USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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 17 SER OG : rot -93:sc= 2.32 USER MOD Set 1.2: A 48 THR OG1 : rot -33:sc= 1.26 USER MOD Single : A 6 THR OG1 : rot -81:sc= 1.33 USER MOD Single : A 7 THR OG1 : rot 130:sc= 0.0446 USER MOD Single : A 40 TYR OH : rot -152:sc= 0.385 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -107:sc= -2.37! (180deg=-3.76!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -79:sc= 0.213 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 79 ASN : amide:sc= 0.547 K(o=0.55,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.714 6.859 -3.303 1.00 0.89 N ATOM 45 CA LEU A 4 -9.019 6.033 -4.202 1.00 0.69 C ATOM 46 C LEU A 4 -7.559 6.212 -3.894 1.00 0.63 C ATOM 47 O LEU A 4 -7.167 7.209 -3.284 1.00 0.87 O ATOM 48 CB LEU A 4 -9.264 6.401 -5.656 1.00 0.83 C ATOM 49 CG LEU A 4 -8.680 5.438 -6.642 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.434 4.107 -6.610 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.596 6.021 -8.040 1.00 1.51 C ATOM 0 HA LEU A 4 -9.361 5.005 -4.081 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.339 6.469 -5.825 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.848 7.391 -5.843 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.651 5.242 -6.341 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -8.993 3.422 -7.334 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.365 3.674 -5.612 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.481 4.276 -6.861 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.166 5.283 -8.717 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.595 6.289 -8.383 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -7.967 6.911 -8.026 1.00 1.51 H new ATOM 63 N LEU A 5 -6.790 5.249 -4.237 1.00 0.49 N ATOM 64 CA LEU A 5 -5.394 5.299 -4.080 1.00 0.44 C ATOM 65 C LEU A 5 -4.764 5.148 -5.430 1.00 0.39 C ATOM 66 O LEU A 5 -5.079 4.194 -6.150 1.00 0.42 O ATOM 67 CB LEU A 5 -4.963 4.149 -3.189 1.00 0.47 C ATOM 68 CG LEU A 5 -5.394 4.234 -1.732 1.00 0.53 C ATOM 69 CD1 LEU A 5 -5.146 2.918 -1.034 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.638 5.346 -1.027 1.00 0.79 C ATOM 0 H LEU A 5 -7.129 4.379 -4.647 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.089 6.244 -3.630 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.356 3.223 -3.610 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.876 4.078 -3.222 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.461 4.454 -1.697 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.459 2.994 0.007 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.716 2.131 -1.528 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -4.084 2.678 -1.077 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -4.955 5.398 0.015 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.568 5.143 -1.072 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -4.848 6.297 -1.517 1.00 0.79 H new ATOM 82 N THR A 6 -3.958 6.091 -5.805 1.00 0.38 N ATOM 83 CA THR A 6 -3.178 5.965 -6.998 1.00 0.40 C ATOM 84 C THR A 6 -1.796 5.512 -6.566 1.00 0.34 C ATOM 85 O THR A 6 -1.573 5.345 -5.358 1.00 0.30 O ATOM 86 CB THR A 6 -3.069 7.309 -7.756 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.485 8.304 -6.893 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.437 7.782 -8.233 1.00 0.63 C ATOM 0 H THR A 6 -3.822 6.965 -5.297 1.00 0.38 H new ATOM 0 HA THR A 6 -3.649 5.254 -7.677 1.00 0.40 H new ATOM 0 HB THR A 6 -2.435 7.160 -8.630 1.00 0.51 H new ATOM 0 HG1 THR A 6 -3.174 8.666 -6.298 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.330 8.729 -8.762 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.866 7.037 -8.904 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.095 7.919 -7.374 1.00 0.63 H new ATOM 96 N THR A 7 -0.878 5.323 -7.488 1.00 0.37 N ATOM 97 CA THR A 7 0.483 4.978 -7.133 1.00 0.37 C ATOM 98 C THR A 7 1.107 6.080 -6.240 1.00 0.35 C ATOM 99 O THR A 7 1.907 5.796 -5.348 1.00 0.34 O ATOM 100 CB THR A 7 1.351 4.748 -8.384 1.00 0.48 C ATOM 101 OG1 THR A 7 0.670 3.847 -9.273 1.00 0.61 O ATOM 102 CG2 THR A 7 2.687 4.129 -7.995 1.00 0.56 C ATOM 0 H THR A 7 -1.048 5.402 -8.491 1.00 0.37 H new ATOM 0 HA THR A 7 0.452 4.044 -6.571 1.00 0.37 H new ATOM 0 HB THR A 7 1.525 5.707 -8.872 1.00 0.48 H new ATOM 0 HG1 THR A 7 0.654 4.228 -10.176 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.290 3.972 -8.890 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.214 4.798 -7.315 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.515 3.173 -7.501 1.00 0.56 H new ATOM 110 N ASP A 8 0.684 7.327 -6.469 1.00 0.43 N ATOM 111 CA ASP A 8 1.193 8.483 -5.724 1.00 0.50 C ATOM 112 C ASP A 8 0.682 8.427 -4.290 1.00 0.44 C ATOM 113 O ASP A 8 1.455 8.550 -3.332 1.00 0.46 O ATOM 114 CB ASP A 8 0.741 9.792 -6.399 1.00 0.67 C ATOM 115 CG ASP A 8 1.424 11.036 -5.846 1.00 1.08 C ATOM 116 OD1 ASP A 8 1.064 11.511 -4.749 1.00 1.65 O ATOM 117 OD2 ASP A 8 2.326 11.590 -6.533 1.00 1.26 O ATOM 0 H ASP A 8 -0.017 7.563 -7.172 1.00 0.43 H new ATOM 0 HA ASP A 8 2.283 8.456 -5.719 1.00 0.50 H new ATOM 0 HB2 ASP A 8 0.939 9.725 -7.469 1.00 0.67 H new ATOM 0 HB3 ASP A 8 -0.337 9.898 -6.280 1.00 0.67 H new ATOM 122 N ASP A 9 -0.626 8.166 -4.151 1.00 0.42 N ATOM 123 CA ASP A 9 -1.276 8.058 -2.824 1.00 0.42 C ATOM 124 C ASP A 9 -0.710 6.881 -2.082 1.00 0.40 C ATOM 125 O ASP A 9 -0.480 6.936 -0.869 1.00 0.45 O ATOM 126 CB ASP A 9 -2.798 7.810 -2.923 1.00 0.46 C ATOM 127 CG ASP A 9 -3.602 8.894 -3.571 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.912 9.895 -2.887 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.895 8.798 -4.785 1.00 1.41 O ATOM 0 H ASP A 9 -1.260 8.025 -4.938 1.00 0.42 H new ATOM 0 HA ASP A 9 -1.092 9.005 -2.317 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.959 6.885 -3.477 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.186 7.650 -1.917 1.00 0.46 H new ATOM 134 N LEU A 10 -0.486 5.813 -2.823 1.00 0.37 N ATOM 135 CA LEU A 10 0.003 4.581 -2.276 1.00 0.36 C ATOM 136 C LEU A 10 1.410 4.794 -1.745 1.00 0.36 C ATOM 137 O LEU A 10 1.687 4.497 -0.590 1.00 0.41 O ATOM 138 CB LEU A 10 0.017 3.498 -3.357 1.00 0.35 C ATOM 139 CG LEU A 10 0.099 2.066 -2.858 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.193 1.695 -2.145 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.388 1.108 -4.003 1.00 0.37 C ATOM 0 H LEU A 10 -0.643 5.785 -3.831 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.650 4.260 -1.465 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.885 3.601 -3.960 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.864 3.682 -4.017 1.00 0.35 H new ATOM 0 HG LEU A 10 0.923 1.986 -2.149 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.130 0.667 -1.789 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.346 2.364 -1.298 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.030 1.788 -2.837 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.442 0.089 -3.620 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.409 1.176 -4.744 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.338 1.372 -4.467 1.00 0.37 H new ATOM 153 N ARG A 11 2.272 5.360 -2.587 1.00 0.36 N ATOM 154 CA ARG A 11 3.669 5.625 -2.248 1.00 0.38 C ATOM 155 C ARG A 11 3.796 6.400 -0.946 1.00 0.39 C ATOM 156 O ARG A 11 4.662 6.089 -0.121 1.00 0.41 O ATOM 157 CB ARG A 11 4.362 6.352 -3.389 1.00 0.42 C ATOM 158 CG ARG A 11 5.830 6.647 -3.158 1.00 0.52 C ATOM 159 CD ARG A 11 6.471 7.184 -4.418 1.00 0.71 C ATOM 160 NE ARG A 11 5.886 8.446 -4.877 1.00 1.21 N ATOM 161 CZ ARG A 11 5.119 8.595 -5.959 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.780 7.548 -6.690 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.709 9.792 -6.315 1.00 2.46 N ATOM 0 H ARG A 11 2.019 5.650 -3.532 1.00 0.36 H new ATOM 0 HA ARG A 11 4.164 4.666 -2.098 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.265 5.753 -4.295 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.841 7.292 -3.571 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.938 7.372 -2.351 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.343 5.739 -2.841 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.537 7.329 -4.241 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.378 6.440 -5.209 1.00 0.71 H new ATOM 0 HE ARG A 11 6.081 9.280 -4.324 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.105 6.617 -6.429 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.193 7.671 -7.515 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.977 10.608 -5.764 1.00 2.46 H new ATOM 0 HH22 ARG A 11 4.123 9.905 -7.142 1.00 2.46 H new ATOM 177 N ARG A 12 2.910 7.380 -0.752 1.00 0.42 N ATOM 178 CA ARG A 12 2.867 8.149 0.483 1.00 0.47 C ATOM 179 C ARG A 12 2.741 7.222 1.688 1.00 0.43 C ATOM 180 O ARG A 12 3.597 7.235 2.585 1.00 0.48 O ATOM 181 CB ARG A 12 1.693 9.135 0.484 1.00 0.60 C ATOM 182 CG ARG A 12 1.473 9.795 1.841 1.00 1.18 C ATOM 183 CD ARG A 12 0.218 10.626 1.869 1.00 1.47 C ATOM 184 NE ARG A 12 -0.138 11.008 3.240 1.00 2.25 N ATOM 185 CZ ARG A 12 -1.116 11.847 3.576 1.00 2.83 C ATOM 186 NH1 ARG A 12 -1.726 12.574 2.649 1.00 2.60 N ATOM 187 NH2 ARG A 12 -1.450 11.987 4.852 1.00 3.93 N ATOM 0 H ARG A 12 2.211 7.657 -1.442 1.00 0.42 H new ATOM 0 HA ARG A 12 3.799 8.710 0.549 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.873 9.907 -0.265 1.00 0.60 H new ATOM 0 HB3 ARG A 12 0.784 8.610 0.189 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.416 9.027 2.612 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.330 10.425 2.081 1.00 1.18 H new ATOM 0 HD2 ARG A 12 0.359 11.522 1.265 1.00 1.47 H new ATOM 0 HD3 ARG A 12 -0.602 10.065 1.421 1.00 1.47 H new ATOM 0 HE ARG A 12 0.408 10.598 3.997 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -1.447 12.492 1.671 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -2.474 13.215 2.914 1.00 2.60 H new ATOM 0 HH21 ARG A 12 -0.959 11.454 5.569 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -2.198 12.628 5.116 1.00 3.93 H new ATOM 201 N ALA A 13 1.722 6.372 1.652 1.00 0.40 N ATOM 202 CA ALA A 13 1.401 5.478 2.749 1.00 0.42 C ATOM 203 C ALA A 13 2.542 4.510 3.034 1.00 0.41 C ATOM 204 O ALA A 13 2.849 4.240 4.204 1.00 0.50 O ATOM 205 CB ALA A 13 0.111 4.725 2.460 1.00 0.45 C ATOM 0 H ALA A 13 1.093 6.286 0.854 1.00 0.40 H new ATOM 0 HA ALA A 13 1.257 6.084 3.643 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.116 4.059 3.292 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.705 5.437 2.332 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.228 4.139 1.548 1.00 0.45 H new ATOM 211 N LEU A 14 3.189 4.018 1.979 1.00 0.38 N ATOM 212 CA LEU A 14 4.326 3.124 2.130 1.00 0.46 C ATOM 213 C LEU A 14 5.484 3.819 2.851 1.00 0.54 C ATOM 214 O LEU A 14 6.000 3.301 3.842 1.00 0.69 O ATOM 215 CB LEU A 14 4.807 2.572 0.765 1.00 0.48 C ATOM 216 CG LEU A 14 4.052 1.371 0.142 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.135 0.142 1.019 1.00 1.21 C ATOM 218 CD2 LEU A 14 2.611 1.678 -0.180 1.00 1.44 C ATOM 0 H LEU A 14 2.942 4.226 1.011 1.00 0.38 H new ATOM 0 HA LEU A 14 3.990 2.283 2.737 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.775 3.391 0.047 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.853 2.285 0.874 1.00 0.48 H new ATOM 0 HG LEU A 14 4.559 1.167 -0.801 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.594 -0.678 0.548 1.00 1.21 H new ATOM 0 HD12 LEU A 14 5.179 -0.141 1.151 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.692 0.358 1.991 1.00 1.21 H new ATOM 0 HD21 LEU A 14 2.139 0.796 -0.613 1.00 1.44 H new ATOM 0 HD22 LEU A 14 2.086 1.959 0.733 1.00 1.44 H new ATOM 0 HD23 LEU A 14 2.565 2.501 -0.893 1.00 1.44 H new ATOM 230 N VAL A 15 5.868 4.999 2.383 1.00 0.53 N ATOM 231 CA VAL A 15 6.994 5.733 2.982 1.00 0.63 C ATOM 232 C VAL A 15 6.697 6.127 4.446 1.00 0.66 C ATOM 233 O VAL A 15 7.598 6.126 5.306 1.00 0.80 O ATOM 234 CB VAL A 15 7.389 6.984 2.139 1.00 0.67 C ATOM 235 CG1 VAL A 15 8.564 7.735 2.763 1.00 0.76 C ATOM 236 CG2 VAL A 15 7.734 6.579 0.714 1.00 0.71 C ATOM 0 H VAL A 15 5.425 5.473 1.596 1.00 0.53 H new ATOM 0 HA VAL A 15 7.848 5.056 2.982 1.00 0.63 H new ATOM 0 HB VAL A 15 6.528 7.653 2.125 1.00 0.67 H new ATOM 0 HG11 VAL A 15 8.811 8.600 2.148 1.00 0.76 H new ATOM 0 HG12 VAL A 15 8.292 8.068 3.765 1.00 0.76 H new ATOM 0 HG13 VAL A 15 9.428 7.074 2.822 1.00 0.76 H new ATOM 0 HG21 VAL A 15 8.007 7.464 0.140 1.00 0.71 H new ATOM 0 HG22 VAL A 15 8.572 5.882 0.727 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.870 6.100 0.253 1.00 0.71 H new ATOM 246 N GLU A 16 5.442 6.436 4.732 1.00 0.62 N ATOM 247 CA GLU A 16 5.031 6.775 6.091 1.00 0.71 C ATOM 248 C GLU A 16 5.229 5.593 7.040 1.00 0.74 C ATOM 249 O GLU A 16 5.849 5.721 8.106 1.00 0.89 O ATOM 250 CB GLU A 16 3.571 7.188 6.144 1.00 0.79 C ATOM 251 CG GLU A 16 3.212 8.435 5.379 1.00 0.87 C ATOM 252 CD GLU A 16 1.761 8.815 5.577 1.00 1.20 C ATOM 253 OE1 GLU A 16 0.996 8.037 6.183 1.00 2.05 O ATOM 254 OE2 GLU A 16 1.361 9.919 5.163 1.00 1.38 O ATOM 0 H GLU A 16 4.689 6.460 4.044 1.00 0.62 H new ATOM 0 HA GLU A 16 5.658 7.610 6.404 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.967 6.365 5.763 1.00 0.79 H new ATOM 0 HB3 GLU A 16 3.292 7.332 7.188 1.00 0.79 H new ATOM 0 HG2 GLU A 16 3.851 9.257 5.702 1.00 0.87 H new ATOM 0 HG3 GLU A 16 3.406 8.279 4.318 1.00 0.87 H new ATOM 261 N SER A 17 4.740 4.444 6.623 1.00 0.68 N ATOM 262 CA SER A 17 4.748 3.258 7.454 1.00 0.77 C ATOM 263 C SER A 17 6.088 2.521 7.426 1.00 0.89 C ATOM 264 O SER A 17 6.314 1.600 8.213 1.00 1.15 O ATOM 265 CB SER A 17 3.585 2.349 7.065 1.00 0.73 C ATOM 266 OG SER A 17 3.530 2.155 5.659 1.00 1.39 O ATOM 0 H SER A 17 4.327 4.306 5.701 1.00 0.68 H new ATOM 0 HA SER A 17 4.615 3.574 8.489 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.691 1.385 7.563 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.648 2.785 7.411 1.00 0.73 H new ATOM 0 HG SER A 17 2.927 2.817 5.261 1.00 1.39 H new ATOM 400 N ASP A 29 6.155 4.990 -10.169 1.00 0.70 N ATOM 401 CA ASP A 29 5.561 3.684 -10.039 1.00 0.64 C ATOM 402 C ASP A 29 6.606 2.715 -9.584 1.00 0.55 C ATOM 403 O ASP A 29 7.695 2.640 -10.156 1.00 0.74 O ATOM 404 CB ASP A 29 4.891 3.203 -11.333 1.00 0.80 C ATOM 405 CG ASP A 29 3.674 4.018 -11.713 1.00 1.29 C ATOM 406 OD1 ASP A 29 2.556 3.678 -11.274 1.00 1.68 O ATOM 407 OD2 ASP A 29 3.803 5.017 -12.462 1.00 2.07 O ATOM 0 HA ASP A 29 4.766 3.748 -9.297 1.00 0.64 H new ATOM 0 HB2 ASP A 29 5.616 3.243 -12.146 1.00 0.80 H new ATOM 0 HB3 ASP A 29 4.599 2.159 -11.217 1.00 0.80 H new ATOM 412 N PHE A 30 6.317 2.029 -8.525 1.00 0.39 N ATOM 413 CA PHE A 30 7.241 1.072 -7.947 1.00 0.34 C ATOM 414 C PHE A 30 6.566 -0.280 -7.874 1.00 0.31 C ATOM 415 O PHE A 30 6.994 -1.160 -7.161 1.00 0.31 O ATOM 416 CB PHE A 30 7.700 1.549 -6.538 1.00 0.35 C ATOM 417 CG PHE A 30 6.602 1.670 -5.490 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.703 2.728 -5.509 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.497 0.731 -4.473 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.723 2.842 -4.542 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.515 0.838 -3.501 1.00 0.38 C ATOM 422 CZ PHE A 30 4.629 1.896 -3.537 1.00 0.42 C ATOM 0 H PHE A 30 5.432 2.108 -8.025 1.00 0.39 H new ATOM 0 HA PHE A 30 8.130 0.990 -8.573 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.455 0.855 -6.168 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.184 2.520 -6.644 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.771 3.471 -6.290 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.191 -0.096 -4.439 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.030 3.670 -4.571 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.443 0.097 -2.719 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.863 1.985 -2.781 1.00 0.42 H new ATOM 432 N LEU A 31 5.510 -0.423 -8.667 1.00 0.31 N ATOM 433 CA LEU A 31 4.654 -1.616 -8.693 1.00 0.31 C ATOM 434 C LEU A 31 5.402 -2.930 -8.908 1.00 0.31 C ATOM 435 O LEU A 31 4.895 -3.980 -8.540 1.00 0.35 O ATOM 436 CB LEU A 31 3.555 -1.503 -9.734 1.00 0.33 C ATOM 437 CG LEU A 31 2.652 -0.268 -9.677 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.507 -0.443 -10.633 1.00 0.39 C ATOM 439 CD2 LEU A 31 2.128 -0.014 -8.270 1.00 0.32 C ATOM 0 H LEU A 31 5.214 0.298 -9.325 1.00 0.31 H new ATOM 0 HA LEU A 31 4.223 -1.649 -7.692 1.00 0.31 H new ATOM 0 HB2 LEU A 31 4.020 -1.534 -10.719 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.922 -2.387 -9.652 1.00 0.33 H new ATOM 0 HG LEU A 31 3.245 0.600 -9.964 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.863 0.435 -10.594 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.893 -0.565 -11.645 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.933 -1.327 -10.355 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.492 0.871 -8.273 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.550 -0.876 -7.936 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.967 0.145 -7.592 1.00 0.32 H new ATOM 451 N ASP A 32 6.575 -2.871 -9.495 1.00 0.31 N ATOM 452 CA ASP A 32 7.319 -4.081 -9.812 1.00 0.37 C ATOM 453 C ASP A 32 8.256 -4.437 -8.681 1.00 0.37 C ATOM 454 O ASP A 32 8.618 -5.601 -8.502 1.00 0.45 O ATOM 455 CB ASP A 32 8.115 -3.887 -11.104 1.00 0.48 C ATOM 456 CG ASP A 32 8.777 -5.157 -11.587 1.00 1.29 C ATOM 457 OD1 ASP A 32 8.130 -5.963 -12.297 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.962 -5.382 -11.230 1.00 1.83 O ATOM 0 H ASP A 32 7.039 -2.003 -9.764 1.00 0.31 H new ATOM 0 HA ASP A 32 6.609 -4.897 -9.949 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.449 -3.513 -11.882 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.878 -3.125 -10.943 1.00 0.48 H new ATOM 463 N LEU A 33 8.593 -3.448 -7.885 1.00 0.35 N ATOM 464 CA LEU A 33 9.503 -3.631 -6.781 1.00 0.37 C ATOM 465 C LEU A 33 8.743 -4.295 -5.662 1.00 0.34 C ATOM 466 O LEU A 33 7.804 -3.710 -5.108 1.00 0.40 O ATOM 467 CB LEU A 33 10.042 -2.274 -6.302 1.00 0.41 C ATOM 468 CG LEU A 33 10.702 -1.388 -7.363 1.00 0.51 C ATOM 469 CD1 LEU A 33 11.177 -0.085 -6.748 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.858 -2.106 -8.031 1.00 1.27 C ATOM 0 H LEU A 33 8.243 -2.495 -7.986 1.00 0.35 H new ATOM 0 HA LEU A 33 10.348 -4.245 -7.092 1.00 0.37 H new ATOM 0 HB2 LEU A 33 9.217 -1.717 -5.857 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.768 -2.456 -5.509 1.00 0.41 H new ATOM 0 HG LEU A 33 9.955 -1.164 -8.125 1.00 0.51 H new ATOM 0 HD11 LEU A 33 11.643 0.531 -7.517 1.00 1.37 H new ATOM 0 HD12 LEU A 33 10.327 0.448 -6.322 1.00 1.37 H new ATOM 0 HD13 LEU A 33 11.903 -0.297 -5.963 1.00 1.37 H new ATOM 0 HD21 LEU A 33 12.308 -1.454 -8.780 1.00 1.27 H new ATOM 0 HD22 LEU A 33 12.605 -2.368 -7.282 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.493 -3.013 -8.513 1.00 1.27 H new ATOM 482 N ARG A 34 9.112 -5.509 -5.338 1.00 0.33 N ATOM 483 CA ARG A 34 8.396 -6.234 -4.327 1.00 0.34 C ATOM 484 C ARG A 34 8.768 -5.705 -2.965 1.00 0.29 C ATOM 485 O ARG A 34 9.916 -5.290 -2.742 1.00 0.34 O ATOM 486 CB ARG A 34 8.650 -7.739 -4.406 1.00 0.47 C ATOM 487 CG ARG A 34 8.351 -8.353 -5.764 1.00 0.61 C ATOM 488 CD ARG A 34 8.289 -9.857 -5.670 1.00 1.10 C ATOM 489 NE ARG A 34 8.183 -10.511 -6.976 1.00 1.91 N ATOM 490 CZ ARG A 34 7.607 -11.713 -7.180 1.00 3.03 C ATOM 491 NH1 ARG A 34 6.989 -12.346 -6.169 1.00 3.63 N ATOM 492 NH2 ARG A 34 7.640 -12.274 -8.384 1.00 3.94 N ATOM 0 H ARG A 34 9.896 -6.009 -5.756 1.00 0.33 H new ATOM 0 HA ARG A 34 7.330 -6.083 -4.499 1.00 0.34 H new ATOM 0 HB2 ARG A 34 9.692 -7.933 -4.154 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.041 -8.239 -3.652 1.00 0.47 H new ATOM 0 HG2 ARG A 34 7.403 -7.968 -6.141 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.121 -8.060 -6.478 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.181 -10.220 -5.160 1.00 1.10 H new ATOM 0 HD3 ARG A 34 7.434 -10.142 -5.057 1.00 1.10 H new ATOM 0 HE ARG A 34 8.571 -10.025 -7.785 1.00 1.91 H new ATOM 0 HH11 ARG A 34 6.955 -11.917 -5.244 1.00 3.63 H new ATOM 0 HH12 ARG A 34 6.554 -13.255 -6.326 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.102 -11.795 -9.157 1.00 3.94 H new ATOM 0 HH22 ARG A 34 7.203 -13.183 -8.535 1.00 3.94 H new ATOM 506 N PHE A 35 7.810 -5.727 -2.053 1.00 0.25 N ATOM 507 CA PHE A 35 7.979 -5.161 -0.716 1.00 0.24 C ATOM 508 C PHE A 35 9.187 -5.754 -0.011 1.00 0.27 C ATOM 509 O PHE A 35 9.967 -5.030 0.610 1.00 0.29 O ATOM 510 CB PHE A 35 6.723 -5.356 0.126 1.00 0.26 C ATOM 511 CG PHE A 35 5.481 -4.862 -0.532 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.232 -3.508 -0.676 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.559 -5.756 -0.999 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.076 -3.075 -1.291 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.413 -5.335 -1.607 1.00 0.32 C ATOM 516 CZ PHE A 35 3.165 -4.004 -1.754 1.00 0.35 C ATOM 0 H PHE A 35 6.890 -6.137 -2.215 1.00 0.25 H new ATOM 0 HA PHE A 35 8.149 -4.091 -0.836 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.608 -6.416 0.351 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.850 -4.840 1.078 1.00 0.26 H new ATOM 0 HD1 PHE A 35 5.946 -2.788 -0.305 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.741 -6.814 -0.885 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.885 -2.019 -1.409 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.700 -6.059 -1.973 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.255 -3.675 -2.233 1.00 0.35 H new ATOM 526 N GLU A 36 9.366 -7.064 -0.170 1.00 0.37 N ATOM 527 CA GLU A 36 10.492 -7.791 0.412 1.00 0.47 C ATOM 528 C GLU A 36 11.839 -7.176 0.002 1.00 0.46 C ATOM 529 O GLU A 36 12.772 -7.092 0.806 1.00 0.51 O ATOM 530 CB GLU A 36 10.456 -9.274 0.003 1.00 0.64 C ATOM 531 CG GLU A 36 10.511 -9.513 -1.501 1.00 1.56 C ATOM 532 CD GLU A 36 10.674 -10.966 -1.853 1.00 2.12 C ATOM 533 OE1 GLU A 36 11.821 -11.456 -1.869 1.00 2.79 O ATOM 534 OE2 GLU A 36 9.670 -11.639 -2.133 1.00 2.45 O ATOM 0 H GLU A 36 8.731 -7.653 -0.709 1.00 0.37 H new ATOM 0 HA GLU A 36 10.396 -7.714 1.495 1.00 0.47 H new ATOM 0 HB2 GLU A 36 11.295 -9.788 0.471 1.00 0.64 H new ATOM 0 HB3 GLU A 36 9.546 -9.725 0.397 1.00 0.64 H new ATOM 0 HG2 GLU A 36 9.598 -9.133 -1.959 1.00 1.56 H new ATOM 0 HG3 GLU A 36 11.340 -8.946 -1.925 1.00 1.56 H new ATOM 541 N ASP A 37 11.901 -6.670 -1.217 1.00 0.44 N ATOM 542 CA ASP A 37 13.136 -6.163 -1.762 1.00 0.50 C ATOM 543 C ASP A 37 13.390 -4.765 -1.265 1.00 0.48 C ATOM 544 O ASP A 37 14.520 -4.411 -0.955 1.00 0.60 O ATOM 545 CB ASP A 37 13.115 -6.186 -3.287 1.00 0.57 C ATOM 546 CG ASP A 37 14.440 -5.768 -3.879 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.339 -6.626 -4.003 1.00 0.74 O ATOM 548 OD2 ASP A 37 14.613 -4.597 -4.213 1.00 0.88 O ATOM 0 H ASP A 37 11.102 -6.602 -1.847 1.00 0.44 H new ATOM 0 HA ASP A 37 13.945 -6.811 -1.426 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.865 -7.190 -3.631 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.331 -5.521 -3.649 1.00 0.57 H new ATOM 553 N ILE A 38 12.330 -4.006 -1.080 1.00 0.40 N ATOM 554 CA ILE A 38 12.460 -2.628 -0.623 1.00 0.42 C ATOM 555 C ILE A 38 12.415 -2.493 0.907 1.00 0.42 C ATOM 556 O ILE A 38 12.253 -1.396 1.436 1.00 0.50 O ATOM 557 CB ILE A 38 11.455 -1.648 -1.306 1.00 0.47 C ATOM 558 CG1 ILE A 38 10.020 -2.210 -1.273 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.896 -1.312 -2.729 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.972 -1.301 -1.888 1.00 0.60 C ATOM 0 H ILE A 38 11.370 -4.313 -1.237 1.00 0.40 H new ATOM 0 HA ILE A 38 13.458 -2.327 -0.943 1.00 0.42 H new ATOM 0 HB ILE A 38 11.453 -0.718 -0.737 1.00 0.47 H new ATOM 0 HG12 ILE A 38 10.006 -3.166 -1.797 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.746 -2.410 -0.237 1.00 0.47 H new ATOM 0 HG21 ILE A 38 11.178 -0.628 -3.181 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.879 -0.841 -2.704 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.947 -2.227 -3.320 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.993 -1.776 -1.821 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.952 -0.353 -1.351 1.00 0.60 H new ATOM 0 HD13 ILE A 38 9.216 -1.120 -2.935 1.00 0.60 H new ATOM 572 N GLY A 39 12.634 -3.607 1.600 1.00 0.42 N ATOM 573 CA GLY A 39 12.782 -3.579 3.050 1.00 0.50 C ATOM 574 C GLY A 39 11.482 -3.645 3.815 1.00 0.47 C ATOM 575 O GLY A 39 11.449 -3.386 5.030 1.00 0.66 O ATOM 0 H GLY A 39 12.712 -4.535 1.183 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.411 -4.416 3.354 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.308 -2.667 3.331 1.00 0.50 H new ATOM 579 N TYR A 40 10.428 -4.007 3.143 1.00 0.36 N ATOM 580 CA TYR A 40 9.130 -4.097 3.758 1.00 0.36 C ATOM 581 C TYR A 40 8.772 -5.517 4.075 1.00 0.42 C ATOM 582 O TYR A 40 8.648 -6.354 3.175 1.00 0.59 O ATOM 583 CB TYR A 40 8.044 -3.535 2.852 1.00 0.36 C ATOM 584 CG TYR A 40 8.017 -2.050 2.700 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.989 -1.382 1.983 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.996 -1.316 3.265 1.00 0.64 C ATOM 587 CE1 TYR A 40 8.950 -0.021 1.832 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.937 0.041 3.119 1.00 0.90 C ATOM 589 CZ TYR A 40 7.926 0.690 2.395 1.00 1.04 C ATOM 590 OH TYR A 40 7.884 2.046 2.234 1.00 1.33 O ATOM 0 H TYR A 40 10.441 -4.249 2.152 1.00 0.36 H new ATOM 0 HA TYR A 40 9.187 -3.513 4.676 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.159 -3.979 1.863 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.076 -3.858 3.236 1.00 0.36 H new ATOM 0 HD1 TYR A 40 9.795 -1.942 1.533 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.230 -1.822 3.833 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.722 0.487 1.273 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.128 0.603 3.563 1.00 0.90 H new ATOM 0 HH TYR A 40 7.420 2.452 2.996 1.00 1.33 H new ATOM 600 N ASP A 41 8.646 -5.807 5.326 1.00 0.42 N ATOM 601 CA ASP A 41 8.102 -7.070 5.745 1.00 0.51 C ATOM 602 C ASP A 41 6.628 -6.895 5.800 1.00 0.44 C ATOM 603 O ASP A 41 6.147 -5.758 5.960 1.00 0.38 O ATOM 604 CB ASP A 41 8.586 -7.493 7.125 1.00 0.67 C ATOM 605 CG ASP A 41 10.056 -7.789 7.205 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.852 -6.856 7.391 1.00 0.99 O ATOM 607 OD2 ASP A 41 10.449 -8.974 7.062 1.00 1.06 O ATOM 0 H ASP A 41 8.913 -5.185 6.089 1.00 0.42 H new ATOM 0 HA ASP A 41 8.420 -7.842 5.044 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.348 -6.703 7.838 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.032 -8.379 7.435 1.00 0.67 H new ATOM 612 N SER A 42 5.909 -7.965 5.652 1.00 0.51 N ATOM 613 CA SER A 42 4.472 -7.962 5.724 1.00 0.48 C ATOM 614 C SER A 42 3.918 -7.275 6.999 1.00 0.41 C ATOM 615 O SER A 42 2.833 -6.711 6.972 1.00 0.37 O ATOM 616 CB SER A 42 3.956 -9.375 5.543 1.00 0.59 C ATOM 617 OG SER A 42 4.560 -10.275 6.464 1.00 1.03 O ATOM 0 H SER A 42 6.309 -8.886 5.474 1.00 0.51 H new ATOM 0 HA SER A 42 4.095 -7.347 4.907 1.00 0.48 H new ATOM 0 HB2 SER A 42 2.874 -9.388 5.677 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.155 -9.708 4.524 1.00 0.59 H new ATOM 0 HG SER A 42 4.204 -11.177 6.321 1.00 1.03 H new ATOM 623 N LEU A 43 4.696 -7.292 8.089 1.00 0.45 N ATOM 624 CA LEU A 43 4.308 -6.640 9.336 1.00 0.46 C ATOM 625 C LEU A 43 4.216 -5.124 9.105 1.00 0.41 C ATOM 626 O LEU A 43 3.160 -4.531 9.305 1.00 0.41 O ATOM 627 CB LEU A 43 5.336 -6.991 10.454 1.00 0.59 C ATOM 628 CG LEU A 43 5.031 -6.579 11.931 1.00 0.75 C ATOM 629 CD1 LEU A 43 5.064 -5.072 12.160 1.00 1.56 C ATOM 630 CD2 LEU A 43 3.703 -7.154 12.390 1.00 1.24 C ATOM 0 H LEU A 43 5.604 -7.755 8.127 1.00 0.45 H new ATOM 0 HA LEU A 43 3.330 -6.996 9.661 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.481 -8.071 10.439 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.288 -6.538 10.178 1.00 0.59 H new ATOM 0 HG LEU A 43 5.835 -7.002 12.533 1.00 0.75 H new ATOM 0 HD11 LEU A 43 4.844 -4.858 13.206 1.00 1.56 H new ATOM 0 HD12 LEU A 43 6.053 -4.688 11.912 1.00 1.56 H new ATOM 0 HD13 LEU A 43 4.319 -4.591 11.526 1.00 1.56 H new ATOM 0 HD21 LEU A 43 3.513 -6.854 13.420 1.00 1.24 H new ATOM 0 HD22 LEU A 43 2.904 -6.780 11.750 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.737 -8.242 12.330 1.00 1.24 H new ATOM 642 N ALA A 44 5.317 -4.518 8.658 1.00 0.39 N ATOM 643 CA ALA A 44 5.363 -3.075 8.375 1.00 0.39 C ATOM 644 C ALA A 44 4.370 -2.718 7.282 1.00 0.34 C ATOM 645 O ALA A 44 3.729 -1.674 7.322 1.00 0.40 O ATOM 646 CB ALA A 44 6.764 -2.665 7.951 1.00 0.43 C ATOM 0 H ALA A 44 6.196 -5.004 8.482 1.00 0.39 H new ATOM 0 HA ALA A 44 5.096 -2.538 9.285 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.783 -1.595 7.745 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.468 -2.893 8.752 1.00 0.43 H new ATOM 0 HB3 ALA A 44 7.047 -3.213 7.052 1.00 0.43 H new ATOM 652 N LEU A 45 4.227 -3.625 6.339 1.00 0.29 N ATOM 653 CA LEU A 45 3.316 -3.469 5.221 1.00 0.28 C ATOM 654 C LEU A 45 1.853 -3.379 5.709 1.00 0.25 C ATOM 655 O LEU A 45 1.023 -2.680 5.119 1.00 0.26 O ATOM 656 CB LEU A 45 3.506 -4.652 4.265 1.00 0.30 C ATOM 657 CG LEU A 45 2.616 -4.709 3.030 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.794 -3.469 2.182 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.947 -5.946 2.225 1.00 0.38 C ATOM 0 H LEU A 45 4.746 -4.503 6.326 1.00 0.29 H new ATOM 0 HA LEU A 45 3.537 -2.539 4.697 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.544 -4.652 3.932 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.354 -5.570 4.832 1.00 0.30 H new ATOM 0 HG LEU A 45 1.575 -4.753 3.349 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.149 -3.532 1.306 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.528 -2.588 2.766 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.833 -3.393 1.863 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.310 -5.986 1.341 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.992 -5.911 1.918 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.778 -6.833 2.835 1.00 0.38 H new ATOM 671 N MET A 46 1.534 -4.085 6.784 1.00 0.24 N ATOM 672 CA MET A 46 0.196 -3.997 7.345 1.00 0.23 C ATOM 673 C MET A 46 -0.098 -2.622 7.901 1.00 0.25 C ATOM 674 O MET A 46 -1.222 -2.204 7.881 1.00 0.27 O ATOM 675 CB MET A 46 -0.125 -5.070 8.377 1.00 0.27 C ATOM 676 CG MET A 46 -0.119 -6.479 7.827 1.00 0.34 C ATOM 677 SD MET A 46 -0.553 -7.712 9.061 1.00 0.50 S ATOM 678 CE MET A 46 0.746 -7.454 10.263 1.00 1.49 C ATOM 0 H MET A 46 2.170 -4.713 7.276 1.00 0.24 H new ATOM 0 HA MET A 46 -0.465 -4.182 6.499 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.599 -5.006 9.189 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.105 -4.864 8.807 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.820 -6.542 6.995 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.870 -6.704 7.428 1.00 0.34 H new ATOM 0 HE1 MET A 46 1.455 -8.280 10.215 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.263 -6.519 10.045 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.313 -7.405 11.262 1.00 1.49 H new ATOM 688 N GLU A 47 0.931 -1.906 8.381 1.00 0.29 N ATOM 689 CA GLU A 47 0.738 -0.543 8.914 1.00 0.34 C ATOM 690 C GLU A 47 0.305 0.391 7.783 1.00 0.32 C ATOM 691 O GLU A 47 -0.426 1.364 7.987 1.00 0.36 O ATOM 692 CB GLU A 47 2.012 0.000 9.566 1.00 0.45 C ATOM 693 CG GLU A 47 1.801 1.345 10.253 1.00 0.58 C ATOM 694 CD GLU A 47 3.065 1.969 10.767 1.00 1.03 C ATOM 695 OE1 GLU A 47 3.758 1.349 11.601 1.00 1.25 O ATOM 696 OE2 GLU A 47 3.388 3.102 10.361 1.00 1.88 O ATOM 0 H GLU A 47 1.894 -2.240 8.412 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.035 -0.591 9.681 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.376 -0.722 10.297 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.787 0.103 8.806 1.00 0.45 H new ATOM 0 HG2 GLU A 47 1.328 2.031 9.550 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.108 1.213 11.084 1.00 0.58 H new ATOM 703 N THR A 48 0.743 0.057 6.596 1.00 0.30 N ATOM 704 CA THR A 48 0.443 0.797 5.401 1.00 0.33 C ATOM 705 C THR A 48 -1.051 0.681 5.197 1.00 0.29 C ATOM 706 O THR A 48 -1.784 1.682 5.168 1.00 0.33 O ATOM 707 CB THR A 48 1.168 0.149 4.204 1.00 0.36 C ATOM 708 OG1 THR A 48 2.563 -0.034 4.508 1.00 0.42 O ATOM 709 CG2 THR A 48 1.027 1.007 2.965 1.00 0.45 C ATOM 0 H THR A 48 1.333 -0.758 6.432 1.00 0.30 H new ATOM 0 HA THR A 48 0.761 1.837 5.483 1.00 0.33 H new ATOM 0 HB THR A 48 0.710 -0.822 4.013 1.00 0.36 H new ATOM 0 HG1 THR A 48 2.867 0.688 5.096 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.546 0.532 2.132 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.029 1.119 2.718 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.463 1.989 3.151 1.00 0.45 H new ATOM 717 N ALA A 49 -1.482 -0.565 5.094 1.00 0.25 N ATOM 718 CA ALA A 49 -2.867 -0.918 4.967 1.00 0.24 C ATOM 719 C ALA A 49 -3.675 -0.372 6.143 1.00 0.22 C ATOM 720 O ALA A 49 -4.766 0.092 5.957 1.00 0.23 O ATOM 721 CB ALA A 49 -3.007 -2.429 4.873 1.00 0.27 C ATOM 0 H ALA A 49 -0.856 -1.370 5.097 1.00 0.25 H new ATOM 0 HA ALA A 49 -3.261 -0.471 4.055 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -4.061 -2.692 4.777 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.462 -2.791 4.002 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.599 -2.889 5.773 1.00 0.27 H new ATOM 727 N ALA A 50 -3.094 -0.411 7.337 1.00 0.23 N ATOM 728 CA ALA A 50 -3.734 0.053 8.557 1.00 0.26 C ATOM 729 C ALA A 50 -4.181 1.505 8.460 1.00 0.28 C ATOM 730 O ALA A 50 -5.305 1.859 8.845 1.00 0.30 O ATOM 731 CB ALA A 50 -2.836 -0.145 9.767 1.00 0.33 C ATOM 0 H ALA A 50 -2.151 -0.772 7.484 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.627 -0.558 8.686 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.346 0.213 10.661 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.606 -1.204 9.880 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -1.911 0.414 9.629 1.00 0.33 H new ATOM 737 N ARG A 51 -3.299 2.345 7.939 1.00 0.31 N ATOM 738 CA ARG A 51 -3.600 3.763 7.752 1.00 0.37 C ATOM 739 C ARG A 51 -4.718 3.916 6.736 1.00 0.36 C ATOM 740 O ARG A 51 -5.620 4.744 6.890 1.00 0.40 O ATOM 741 CB ARG A 51 -2.356 4.527 7.291 1.00 0.45 C ATOM 742 CG ARG A 51 -1.199 4.429 8.260 1.00 0.54 C ATOM 743 CD ARG A 51 0.013 5.206 7.786 1.00 0.70 C ATOM 744 NE ARG A 51 1.142 5.026 8.702 1.00 1.59 N ATOM 745 CZ ARG A 51 1.906 6.007 9.191 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.758 7.258 8.751 1.00 1.27 N ATOM 747 NH2 ARG A 51 2.862 5.710 10.057 1.00 2.84 N ATOM 0 H ARG A 51 -2.364 2.071 7.636 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.920 4.182 8.706 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -2.041 4.143 6.321 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.614 5.576 7.150 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.511 4.805 9.235 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.927 3.382 8.394 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.294 4.874 6.787 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.235 6.265 7.712 1.00 0.70 H new ATOM 0 HE ARG A 51 1.363 4.073 8.990 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.059 7.469 8.038 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.344 8.004 9.127 1.00 1.27 H new ATOM 0 HH21 ARG A 51 3.008 4.742 10.343 1.00 2.84 H new ATOM 0 HH22 ARG A 51 3.453 6.449 10.438 1.00 2.84 H new ATOM 761 N LEU A 52 -4.666 3.080 5.719 1.00 0.32 N ATOM 762 CA LEU A 52 -5.656 3.053 4.673 1.00 0.34 C ATOM 763 C LEU A 52 -7.012 2.609 5.236 1.00 0.33 C ATOM 764 O LEU A 52 -8.053 3.189 4.892 1.00 0.37 O ATOM 765 CB LEU A 52 -5.174 2.137 3.548 1.00 0.35 C ATOM 766 CG LEU A 52 -3.838 2.545 2.911 1.00 0.43 C ATOM 767 CD1 LEU A 52 -3.394 1.532 1.877 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.934 3.935 2.294 1.00 0.69 C ATOM 0 H LEU A 52 -3.922 2.392 5.598 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.792 4.053 4.262 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -5.079 1.124 3.939 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.937 2.108 2.770 1.00 0.35 H new ATOM 0 HG LEU A 52 -3.087 2.572 3.701 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -2.445 1.847 1.443 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -3.270 0.558 2.351 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -4.146 1.460 1.092 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.976 4.202 1.849 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.705 3.939 1.524 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -4.190 4.659 3.067 1.00 0.69 H new ATOM 780 N GLU A 53 -6.981 1.600 6.120 1.00 0.29 N ATOM 781 CA GLU A 53 -8.168 1.120 6.819 1.00 0.32 C ATOM 782 C GLU A 53 -8.807 2.251 7.573 1.00 0.35 C ATOM 783 O GLU A 53 -9.963 2.562 7.369 1.00 0.42 O ATOM 784 CB GLU A 53 -7.851 0.000 7.830 1.00 0.32 C ATOM 785 CG GLU A 53 -7.286 -1.271 7.246 1.00 0.34 C ATOM 786 CD GLU A 53 -7.267 -2.395 8.254 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.263 -2.518 8.981 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.245 -3.182 8.335 1.00 0.48 O ATOM 0 H GLU A 53 -6.128 1.098 6.366 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.836 0.720 6.056 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.143 0.387 8.562 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.765 -0.246 8.370 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.880 -1.569 6.382 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.273 -1.087 6.888 1.00 0.34 H new ATOM 795 N SER A 54 -8.021 2.889 8.407 1.00 0.35 N ATOM 796 CA SER A 54 -8.500 3.962 9.249 1.00 0.41 C ATOM 797 C SER A 54 -9.019 5.160 8.419 1.00 0.45 C ATOM 798 O SER A 54 -10.012 5.803 8.783 1.00 0.55 O ATOM 799 CB SER A 54 -7.398 4.387 10.215 1.00 0.47 C ATOM 800 OG SER A 54 -7.851 5.368 11.125 1.00 1.19 O ATOM 0 H SER A 54 -7.029 2.679 8.522 1.00 0.35 H new ATOM 0 HA SER A 54 -9.350 3.594 9.824 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.041 3.517 10.766 1.00 0.47 H new ATOM 0 HB3 SER A 54 -6.550 4.777 9.651 1.00 0.47 H new ATOM 0 HG SER A 54 -7.120 5.616 11.729 1.00 1.19 H new ATOM 806 N ARG A 55 -8.347 5.472 7.325 1.00 0.44 N ATOM 807 CA ARG A 55 -8.797 6.551 6.473 1.00 0.54 C ATOM 808 C ARG A 55 -10.120 6.230 5.758 1.00 0.56 C ATOM 809 O ARG A 55 -11.079 7.002 5.830 1.00 0.68 O ATOM 810 CB ARG A 55 -7.734 6.993 5.459 1.00 0.63 C ATOM 811 CG ARG A 55 -8.260 8.064 4.519 1.00 0.83 C ATOM 812 CD ARG A 55 -7.252 8.513 3.493 1.00 1.08 C ATOM 813 NE ARG A 55 -7.896 9.371 2.495 1.00 1.65 N ATOM 814 CZ ARG A 55 -7.398 9.663 1.293 1.00 2.21 C ATOM 815 NH1 ARG A 55 -6.088 9.547 1.055 1.00 2.35 N ATOM 816 NH2 ARG A 55 -8.197 10.145 0.358 1.00 3.07 N ATOM 0 H ARG A 55 -7.499 4.999 7.011 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.977 7.388 7.147 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.861 7.373 5.990 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -7.404 6.131 4.879 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -9.143 7.684 4.006 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -8.578 8.926 5.105 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -6.442 9.055 3.981 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -6.807 7.646 3.005 1.00 1.08 H new ATOM 0 HE ARG A 55 -8.799 9.778 2.740 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -5.461 9.233 1.796 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -5.715 9.772 0.133 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -9.186 10.291 0.558 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -7.825 10.371 -0.564 1.00 3.07 H new ATOM 830 N TYR A 56 -10.180 5.090 5.114 1.00 0.50 N ATOM 831 CA TYR A 56 -11.309 4.774 4.249 1.00 0.57 C ATOM 832 C TYR A 56 -12.413 3.985 4.944 1.00 0.61 C ATOM 833 O TYR A 56 -13.501 3.821 4.395 1.00 0.74 O ATOM 834 CB TYR A 56 -10.826 4.023 3.012 1.00 0.62 C ATOM 835 CG TYR A 56 -9.888 4.814 2.130 1.00 0.67 C ATOM 836 CD1 TYR A 56 -10.312 5.958 1.467 1.00 0.75 C ATOM 837 CD2 TYR A 56 -8.574 4.424 1.978 1.00 0.74 C ATOM 838 CE1 TYR A 56 -9.440 6.686 0.687 1.00 0.85 C ATOM 839 CE2 TYR A 56 -7.702 5.141 1.200 1.00 0.85 C ATOM 840 CZ TYR A 56 -8.208 6.257 0.468 1.00 0.91 C ATOM 841 OH TYR A 56 -7.254 6.986 -0.205 1.00 1.01 O ATOM 0 H TYR A 56 -9.467 4.363 5.167 1.00 0.50 H new ATOM 0 HA TYR A 56 -11.751 5.728 3.962 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -10.323 3.109 3.329 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -11.692 3.722 2.423 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -11.338 6.281 1.564 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -8.225 3.535 2.482 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -9.766 7.618 0.249 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -6.659 4.868 1.142 1.00 0.85 H new ATOM 0 HH TYR A 56 -7.412 6.920 -1.170 1.00 1.01 H new ATOM 851 N GLY A 57 -12.137 3.472 6.115 1.00 0.58 N ATOM 852 CA GLY A 57 -13.132 2.706 6.841 1.00 0.66 C ATOM 853 C GLY A 57 -13.280 1.318 6.268 1.00 0.71 C ATOM 854 O GLY A 57 -14.269 0.627 6.516 1.00 0.93 O ATOM 0 H GLY A 57 -11.239 3.567 6.589 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.848 2.640 7.891 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -14.091 3.222 6.802 1.00 0.66 H new ATOM 858 N VAL A 58 -12.296 0.913 5.512 1.00 0.60 N ATOM 859 CA VAL A 58 -12.300 -0.368 4.874 1.00 0.65 C ATOM 860 C VAL A 58 -11.475 -1.311 5.718 1.00 0.60 C ATOM 861 O VAL A 58 -10.419 -0.940 6.207 1.00 0.70 O ATOM 862 CB VAL A 58 -11.726 -0.268 3.409 1.00 0.69 C ATOM 863 CG1 VAL A 58 -10.309 0.311 3.375 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.771 -1.618 2.699 1.00 1.16 C ATOM 0 H VAL A 58 -11.463 1.470 5.322 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.320 -0.742 4.790 1.00 0.65 H new ATOM 0 HB VAL A 58 -12.373 0.425 2.872 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.960 0.359 2.343 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -10.315 1.314 3.803 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.641 -0.327 3.955 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.368 -1.513 1.692 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.175 -2.341 3.255 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.803 -1.965 2.643 1.00 1.16 H new ATOM 874 N SER A 59 -11.969 -2.478 5.931 1.00 0.62 N ATOM 875 CA SER A 59 -11.272 -3.436 6.705 1.00 0.67 C ATOM 876 C SER A 59 -10.434 -4.311 5.776 1.00 0.59 C ATOM 877 O SER A 59 -10.963 -4.966 4.853 1.00 0.72 O ATOM 878 CB SER A 59 -12.275 -4.243 7.522 1.00 0.92 C ATOM 879 OG SER A 59 -13.091 -3.362 8.304 1.00 1.87 O ATOM 0 H SER A 59 -12.870 -2.794 5.572 1.00 0.62 H new ATOM 0 HA SER A 59 -10.591 -2.954 7.407 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.901 -4.839 6.858 1.00 0.92 H new ATOM 0 HB3 SER A 59 -11.749 -4.940 8.174 1.00 0.92 H new ATOM 0 HG SER A 59 -13.734 -3.887 8.825 1.00 1.87 H new ATOM 885 N ILE A 60 -9.148 -4.271 5.969 1.00 0.48 N ATOM 886 CA ILE A 60 -8.229 -5.019 5.160 1.00 0.45 C ATOM 887 C ILE A 60 -7.768 -6.225 5.946 1.00 0.51 C ATOM 888 O ILE A 60 -7.167 -6.068 7.015 1.00 0.57 O ATOM 889 CB ILE A 60 -7.002 -4.162 4.752 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.465 -2.894 4.017 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.047 -4.974 3.866 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.347 -1.932 3.699 1.00 0.41 C ATOM 0 H ILE A 60 -8.703 -3.714 6.698 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.736 -5.326 4.246 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.466 -3.870 5.655 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.958 -3.183 3.089 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -8.209 -2.383 4.628 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.193 -4.356 3.590 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.699 -5.850 4.413 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.570 -5.293 2.965 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.752 -1.063 3.181 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.868 -1.612 4.624 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.613 -2.425 3.062 1.00 0.41 H new ATOM 904 N PRO A 61 -8.066 -7.442 5.453 1.00 0.58 N ATOM 905 CA PRO A 61 -7.677 -8.683 6.118 1.00 0.66 C ATOM 906 C PRO A 61 -6.173 -8.735 6.337 1.00 0.56 C ATOM 907 O PRO A 61 -5.400 -8.535 5.394 1.00 0.44 O ATOM 908 CB PRO A 61 -8.108 -9.771 5.134 1.00 0.78 C ATOM 909 CG PRO A 61 -9.180 -9.143 4.322 1.00 0.87 C ATOM 910 CD PRO A 61 -8.808 -7.700 4.204 1.00 0.66 C ATOM 0 HA PRO A 61 -8.132 -8.790 7.103 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.275 -10.092 4.509 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -8.474 -10.655 5.657 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.251 -9.610 3.340 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.152 -9.258 4.801 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.193 -7.513 3.324 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.688 -7.063 4.119 1.00 0.66 H new ATOM 918 N ASP A 62 -5.782 -9.002 7.571 1.00 0.67 N ATOM 919 CA ASP A 62 -4.371 -9.045 8.008 1.00 0.67 C ATOM 920 C ASP A 62 -3.529 -9.931 7.115 1.00 0.54 C ATOM 921 O ASP A 62 -2.393 -9.590 6.777 1.00 0.52 O ATOM 922 CB ASP A 62 -4.260 -9.555 9.445 1.00 0.90 C ATOM 923 CG ASP A 62 -4.928 -8.667 10.464 1.00 1.18 C ATOM 924 OD1 ASP A 62 -6.175 -8.686 10.565 1.00 1.29 O ATOM 925 OD2 ASP A 62 -4.222 -7.903 11.162 1.00 1.83 O ATOM 0 H ASP A 62 -6.440 -9.201 8.324 1.00 0.67 H new ATOM 0 HA ASP A 62 -3.997 -8.023 7.946 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -4.700 -10.551 9.501 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -3.206 -9.658 9.703 1.00 0.90 H new ATOM 930 N ASP A 63 -4.107 -11.042 6.694 1.00 0.56 N ATOM 931 CA ASP A 63 -3.413 -11.991 5.829 1.00 0.55 C ATOM 932 C ASP A 63 -3.153 -11.386 4.481 1.00 0.44 C ATOM 933 O ASP A 63 -2.040 -11.438 3.991 1.00 0.46 O ATOM 934 CB ASP A 63 -4.211 -13.286 5.628 1.00 0.75 C ATOM 935 CG ASP A 63 -4.202 -14.214 6.808 1.00 1.54 C ATOM 936 OD1 ASP A 63 -3.297 -15.056 6.912 1.00 1.84 O ATOM 937 OD2 ASP A 63 -5.087 -14.094 7.685 1.00 2.34 O ATOM 0 H ASP A 63 -5.060 -11.314 6.936 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.474 -12.230 6.328 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.244 -13.028 5.393 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -3.809 -13.815 4.763 1.00 0.75 H new ATOM 942 N VAL A 64 -4.162 -10.737 3.928 1.00 0.41 N ATOM 943 CA VAL A 64 -4.088 -10.164 2.584 1.00 0.40 C ATOM 944 C VAL A 64 -3.180 -8.938 2.592 1.00 0.34 C ATOM 945 O VAL A 64 -2.402 -8.722 1.659 1.00 0.41 O ATOM 946 CB VAL A 64 -5.508 -9.783 2.060 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.447 -9.174 0.662 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.414 -11.006 2.056 1.00 0.66 C ATOM 0 H VAL A 64 -5.058 -10.589 4.393 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.671 -10.914 1.912 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.918 -9.032 2.735 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.454 -8.922 0.331 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.836 -8.272 0.684 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.007 -9.893 -0.029 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.401 -10.726 1.688 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -5.989 -11.772 1.407 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.502 -11.397 3.070 1.00 0.66 H new ATOM 958 N ALA A 65 -3.239 -8.192 3.686 1.00 0.33 N ATOM 959 CA ALA A 65 -2.420 -7.005 3.889 1.00 0.39 C ATOM 960 C ALA A 65 -0.929 -7.328 3.763 1.00 0.41 C ATOM 961 O ALA A 65 -0.151 -6.509 3.309 1.00 0.51 O ATOM 962 CB ALA A 65 -2.725 -6.393 5.249 1.00 0.46 C ATOM 0 H ALA A 65 -3.864 -8.396 4.466 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.665 -6.282 3.111 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.109 -5.506 5.395 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.778 -6.116 5.295 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.506 -7.119 6.032 1.00 0.46 H new ATOM 968 N GLY A 66 -0.552 -8.539 4.151 1.00 0.40 N ATOM 969 CA GLY A 66 0.825 -8.950 4.032 1.00 0.48 C ATOM 970 C GLY A 66 0.996 -10.121 3.084 1.00 0.48 C ATOM 971 O GLY A 66 1.969 -10.862 3.175 1.00 0.61 O ATOM 0 H GLY A 66 -1.178 -9.241 4.545 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.423 -8.110 3.680 1.00 0.48 H new ATOM 0 HA3 GLY A 66 1.207 -9.223 5.016 1.00 0.48 H new ATOM 975 N ARG A 67 0.047 -10.283 2.186 1.00 0.43 N ATOM 976 CA ARG A 67 0.046 -11.385 1.211 1.00 0.48 C ATOM 977 C ARG A 67 0.523 -10.893 -0.140 1.00 0.36 C ATOM 978 O ARG A 67 1.016 -11.663 -0.968 1.00 0.40 O ATOM 979 CB ARG A 67 -1.379 -11.933 1.092 1.00 0.64 C ATOM 980 CG ARG A 67 -1.611 -12.998 0.047 1.00 1.16 C ATOM 981 CD ARG A 67 -3.062 -13.416 0.067 1.00 1.45 C ATOM 982 NE ARG A 67 -3.426 -14.278 -1.055 1.00 2.16 N ATOM 983 CZ ARG A 67 -4.562 -14.980 -1.125 1.00 3.05 C ATOM 984 NH1 ARG A 67 -5.354 -15.074 -0.057 1.00 3.43 N ATOM 985 NH2 ARG A 67 -4.883 -15.626 -2.238 1.00 3.98 N ATOM 0 H ARG A 67 -0.755 -9.658 2.101 1.00 0.43 H new ATOM 0 HA ARG A 67 0.721 -12.171 1.548 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.670 -12.338 2.061 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -2.048 -11.099 0.882 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -1.344 -12.619 -0.939 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.971 -13.859 0.241 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -3.271 -13.938 1.001 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -3.691 -12.526 0.052 1.00 1.45 H new ATOM 0 HE ARG A 67 -2.772 -14.349 -1.835 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -5.094 -14.610 0.813 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -6.221 -15.609 -0.110 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -4.262 -15.589 -3.046 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -5.751 -16.160 -2.286 1.00 3.98 H new ATOM 999 N VAL A 68 0.406 -9.618 -0.330 1.00 0.33 N ATOM 1000 CA VAL A 68 0.725 -8.978 -1.583 1.00 0.34 C ATOM 1001 C VAL A 68 2.242 -8.846 -1.780 1.00 0.35 C ATOM 1002 O VAL A 68 2.967 -8.455 -0.872 1.00 0.44 O ATOM 1003 CB VAL A 68 0.025 -7.591 -1.669 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.481 -7.782 -1.782 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.334 -6.745 -0.434 1.00 0.41 C ATOM 0 H VAL A 68 0.081 -8.973 0.390 1.00 0.33 H new ATOM 0 HA VAL A 68 0.351 -9.607 -2.391 1.00 0.34 H new ATOM 0 HB VAL A 68 0.402 -7.073 -2.551 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -1.968 -6.809 -1.842 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.708 -8.357 -2.679 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.847 -8.317 -0.906 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.167 -5.781 -0.519 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.021 -7.261 0.458 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.410 -6.589 -0.360 1.00 0.41 H new ATOM 1015 N ASP A 69 2.707 -9.257 -2.949 1.00 0.36 N ATOM 1016 CA ASP A 69 4.138 -9.172 -3.306 1.00 0.40 C ATOM 1017 C ASP A 69 4.467 -7.858 -3.905 1.00 0.32 C ATOM 1018 O ASP A 69 5.450 -7.217 -3.526 1.00 0.32 O ATOM 1019 CB ASP A 69 4.559 -10.254 -4.316 1.00 0.57 C ATOM 1020 CG ASP A 69 4.859 -11.603 -3.735 1.00 1.13 C ATOM 1021 OD1 ASP A 69 3.903 -12.382 -3.532 1.00 1.91 O ATOM 1022 OD2 ASP A 69 6.026 -11.886 -3.406 1.00 1.27 O ATOM 0 H ASP A 69 2.119 -9.658 -3.680 1.00 0.36 H new ATOM 0 HA ASP A 69 4.678 -9.317 -2.370 1.00 0.40 H new ATOM 0 HB2 ASP A 69 3.765 -10.365 -5.054 1.00 0.57 H new ATOM 0 HB3 ASP A 69 5.443 -9.903 -4.849 1.00 0.57 H new ATOM 1027 N THR A 70 3.705 -7.473 -4.859 1.00 0.32 N ATOM 1028 CA THR A 70 3.953 -6.266 -5.534 1.00 0.31 C ATOM 1029 C THR A 70 2.904 -5.236 -5.179 1.00 0.27 C ATOM 1030 O THR A 70 1.759 -5.587 -4.850 1.00 0.29 O ATOM 1031 CB THR A 70 4.001 -6.516 -7.039 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.824 -7.229 -7.428 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.233 -7.332 -7.388 1.00 0.47 C ATOM 0 H THR A 70 2.891 -7.990 -5.191 1.00 0.32 H new ATOM 0 HA THR A 70 4.920 -5.872 -5.222 1.00 0.31 H new ATOM 0 HB THR A 70 4.048 -5.564 -7.567 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.845 -7.393 -8.394 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.261 -7.507 -8.464 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.128 -6.788 -7.085 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.196 -8.288 -6.866 1.00 0.47 H new ATOM 1041 N PRO A 71 3.284 -3.954 -5.185 1.00 0.25 N ATOM 1042 CA PRO A 71 2.372 -2.848 -4.917 1.00 0.24 C ATOM 1043 C PRO A 71 1.124 -2.911 -5.779 1.00 0.21 C ATOM 1044 O PRO A 71 0.047 -2.612 -5.312 1.00 0.25 O ATOM 1045 CB PRO A 71 3.206 -1.622 -5.252 1.00 0.29 C ATOM 1046 CG PRO A 71 4.596 -2.054 -4.986 1.00 0.32 C ATOM 1047 CD PRO A 71 4.665 -3.483 -5.392 1.00 0.30 C ATOM 0 HA PRO A 71 2.001 -2.855 -3.892 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.073 -1.320 -6.291 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.928 -0.768 -4.634 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.307 -1.453 -5.553 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.847 -1.935 -3.932 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.977 -3.593 -6.430 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.377 -4.041 -4.784 1.00 0.30 H new ATOM 1055 N ARG A 72 1.287 -3.302 -7.037 1.00 0.22 N ATOM 1056 CA ARG A 72 0.162 -3.470 -7.961 1.00 0.26 C ATOM 1057 C ARG A 72 -0.921 -4.429 -7.446 1.00 0.25 C ATOM 1058 O ARG A 72 -2.105 -4.200 -7.684 1.00 0.29 O ATOM 1059 CB ARG A 72 0.631 -3.779 -9.386 1.00 0.40 C ATOM 1060 CG ARG A 72 1.631 -4.868 -9.507 1.00 0.92 C ATOM 1061 CD ARG A 72 2.297 -4.807 -10.866 1.00 0.95 C ATOM 1062 NE ARG A 72 3.428 -5.679 -10.883 1.00 0.67 N ATOM 1063 CZ ARG A 72 4.539 -5.551 -11.620 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.660 -4.554 -12.478 1.00 1.48 N ATOM 1065 NH2 ARG A 72 5.535 -6.438 -11.489 1.00 1.29 N ATOM 0 H ARG A 72 2.197 -3.512 -7.448 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.339 -2.503 -8.009 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.240 -4.040 -9.988 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.055 -2.871 -9.815 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.380 -4.775 -8.721 1.00 0.92 H new ATOM 0 HG3 ARG A 72 1.147 -5.835 -9.373 1.00 0.92 H new ATOM 0 HD2 ARG A 72 1.589 -5.097 -11.643 1.00 0.95 H new ATOM 0 HD3 ARG A 72 2.609 -3.786 -11.084 1.00 0.95 H new ATOM 0 HE ARG A 72 3.385 -6.489 -10.265 1.00 0.67 H new ATOM 0 HH11 ARG A 72 3.905 -3.876 -12.582 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.509 -4.462 -13.036 1.00 1.48 H new ATOM 0 HH21 ARG A 72 5.447 -7.210 -10.828 1.00 1.29 H new ATOM 0 HH22 ARG A 72 6.381 -6.341 -12.050 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.510 -5.478 -6.728 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.455 -6.428 -6.111 1.00 0.28 C ATOM 1081 C GLU A 73 -2.292 -5.694 -5.066 1.00 0.26 C ATOM 1082 O GLU A 73 -3.525 -5.717 -5.088 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.692 -7.561 -5.404 1.00 0.34 C ATOM 1084 CG GLU A 73 0.128 -8.463 -6.303 1.00 0.44 C ATOM 1085 CD GLU A 73 -0.720 -9.344 -7.171 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.086 -8.917 -8.290 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -1.056 -10.463 -6.761 1.00 1.24 O ATOM 0 H GLU A 73 0.472 -5.696 -6.556 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.089 -6.846 -6.893 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.028 -7.118 -4.661 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.411 -8.176 -4.863 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.772 -7.851 -6.934 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.780 -9.084 -5.689 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.586 -4.991 -4.200 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.163 -4.278 -3.074 1.00 0.28 C ATOM 1096 C LEU A 74 -3.037 -3.125 -3.579 1.00 0.26 C ATOM 1097 O LEU A 74 -4.181 -2.961 -3.140 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.986 -3.792 -2.162 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.291 -3.098 -0.808 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.786 -1.675 -0.984 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.277 -3.921 0.015 1.00 0.90 C ATOM 0 H LEU A 74 -0.572 -4.897 -4.261 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.815 -4.923 -2.485 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.361 -4.659 -1.949 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.382 -3.102 -2.752 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.349 -3.039 -0.263 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.985 -1.235 -0.007 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -1.027 -1.087 -1.499 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.703 -1.679 -1.573 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.475 -3.414 0.959 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.209 -4.033 -0.539 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.853 -4.905 0.214 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.496 -2.364 -4.513 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.168 -1.227 -5.112 1.00 0.23 C ATOM 1115 C LEU A 75 -4.491 -1.647 -5.726 1.00 0.24 C ATOM 1116 O LEU A 75 -5.523 -1.042 -5.452 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.270 -0.580 -6.180 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.802 0.698 -6.837 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.977 1.795 -5.803 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -1.868 1.155 -7.947 1.00 0.34 C ATOM 0 H LEU A 75 -1.559 -2.523 -4.883 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.369 -0.496 -4.329 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.306 -0.354 -5.724 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.087 -1.316 -6.963 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.776 0.480 -7.275 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.355 2.695 -6.288 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.685 1.468 -5.042 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -2.016 2.011 -5.336 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.261 2.064 -8.402 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -0.880 1.355 -7.532 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -1.792 0.374 -8.703 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.462 -2.715 -6.515 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.656 -3.189 -7.207 1.00 0.25 C ATOM 1134 C ASP A 76 -6.691 -3.708 -6.235 1.00 0.27 C ATOM 1135 O ASP A 76 -7.878 -3.385 -6.350 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.324 -4.276 -8.224 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.545 -4.712 -8.999 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -6.970 -3.966 -9.905 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.111 -5.794 -8.717 1.00 0.57 O ATOM 0 H ASP A 76 -3.624 -3.270 -6.692 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.069 -2.330 -7.736 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.567 -3.907 -8.916 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.894 -5.136 -7.710 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.236 -4.482 -5.260 1.00 0.30 N ATOM 1145 CA LEU A 77 -7.113 -5.072 -4.256 1.00 0.36 C ATOM 1146 C LEU A 77 -7.835 -3.959 -3.487 1.00 0.34 C ATOM 1147 O LEU A 77 -9.063 -3.982 -3.343 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.277 -5.990 -3.307 1.00 0.47 C ATOM 1149 CG LEU A 77 -7.022 -6.949 -2.330 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.731 -6.217 -1.192 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -8.003 -7.834 -3.090 1.00 1.96 C ATOM 0 H LEU A 77 -5.251 -4.719 -5.142 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.872 -5.691 -4.735 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.624 -6.600 -3.931 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.634 -5.345 -2.708 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.257 -7.573 -1.868 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -8.230 -6.942 -0.548 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -7.000 -5.656 -0.609 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.469 -5.530 -1.605 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.513 -8.496 -2.390 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.737 -7.210 -3.599 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.462 -8.430 -3.825 1.00 1.96 H new ATOM 1163 N ILE A 78 -7.088 -2.965 -3.044 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.686 -1.886 -2.301 1.00 0.34 C ATOM 1165 C ILE A 78 -8.526 -0.979 -3.208 1.00 0.31 C ATOM 1166 O ILE A 78 -9.564 -0.519 -2.799 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.652 -1.085 -1.459 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.959 -2.042 -0.478 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.338 0.046 -0.687 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.931 -1.385 0.411 1.00 0.55 C ATOM 0 H ILE A 78 -6.081 -2.887 -3.186 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.364 -2.341 -1.579 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.916 -0.640 -2.129 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.717 -2.512 0.149 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.476 -2.838 -1.045 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.595 0.592 -0.105 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.820 0.726 -1.389 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -8.087 -0.374 -0.016 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.491 -2.132 1.072 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -4.149 -0.939 -0.204 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -5.409 -0.609 1.008 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.099 -0.774 -4.459 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.899 0.018 -5.433 1.00 0.31 C ATOM 1184 C ASN A 79 -10.282 -0.575 -5.601 1.00 0.32 C ATOM 1185 O ASN A 79 -11.276 0.147 -5.579 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.207 0.131 -6.808 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.248 1.319 -6.958 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -7.022 1.798 -8.064 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.719 1.839 -5.872 1.00 0.52 N ATOM 0 H ASN A 79 -7.219 -1.134 -4.828 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.985 1.024 -5.022 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.653 -0.789 -6.995 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.974 0.204 -7.579 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -6.110 2.654 -5.941 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.918 1.427 -4.960 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.342 -1.893 -5.719 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.615 -2.578 -5.827 1.00 0.42 C ATOM 1198 C GLY A 80 -12.455 -2.393 -4.577 1.00 0.45 C ATOM 1199 O GLY A 80 -13.638 -2.074 -4.656 1.00 0.53 O ATOM 0 H GLY A 80 -9.526 -2.505 -5.742 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.160 -2.200 -6.692 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.444 -3.641 -5.997 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.815 -2.512 -3.423 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.493 -2.369 -2.137 1.00 0.52 C ATOM 1205 C ALA A 81 -12.945 -0.918 -1.903 1.00 0.51 C ATOM 1206 O ALA A 81 -13.900 -0.661 -1.162 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.583 -2.837 -1.006 1.00 0.59 C ATOM 0 H ALA A 81 -10.817 -2.709 -3.348 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.385 -2.996 -2.153 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.100 -2.725 -0.053 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.324 -3.885 -1.157 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.674 -2.236 -0.998 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.257 0.015 -2.532 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.594 1.412 -2.450 1.00 0.56 C ATOM 1215 C LEU A 82 -13.744 1.734 -3.374 1.00 0.59 C ATOM 1216 O LEU A 82 -14.652 2.479 -3.009 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.380 2.280 -2.771 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.220 2.191 -1.784 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -9.115 3.155 -2.160 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -10.695 2.430 -0.363 1.00 1.10 C ATOM 0 H LEU A 82 -11.445 -0.182 -3.116 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.905 1.631 -1.429 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -11.013 2.006 -3.760 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.705 3.319 -2.828 1.00 0.63 H new ATOM 0 HG LEU A 82 -9.813 1.181 -1.833 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.300 3.072 -1.441 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.746 2.914 -3.157 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.503 4.174 -2.153 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.848 2.361 0.320 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.140 3.422 -0.290 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.438 1.679 -0.097 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.722 1.153 -4.561 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.794 1.329 -5.525 1.00 0.67 C ATOM 1234 C ALA A 83 -16.104 0.765 -4.967 1.00 0.72 C ATOM 1235 O ALA A 83 -17.189 1.306 -5.200 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.442 0.655 -6.841 1.00 0.76 C ATOM 0 H ALA A 83 -12.965 0.549 -4.882 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.925 2.395 -5.710 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.256 0.797 -7.552 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.529 1.095 -7.242 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.288 -0.411 -6.674 1.00 0.76 H new