USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 37 SER OG : rot -171:sc= 0.164 USER MOD Set 1.2: A 52 TYR OH : rot 13:sc= -2.12! USER MOD Single : A 8 CYS SG : rot 10:sc= -4.85! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 135:sc= 0.442 USER MOD Single : A 36 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 154:sc= 0.0132 USER MOD Single : A 46 LYS NZ :NH3+ -127:sc= 0.506 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -15:sc= -6.28! USER MOD Single : A 57 CYS SG : rot 16:sc= -0.415 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.0496 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 51.946 -5.346 6.243 1.00 0.00 N ATOM 56 CA TRP A 5 53.354 -5.014 6.603 1.00 0.00 C ATOM 57 C TRP A 5 54.180 -6.300 6.653 1.00 0.00 C ATOM 58 O TRP A 5 54.032 -7.111 7.545 1.00 0.00 O ATOM 59 CB TRP A 5 53.384 -4.336 7.976 1.00 0.00 C ATOM 60 CG TRP A 5 52.511 -3.121 7.957 1.00 0.00 C ATOM 61 CD1 TRP A 5 51.180 -3.115 8.199 1.00 0.00 C ATOM 62 CD2 TRP A 5 52.883 -1.737 7.688 1.00 0.00 C ATOM 63 NE1 TRP A 5 50.711 -1.818 8.095 1.00 0.00 N ATOM 64 CE2 TRP A 5 51.723 -0.932 7.782 1.00 0.00 C ATOM 65 CE3 TRP A 5 54.101 -1.110 7.374 1.00 0.00 C ATOM 66 CZ2 TRP A 5 51.770 0.447 7.572 1.00 0.00 C ATOM 67 CZ3 TRP A 5 54.153 0.278 7.163 1.00 0.00 C ATOM 68 CH2 TRP A 5 52.990 1.055 7.262 1.00 0.00 C ATOM 0 HA TRP A 5 53.772 -4.339 5.856 1.00 0.00 H new ATOM 0 HB2 TRP A 5 53.041 -5.030 8.743 1.00 0.00 H new ATOM 0 HB3 TRP A 5 54.406 -4.057 8.233 1.00 0.00 H new ATOM 0 HD1 TRP A 5 50.581 -3.982 8.435 1.00 0.00 H new ATOM 0 HE1 TRP A 5 49.737 -1.549 8.233 1.00 0.00 H new ATOM 0 HE3 TRP A 5 55.003 -1.699 7.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 50.871 1.040 7.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 55.095 0.749 6.923 1.00 0.00 H new ATOM 0 HH2 TRP A 5 53.037 2.122 7.099 1.00 0.00 H new ATOM 79 N LEU A 6 55.047 -6.497 5.697 1.00 0.00 N ATOM 80 CA LEU A 6 55.878 -7.735 5.689 1.00 0.00 C ATOM 81 C LEU A 6 57.331 -7.382 6.008 1.00 0.00 C ATOM 82 O LEU A 6 57.756 -6.256 5.846 1.00 0.00 O ATOM 83 CB LEU A 6 55.809 -8.384 4.305 1.00 0.00 C ATOM 84 CG LEU A 6 56.345 -7.405 3.259 1.00 0.00 C ATOM 85 CD1 LEU A 6 57.255 -8.148 2.280 1.00 0.00 C ATOM 86 CD2 LEU A 6 55.174 -6.786 2.494 1.00 0.00 C ATOM 0 H LEU A 6 55.216 -5.855 4.922 1.00 0.00 H new ATOM 0 HA LEU A 6 55.499 -8.428 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 6 56.394 -9.303 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 6 54.780 -8.658 4.070 1.00 0.00 H new ATOM 0 HG LEU A 6 56.913 -6.619 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 6 57.636 -7.449 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 6 58.090 -8.590 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 6 56.688 -8.935 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 6 55.555 -6.088 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 6 54.607 -7.573 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 6 54.525 -6.255 3.190 1.00 0.00 H new ATOM 98 N ASP A 7 58.100 -8.338 6.456 1.00 0.00 N ATOM 99 CA ASP A 7 59.526 -8.054 6.777 1.00 0.00 C ATOM 100 C ASP A 7 60.192 -7.401 5.565 1.00 0.00 C ATOM 101 O ASP A 7 59.960 -7.786 4.436 1.00 0.00 O ATOM 102 CB ASP A 7 60.246 -9.362 7.112 1.00 0.00 C ATOM 103 CG ASP A 7 59.722 -10.478 6.206 1.00 0.00 C ATOM 104 OD1 ASP A 7 59.971 -10.411 5.013 1.00 0.00 O ATOM 105 OD2 ASP A 7 59.081 -11.380 6.720 1.00 0.00 O ATOM 0 H ASP A 7 57.802 -9.301 6.613 1.00 0.00 H new ATOM 0 HA ASP A 7 59.582 -7.382 7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 7 61.321 -9.243 6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 7 60.084 -9.622 8.158 1.00 0.00 H new ATOM 110 N CYS A 8 61.012 -6.410 5.784 1.00 0.00 N ATOM 111 CA CYS A 8 61.680 -5.735 4.637 1.00 0.00 C ATOM 112 C CYS A 8 63.104 -6.278 4.470 1.00 0.00 C ATOM 113 O CYS A 8 63.965 -5.993 5.278 1.00 0.00 O ATOM 114 CB CYS A 8 61.751 -4.230 4.903 1.00 0.00 C ATOM 115 SG CYS A 8 62.679 -3.430 3.571 1.00 0.00 S ATOM 0 H CYS A 8 61.247 -6.040 6.705 1.00 0.00 H new ATOM 0 HA CYS A 8 61.108 -5.927 3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 8 60.746 -3.812 4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 8 62.233 -4.041 5.862 1.00 0.00 H new ATOM 0 HG CYS A 8 62.880 -4.282 2.610 1.00 0.00 H new ATOM 121 N PRO A 9 63.319 -7.035 3.422 1.00 0.00 N ATOM 122 CA PRO A 9 64.640 -7.613 3.130 1.00 0.00 C ATOM 123 C PRO A 9 65.562 -6.545 2.533 1.00 0.00 C ATOM 124 O PRO A 9 66.738 -6.491 2.835 1.00 0.00 O ATOM 125 CB PRO A 9 64.336 -8.716 2.112 1.00 0.00 C ATOM 126 CG PRO A 9 62.982 -8.349 1.463 1.00 0.00 C ATOM 127 CD PRO A 9 62.276 -7.385 2.435 1.00 0.00 C ATOM 0 HA PRO A 9 65.151 -7.995 4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 9 65.123 -8.778 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 9 64.282 -9.690 2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 9 63.133 -7.878 0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 9 62.378 -9.241 1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 9 61.904 -6.500 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.419 -7.859 2.913 1.00 0.00 H new ATOM 135 N ALA A 10 65.037 -5.692 1.692 1.00 0.00 N ATOM 136 CA ALA A 10 65.884 -4.626 1.085 1.00 0.00 C ATOM 137 C ALA A 10 66.790 -4.019 2.161 1.00 0.00 C ATOM 138 O ALA A 10 67.900 -3.605 1.890 1.00 0.00 O ATOM 139 CB ALA A 10 64.988 -3.534 0.498 1.00 0.00 C ATOM 0 H ALA A 10 64.060 -5.689 1.400 1.00 0.00 H new ATOM 0 HA ALA A 10 66.497 -5.057 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 10 65.607 -2.755 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 10 64.343 -3.965 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 10 64.374 -3.103 1.289 1.00 0.00 H new ATOM 145 N LEU A 11 66.327 -3.967 3.383 1.00 0.00 N ATOM 146 CA LEU A 11 67.165 -3.392 4.474 1.00 0.00 C ATOM 147 C LEU A 11 67.485 -4.480 5.498 1.00 0.00 C ATOM 148 O LEU A 11 68.620 -4.886 5.652 1.00 0.00 O ATOM 149 CB LEU A 11 66.408 -2.256 5.168 1.00 0.00 C ATOM 150 CG LEU A 11 65.608 -1.457 4.138 1.00 0.00 C ATOM 151 CD1 LEU A 11 65.030 -0.206 4.803 1.00 0.00 C ATOM 152 CD2 LEU A 11 66.523 -1.037 2.986 1.00 0.00 C ATOM 0 H LEU A 11 65.406 -4.298 3.671 1.00 0.00 H new ATOM 0 HA LEU A 11 68.089 -3.004 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.738 -2.663 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.110 -1.601 5.683 1.00 0.00 H new ATOM 0 HG LEU A 11 64.799 -2.077 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.459 0.365 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 11 64.376 -0.500 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.843 0.409 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.949 -0.468 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 11 67.333 -0.419 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.939 -1.925 2.510 1.00 0.00 H new ATOM 164 N GLY A 12 66.496 -4.955 6.201 1.00 0.00 N ATOM 165 CA GLY A 12 66.752 -6.014 7.212 1.00 0.00 C ATOM 166 C GLY A 12 65.525 -6.175 8.115 1.00 0.00 C ATOM 167 O GLY A 12 64.408 -5.966 7.684 1.00 0.00 O ATOM 0 H GLY A 12 65.524 -4.656 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 12 66.976 -6.958 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 12 67.625 -5.755 7.811 1.00 0.00 H new ATOM 171 N PRO A 13 65.774 -6.547 9.346 1.00 0.00 N ATOM 172 CA PRO A 13 64.711 -6.752 10.346 1.00 0.00 C ATOM 173 C PRO A 13 64.217 -5.409 10.893 1.00 0.00 C ATOM 174 O PRO A 13 64.812 -4.375 10.659 1.00 0.00 O ATOM 175 CB PRO A 13 65.404 -7.567 11.442 1.00 0.00 C ATOM 176 CG PRO A 13 66.920 -7.299 11.293 1.00 0.00 C ATOM 177 CD PRO A 13 67.139 -6.797 9.854 1.00 0.00 C ATOM 0 HA PRO A 13 63.832 -7.251 9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 13 65.052 -7.268 12.429 1.00 0.00 H new ATOM 0 HB3 PRO A 13 65.185 -8.629 11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 13 67.255 -6.557 12.017 1.00 0.00 H new ATOM 0 HG3 PRO A 13 67.494 -8.207 11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 13 67.743 -5.890 9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 13 67.660 -7.539 9.248 1.00 0.00 H new ATOM 185 N GLY A 14 63.134 -5.420 11.623 1.00 0.00 N ATOM 186 CA GLY A 14 62.601 -4.148 12.189 1.00 0.00 C ATOM 187 C GLY A 14 61.918 -3.341 11.085 1.00 0.00 C ATOM 188 O GLY A 14 60.762 -2.981 11.190 1.00 0.00 O ATOM 0 H GLY A 14 62.595 -6.255 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 14 61.891 -4.363 12.988 1.00 0.00 H new ATOM 0 HA3 GLY A 14 63.411 -3.567 12.630 1.00 0.00 H new ATOM 192 N TRP A 15 62.624 -3.049 10.029 1.00 0.00 N ATOM 193 CA TRP A 15 62.019 -2.259 8.920 1.00 0.00 C ATOM 194 C TRP A 15 60.843 -3.029 8.318 1.00 0.00 C ATOM 195 O TRP A 15 60.985 -4.150 7.874 1.00 0.00 O ATOM 196 CB TRP A 15 63.070 -2.016 7.838 1.00 0.00 C ATOM 197 CG TRP A 15 62.755 -0.746 7.121 1.00 0.00 C ATOM 198 CD1 TRP A 15 62.455 -0.651 5.807 1.00 0.00 C ATOM 199 CD2 TRP A 15 62.700 0.609 7.653 1.00 0.00 C ATOM 200 NE1 TRP A 15 62.230 0.677 5.496 1.00 0.00 N ATOM 201 CE2 TRP A 15 62.365 1.491 6.601 1.00 0.00 C ATOM 202 CE3 TRP A 15 62.909 1.152 8.932 1.00 0.00 C ATOM 203 CZ2 TRP A 15 62.240 2.862 6.810 1.00 0.00 C ATOM 204 CZ3 TRP A 15 62.784 2.535 9.147 1.00 0.00 C ATOM 205 CH2 TRP A 15 62.450 3.387 8.087 1.00 0.00 C ATOM 0 H TRP A 15 63.596 -3.324 9.885 1.00 0.00 H new ATOM 0 HA TRP A 15 61.665 -1.305 9.310 1.00 0.00 H new ATOM 0 HB2 TRP A 15 64.062 -1.958 8.285 1.00 0.00 H new ATOM 0 HB3 TRP A 15 63.085 -2.849 7.136 1.00 0.00 H new ATOM 0 HD1 TRP A 15 62.400 -1.477 5.113 1.00 0.00 H new ATOM 0 HE1 TRP A 15 61.993 1.014 4.563 1.00 0.00 H new ATOM 0 HE3 TRP A 15 63.167 0.502 9.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 61.982 3.515 5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 62.946 2.943 10.134 1.00 0.00 H new ATOM 0 HH2 TRP A 15 62.355 4.449 8.257 1.00 0.00 H new ATOM 216 N LYS A 16 59.681 -2.433 8.296 1.00 0.00 N ATOM 217 CA LYS A 16 58.499 -3.132 7.716 1.00 0.00 C ATOM 218 C LYS A 16 58.200 -2.565 6.325 1.00 0.00 C ATOM 219 O LYS A 16 57.941 -1.389 6.167 1.00 0.00 O ATOM 220 CB LYS A 16 57.287 -2.920 8.625 1.00 0.00 C ATOM 221 CG LYS A 16 57.015 -4.198 9.420 1.00 0.00 C ATOM 222 CD LYS A 16 57.589 -4.054 10.831 1.00 0.00 C ATOM 223 CE LYS A 16 57.150 -5.246 11.683 1.00 0.00 C ATOM 224 NZ LYS A 16 57.996 -6.429 11.355 1.00 0.00 N ATOM 0 H LYS A 16 59.500 -1.495 8.654 1.00 0.00 H new ATOM 0 HA LYS A 16 58.711 -4.198 7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.470 -2.088 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 16 56.413 -2.657 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 16 55.943 -4.386 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.466 -5.054 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 16 58.677 -4.004 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 16 57.244 -3.124 11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 16 57.240 -5.003 12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 16 56.100 -5.473 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 57.698 -7.240 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 57.888 -6.664 10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 58.993 -6.209 11.554 1.00 0.00 H new ATOM 238 N ARG A 17 58.231 -3.394 5.314 1.00 0.00 N ATOM 239 CA ARG A 17 57.944 -2.901 3.935 1.00 0.00 C ATOM 240 C ARG A 17 56.468 -3.140 3.608 1.00 0.00 C ATOM 241 O ARG A 17 56.017 -4.265 3.523 1.00 0.00 O ATOM 242 CB ARG A 17 58.813 -3.658 2.926 1.00 0.00 C ATOM 243 CG ARG A 17 59.158 -2.737 1.750 1.00 0.00 C ATOM 244 CD ARG A 17 60.500 -3.157 1.140 1.00 0.00 C ATOM 245 NE ARG A 17 60.695 -4.619 1.328 1.00 0.00 N ATOM 246 CZ ARG A 17 60.397 -5.450 0.367 1.00 0.00 C ATOM 247 NH1 ARG A 17 60.715 -5.165 -0.866 1.00 0.00 N ATOM 248 NH2 ARG A 17 59.781 -6.567 0.639 1.00 0.00 N ATOM 0 H ARG A 17 58.442 -4.389 5.384 1.00 0.00 H new ATOM 0 HA ARG A 17 58.166 -1.835 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 17 59.726 -4.007 3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 17 58.285 -4.541 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 17 58.373 -2.786 0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 17 59.210 -1.702 2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 17 60.522 -2.910 0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 17 61.314 -2.607 1.612 1.00 0.00 H new ATOM 0 HE ARG A 17 61.063 -4.973 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 17 61.197 -4.292 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 17 60.482 -5.815 -1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 17 59.532 -6.791 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 17 59.548 -7.217 -0.112 1.00 0.00 H new ATOM 262 N ARG A 18 55.711 -2.093 3.425 1.00 0.00 N ATOM 263 CA ARG A 18 54.265 -2.267 3.105 1.00 0.00 C ATOM 264 C ARG A 18 54.048 -2.091 1.599 1.00 0.00 C ATOM 265 O ARG A 18 54.629 -1.226 0.975 1.00 0.00 O ATOM 266 CB ARG A 18 53.445 -1.222 3.865 1.00 0.00 C ATOM 267 CG ARG A 18 51.960 -1.583 3.788 1.00 0.00 C ATOM 268 CD ARG A 18 51.200 -0.468 3.067 1.00 0.00 C ATOM 269 NE ARG A 18 51.564 0.847 3.664 1.00 0.00 N ATOM 270 CZ ARG A 18 50.898 1.922 3.336 1.00 0.00 C ATOM 271 NH1 ARG A 18 49.825 1.829 2.598 1.00 0.00 N ATOM 272 NH2 ARG A 18 51.306 3.090 3.749 1.00 0.00 N ATOM 0 H ARG A 18 56.030 -1.126 3.483 1.00 0.00 H new ATOM 0 HA ARG A 18 53.946 -3.266 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.766 -1.179 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.612 -0.233 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 18 51.831 -2.527 3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.556 -1.723 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.442 -0.477 2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.126 -0.633 3.151 1.00 0.00 H new ATOM 0 HE ARG A 18 52.334 0.908 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 18 49.505 0.916 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 18 49.307 2.670 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.143 3.163 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.788 3.931 3.494 1.00 0.00 H new ATOM 286 N GLU A 19 53.213 -2.906 1.010 1.00 0.00 N ATOM 287 CA GLU A 19 52.958 -2.785 -0.455 1.00 0.00 C ATOM 288 C GLU A 19 51.550 -2.229 -0.684 1.00 0.00 C ATOM 289 O GLU A 19 50.629 -2.524 0.052 1.00 0.00 O ATOM 290 CB GLU A 19 53.071 -4.164 -1.110 1.00 0.00 C ATOM 291 CG GLU A 19 52.050 -5.113 -0.480 1.00 0.00 C ATOM 292 CD GLU A 19 52.224 -6.515 -1.068 1.00 0.00 C ATOM 293 OE1 GLU A 19 53.322 -6.823 -1.498 1.00 0.00 O ATOM 294 OE2 GLU A 19 51.254 -7.255 -1.078 1.00 0.00 O ATOM 0 H GLU A 19 52.697 -3.650 1.480 1.00 0.00 H new ATOM 0 HA GLU A 19 53.693 -2.111 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.896 -4.084 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 19 54.079 -4.559 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.184 -5.142 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.039 -4.752 -0.667 1.00 0.00 H new ATOM 301 N VAL A 20 51.374 -1.427 -1.699 1.00 0.00 N ATOM 302 CA VAL A 20 50.025 -0.855 -1.973 1.00 0.00 C ATOM 303 C VAL A 20 49.649 -1.115 -3.433 1.00 0.00 C ATOM 304 O VAL A 20 50.496 -1.362 -4.268 1.00 0.00 O ATOM 305 CB VAL A 20 50.047 0.654 -1.714 1.00 0.00 C ATOM 306 CG1 VAL A 20 48.779 1.292 -2.286 1.00 0.00 C ATOM 307 CG2 VAL A 20 50.110 0.912 -0.207 1.00 0.00 C ATOM 0 H VAL A 20 52.106 -1.143 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 20 49.291 -1.325 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 20 50.922 1.090 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 20 48.797 2.366 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 48.733 1.110 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 47.903 0.855 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 20 50.126 1.986 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 20 49.236 0.474 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 20 51.014 0.460 0.202 1.00 0.00 H new ATOM 478 N ASP A 32 52.786 1.211 -5.127 1.00 0.00 N ATOM 479 CA ASP A 32 53.409 2.152 -4.154 1.00 0.00 C ATOM 480 C ASP A 32 53.930 1.363 -2.953 1.00 0.00 C ATOM 481 O ASP A 32 53.299 0.436 -2.486 1.00 0.00 O ATOM 482 CB ASP A 32 52.368 3.169 -3.685 1.00 0.00 C ATOM 483 CG ASP A 32 52.211 4.261 -4.744 1.00 0.00 C ATOM 484 OD1 ASP A 32 53.131 5.048 -4.896 1.00 0.00 O ATOM 485 OD2 ASP A 32 51.174 4.292 -5.386 1.00 0.00 O ATOM 0 HA ASP A 32 54.235 2.678 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.412 2.674 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.675 3.609 -2.736 1.00 0.00 H new ATOM 490 N THR A 33 55.080 1.719 -2.451 1.00 0.00 N ATOM 491 CA THR A 33 55.638 0.981 -1.286 1.00 0.00 C ATOM 492 C THR A 33 56.030 1.970 -0.186 1.00 0.00 C ATOM 493 O THR A 33 56.783 2.897 -0.408 1.00 0.00 O ATOM 494 CB THR A 33 56.874 0.193 -1.729 1.00 0.00 C ATOM 495 OG1 THR A 33 56.478 -0.847 -2.612 1.00 0.00 O ATOM 496 CG2 THR A 33 57.564 -0.412 -0.506 1.00 0.00 C ATOM 0 H THR A 33 55.655 2.487 -2.797 1.00 0.00 H new ATOM 0 HA THR A 33 54.885 0.294 -0.899 1.00 0.00 H new ATOM 0 HB THR A 33 57.567 0.862 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 33 57.268 -1.352 -2.898 1.00 0.00 H new ATOM 0 HG21 THR A 33 58.443 -0.972 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 33 57.868 0.386 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 33 56.874 -1.081 0.007 1.00 0.00 H new ATOM 504 N TYR A 34 55.533 1.769 1.003 1.00 0.00 N ATOM 505 CA TYR A 34 55.882 2.681 2.127 1.00 0.00 C ATOM 506 C TYR A 34 56.665 1.883 3.170 1.00 0.00 C ATOM 507 O TYR A 34 56.719 0.671 3.118 1.00 0.00 O ATOM 508 CB TYR A 34 54.605 3.240 2.763 1.00 0.00 C ATOM 509 CG TYR A 34 53.680 3.772 1.691 1.00 0.00 C ATOM 510 CD1 TYR A 34 53.117 2.903 0.747 1.00 0.00 C ATOM 511 CD2 TYR A 34 53.379 5.139 1.647 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.255 3.401 -0.238 1.00 0.00 C ATOM 513 CE2 TYR A 34 52.519 5.637 0.661 1.00 0.00 C ATOM 514 CZ TYR A 34 51.957 4.768 -0.281 1.00 0.00 C ATOM 515 OH TYR A 34 51.108 5.259 -1.253 1.00 0.00 O ATOM 0 H TYR A 34 54.897 1.009 1.245 1.00 0.00 H new ATOM 0 HA TYR A 34 56.482 3.512 1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 34 54.102 2.459 3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 34 54.857 4.035 3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 34 53.348 1.848 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 34 53.811 5.810 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 34 51.820 2.730 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 34 52.289 6.692 0.627 1.00 0.00 H new ATOM 0 HH TYR A 34 51.007 6.227 -1.140 1.00 0.00 H new ATOM 525 N TYR A 35 57.285 2.541 4.111 1.00 0.00 N ATOM 526 CA TYR A 35 58.067 1.791 5.133 1.00 0.00 C ATOM 527 C TYR A 35 57.803 2.368 6.523 1.00 0.00 C ATOM 528 O TYR A 35 57.600 3.554 6.689 1.00 0.00 O ATOM 529 CB TYR A 35 59.559 1.896 4.809 1.00 0.00 C ATOM 530 CG TYR A 35 59.773 1.571 3.351 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.284 2.435 2.366 1.00 0.00 C ATOM 532 CD2 TYR A 35 60.450 0.403 2.984 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.468 2.131 1.013 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.637 0.100 1.630 1.00 0.00 C ATOM 535 CZ TYR A 35 60.146 0.964 0.645 1.00 0.00 C ATOM 536 OH TYR A 35 60.325 0.663 -0.688 1.00 0.00 O ATOM 0 H TYR A 35 57.284 3.556 4.216 1.00 0.00 H new ATOM 0 HA TYR A 35 57.762 0.745 5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 35 59.921 2.901 5.027 1.00 0.00 H new ATOM 0 HB3 TYR A 35 60.129 1.209 5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 35 58.764 3.338 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 35 60.828 -0.264 3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.087 2.797 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.160 -0.801 1.346 1.00 0.00 H new ATOM 0 HH TYR A 35 61.249 0.373 -0.837 1.00 0.00 H new ATOM 546 N GLN A 36 57.809 1.532 7.523 1.00 0.00 N ATOM 547 CA GLN A 36 57.562 2.022 8.906 1.00 0.00 C ATOM 548 C GLN A 36 58.676 1.524 9.826 1.00 0.00 C ATOM 549 O GLN A 36 58.940 0.339 9.916 1.00 0.00 O ATOM 550 CB GLN A 36 56.215 1.494 9.403 1.00 0.00 C ATOM 551 CG GLN A 36 56.060 1.811 10.891 1.00 0.00 C ATOM 552 CD GLN A 36 54.635 1.481 11.337 1.00 0.00 C ATOM 553 OE1 GLN A 36 54.007 2.256 12.030 1.00 0.00 O ATOM 554 NE2 GLN A 36 54.094 0.354 10.964 1.00 0.00 N ATOM 0 H GLN A 36 57.975 0.529 7.441 1.00 0.00 H new ATOM 0 HA GLN A 36 57.546 3.112 8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 36 55.403 1.950 8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 36 56.152 0.418 9.241 1.00 0.00 H new ATOM 0 HG2 GLN A 36 56.778 1.233 11.473 1.00 0.00 H new ATOM 0 HG3 GLN A 36 56.275 2.864 11.074 1.00 0.00 H new ATOM 0 HE21 GLN A 36 54.621 -0.297 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 36 53.144 0.124 11.254 1.00 0.00 H new ATOM 563 N SER A 37 59.333 2.418 10.511 1.00 0.00 N ATOM 564 CA SER A 37 60.429 1.999 11.425 1.00 0.00 C ATOM 565 C SER A 37 59.836 1.223 12.605 1.00 0.00 C ATOM 566 O SER A 37 58.632 1.118 12.732 1.00 0.00 O ATOM 567 CB SER A 37 61.158 3.238 11.946 1.00 0.00 C ATOM 568 OG SER A 37 60.760 4.370 11.184 1.00 0.00 O ATOM 0 H SER A 37 59.157 3.422 10.476 1.00 0.00 H new ATOM 0 HA SER A 37 61.132 1.364 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 37 60.927 3.394 13.000 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.236 3.097 11.874 1.00 0.00 H new ATOM 0 HG SER A 37 61.321 5.138 11.421 1.00 0.00 H new ATOM 574 N PRO A 38 60.703 0.706 13.436 1.00 0.00 N ATOM 575 CA PRO A 38 60.302 -0.066 14.624 1.00 0.00 C ATOM 576 C PRO A 38 59.849 0.877 15.744 1.00 0.00 C ATOM 577 O PRO A 38 59.564 0.454 16.847 1.00 0.00 O ATOM 578 CB PRO A 38 61.581 -0.811 15.017 1.00 0.00 C ATOM 579 CG PRO A 38 62.756 -0.013 14.405 1.00 0.00 C ATOM 580 CD PRO A 38 62.165 0.840 13.267 1.00 0.00 C ATOM 0 HA PRO A 38 59.465 -0.739 14.438 1.00 0.00 H new ATOM 0 HB2 PRO A 38 61.677 -0.873 16.101 1.00 0.00 H new ATOM 0 HB3 PRO A 38 61.567 -1.833 14.639 1.00 0.00 H new ATOM 0 HG2 PRO A 38 63.228 0.619 15.157 1.00 0.00 H new ATOM 0 HG3 PRO A 38 63.525 -0.686 14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 38 62.481 1.880 13.344 1.00 0.00 H new ATOM 0 HD3 PRO A 38 62.488 0.480 12.290 1.00 0.00 H new ATOM 588 N THR A 39 59.778 2.151 15.468 1.00 0.00 N ATOM 589 CA THR A 39 59.343 3.119 16.514 1.00 0.00 C ATOM 590 C THR A 39 58.010 3.750 16.101 1.00 0.00 C ATOM 591 O THR A 39 57.243 4.200 16.929 1.00 0.00 O ATOM 592 CB THR A 39 60.404 4.213 16.666 1.00 0.00 C ATOM 593 OG1 THR A 39 60.078 5.034 17.780 1.00 0.00 O ATOM 594 CG2 THR A 39 60.449 5.066 15.397 1.00 0.00 C ATOM 0 H THR A 39 60.003 2.563 14.562 1.00 0.00 H new ATOM 0 HA THR A 39 59.218 2.600 17.464 1.00 0.00 H new ATOM 0 HB THR A 39 61.379 3.753 16.825 1.00 0.00 H new ATOM 0 HG1 THR A 39 60.757 5.734 17.880 1.00 0.00 H new ATOM 0 HG21 THR A 39 61.205 5.844 15.508 1.00 0.00 H new ATOM 0 HG22 THR A 39 60.699 4.436 14.544 1.00 0.00 H new ATOM 0 HG23 THR A 39 59.475 5.527 15.234 1.00 0.00 H new ATOM 602 N GLY A 40 57.727 3.783 14.826 1.00 0.00 N ATOM 603 CA GLY A 40 56.442 4.382 14.361 1.00 0.00 C ATOM 604 C GLY A 40 56.722 5.489 13.342 1.00 0.00 C ATOM 605 O GLY A 40 55.853 6.270 13.008 1.00 0.00 O ATOM 0 H GLY A 40 58.330 3.421 14.087 1.00 0.00 H new ATOM 0 HA2 GLY A 40 55.814 3.613 13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 40 55.892 4.788 15.210 1.00 0.00 H new ATOM 609 N ASP A 41 57.925 5.564 12.842 1.00 0.00 N ATOM 610 CA ASP A 41 58.249 6.622 11.844 1.00 0.00 C ATOM 611 C ASP A 41 57.992 6.082 10.435 1.00 0.00 C ATOM 612 O ASP A 41 58.672 5.191 9.967 1.00 0.00 O ATOM 613 CB ASP A 41 59.720 7.021 11.981 1.00 0.00 C ATOM 614 CG ASP A 41 59.818 8.521 12.263 1.00 0.00 C ATOM 615 OD1 ASP A 41 59.589 9.293 11.347 1.00 0.00 O ATOM 616 OD2 ASP A 41 60.121 8.873 13.392 1.00 0.00 O ATOM 0 H ASP A 41 58.696 4.940 13.081 1.00 0.00 H new ATOM 0 HA ASP A 41 57.622 7.496 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.187 6.457 12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.261 6.776 11.067 1.00 0.00 H new ATOM 621 N ARG A 42 57.010 6.613 9.757 1.00 0.00 N ATOM 622 CA ARG A 42 56.703 6.129 8.381 1.00 0.00 C ATOM 623 C ARG A 42 57.395 7.029 7.353 1.00 0.00 C ATOM 624 O ARG A 42 57.433 8.235 7.495 1.00 0.00 O ATOM 625 CB ARG A 42 55.189 6.170 8.158 1.00 0.00 C ATOM 626 CG ARG A 42 54.626 4.748 8.197 1.00 0.00 C ATOM 627 CD ARG A 42 54.088 4.448 9.598 1.00 0.00 C ATOM 628 NE ARG A 42 52.711 5.002 9.731 1.00 0.00 N ATOM 629 CZ ARG A 42 52.521 6.292 9.698 1.00 0.00 C ATOM 630 NH1 ARG A 42 53.020 7.050 10.635 1.00 0.00 N ATOM 631 NH2 ARG A 42 51.830 6.825 8.727 1.00 0.00 N ATOM 0 H ARG A 42 56.407 7.362 10.097 1.00 0.00 H new ATOM 0 HA ARG A 42 57.063 5.107 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 42 54.715 6.781 8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 42 54.965 6.634 7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.830 4.641 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 42 55.403 4.031 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.077 3.372 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.742 4.886 10.352 1.00 0.00 H new ATOM 0 HE ARG A 42 51.917 4.372 9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.559 6.634 11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.871 8.059 10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.439 6.233 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.681 7.834 8.701 1.00 0.00 H new ATOM 645 N ILE A 43 57.944 6.452 6.317 1.00 0.00 N ATOM 646 CA ILE A 43 58.633 7.275 5.282 1.00 0.00 C ATOM 647 C ILE A 43 58.235 6.785 3.890 1.00 0.00 C ATOM 648 O ILE A 43 57.746 5.685 3.725 1.00 0.00 O ATOM 649 CB ILE A 43 60.147 7.156 5.460 1.00 0.00 C ATOM 650 CG1 ILE A 43 60.536 7.668 6.850 1.00 0.00 C ATOM 651 CG2 ILE A 43 60.851 7.994 4.393 1.00 0.00 C ATOM 652 CD1 ILE A 43 61.421 6.635 7.548 1.00 0.00 C ATOM 0 H ILE A 43 57.945 5.447 6.143 1.00 0.00 H new ATOM 0 HA ILE A 43 58.339 8.319 5.392 1.00 0.00 H new ATOM 0 HB ILE A 43 60.446 6.113 5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 43 61.066 8.617 6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 43 59.641 7.855 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 43 61.931 7.910 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 43 60.572 7.632 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 43 60.554 9.038 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 43 61.697 7.001 8.537 1.00 0.00 H new ATOM 0 HD12 ILE A 43 60.876 5.697 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 43 62.322 6.470 6.958 1.00 0.00 H new ATOM 664 N ARG A 44 58.430 7.597 2.886 1.00 0.00 N ATOM 665 CA ARG A 44 58.047 7.175 1.511 1.00 0.00 C ATOM 666 C ARG A 44 58.921 7.889 0.474 1.00 0.00 C ATOM 667 O ARG A 44 58.609 7.906 -0.700 1.00 0.00 O ATOM 668 CB ARG A 44 56.584 7.535 1.267 1.00 0.00 C ATOM 669 CG ARG A 44 55.981 6.536 0.285 1.00 0.00 C ATOM 670 CD ARG A 44 55.004 7.257 -0.643 1.00 0.00 C ATOM 671 NE ARG A 44 55.734 7.745 -1.847 1.00 0.00 N ATOM 672 CZ ARG A 44 55.356 7.364 -3.035 1.00 0.00 C ATOM 673 NH1 ARG A 44 54.274 7.863 -3.567 1.00 0.00 N ATOM 674 NH2 ARG A 44 56.059 6.484 -3.693 1.00 0.00 N ATOM 0 H ARG A 44 58.836 8.530 2.959 1.00 0.00 H new ATOM 0 HA ARG A 44 58.190 6.099 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 44 56.031 7.519 2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 44 56.507 8.547 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 44 56.770 6.062 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 44 55.466 5.743 0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 44 54.201 6.582 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 44 54.540 8.094 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 44 56.528 8.376 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 44 53.724 8.551 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 44 53.978 7.565 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 44 56.905 6.094 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 44 55.763 6.186 -4.622 1.00 0.00 H new ATOM 688 N SER A 45 60.009 8.478 0.887 1.00 0.00 N ATOM 689 CA SER A 45 60.885 9.182 -0.094 1.00 0.00 C ATOM 690 C SER A 45 62.064 8.282 -0.461 1.00 0.00 C ATOM 691 O SER A 45 63.089 8.741 -0.924 1.00 0.00 O ATOM 692 CB SER A 45 61.402 10.484 0.514 1.00 0.00 C ATOM 693 OG SER A 45 60.905 11.584 -0.237 1.00 0.00 O ATOM 0 H SER A 45 60.329 8.503 1.855 1.00 0.00 H new ATOM 0 HA SER A 45 60.310 9.411 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 45 61.083 10.565 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.492 10.491 0.513 1.00 0.00 H new ATOM 0 HG SER A 45 60.867 12.380 0.334 1.00 0.00 H new ATOM 699 N LYS A 46 61.922 7.001 -0.265 1.00 0.00 N ATOM 700 CA LYS A 46 63.027 6.066 -0.609 1.00 0.00 C ATOM 701 C LYS A 46 64.282 6.427 0.184 1.00 0.00 C ATOM 702 O LYS A 46 64.465 5.990 1.302 1.00 0.00 O ATOM 703 CB LYS A 46 63.319 6.156 -2.108 1.00 0.00 C ATOM 704 CG LYS A 46 64.525 5.281 -2.449 1.00 0.00 C ATOM 705 CD LYS A 46 64.410 4.800 -3.896 1.00 0.00 C ATOM 706 CE LYS A 46 65.291 5.670 -4.795 1.00 0.00 C ATOM 707 NZ LYS A 46 65.988 4.808 -5.790 1.00 0.00 N ATOM 0 H LYS A 46 61.086 6.561 0.120 1.00 0.00 H new ATOM 0 HA LYS A 46 62.730 5.048 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 46 62.449 5.832 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 46 63.517 7.191 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.448 5.845 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 46 64.572 4.427 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 46 64.716 3.756 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 46 63.372 4.851 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 46 64.683 6.416 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 46 66.020 6.212 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 67.011 4.992 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 65.808 3.808 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 65.632 5.021 -6.744 1.00 0.00 H new ATOM 721 N VAL A 47 65.154 7.214 -0.381 1.00 0.00 N ATOM 722 CA VAL A 47 66.394 7.582 0.356 1.00 0.00 C ATOM 723 C VAL A 47 66.017 8.279 1.664 1.00 0.00 C ATOM 724 O VAL A 47 66.640 8.071 2.687 1.00 0.00 O ATOM 725 CB VAL A 47 67.254 8.503 -0.510 1.00 0.00 C ATOM 726 CG1 VAL A 47 68.316 9.186 0.357 1.00 0.00 C ATOM 727 CG2 VAL A 47 67.941 7.667 -1.596 1.00 0.00 C ATOM 0 H VAL A 47 65.063 7.616 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 47 66.967 6.683 0.584 1.00 0.00 H new ATOM 0 HB VAL A 47 66.625 9.265 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 47 68.927 9.841 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 47 67.828 9.774 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 47 68.950 8.429 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 47 68.557 8.315 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 47 68.570 6.909 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 47 67.186 7.181 -2.214 1.00 0.00 H new ATOM 737 N GLU A 48 64.996 9.093 1.652 1.00 0.00 N ATOM 738 CA GLU A 48 64.591 9.773 2.912 1.00 0.00 C ATOM 739 C GLU A 48 64.445 8.717 4.002 1.00 0.00 C ATOM 740 O GLU A 48 64.887 8.894 5.120 1.00 0.00 O ATOM 741 CB GLU A 48 63.253 10.486 2.719 1.00 0.00 C ATOM 742 CG GLU A 48 62.837 11.146 4.035 1.00 0.00 C ATOM 743 CD GLU A 48 61.742 12.181 3.767 1.00 0.00 C ATOM 744 OE1 GLU A 48 61.383 12.349 2.613 1.00 0.00 O ATOM 745 OE2 GLU A 48 61.281 12.787 4.720 1.00 0.00 O ATOM 0 H GLU A 48 64.431 9.314 0.832 1.00 0.00 H new ATOM 0 HA GLU A 48 65.345 10.510 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 48 63.338 11.237 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 48 62.492 9.775 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 48 62.475 10.391 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 48 63.698 11.625 4.501 1.00 0.00 H new ATOM 752 N LEU A 49 63.834 7.609 3.678 1.00 0.00 N ATOM 753 CA LEU A 49 63.671 6.535 4.690 1.00 0.00 C ATOM 754 C LEU A 49 65.056 5.981 5.036 1.00 0.00 C ATOM 755 O LEU A 49 65.296 5.506 6.127 1.00 0.00 O ATOM 756 CB LEU A 49 62.759 5.436 4.118 1.00 0.00 C ATOM 757 CG LEU A 49 63.578 4.395 3.345 1.00 0.00 C ATOM 758 CD1 LEU A 49 63.843 3.187 4.243 1.00 0.00 C ATOM 759 CD2 LEU A 49 62.794 3.946 2.109 1.00 0.00 C ATOM 0 H LEU A 49 63.443 7.405 2.758 1.00 0.00 H new ATOM 0 HA LEU A 49 63.209 6.922 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.216 4.949 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.014 5.882 3.459 1.00 0.00 H new ATOM 0 HG LEU A 49 64.526 4.835 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 49 64.425 2.447 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 49 64.399 3.504 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 49 62.894 2.747 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.375 3.206 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 49 61.846 3.506 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.602 4.806 1.468 1.00 0.00 H new ATOM 771 N THR A 50 65.972 6.060 4.110 1.00 0.00 N ATOM 772 CA THR A 50 67.350 5.563 4.374 1.00 0.00 C ATOM 773 C THR A 50 68.033 6.517 5.351 1.00 0.00 C ATOM 774 O THR A 50 68.326 6.168 6.477 1.00 0.00 O ATOM 775 CB THR A 50 68.136 5.529 3.062 1.00 0.00 C ATOM 776 OG1 THR A 50 67.261 5.175 2.001 1.00 0.00 O ATOM 777 CG2 THR A 50 69.269 4.506 3.164 1.00 0.00 C ATOM 0 H THR A 50 65.824 6.449 3.179 1.00 0.00 H new ATOM 0 HA THR A 50 67.312 4.559 4.797 1.00 0.00 H new ATOM 0 HB THR A 50 68.564 6.513 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 50 66.432 4.804 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 50 69.826 4.485 2.227 1.00 0.00 H new ATOM 0 HG22 THR A 50 69.938 4.784 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 50 68.851 3.518 3.359 1.00 0.00 H new ATOM 785 N ARG A 51 68.277 7.729 4.930 1.00 0.00 N ATOM 786 CA ARG A 51 68.927 8.712 5.839 1.00 0.00 C ATOM 787 C ARG A 51 68.211 8.681 7.191 1.00 0.00 C ATOM 788 O ARG A 51 68.774 9.025 8.212 1.00 0.00 O ATOM 789 CB ARG A 51 68.837 10.118 5.236 1.00 0.00 C ATOM 790 CG ARG A 51 67.566 10.243 4.390 1.00 0.00 C ATOM 791 CD ARG A 51 66.885 11.582 4.686 1.00 0.00 C ATOM 792 NE ARG A 51 67.201 12.551 3.598 1.00 0.00 N ATOM 793 CZ ARG A 51 66.761 13.777 3.668 1.00 0.00 C ATOM 794 NH1 ARG A 51 67.065 14.521 4.696 1.00 0.00 N ATOM 795 NH2 ARG A 51 66.018 14.260 2.710 1.00 0.00 N ATOM 0 H ARG A 51 68.054 8.079 3.998 1.00 0.00 H new ATOM 0 HA ARG A 51 69.978 8.454 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 51 68.830 10.864 6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 51 69.715 10.316 4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 51 67.813 10.175 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 51 66.886 9.420 4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 51 65.806 11.444 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 51 67.226 11.972 5.645 1.00 0.00 H new ATOM 0 HE ARG A 51 67.761 12.255 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 51 67.646 14.144 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 51 66.721 15.480 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 51 65.781 13.679 1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 51 65.674 15.219 2.765 1.00 0.00 H new ATOM 809 N TYR A 52 66.972 8.263 7.207 1.00 0.00 N ATOM 810 CA TYR A 52 66.224 8.199 8.493 1.00 0.00 C ATOM 811 C TYR A 52 66.905 7.189 9.419 1.00 0.00 C ATOM 812 O TYR A 52 67.356 7.526 10.496 1.00 0.00 O ATOM 813 CB TYR A 52 64.783 7.760 8.232 1.00 0.00 C ATOM 814 CG TYR A 52 64.100 7.478 9.549 1.00 0.00 C ATOM 815 CD1 TYR A 52 63.772 8.533 10.408 1.00 0.00 C ATOM 816 CD2 TYR A 52 63.798 6.160 9.912 1.00 0.00 C ATOM 817 CE1 TYR A 52 63.141 8.271 11.630 1.00 0.00 C ATOM 818 CE2 TYR A 52 63.167 5.898 11.134 1.00 0.00 C ATOM 819 CZ TYR A 52 62.839 6.953 11.993 1.00 0.00 C ATOM 820 OH TYR A 52 62.218 6.693 13.198 1.00 0.00 O ATOM 0 H TYR A 52 66.448 7.964 6.385 1.00 0.00 H new ATOM 0 HA TYR A 52 66.219 9.184 8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 52 64.246 8.539 7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 52 64.770 6.869 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 52 64.006 9.550 10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 52 64.052 5.346 9.250 1.00 0.00 H new ATOM 0 HE1 TYR A 52 62.887 9.085 12.292 1.00 0.00 H new ATOM 0 HE2 TYR A 52 62.933 4.881 11.414 1.00 0.00 H new ATOM 0 HH TYR A 52 61.876 7.530 13.577 1.00 0.00 H new ATOM 830 N LEU A 53 66.991 5.950 9.006 1.00 0.00 N ATOM 831 CA LEU A 53 67.653 4.928 9.868 1.00 0.00 C ATOM 832 C LEU A 53 69.107 5.340 10.100 1.00 0.00 C ATOM 833 O LEU A 53 69.561 5.459 11.221 1.00 0.00 O ATOM 834 CB LEU A 53 67.629 3.555 9.184 1.00 0.00 C ATOM 835 CG LEU A 53 66.354 3.399 8.356 1.00 0.00 C ATOM 836 CD1 LEU A 53 66.703 3.491 6.870 1.00 0.00 C ATOM 837 CD2 LEU A 53 65.725 2.034 8.647 1.00 0.00 C ATOM 0 H LEU A 53 66.634 5.605 8.115 1.00 0.00 H new ATOM 0 HA LEU A 53 67.119 4.863 10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 53 68.503 3.445 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 53 67.683 2.766 9.934 1.00 0.00 H new ATOM 0 HG LEU A 53 65.649 4.188 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 53 65.796 3.380 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 53 67.157 4.460 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 53 67.405 2.698 6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 53 64.815 1.920 8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 53 66.430 1.245 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 53 65.482 1.964 9.707 1.00 0.00 H new ATOM 849 N GLY A 54 69.841 5.556 9.043 1.00 0.00 N ATOM 850 CA GLY A 54 71.268 5.959 9.190 1.00 0.00 C ATOM 851 C GLY A 54 72.097 5.293 8.089 1.00 0.00 C ATOM 852 O GLY A 54 71.576 4.948 7.047 1.00 0.00 O ATOM 0 H GLY A 54 69.513 5.470 8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 54 71.360 7.043 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 54 71.642 5.665 10.171 1.00 0.00 H new ATOM 856 N PRO A 55 73.366 5.130 8.357 1.00 0.00 N ATOM 857 CA PRO A 55 74.302 4.503 7.408 1.00 0.00 C ATOM 858 C PRO A 55 74.139 2.980 7.426 1.00 0.00 C ATOM 859 O PRO A 55 74.543 2.292 6.510 1.00 0.00 O ATOM 860 CB PRO A 55 75.679 4.914 7.938 1.00 0.00 C ATOM 861 CG PRO A 55 75.486 5.259 9.434 1.00 0.00 C ATOM 862 CD PRO A 55 73.987 5.554 9.629 1.00 0.00 C ATOM 0 HA PRO A 55 74.140 4.812 6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 55 76.399 4.105 7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.067 5.772 7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 55 75.803 4.430 10.067 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.090 6.122 9.713 1.00 0.00 H new ATOM 0 HD2 PRO A 55 73.579 5.001 10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 55 73.811 6.612 9.825 1.00 0.00 H new ATOM 870 N ALA A 56 73.546 2.451 8.462 1.00 0.00 N ATOM 871 CA ALA A 56 73.356 0.975 8.538 1.00 0.00 C ATOM 872 C ALA A 56 72.367 0.529 7.457 1.00 0.00 C ATOM 873 O ALA A 56 72.202 -0.648 7.203 1.00 0.00 O ATOM 874 CB ALA A 56 72.808 0.600 9.917 1.00 0.00 C ATOM 0 H ALA A 56 73.185 2.977 9.258 1.00 0.00 H new ATOM 0 HA ALA A 56 74.314 0.479 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 56 72.669 -0.480 9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 56 73.513 0.915 10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 56 71.851 1.097 10.076 1.00 0.00 H new ATOM 880 N CYS A 57 71.709 1.458 6.818 1.00 0.00 N ATOM 881 CA CYS A 57 70.733 1.081 5.755 1.00 0.00 C ATOM 882 C CYS A 57 70.958 1.957 4.520 1.00 0.00 C ATOM 883 O CYS A 57 71.154 3.152 4.623 1.00 0.00 O ATOM 884 CB CYS A 57 69.308 1.285 6.273 1.00 0.00 C ATOM 885 SG CYS A 57 68.824 -0.137 7.283 1.00 0.00 S ATOM 0 H CYS A 57 71.804 2.460 6.985 1.00 0.00 H new ATOM 0 HA CYS A 57 70.875 0.034 5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 57 69.252 2.200 6.863 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.619 1.402 5.437 1.00 0.00 H new ATOM 0 HG CYS A 57 69.882 -0.821 7.605 1.00 0.00 H new ATOM 891 N ASP A 58 70.933 1.372 3.352 1.00 0.00 N ATOM 892 CA ASP A 58 71.147 2.172 2.112 1.00 0.00 C ATOM 893 C ASP A 58 70.048 1.845 1.097 1.00 0.00 C ATOM 894 O ASP A 58 69.543 0.742 1.050 1.00 0.00 O ATOM 895 CB ASP A 58 72.514 1.827 1.515 1.00 0.00 C ATOM 896 CG ASP A 58 72.818 2.770 0.350 1.00 0.00 C ATOM 897 OD1 ASP A 58 73.404 3.812 0.595 1.00 0.00 O ATOM 898 OD2 ASP A 58 72.462 2.434 -0.768 1.00 0.00 O ATOM 0 H ASP A 58 70.774 0.376 3.204 1.00 0.00 H new ATOM 0 HA ASP A 58 71.113 3.234 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 73.288 1.914 2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 58 72.521 0.793 1.170 1.00 0.00 H new ATOM 903 N LEU A 59 69.674 2.796 0.283 1.00 0.00 N ATOM 904 CA LEU A 59 68.608 2.537 -0.726 1.00 0.00 C ATOM 905 C LEU A 59 68.866 3.378 -1.975 1.00 0.00 C ATOM 906 O LEU A 59 68.028 3.476 -2.850 1.00 0.00 O ATOM 907 CB LEU A 59 67.252 2.923 -0.142 1.00 0.00 C ATOM 908 CG LEU A 59 66.766 1.820 0.793 1.00 0.00 C ATOM 909 CD1 LEU A 59 67.210 2.129 2.224 1.00 0.00 C ATOM 910 CD2 LEU A 59 65.241 1.752 0.733 1.00 0.00 C ATOM 0 H LEU A 59 70.061 3.740 0.274 1.00 0.00 H new ATOM 0 HA LEU A 59 68.613 1.479 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 59 67.333 3.865 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 59 66.530 3.079 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 59 67.189 0.864 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.862 1.340 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 59 68.298 2.184 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 59 66.787 3.083 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 59 64.885 0.966 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 59 64.822 2.709 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.926 1.533 -0.287 1.00 0.00 H new ATOM 922 N THR A 60 70.012 3.988 -2.069 1.00 0.00 N ATOM 923 CA THR A 60 70.307 4.819 -3.263 1.00 0.00 C ATOM 924 C THR A 60 69.998 4.013 -4.523 1.00 0.00 C ATOM 925 O THR A 60 69.649 4.556 -5.553 1.00 0.00 O ATOM 926 CB THR A 60 71.783 5.212 -3.251 1.00 0.00 C ATOM 927 OG1 THR A 60 72.063 5.956 -2.070 1.00 0.00 O ATOM 928 CG2 THR A 60 72.085 6.057 -4.484 1.00 0.00 C ATOM 0 H THR A 60 70.755 3.947 -1.372 1.00 0.00 H new ATOM 0 HA THR A 60 69.694 5.720 -3.249 1.00 0.00 H new ATOM 0 HB THR A 60 72.407 4.318 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 60 73.010 6.208 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 60 73.137 6.341 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 60 71.867 5.480 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 60 71.467 6.955 -4.470 1.00 0.00 H new ATOM 936 N LEU A 61 70.121 2.718 -4.448 1.00 0.00 N ATOM 937 CA LEU A 61 69.835 1.868 -5.634 1.00 0.00 C ATOM 938 C LEU A 61 68.567 1.055 -5.381 1.00 0.00 C ATOM 939 O LEU A 61 68.051 0.400 -6.265 1.00 0.00 O ATOM 940 CB LEU A 61 71.014 0.921 -5.866 1.00 0.00 C ATOM 941 CG LEU A 61 72.162 1.676 -6.549 1.00 0.00 C ATOM 942 CD1 LEU A 61 71.891 1.761 -8.052 1.00 0.00 C ATOM 943 CD2 LEU A 61 72.276 3.094 -5.973 1.00 0.00 C ATOM 0 H LEU A 61 70.409 2.210 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 61 69.691 2.496 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 61 71.353 0.508 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 61 70.701 0.080 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 61 73.095 1.142 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 61 72.706 2.297 -8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 61 71.820 0.755 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 61 70.954 2.291 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 61 73.094 3.622 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 61 71.343 3.632 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 61 72.472 3.037 -4.902 1.00 0.00 H new ATOM 955 N PHE A 62 68.062 1.091 -4.180 1.00 0.00 N ATOM 956 CA PHE A 62 66.828 0.320 -3.870 1.00 0.00 C ATOM 957 C PHE A 62 65.694 0.791 -4.782 1.00 0.00 C ATOM 958 O PHE A 62 65.444 1.972 -4.920 1.00 0.00 O ATOM 959 CB PHE A 62 66.440 0.545 -2.407 1.00 0.00 C ATOM 960 CG PHE A 62 65.044 0.021 -2.170 1.00 0.00 C ATOM 961 CD1 PHE A 62 64.844 -1.331 -1.870 1.00 0.00 C ATOM 962 CD2 PHE A 62 63.950 0.889 -2.251 1.00 0.00 C ATOM 963 CE1 PHE A 62 63.549 -1.816 -1.653 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.655 0.406 -2.033 1.00 0.00 C ATOM 965 CZ PHE A 62 62.454 -0.947 -1.734 1.00 0.00 C ATOM 0 H PHE A 62 68.451 1.621 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 62 67.009 -0.742 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 62 67.147 0.038 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 62 66.487 1.607 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 62 65.689 -2.000 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 62 64.105 1.933 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 62 63.394 -2.860 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 62 61.811 1.077 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 62 61.455 -1.320 -1.566 1.00 0.00 H new ATOM 975 N ASP A 63 65.003 -0.123 -5.405 1.00 0.00 N ATOM 976 CA ASP A 63 63.886 0.274 -6.305 1.00 0.00 C ATOM 977 C ASP A 63 62.651 0.596 -5.464 1.00 0.00 C ATOM 978 O ASP A 63 62.122 -0.252 -4.775 1.00 0.00 O ATOM 979 CB ASP A 63 63.565 -0.878 -7.260 1.00 0.00 C ATOM 980 CG ASP A 63 63.931 -0.475 -8.689 1.00 0.00 C ATOM 981 OD1 ASP A 63 65.069 -0.092 -8.903 1.00 0.00 O ATOM 982 OD2 ASP A 63 63.066 -0.558 -9.546 1.00 0.00 O ATOM 0 H ASP A 63 65.164 -1.127 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 63 64.176 1.152 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 63 64.120 -1.770 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 63 62.506 -1.128 -7.202 1.00 0.00 H new ATOM 987 N PHE A 64 62.186 1.815 -5.513 1.00 0.00 N ATOM 988 CA PHE A 64 60.985 2.181 -4.711 1.00 0.00 C ATOM 989 C PHE A 64 59.742 1.573 -5.366 1.00 0.00 C ATOM 990 O PHE A 64 58.802 2.264 -5.705 1.00 0.00 O ATOM 991 CB PHE A 64 60.850 3.705 -4.657 1.00 0.00 C ATOM 992 CG PHE A 64 60.438 4.124 -3.264 1.00 0.00 C ATOM 993 CD1 PHE A 64 61.120 3.617 -2.151 1.00 0.00 C ATOM 994 CD2 PHE A 64 59.377 5.019 -3.086 1.00 0.00 C ATOM 995 CE1 PHE A 64 60.738 4.003 -0.861 1.00 0.00 C ATOM 996 CE2 PHE A 64 58.996 5.406 -1.795 1.00 0.00 C ATOM 997 CZ PHE A 64 59.677 4.898 -0.682 1.00 0.00 C ATOM 0 H PHE A 64 62.584 2.570 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 64 61.087 1.797 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 64 61.796 4.175 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 64 60.110 4.042 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 64 61.941 2.928 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 64 58.852 5.411 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 64 61.263 3.610 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 64 58.177 6.096 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 64 59.384 5.197 0.314 1.00 0.00 H new ATOM 1007 N LYS A 65 59.734 0.279 -5.544 1.00 0.00 N ATOM 1008 CA LYS A 65 58.562 -0.389 -6.175 1.00 0.00 C ATOM 1009 C LYS A 65 58.848 -1.888 -6.297 1.00 0.00 C ATOM 1010 O LYS A 65 57.996 -2.715 -6.042 1.00 0.00 O ATOM 1011 CB LYS A 65 58.314 0.204 -7.565 1.00 0.00 C ATOM 1012 CG LYS A 65 59.640 0.337 -8.318 1.00 0.00 C ATOM 1013 CD LYS A 65 59.611 1.602 -9.178 1.00 0.00 C ATOM 1014 CE LYS A 65 61.041 2.015 -9.532 1.00 0.00 C ATOM 1015 NZ LYS A 65 61.282 1.778 -10.983 1.00 0.00 N ATOM 0 H LYS A 65 60.494 -0.347 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 65 57.676 -0.232 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 65 57.630 -0.433 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 65 57.838 1.180 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 65 60.469 0.383 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 65 59.804 -0.539 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 65 59.038 1.422 -10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 65 59.111 2.408 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 65 61.196 3.067 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 65 61.754 1.445 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 62.254 2.059 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 61.150 0.769 -11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 60.610 2.341 -11.543 1.00 0.00 H new ATOM 1029 N GLN A 66 60.047 -2.244 -6.676 1.00 0.00 N ATOM 1030 CA GLN A 66 60.391 -3.690 -6.803 1.00 0.00 C ATOM 1031 C GLN A 66 60.726 -4.249 -5.418 1.00 0.00 C ATOM 1032 O GLN A 66 60.252 -5.298 -5.029 1.00 0.00 O ATOM 1033 CB GLN A 66 61.602 -3.852 -7.724 1.00 0.00 C ATOM 1034 CG GLN A 66 61.130 -3.938 -9.177 1.00 0.00 C ATOM 1035 CD GLN A 66 61.539 -5.289 -9.767 1.00 0.00 C ATOM 1036 OE1 GLN A 66 60.727 -6.186 -9.882 1.00 0.00 O ATOM 1037 NE2 GLN A 66 62.773 -5.473 -10.148 1.00 0.00 N ATOM 0 H GLN A 66 60.802 -1.597 -6.903 1.00 0.00 H new ATOM 0 HA GLN A 66 59.544 -4.231 -7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 66 62.282 -3.009 -7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 66 62.158 -4.751 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 66 60.048 -3.820 -9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 66 61.566 -3.127 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 66 63.454 -4.720 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 66 63.057 -6.370 -10.543 1.00 0.00 H new ATOM 1046 N GLY A 67 61.534 -3.551 -4.666 1.00 0.00 N ATOM 1047 CA GLY A 67 61.892 -4.037 -3.304 1.00 0.00 C ATOM 1048 C GLY A 67 63.309 -4.611 -3.307 1.00 0.00 C ATOM 1049 O GLY A 67 63.632 -5.489 -2.533 1.00 0.00 O ATOM 0 H GLY A 67 61.961 -2.665 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 67 61.824 -3.218 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 67 61.183 -4.800 -2.984 1.00 0.00 H new ATOM 1053 N ILE A 68 64.161 -4.128 -4.170 1.00 0.00 N ATOM 1054 CA ILE A 68 65.551 -4.660 -4.208 1.00 0.00 C ATOM 1055 C ILE A 68 66.538 -3.513 -4.443 1.00 0.00 C ATOM 1056 O ILE A 68 66.170 -2.448 -4.899 1.00 0.00 O ATOM 1057 CB ILE A 68 65.673 -5.678 -5.343 1.00 0.00 C ATOM 1058 CG1 ILE A 68 65.418 -4.979 -6.681 1.00 0.00 C ATOM 1059 CG2 ILE A 68 64.638 -6.788 -5.143 1.00 0.00 C ATOM 1060 CD1 ILE A 68 66.671 -5.070 -7.555 1.00 0.00 C ATOM 0 H ILE A 68 63.956 -3.392 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 68 65.780 -5.142 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 68 66.674 -6.109 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 68 64.573 -5.443 -7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 68 65.155 -3.935 -6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 68 64.723 -7.515 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 68 64.816 -7.284 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 68 63.637 -6.357 -5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 68 66.488 -4.572 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 68 67.505 -4.586 -7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 68 66.914 -6.117 -7.734 1.00 0.00 H new ATOM 1072 N LEU A 69 67.790 -3.726 -4.141 1.00 0.00 N ATOM 1073 CA LEU A 69 68.806 -2.657 -4.349 1.00 0.00 C ATOM 1074 C LEU A 69 70.117 -3.300 -4.803 1.00 0.00 C ATOM 1075 O LEU A 69 70.246 -4.507 -4.834 1.00 0.00 O ATOM 1076 CB LEU A 69 69.038 -1.909 -3.036 1.00 0.00 C ATOM 1077 CG LEU A 69 69.605 -2.876 -1.995 1.00 0.00 C ATOM 1078 CD1 LEU A 69 70.649 -2.156 -1.140 1.00 0.00 C ATOM 1079 CD2 LEU A 69 68.474 -3.377 -1.097 1.00 0.00 C ATOM 0 H LEU A 69 68.154 -4.598 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 69 68.453 -1.957 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 69 69.729 -1.081 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.102 -1.480 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 69 70.071 -3.720 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 69 71.052 -2.847 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 69 71.457 -1.797 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.184 -1.311 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.877 -4.066 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 69 68.009 -2.531 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.729 -3.892 -1.703 1.00 0.00 H new ATOM 1091 N CYS A 70 71.092 -2.509 -5.154 1.00 0.00 N ATOM 1092 CA CYS A 70 72.389 -3.090 -5.599 1.00 0.00 C ATOM 1093 C CYS A 70 73.496 -2.041 -5.474 1.00 0.00 C ATOM 1094 O CYS A 70 73.311 -0.995 -4.884 1.00 0.00 O ATOM 1095 CB CYS A 70 72.274 -3.537 -7.058 1.00 0.00 C ATOM 1096 SG CYS A 70 71.734 -2.140 -8.077 1.00 0.00 S ATOM 0 H CYS A 70 71.048 -1.490 -5.152 1.00 0.00 H new ATOM 0 HA CYS A 70 72.633 -3.948 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 70 73.235 -3.909 -7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 70 71.563 -4.359 -7.143 1.00 0.00 H new ATOM 0 HG CYS A 70 71.638 -2.519 -9.317 1.00 0.00 H new