HG SER A 46 -64.059 -70.603 73.750 1.00-10.00 H new ATOM 663 N ASN A 47 -59.529 -68.509 73.434 1.00-10.00 N ATOM 664 CA ASN A 47 -58.662 -67.881 74.429 1.00-10.00 C ATOM 665 C ASN A 47 -59.375 -66.721 75.124 1.00-10.00 C ATOM 666 O ASN A 47 -59.873 -65.804 74.467 1.00-10.00 O ATOM 667 CB ASN A 47 -57.369 -67.386 73.771 1.00-10.00 C ATOM 668 CG ASN A 47 -56.133 -67.779 74.557 1.00-10.00 C ATOM 669 OD1 ASN A 47 -55.417 -68.707 74.183 1.00-10.00 O ATOM 670 ND2 ASN A 47 -55.877 -67.077 75.655 1.00-10.00 N ATOM 0 H ASN A 47 -59.606 -67.993 72.557 1.00-10.00 H new ATOM 0 HA ASN A 47 -58.414 -68.630 75.181 1.00-10.00 H new ATOM 0 HB2 ASN A 47 -57.299 -67.793 72.762 1.00-10.00 H new ATOM 0 HB3 ASN A 47 -57.406 -66.301 73.675 1.00-10.00 H new ATOM 0 HD21 ASN A 47 -55.060 -67.300 76.224 1.00-10.00 H new ATOM 0 HD22 ASN A 47 -56.497 -66.315 75.929 1.00-10.00 H new ATOM 677 N THR A 48 -59.416 -66.771 76.457 1.00-10.00 N ATOM 678 CA THR A 48 -60.065 -65.729 77.257 1.00-10.00 C ATOM 679 C THR A 48 -61.545 -65.586 76.887 1.00-10.00 C ATOM 680 O THR A 48 -62.012 -64.497 76.546 1.00-10.00 O ATOM 681 CB THR A 48 -59.357 -64.364 77.094 1.00-10.00 C ATOM 682 OG1 THR A 48 -57.937 -64.549 77.027 1.00-10.00 O ATOM 683 CG2 THR A 48 -59.692 -63.436 78.253 1.00-10.00 C ATOM 0 H THR A 48 -59.006 -67.525 77.008 1.00-10.00 H new ATOM 0 HA THR A 48 -59.989 -66.038 78.299 1.00-10.00 H new ATOM 0 HB THR A 48 -59.710 -63.910 76.168 1.00-10.00 H new ATOM 0 HG1 THR A 48 -57.498 -63.679 76.922 1.00-10.00 H new ATOM 0 HG21 THR A 48 -59.182 -62.483 78.115 1.00-10.00 H new ATOM 0 HG22 THR A 48 -60.769 -63.270 78.287 1.00-10.00 H new ATOM 0 HG23 THR A 48 -59.366 -63.890 79.189 1.00-10.00 H new ATOM 691 N ALA A 49 -62.277 -66.698 76.958 1.00-10.00 N ATOM 692 CA ALA A 49 -63.701 -66.706 76.632 1.00-10.00 C ATOM 693 C ALA A 49 -64.560 -66.625 77.894 1.00-10.00 C ATOM 694 O ALA A 49 -64.229 -67.220 78.922 1.00-10.00 O ATOM 695 CB ALA A 49 -64.050 -67.953 75.831 1.00-10.00 C ATOM 0 H ALA A 49 -61.906 -67.605 77.239 1.00-10.00 H new ATOM 0 HA ALA A 49 -63.914 -65.825 76.027 1.00-10.00 H new ATOM 0 HB1 ALA A 49 -65.114 -67.947 75.594 1.00-10.00 H new ATOM 0 HB2 ALA A 49 -63.473 -67.965 74.907 1.00-10.00 H new ATOM 0 HB3 ALA A 49 -63.814 -68.840 76.418 1.00-10.00 H new ATOM 701 N ALA A 50 -65.666 -65.886 77.806 1.00-10.00 N ATOM 702 CA ALA A 50 -66.578 -65.726 78.937 1.00-10.00 C ATOM 703 C ALA A 50 -67.496 -66.939 79.083 1.00-10.00 C ATOM 704 O ALA A 50 -67.802 -67.615 78.099 1.00-10.00 O ATOM 705 CB ALA A 50 -67.400 -64.454 78.776 1.00-10.00 C ATOM 0 H ALA A 50 -65.952 -65.389 76.962 1.00-10.00 H new ATOM 0 HA ALA A 50 -65.980 -65.647 79.845 1.00-10.00 H new ATOM 0 HB1 ALA A 50 -68.075 -64.347 79.625 1.00-10.00 H new ATOM 0 HB2 ALA A 50 -66.733 -63.593 78.732 1.00-10.00 H new ATOM 0 HB3 ALA A 50 -67.981 -64.510 77.855 1.00-10.00 H new ATOM 711 N ASN A 51 -67.927 -67.203 80.323 1.00-10.00 N ATOM 712 CA ASN A 51 -68.815 -68.331 80.637 1.00-10.00 C ATOM 713 C ASN A 51 -68.322 -69.644 80.003 1.00-10.00 C ATOM 714 O ASN A 51 -67.159 -69.754 79.606 1.00-10.00 O ATOM 715 CB ASN A 51 -70.262 -68.010 80.211 1.00-10.00 C ATOM 716 CG ASN A 51 -70.464 -67.989 78.705 1.00-10.00 C ATOM 717 OD1 ASN A 51 -70.582 -69.034 78.067 1.00-10.00 O ATOM 718 ND2 ASN A 51 -70.514 -66.793 78.127 1.00-10.00 N ATOM 0 H ASN A 51 -67.671 -66.642 81.136 1.00-10.00 H new ATOM 0 HA ASN A 51 -68.799 -68.478 81.717 1.00-10.00 H new ATOM 0 HB2 ASN A 51 -70.933 -68.749 80.649 1.00-10.00 H new ATOM 0 HB3 ASN A 51 -70.546 -67.040 80.620 1.00-10.00 H new ATOM 0 HD21 ASN A 51 -70.655 -66.719 77.119 1.00-10.00 H new ATOM 0 HD22 ASN A 51 -70.412 -65.949 78.691 1.00-10.00 H new