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 -169:sc= 0.641 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.577 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 7 THR OG1 : rot -173:sc= 1.27 USER MOD Single : A 40 TYR OH : rot -165:sc= -0.0751 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 46 MET CE :methyl -175:sc= -1.46 (180deg=-1.57) USER MOD Single : A 54 SER OG : rot 79:sc= 0.134 USER MOD Single : A 56 TYR OH : rot -160:sc= 0.197 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 79 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.793 6.880 -4.762 1.00 0.89 N ATOM 45 CA LEU A 4 -9.006 5.772 -5.178 1.00 0.69 C ATOM 46 C LEU A 4 -7.517 6.045 -5.040 1.00 0.63 C ATOM 47 O LEU A 4 -7.048 7.182 -5.190 1.00 0.87 O ATOM 48 CB LEU A 4 -9.303 5.484 -6.619 1.00 0.83 C ATOM 49 CG LEU A 4 -8.944 4.114 -7.073 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.944 3.101 -6.535 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.810 4.050 -8.574 1.00 1.51 C ATOM 0 HA LEU A 4 -9.258 4.925 -4.540 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.367 5.641 -6.793 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.769 6.207 -7.236 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.966 3.857 -6.667 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.669 2.103 -6.875 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.938 3.128 -5.445 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.942 3.346 -6.899 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.547 3.035 -8.873 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.756 4.331 -9.036 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -8.029 4.738 -8.899 1.00 1.51 H new ATOM 63 N LEU A 5 -6.795 5.004 -4.790 1.00 0.49 N ATOM 64 CA LEU A 5 -5.389 5.068 -4.626 1.00 0.44 C ATOM 65 C LEU A 5 -4.715 4.876 -5.947 1.00 0.39 C ATOM 66 O LEU A 5 -5.020 3.923 -6.674 1.00 0.42 O ATOM 67 CB LEU A 5 -4.929 3.961 -3.694 1.00 0.47 C ATOM 68 CG LEU A 5 -5.434 4.017 -2.270 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.955 2.809 -1.502 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.955 5.263 -1.594 1.00 0.79 C ATOM 0 H LEU A 5 -7.180 4.064 -4.693 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.132 6.042 -4.210 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.231 3.006 -4.125 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.839 3.969 -3.669 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.524 4.022 -2.291 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.324 2.859 -0.478 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.329 1.903 -1.979 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.865 2.791 -1.494 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.327 5.288 -0.570 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.865 5.276 -1.584 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.323 6.135 -2.135 1.00 0.79 H new ATOM 82 N THR A 6 -3.865 5.779 -6.281 1.00 0.38 N ATOM 83 CA THR A 6 -3.007 5.623 -7.400 1.00 0.40 C ATOM 84 C THR A 6 -1.652 5.217 -6.867 1.00 0.34 C ATOM 85 O THR A 6 -1.499 5.106 -5.640 1.00 0.30 O ATOM 86 CB THR A 6 -2.905 6.927 -8.195 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.707 8.022 -7.268 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.164 7.157 -9.015 1.00 0.63 C ATOM 0 H THR A 6 -3.744 6.658 -5.779 1.00 0.38 H new ATOM 0 HA THR A 6 -3.398 4.866 -8.079 1.00 0.40 H new ATOM 0 HB THR A 6 -2.063 6.865 -8.884 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.638 8.863 -7.766 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.070 8.089 -9.572 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.301 6.330 -9.712 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.025 7.217 -8.350 1.00 0.63 H new ATOM 96 N THR A 7 -0.686 5.010 -7.730 1.00 0.37 N ATOM 97 CA THR A 7 0.660 4.683 -7.303 1.00 0.37 C ATOM 98 C THR A 7 1.198 5.799 -6.397 1.00 0.35 C ATOM 99 O THR A 7 1.844 5.545 -5.382 1.00 0.34 O ATOM 100 CB THR A 7 1.589 4.515 -8.511 1.00 0.48 C ATOM 101 OG1 THR A 7 0.974 3.636 -9.469 1.00 0.61 O ATOM 102 CG2 THR A 7 2.908 3.906 -8.068 1.00 0.56 C ATOM 0 H THR A 7 -0.806 5.062 -8.742 1.00 0.37 H new ATOM 0 HA THR A 7 0.629 3.742 -6.754 1.00 0.37 H new ATOM 0 HB THR A 7 1.768 5.493 -8.959 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.610 3.441 -10.189 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.563 3.789 -8.931 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.384 4.560 -7.337 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.725 2.931 -7.617 1.00 0.56 H new ATOM 110 N ASP A 8 0.900 7.026 -6.793 1.00 0.43 N ATOM 111 CA ASP A 8 1.307 8.236 -6.090 1.00 0.50 C ATOM 112 C ASP A 8 0.804 8.232 -4.638 1.00 0.44 C ATOM 113 O ASP A 8 1.594 8.380 -3.690 1.00 0.46 O ATOM 114 CB ASP A 8 0.747 9.455 -6.834 1.00 0.67 C ATOM 115 CG ASP A 8 1.310 10.767 -6.353 1.00 1.08 C ATOM 116 OD1 ASP A 8 0.829 11.283 -5.316 1.00 1.65 O ATOM 117 OD2 ASP A 8 2.243 11.309 -6.974 1.00 1.26 O ATOM 0 H ASP A 8 0.354 7.215 -7.634 1.00 0.43 H new ATOM 0 HA ASP A 8 2.396 8.279 -6.065 1.00 0.50 H new ATOM 0 HB2 ASP A 8 0.956 9.348 -7.898 1.00 0.67 H new ATOM 0 HB3 ASP A 8 -0.337 9.472 -6.722 1.00 0.67 H new ATOM 122 N ASP A 9 -0.507 8.035 -4.461 1.00 0.42 N ATOM 123 CA ASP A 9 -1.105 8.037 -3.110 1.00 0.42 C ATOM 124 C ASP A 9 -0.659 6.801 -2.328 1.00 0.40 C ATOM 125 O ASP A 9 -0.455 6.851 -1.117 1.00 0.45 O ATOM 126 CB ASP A 9 -2.643 8.088 -3.151 1.00 0.46 C ATOM 127 CG ASP A 9 -3.239 8.545 -1.821 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.344 7.719 -0.877 1.00 1.41 O ATOM 129 OD2 ASP A 9 -3.582 9.703 -1.672 1.00 0.86 O ATOM 0 H ASP A 9 -1.170 7.874 -5.219 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.753 8.940 -2.611 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.962 8.766 -3.943 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.031 7.101 -3.402 1.00 0.46 H new ATOM 134 N LEU A 10 -0.467 5.698 -3.049 1.00 0.37 N ATOM 135 CA LEU A 10 -0.054 4.436 -2.444 1.00 0.36 C ATOM 136 C LEU A 10 1.349 4.594 -1.864 1.00 0.36 C ATOM 137 O LEU A 10 1.622 4.181 -0.743 1.00 0.41 O ATOM 138 CB LEU A 10 -0.040 3.323 -3.495 1.00 0.35 C ATOM 139 CG LEU A 10 0.038 1.905 -2.953 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.270 1.544 -2.267 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.376 0.915 -4.056 1.00 0.37 C ATOM 0 H LEU A 10 -0.592 5.655 -4.060 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.759 4.172 -1.656 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.941 3.411 -4.103 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.809 3.486 -4.159 1.00 0.35 H new ATOM 0 HG LEU A 10 0.841 1.854 -2.218 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.209 0.527 -1.880 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.452 2.235 -1.444 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.088 1.611 -2.985 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.425 -0.091 -3.639 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.394 0.951 -4.826 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.340 1.174 -4.494 1.00 0.37 H new ATOM 153 N ARG A 11 2.223 5.196 -2.654 1.00 0.36 N ATOM 154 CA ARG A 11 3.589 5.514 -2.262 1.00 0.38 C ATOM 155 C ARG A 11 3.585 6.327 -0.970 1.00 0.39 C ATOM 156 O ARG A 11 4.357 6.054 -0.047 1.00 0.41 O ATOM 157 CB ARG A 11 4.248 6.298 -3.383 1.00 0.42 C ATOM 158 CG ARG A 11 5.700 6.655 -3.172 1.00 0.52 C ATOM 159 CD ARG A 11 6.194 7.469 -4.345 1.00 0.71 C ATOM 160 NE ARG A 11 5.420 8.696 -4.498 1.00 1.21 N ATOM 161 CZ ARG A 11 4.951 9.203 -5.639 1.00 1.60 C ATOM 162 NH1 ARG A 11 5.013 8.505 -6.787 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.340 10.367 -5.609 1.00 2.46 N ATOM 0 H ARG A 11 1.999 5.484 -3.607 1.00 0.36 H new ATOM 0 HA ARG A 11 4.149 4.596 -2.084 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.166 5.719 -4.303 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.686 7.219 -3.536 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.816 7.222 -2.248 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.297 5.749 -3.067 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.246 7.715 -4.203 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.125 6.876 -5.257 1.00 0.71 H new ATOM 0 HE ARG A 11 5.217 9.219 -3.646 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.424 7.571 -6.795 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.649 8.909 -7.650 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.232 10.864 -4.725 1.00 2.46 H new ATOM 0 HH22 ARG A 11 3.974 10.773 -6.470 1.00 2.46 H new ATOM 177 N ARG A 12 2.677 7.304 -0.917 1.00 0.42 N ATOM 178 CA ARG A 12 2.482 8.151 0.255 1.00 0.47 C ATOM 179 C ARG A 12 2.218 7.302 1.498 1.00 0.43 C ATOM 180 O ARG A 12 2.840 7.511 2.536 1.00 0.48 O ATOM 181 CB ARG A 12 1.312 9.119 0.028 1.00 0.60 C ATOM 182 CG ARG A 12 0.836 9.805 1.292 1.00 1.18 C ATOM 183 CD ARG A 12 -0.388 10.642 1.052 1.00 1.47 C ATOM 184 NE ARG A 12 -1.008 11.060 2.314 1.00 2.25 N ATOM 185 CZ ARG A 12 -1.939 12.007 2.425 1.00 2.83 C ATOM 186 NH1 ARG A 12 -2.196 12.812 1.392 1.00 2.60 N ATOM 187 NH2 ARG A 12 -2.580 12.185 3.580 1.00 3.93 N ATOM 0 H ARG A 12 2.054 7.529 -1.693 1.00 0.42 H new ATOM 0 HA ARG A 12 3.394 8.727 0.412 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.614 9.877 -0.695 1.00 0.60 H new ATOM 0 HB3 ARG A 12 0.479 8.572 -0.413 1.00 0.60 H new ATOM 0 HG2 ARG A 12 0.618 9.054 2.052 1.00 1.18 H new ATOM 0 HG3 ARG A 12 1.634 10.435 1.685 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.120 11.522 0.468 1.00 1.47 H new ATOM 0 HD3 ARG A 12 -1.108 10.075 0.462 1.00 1.47 H new ATOM 0 HE ARG A 12 -0.705 10.592 3.168 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -1.680 12.702 0.519 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -2.908 13.537 1.476 1.00 2.60 H new ATOM 0 HH21 ARG A 12 -2.358 11.595 4.382 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -3.292 12.911 3.662 1.00 3.93 H new ATOM 201 N ALA A 13 1.345 6.318 1.356 1.00 0.40 N ATOM 202 CA ALA A 13 0.970 5.445 2.456 1.00 0.42 C ATOM 203 C ALA A 13 2.173 4.685 2.987 1.00 0.41 C ATOM 204 O ALA A 13 2.336 4.546 4.202 1.00 0.50 O ATOM 205 CB ALA A 13 -0.107 4.481 2.016 1.00 0.45 C ATOM 0 H ALA A 13 0.877 6.102 0.476 1.00 0.40 H new ATOM 0 HA ALA A 13 0.581 6.066 3.263 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.378 3.833 2.850 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.984 5.040 1.690 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.264 3.874 1.190 1.00 0.45 H new ATOM 211 N LEU A 14 3.031 4.220 2.088 1.00 0.38 N ATOM 212 CA LEU A 14 4.247 3.523 2.496 1.00 0.46 C ATOM 213 C LEU A 14 5.183 4.449 3.254 1.00 0.54 C ATOM 214 O LEU A 14 5.718 4.074 4.310 1.00 0.69 O ATOM 215 CB LEU A 14 4.988 2.862 1.319 1.00 0.48 C ATOM 216 CG LEU A 14 4.495 1.481 0.858 1.00 0.54 C ATOM 217 CD1 LEU A 14 3.126 1.535 0.214 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.511 0.843 -0.065 1.00 1.44 C ATOM 0 H LEU A 14 2.911 4.311 1.079 1.00 0.38 H new ATOM 0 HA LEU A 14 3.925 2.721 3.160 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.938 3.539 0.466 1.00 0.48 H new ATOM 0 HB3 LEU A 14 6.039 2.770 1.592 1.00 0.48 H new ATOM 0 HG LEU A 14 4.389 0.861 1.748 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.828 0.532 -0.092 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.403 1.926 0.929 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.160 2.186 -0.660 1.00 1.21 H new ATOM 0 HD21 LEU A 14 5.149 -0.135 -0.384 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.658 1.478 -0.938 1.00 1.44 H new ATOM 0 HD23 LEU A 14 6.458 0.725 0.462 1.00 1.44 H new ATOM 230 N VAL A 15 5.350 5.660 2.744 1.00 0.53 N ATOM 231 CA VAL A 15 6.204 6.654 3.386 1.00 0.63 C ATOM 232 C VAL A 15 5.645 7.012 4.769 1.00 0.66 C ATOM 233 O VAL A 15 6.379 7.028 5.757 1.00 0.80 O ATOM 234 CB VAL A 15 6.345 7.947 2.524 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.274 8.949 3.202 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.870 7.614 1.136 1.00 0.71 C ATOM 0 H VAL A 15 4.905 5.981 1.884 1.00 0.53 H new ATOM 0 HA VAL A 15 7.196 6.214 3.491 1.00 0.63 H new ATOM 0 HB VAL A 15 5.356 8.394 2.427 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.358 9.843 2.584 1.00 0.76 H new ATOM 0 HG12 VAL A 15 6.869 9.219 4.177 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.260 8.502 3.330 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.961 8.530 0.552 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.848 7.140 1.221 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.178 6.934 0.639 1.00 0.71 H new ATOM 246 N GLU A 16 4.347 7.288 4.836 1.00 0.62 N ATOM 247 CA GLU A 16 3.705 7.631 6.099 1.00 0.71 C ATOM 248 C GLU A 16 3.769 6.473 7.105 1.00 0.74 C ATOM 249 O GLU A 16 3.875 6.693 8.300 1.00 0.89 O ATOM 250 CB GLU A 16 2.264 8.126 5.906 1.00 0.79 C ATOM 251 CG GLU A 16 2.158 9.386 5.051 1.00 0.87 C ATOM 252 CD GLU A 16 0.775 9.989 5.054 1.00 1.20 C ATOM 253 OE1 GLU A 16 -0.118 9.500 4.335 1.00 2.05 O ATOM 254 OE2 GLU A 16 0.543 10.963 5.808 1.00 1.38 O ATOM 0 H GLU A 16 3.720 7.281 4.032 1.00 0.62 H new ATOM 0 HA GLU A 16 4.273 8.462 6.518 1.00 0.71 H new ATOM 0 HB2 GLU A 16 1.676 7.333 5.444 1.00 0.79 H new ATOM 0 HB3 GLU A 16 1.823 8.322 6.883 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.871 10.126 5.415 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.441 9.147 4.026 1.00 0.87 H new ATOM 261 N SER A 17 3.738 5.257 6.610 1.00 0.68 N ATOM 262 CA SER A 17 3.803 4.080 7.448 1.00 0.77 C ATOM 263 C SER A 17 5.219 3.853 7.983 1.00 0.89 C ATOM 264 O SER A 17 5.425 3.722 9.202 1.00 1.15 O ATOM 265 CB SER A 17 3.326 2.858 6.664 1.00 0.73 C ATOM 266 OG SER A 17 3.311 1.677 7.455 1.00 1.39 O ATOM 0 H SER A 17 3.667 5.055 5.613 1.00 0.68 H new ATOM 0 HA SER A 17 3.148 4.235 8.305 1.00 0.77 H new ATOM 0 HB2 SER A 17 2.324 3.046 6.278 1.00 0.73 H new ATOM 0 HB3 SER A 17 3.976 2.706 5.802 1.00 0.73 H new ATOM 0 HG SER A 17 3.170 0.898 6.877 1.00 1.39 H new ATOM 400 N ASP A 29 6.394 5.166 -10.151 1.00 0.70 N ATOM 401 CA ASP A 29 5.689 3.906 -10.119 1.00 0.64 C ATOM 402 C ASP A 29 6.588 2.813 -9.654 1.00 0.55 C ATOM 403 O ASP A 29 7.378 2.269 -10.418 1.00 0.74 O ATOM 404 CB ASP A 29 5.061 3.530 -11.466 1.00 0.80 C ATOM 405 CG ASP A 29 3.826 4.316 -11.798 1.00 1.29 C ATOM 406 OD1 ASP A 29 3.945 5.429 -12.357 1.00 1.68 O ATOM 407 OD2 ASP A 29 2.702 3.865 -11.482 1.00 2.07 O ATOM 0 HA ASP A 29 4.870 4.034 -9.412 1.00 0.64 H new ATOM 0 HB2 ASP A 29 5.799 3.679 -12.255 1.00 0.80 H new ATOM 0 HB3 ASP A 29 4.814 2.468 -11.458 1.00 0.80 H new ATOM 412 N PHE A 30 6.472 2.492 -8.403 1.00 0.39 N ATOM 413 CA PHE A 30 7.283 1.451 -7.801 1.00 0.34 C ATOM 414 C PHE A 30 6.523 0.121 -7.806 1.00 0.31 C ATOM 415 O PHE A 30 6.917 -0.822 -7.158 1.00 0.31 O ATOM 416 CB PHE A 30 7.664 1.839 -6.352 1.00 0.35 C ATOM 417 CG PHE A 30 6.508 1.854 -5.368 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.573 2.876 -5.369 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.369 0.830 -4.442 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.526 2.874 -4.471 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.326 0.823 -3.542 1.00 0.38 C ATOM 422 CZ PHE A 30 4.401 1.846 -3.557 1.00 0.42 C ATOM 0 H PHE A 30 5.816 2.937 -7.761 1.00 0.39 H new ATOM 0 HA PHE A 30 8.196 1.338 -8.385 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.420 1.141 -5.991 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.123 2.827 -6.365 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.665 3.683 -6.081 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.090 0.026 -4.427 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.804 3.677 -4.483 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.233 0.019 -2.827 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.580 1.843 -2.855 1.00 0.42 H new ATOM 432 N LEU A 31 5.435 0.068 -8.567 1.00 0.31 N ATOM 433 CA LEU A 31 4.532 -1.095 -8.630 1.00 0.31 C ATOM 434 C LEU A 31 5.209 -2.459 -8.885 1.00 0.31 C ATOM 435 O LEU A 31 4.646 -3.495 -8.527 1.00 0.35 O ATOM 436 CB LEU A 31 3.386 -0.872 -9.613 1.00 0.33 C ATOM 437 CG LEU A 31 2.440 0.296 -9.314 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.292 0.288 -10.294 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.908 0.228 -7.892 1.00 0.32 C ATOM 0 H LEU A 31 5.144 0.838 -9.169 1.00 0.31 H new ATOM 0 HA LEU A 31 4.135 -1.163 -7.617 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.813 -0.719 -10.604 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.794 -1.786 -9.659 1.00 0.33 H new ATOM 0 HG LEU A 31 3.003 1.223 -9.418 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.623 1.120 -10.077 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.679 0.388 -11.308 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.745 -0.650 -10.206 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.240 1.071 -7.713 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.361 -0.704 -7.752 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.741 0.269 -7.190 1.00 0.32 H new ATOM 451 N ASP A 32 6.390 -2.462 -9.492 1.00 0.31 N ATOM 452 CA ASP A 32 7.088 -3.727 -9.766 1.00 0.37 C ATOM 453 C ASP A 32 8.118 -4.050 -8.668 1.00 0.37 C ATOM 454 O ASP A 32 8.676 -5.156 -8.611 1.00 0.45 O ATOM 455 CB ASP A 32 7.752 -3.706 -11.161 1.00 0.48 C ATOM 456 CG ASP A 32 8.375 -5.043 -11.550 1.00 1.29 C ATOM 457 OD1 ASP A 32 7.630 -6.025 -11.762 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.618 -5.142 -11.628 1.00 1.83 O ATOM 0 H ASP A 32 6.882 -1.624 -9.801 1.00 0.31 H new ATOM 0 HA ASP A 32 6.342 -4.521 -9.762 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.007 -3.429 -11.907 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.522 -2.935 -11.178 1.00 0.48 H new ATOM 463 N LEU A 33 8.354 -3.105 -7.782 1.00 0.35 N ATOM 464 CA LEU A 33 9.294 -3.303 -6.684 1.00 0.37 C ATOM 465 C LEU A 33 8.639 -4.105 -5.599 1.00 0.34 C ATOM 466 O LEU A 33 7.604 -3.726 -5.089 1.00 0.40 O ATOM 467 CB LEU A 33 9.825 -1.971 -6.087 1.00 0.41 C ATOM 468 CG LEU A 33 10.884 -1.174 -6.879 1.00 0.51 C ATOM 469 CD1 LEU A 33 12.117 -2.012 -7.137 1.00 1.37 C ATOM 470 CD2 LEU A 33 10.332 -0.605 -8.168 1.00 1.27 C ATOM 0 H LEU A 33 7.909 -2.187 -7.796 1.00 0.35 H new ATOM 0 HA LEU A 33 10.152 -3.835 -7.096 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.969 -1.316 -5.928 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.244 -2.192 -5.105 1.00 0.41 H new ATOM 0 HG LEU A 33 11.172 -0.326 -6.257 1.00 0.51 H new ATOM 0 HD11 LEU A 33 12.845 -1.425 -7.696 1.00 1.37 H new ATOM 0 HD12 LEU A 33 12.553 -2.321 -6.187 1.00 1.37 H new ATOM 0 HD13 LEU A 33 11.843 -2.895 -7.714 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.116 -0.054 -8.687 1.00 1.27 H new ATOM 0 HD22 LEU A 33 9.978 -1.418 -8.803 1.00 1.27 H new ATOM 0 HD23 LEU A 33 9.504 0.067 -7.944 1.00 1.27 H new ATOM 482 N ARG A 34 9.240 -5.202 -5.244 1.00 0.33 N ATOM 483 CA ARG A 34 8.691 -6.055 -4.224 1.00 0.34 C ATOM 484 C ARG A 34 8.942 -5.408 -2.884 1.00 0.29 C ATOM 485 O ARG A 34 10.008 -4.828 -2.675 1.00 0.34 O ATOM 486 CB ARG A 34 9.350 -7.438 -4.256 1.00 0.47 C ATOM 487 CG ARG A 34 9.187 -8.201 -5.567 1.00 0.61 C ATOM 488 CD ARG A 34 9.804 -9.591 -5.462 1.00 1.10 C ATOM 489 NE ARG A 34 9.167 -10.372 -4.395 1.00 1.91 N ATOM 490 CZ ARG A 34 9.770 -11.264 -3.599 1.00 3.03 C ATOM 491 NH1 ARG A 34 11.022 -11.632 -3.811 1.00 3.63 N ATOM 492 NH2 ARG A 34 9.094 -11.794 -2.599 1.00 3.94 N ATOM 0 H ARG A 34 10.117 -5.531 -5.647 1.00 0.33 H new ATOM 0 HA ARG A 34 7.623 -6.185 -4.397 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.414 -7.321 -4.051 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.934 -8.041 -3.448 1.00 0.47 H new ATOM 0 HG2 ARG A 34 8.129 -8.285 -5.815 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.662 -7.647 -6.377 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.696 -10.113 -6.413 1.00 1.10 H new ATOM 0 HD3 ARG A 34 10.873 -9.504 -5.265 1.00 1.10 H new ATOM 0 HE ARG A 34 8.169 -10.221 -4.246 1.00 1.91 H new ATOM 0 HH11 ARG A 34 11.545 -11.235 -4.592 1.00 3.63 H new ATOM 0 HH12 ARG A 34 11.465 -12.313 -3.194 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.124 -11.523 -2.439 1.00 3.94 H new ATOM 0 HH22 ARG A 34 9.541 -12.475 -1.985 1.00 3.94 H new ATOM 506 N PHE A 35 7.989 -5.498 -1.978 1.00 0.25 N ATOM 507 CA PHE A 35 8.137 -4.881 -0.667 1.00 0.24 C ATOM 508 C PHE A 35 9.349 -5.460 0.056 1.00 0.27 C ATOM 509 O PHE A 35 10.126 -4.724 0.655 1.00 0.29 O ATOM 510 CB PHE A 35 6.881 -5.040 0.185 1.00 0.26 C ATOM 511 CG PHE A 35 5.629 -4.543 -0.465 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.392 -3.187 -0.624 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.681 -5.433 -0.898 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.223 -2.747 -1.215 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.519 -5.003 -1.486 1.00 0.32 C ATOM 516 CZ PHE A 35 3.287 -3.667 -1.643 1.00 0.35 C ATOM 0 H PHE A 35 7.106 -5.989 -2.120 1.00 0.25 H new ATOM 0 HA PHE A 35 8.290 -3.813 -0.823 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.755 -6.094 0.432 1.00 0.26 H new ATOM 0 HB3 PHE A 35 7.024 -4.508 1.125 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.125 -2.470 -0.284 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.852 -6.492 -0.774 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.043 -1.690 -1.341 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.787 -5.722 -1.825 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.370 -3.329 -2.103 1.00 0.35 H new ATOM 526 N GLU A 36 9.527 -6.771 -0.051 1.00 0.37 N ATOM 527 CA GLU A 36 10.679 -7.465 0.528 1.00 0.47 C ATOM 528 C GLU A 36 12.010 -6.895 -0.014 1.00 0.46 C ATOM 529 O GLU A 36 13.029 -6.926 0.650 1.00 0.51 O ATOM 530 CB GLU A 36 10.583 -8.974 0.238 1.00 0.64 C ATOM 531 CG GLU A 36 11.675 -9.817 0.888 1.00 1.56 C ATOM 532 CD GLU A 36 11.688 -9.677 2.392 1.00 2.12 C ATOM 533 OE1 GLU A 36 10.817 -10.264 3.056 1.00 2.45 O ATOM 534 OE2 GLU A 36 12.553 -8.960 2.934 1.00 2.79 O ATOM 0 H GLU A 36 8.878 -7.387 -0.541 1.00 0.37 H new ATOM 0 HA GLU A 36 10.665 -7.306 1.606 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.613 -9.335 0.579 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.619 -9.126 -0.841 1.00 0.64 H new ATOM 0 HG2 GLU A 36 11.528 -10.864 0.624 1.00 1.56 H new ATOM 0 HG3 GLU A 36 12.645 -9.521 0.489 1.00 1.56 H new ATOM 541 N ASP A 37 11.970 -6.358 -1.205 1.00 0.44 N ATOM 542 CA ASP A 37 13.154 -5.823 -1.871 1.00 0.50 C ATOM 543 C ASP A 37 13.420 -4.387 -1.436 1.00 0.48 C ATOM 544 O ASP A 37 14.566 -3.979 -1.260 1.00 0.60 O ATOM 545 CB ASP A 37 12.965 -5.914 -3.386 1.00 0.57 C ATOM 546 CG ASP A 37 14.119 -5.364 -4.201 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.205 -5.982 -4.190 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.986 -4.253 -4.772 1.00 0.88 O ATOM 0 H ASP A 37 11.114 -6.274 -1.754 1.00 0.44 H new ATOM 0 HA ASP A 37 14.024 -6.414 -1.586 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.811 -6.958 -3.657 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.057 -5.377 -3.658 1.00 0.57 H new ATOM 553 N ILE A 38 12.355 -3.647 -1.178 1.00 0.40 N ATOM 554 CA ILE A 38 12.479 -2.244 -0.781 1.00 0.42 C ATOM 555 C ILE A 38 12.510 -2.062 0.741 1.00 0.42 C ATOM 556 O ILE A 38 12.367 -0.946 1.252 1.00 0.50 O ATOM 557 CB ILE A 38 11.382 -1.337 -1.410 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.973 -1.853 -1.059 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.575 -1.238 -2.919 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.833 -1.020 -1.613 1.00 0.60 C ATOM 0 H ILE A 38 11.395 -3.988 -1.234 1.00 0.40 H new ATOM 0 HA ILE A 38 13.442 -1.922 -1.178 1.00 0.42 H new ATOM 0 HB ILE A 38 11.479 -0.336 -0.990 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.872 -2.873 -1.430 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.878 -1.897 0.026 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.800 -0.600 -3.344 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.554 -0.810 -3.133 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.509 -2.232 -3.360 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.882 -1.461 -1.314 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.901 -0.005 -1.223 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.896 -0.995 -2.701 1.00 0.60 H new ATOM 572 N GLY A 39 12.771 -3.146 1.450 1.00 0.42 N ATOM 573 CA GLY A 39 12.912 -3.092 2.891 1.00 0.50 C ATOM 574 C GLY A 39 11.594 -2.986 3.619 1.00 0.47 C ATOM 575 O GLY A 39 11.455 -2.200 4.550 1.00 0.66 O ATOM 0 H GLY A 39 12.890 -4.076 1.048 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.436 -3.985 3.231 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.535 -2.237 3.156 1.00 0.50 H new ATOM 579 N TYR A 40 10.626 -3.750 3.191 1.00 0.36 N ATOM 580 CA TYR A 40 9.330 -3.777 3.827 1.00 0.36 C ATOM 581 C TYR A 40 8.924 -5.187 4.187 1.00 0.42 C ATOM 582 O TYR A 40 8.783 -6.049 3.307 1.00 0.59 O ATOM 583 CB TYR A 40 8.250 -3.170 2.925 1.00 0.36 C ATOM 584 CG TYR A 40 8.143 -1.665 2.930 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.177 -0.899 2.417 1.00 0.70 C ATOM 586 CD2 TYR A 40 7.042 -1.011 3.460 1.00 0.64 C ATOM 587 CE1 TYR A 40 9.122 0.471 2.424 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.971 0.365 3.475 1.00 0.90 C ATOM 589 CZ TYR A 40 7.884 1.097 2.920 1.00 1.04 C ATOM 590 OH TYR A 40 7.940 2.482 2.981 1.00 1.33 O ATOM 0 H TYR A 40 10.711 -4.375 2.389 1.00 0.36 H new ATOM 0 HA TYR A 40 9.417 -3.181 4.736 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.436 -3.496 1.902 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.285 -3.583 3.221 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.045 -1.391 2.003 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.226 -1.589 3.868 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.954 1.068 2.079 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.134 0.844 3.961 1.00 0.90 H new ATOM 0 HH TYR A 40 7.202 2.815 3.533 1.00 1.33 H new ATOM 600 N ASP A 41 8.764 -5.443 5.460 1.00 0.42 N ATOM 601 CA ASP A 41 8.196 -6.709 5.882 1.00 0.51 C ATOM 602 C ASP A 41 6.727 -6.594 5.838 1.00 0.44 C ATOM 603 O ASP A 41 6.183 -5.492 5.981 1.00 0.38 O ATOM 604 CB ASP A 41 8.561 -7.122 7.298 1.00 0.67 C ATOM 605 CG ASP A 41 9.956 -7.646 7.472 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.148 -8.868 7.340 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.877 -6.867 7.815 1.00 0.99 O ATOM 0 H ASP A 41 9.013 -4.806 6.217 1.00 0.42 H new ATOM 0 HA ASP A 41 8.600 -7.462 5.205 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.428 -6.263 7.955 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.859 -7.887 7.628 1.00 0.67 H new ATOM 612 N SER A 42 6.079 -7.694 5.625 1.00 0.51 N ATOM 613 CA SER A 42 4.648 -7.762 5.619 1.00 0.48 C ATOM 614 C SER A 42 3.995 -7.184 6.896 1.00 0.41 C ATOM 615 O SER A 42 2.913 -6.628 6.830 1.00 0.37 O ATOM 616 CB SER A 42 4.205 -9.164 5.289 1.00 0.59 C ATOM 617 OG SER A 42 4.888 -10.124 6.084 1.00 1.03 O ATOM 0 H SER A 42 6.536 -8.589 5.447 1.00 0.51 H new ATOM 0 HA SER A 42 4.283 -7.104 4.830 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.131 -9.255 5.449 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.388 -9.366 4.234 1.00 0.59 H new ATOM 0 HG SER A 42 4.578 -11.024 5.849 1.00 1.03 H new ATOM 623 N LEU A 43 4.686 -7.274 8.036 1.00 0.45 N ATOM 624 CA LEU A 43 4.195 -6.700 9.290 1.00 0.46 C ATOM 625 C LEU A 43 4.083 -5.179 9.122 1.00 0.41 C ATOM 626 O LEU A 43 3.004 -4.600 9.327 1.00 0.41 O ATOM 627 CB LEU A 43 5.167 -7.093 10.445 1.00 0.59 C ATOM 628 CG LEU A 43 4.801 -6.743 11.914 1.00 0.75 C ATOM 629 CD1 LEU A 43 5.736 -7.484 12.844 1.00 1.56 C ATOM 630 CD2 LEU A 43 4.925 -5.249 12.203 1.00 1.24 C ATOM 0 H LEU A 43 5.590 -7.741 8.115 1.00 0.45 H new ATOM 0 HA LEU A 43 3.208 -7.087 9.542 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.313 -8.172 10.394 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.131 -6.631 10.231 1.00 0.59 H new ATOM 0 HG LEU A 43 3.763 -7.036 12.071 1.00 0.75 H new ATOM 0 HD11 LEU A 43 5.486 -7.244 13.878 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.632 -8.557 12.685 1.00 1.56 H new ATOM 0 HD13 LEU A 43 6.764 -7.185 12.640 1.00 1.56 H new ATOM 0 HD21 LEU A 43 4.659 -5.056 13.242 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.952 -4.928 12.026 1.00 1.24 H new ATOM 0 HD23 LEU A 43 4.254 -4.695 11.547 1.00 1.24 H new ATOM 642 N ALA A 44 5.179 -4.556 8.721 1.00 0.39 N ATOM 643 CA ALA A 44 5.228 -3.122 8.458 1.00 0.39 C ATOM 644 C ALA A 44 4.278 -2.739 7.326 1.00 0.34 C ATOM 645 O ALA A 44 3.672 -1.675 7.343 1.00 0.40 O ATOM 646 CB ALA A 44 6.648 -2.698 8.119 1.00 0.43 C ATOM 0 H ALA A 44 6.068 -5.032 8.567 1.00 0.39 H new ATOM 0 HA ALA A 44 4.908 -2.601 9.360 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.671 -1.626 7.925 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.306 -2.929 8.956 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.986 -3.235 7.232 1.00 0.43 H new ATOM 652 N LEU A 45 4.167 -3.612 6.349 1.00 0.29 N ATOM 653 CA LEU A 45 3.266 -3.428 5.223 1.00 0.28 C ATOM 654 C LEU A 45 1.803 -3.424 5.687 1.00 0.25 C ATOM 655 O LEU A 45 0.986 -2.639 5.206 1.00 0.26 O ATOM 656 CB LEU A 45 3.494 -4.527 4.194 1.00 0.30 C ATOM 657 CG LEU A 45 2.587 -4.516 2.974 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.746 -3.224 2.193 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.900 -5.700 2.103 1.00 0.38 C ATOM 0 H LEU A 45 4.703 -4.479 6.310 1.00 0.29 H new ATOM 0 HA LEU A 45 3.476 -2.462 4.765 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.527 -4.464 3.851 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.382 -5.490 4.693 1.00 0.30 H new ATOM 0 HG LEU A 45 1.551 -4.580 3.306 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.087 -3.240 1.325 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.486 -2.379 2.831 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.780 -3.124 1.862 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.249 -5.691 1.229 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.940 -5.650 1.781 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.738 -6.619 2.666 1.00 0.38 H new ATOM 671 N MET A 46 1.467 -4.306 6.605 1.00 0.24 N ATOM 672 CA MET A 46 0.128 -4.333 7.158 1.00 0.23 C ATOM 673 C MET A 46 -0.184 -3.062 7.923 1.00 0.25 C ATOM 674 O MET A 46 -1.296 -2.621 7.920 1.00 0.27 O ATOM 675 CB MET A 46 -0.155 -5.596 7.970 1.00 0.27 C ATOM 676 CG MET A 46 -0.186 -6.853 7.106 1.00 0.34 C ATOM 677 SD MET A 46 -0.425 -8.381 8.031 1.00 0.50 S ATOM 678 CE MET A 46 1.098 -8.446 8.968 1.00 1.49 C ATOM 0 H MET A 46 2.099 -5.011 6.983 1.00 0.24 H new ATOM 0 HA MET A 46 -0.560 -4.372 6.313 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.608 -5.707 8.740 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.111 -5.488 8.482 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.987 -6.756 6.373 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.749 -6.921 6.550 1.00 0.34 H new ATOM 0 HE1 MET A 46 1.143 -9.382 9.525 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.947 -8.388 8.287 1.00 1.49 H new ATOM 0 HE3 MET A 46 1.133 -7.608 9.664 1.00 1.49 H new ATOM 688 N GLU A 47 0.837 -2.457 8.541 1.00 0.29 N ATOM 689 CA GLU A 47 0.698 -1.145 9.213 1.00 0.34 C ATOM 690 C GLU A 47 0.340 -0.071 8.163 1.00 0.32 C ATOM 691 O GLU A 47 -0.408 0.850 8.421 1.00 0.36 O ATOM 692 CB GLU A 47 2.018 -0.780 9.918 1.00 0.45 C ATOM 693 CG GLU A 47 2.060 0.599 10.587 1.00 0.58 C ATOM 694 CD GLU A 47 1.148 0.735 11.787 1.00 1.03 C ATOM 695 OE1 GLU A 47 1.583 0.382 12.907 1.00 1.25 O ATOM 696 OE2 GLU A 47 0.017 1.226 11.648 1.00 1.88 O ATOM 0 H GLU A 47 1.776 -2.852 8.594 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.095 -1.196 9.959 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.224 -1.536 10.675 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.825 -0.833 9.187 1.00 0.45 H new ATOM 0 HG2 GLU A 47 3.084 0.809 10.897 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.789 1.356 9.851 1.00 0.58 H new ATOM 703 N THR A 48 0.855 -0.256 6.976 1.00 0.30 N ATOM 704 CA THR A 48 0.639 0.633 5.854 1.00 0.33 C ATOM 705 C THR A 48 -0.827 0.545 5.482 1.00 0.29 C ATOM 706 O THR A 48 -1.549 1.552 5.442 1.00 0.33 O ATOM 707 CB THR A 48 1.524 0.182 4.671 1.00 0.36 C ATOM 708 OG1 THR A 48 2.889 0.099 5.111 1.00 0.42 O ATOM 709 CG2 THR A 48 1.421 1.152 3.508 1.00 0.45 C ATOM 0 H THR A 48 1.454 -1.051 6.752 1.00 0.30 H new ATOM 0 HA THR A 48 0.901 1.661 6.106 1.00 0.33 H new ATOM 0 HB THR A 48 1.178 -0.794 4.329 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.456 -0.188 4.365 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.055 0.808 2.690 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.387 1.204 3.168 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.748 2.141 3.829 1.00 0.45 H new ATOM 717 N ALA A 49 -1.254 -0.687 5.225 1.00 0.25 N ATOM 718 CA ALA A 49 -2.630 -0.995 4.938 1.00 0.24 C ATOM 719 C ALA A 49 -3.519 -0.525 6.089 1.00 0.22 C ATOM 720 O ALA A 49 -4.581 0.001 5.862 1.00 0.23 O ATOM 721 CB ALA A 49 -2.794 -2.491 4.706 1.00 0.27 C ATOM 0 H ALA A 49 -0.639 -1.501 5.213 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.933 -0.472 4.031 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.839 -2.713 4.490 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.176 -2.798 3.863 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.485 -3.034 5.599 1.00 0.27 H new ATOM 727 N ALA A 50 -3.041 -0.710 7.315 1.00 0.23 N ATOM 728 CA ALA A 50 -3.735 -0.311 8.515 1.00 0.26 C ATOM 729 C ALA A 50 -4.032 1.174 8.530 1.00 0.28 C ATOM 730 O ALA A 50 -5.146 1.594 8.855 1.00 0.30 O ATOM 731 CB ALA A 50 -2.974 -0.711 9.765 1.00 0.33 C ATOM 0 H ALA A 50 -2.140 -1.152 7.496 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.686 -0.843 8.513 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.530 -0.393 10.647 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.851 -1.794 9.785 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -1.994 -0.234 9.762 1.00 0.33 H new ATOM 737 N ARG A 51 -3.032 1.961 8.183 1.00 0.31 N ATOM 738 CA ARG A 51 -3.171 3.399 8.108 1.00 0.37 C ATOM 739 C ARG A 51 -4.153 3.768 7.005 1.00 0.36 C ATOM 740 O ARG A 51 -4.945 4.693 7.150 1.00 0.40 O ATOM 741 CB ARG A 51 -1.810 4.062 7.889 1.00 0.45 C ATOM 742 CG ARG A 51 -0.820 3.786 9.012 1.00 0.54 C ATOM 743 CD ARG A 51 0.515 4.442 8.758 1.00 0.70 C ATOM 744 NE ARG A 51 1.507 4.102 9.796 1.00 1.59 N ATOM 745 CZ ARG A 51 2.121 5.002 10.587 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.768 6.279 10.534 1.00 1.27 N ATOM 747 NH2 ARG A 51 3.083 4.622 11.421 1.00 2.84 N ATOM 0 H ARG A 51 -2.101 1.619 7.945 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.566 3.768 9.054 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.389 3.709 6.947 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -1.949 5.139 7.793 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.230 4.149 9.955 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.682 2.710 9.118 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.891 4.132 7.783 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.386 5.524 8.721 1.00 0.70 H new ATOM 0 HE ARG A 51 1.744 3.118 9.923 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.032 6.579 9.894 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.232 6.962 11.133 1.00 1.27 H new ATOM 0 HH21 ARG A 51 3.362 3.642 11.465 1.00 2.84 H new ATOM 0 HH22 ARG A 51 3.543 5.310 12.017 1.00 2.84 H new ATOM 761 N LEU A 52 -4.112 3.016 5.913 1.00 0.32 N ATOM 762 CA LEU A 52 -5.045 3.183 4.816 1.00 0.34 C ATOM 763 C LEU A 52 -6.467 2.834 5.248 1.00 0.33 C ATOM 764 O LEU A 52 -7.422 3.518 4.850 1.00 0.37 O ATOM 765 CB LEU A 52 -4.606 2.359 3.610 1.00 0.35 C ATOM 766 CG LEU A 52 -3.372 2.886 2.877 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.923 1.907 1.810 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.678 4.243 2.250 1.00 0.69 C ATOM 0 H LEU A 52 -3.429 2.273 5.767 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.045 4.232 4.521 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.405 1.340 3.940 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.435 2.308 2.904 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.563 3.001 3.599 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -2.044 2.302 1.301 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.676 0.952 2.273 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.726 1.763 1.088 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.794 4.611 1.730 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.499 4.139 1.541 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.960 4.949 3.031 1.00 0.69 H new ATOM 780 N GLU A 53 -6.598 1.784 6.069 1.00 0.29 N ATOM 781 CA GLU A 53 -7.876 1.395 6.647 1.00 0.32 C ATOM 782 C GLU A 53 -8.456 2.554 7.406 1.00 0.35 C ATOM 783 O GLU A 53 -9.566 2.985 7.133 1.00 0.42 O ATOM 784 CB GLU A 53 -7.749 0.212 7.620 1.00 0.32 C ATOM 785 CG GLU A 53 -7.302 -1.099 7.022 1.00 0.34 C ATOM 786 CD GLU A 53 -7.402 -2.221 8.021 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.451 -2.423 8.804 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.406 -2.952 8.021 1.00 0.48 O ATOM 0 H GLU A 53 -5.819 1.186 6.346 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.518 1.094 5.819 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.045 0.488 8.405 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.716 0.058 8.099 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.914 -1.330 6.150 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.273 -1.010 6.674 1.00 0.34 H new ATOM 795 N SER A 54 -7.677 3.071 8.336 1.00 0.35 N ATOM 796 CA SER A 54 -8.102 4.183 9.168 1.00 0.41 C ATOM 797 C SER A 54 -8.391 5.449 8.341 1.00 0.45 C ATOM 798 O SER A 54 -9.365 6.160 8.592 1.00 0.55 O ATOM 799 CB SER A 54 -7.038 4.456 10.222 1.00 0.47 C ATOM 800 OG SER A 54 -6.774 3.275 10.968 1.00 1.19 O ATOM 0 H SER A 54 -6.735 2.735 8.537 1.00 0.35 H new ATOM 0 HA SER A 54 -9.038 3.908 9.654 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.123 4.805 9.744 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.372 5.250 10.890 1.00 0.47 H new ATOM 0 HG SER A 54 -6.182 2.688 10.453 1.00 1.19 H new ATOM 806 N ARG A 55 -7.552 5.704 7.359 1.00 0.44 N ATOM 807 CA ARG A 55 -7.671 6.873 6.510 1.00 0.54 C ATOM 808 C ARG A 55 -8.948 6.834 5.641 1.00 0.56 C ATOM 809 O ARG A 55 -9.719 7.792 5.634 1.00 0.68 O ATOM 810 CB ARG A 55 -6.391 7.018 5.658 1.00 0.63 C ATOM 811 CG ARG A 55 -6.307 8.246 4.760 1.00 0.83 C ATOM 812 CD ARG A 55 -4.937 8.305 4.075 1.00 1.08 C ATOM 813 NE ARG A 55 -4.830 9.391 3.090 1.00 1.65 N ATOM 814 CZ ARG A 55 -4.243 9.252 1.886 1.00 2.21 C ATOM 815 NH1 ARG A 55 -3.424 8.235 1.668 1.00 2.35 N ATOM 816 NH2 ARG A 55 -4.377 10.194 0.947 1.00 3.07 N ATOM 0 H ARG A 55 -6.762 5.102 7.125 1.00 0.44 H new ATOM 0 HA ARG A 55 -7.772 7.755 7.142 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.533 7.028 6.330 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.295 6.131 5.032 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.096 8.212 4.009 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -6.467 9.149 5.349 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -4.164 8.433 4.833 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -4.744 7.353 3.580 1.00 1.08 H new ATOM 0 HE ARG A 55 -5.222 10.301 3.332 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -3.240 7.560 2.411 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -2.977 8.126 0.757 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -4.929 11.030 1.139 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -3.927 10.077 0.039 1.00 3.07 H new ATOM 830 N TYR A 56 -9.189 5.719 4.960 1.00 0.50 N ATOM 831 CA TYR A 56 -10.310 5.624 4.010 1.00 0.57 C ATOM 832 C TYR A 56 -11.565 4.950 4.560 1.00 0.61 C ATOM 833 O TYR A 56 -12.616 4.989 3.914 1.00 0.74 O ATOM 834 CB TYR A 56 -9.870 4.949 2.706 1.00 0.62 C ATOM 835 CG TYR A 56 -8.911 5.787 1.903 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.387 6.729 1.008 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.538 5.655 2.050 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.527 7.519 0.284 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.669 6.439 1.323 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.171 7.370 0.441 1.00 0.91 C ATOM 841 OH TYR A 56 -6.309 8.184 -0.271 1.00 1.01 O ATOM 0 H TYR A 56 -8.631 4.869 5.042 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.596 6.657 3.814 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.401 3.993 2.939 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.750 4.733 2.100 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.453 6.845 0.876 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.145 4.927 2.744 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -8.916 8.254 -0.405 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.602 6.324 1.444 1.00 0.85 H new ATOM 0 HH TYR A 56 -5.424 7.766 -0.312 1.00 1.01 H new ATOM 851 N GLY A 57 -11.469 4.328 5.712 1.00 0.58 N ATOM 852 CA GLY A 57 -12.629 3.666 6.291 1.00 0.66 C ATOM 853 C GLY A 57 -12.938 2.371 5.568 1.00 0.71 C ATOM 854 O GLY A 57 -14.060 2.147 5.107 1.00 0.93 O ATOM 0 H GLY A 57 -10.615 4.263 6.265 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.446 3.462 7.346 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.493 4.329 6.240 1.00 0.66 H new ATOM 858 N VAL A 58 -11.940 1.534 5.461 1.00 0.60 N ATOM 859 CA VAL A 58 -12.047 0.276 4.757 1.00 0.65 C ATOM 860 C VAL A 58 -11.394 -0.807 5.604 1.00 0.60 C ATOM 861 O VAL A 58 -10.394 -0.553 6.251 1.00 0.70 O ATOM 862 CB VAL A 58 -11.372 0.373 3.337 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.892 0.745 3.421 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.565 -0.912 2.539 1.00 1.16 C ATOM 0 H VAL A 58 -11.018 1.705 5.863 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.096 0.028 4.597 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.877 1.181 2.808 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.473 0.799 2.416 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.787 1.713 3.910 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.359 -0.012 3.996 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.087 -0.811 1.565 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.116 -1.746 3.078 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.630 -1.099 2.403 1.00 1.16 H new ATOM 874 N SER A 59 -12.011 -1.947 5.690 1.00 0.62 N ATOM 875 CA SER A 59 -11.484 -3.039 6.476 1.00 0.67 C ATOM 876 C SER A 59 -10.694 -4.021 5.585 1.00 0.59 C ATOM 877 O SER A 59 -11.260 -4.649 4.678 1.00 0.72 O ATOM 878 CB SER A 59 -12.636 -3.736 7.190 1.00 0.92 C ATOM 879 OG SER A 59 -13.405 -2.781 7.925 1.00 1.87 O ATOM 0 H SER A 59 -12.893 -2.153 5.221 1.00 0.62 H new ATOM 0 HA SER A 59 -10.789 -2.653 7.222 1.00 0.67 H new ATOM 0 HB2 SER A 59 -13.270 -4.245 6.464 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.248 -4.499 7.864 1.00 0.92 H new ATOM 0 HG SER A 59 -14.144 -3.236 8.380 1.00 1.87 H new ATOM 885 N ILE A 60 -9.398 -4.108 5.820 1.00 0.48 N ATOM 886 CA ILE A 60 -8.514 -4.989 5.068 1.00 0.45 C ATOM 887 C ILE A 60 -8.148 -6.217 5.919 1.00 0.51 C ATOM 888 O ILE A 60 -7.609 -6.066 7.026 1.00 0.57 O ATOM 889 CB ILE A 60 -7.200 -4.256 4.667 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.512 -2.980 3.870 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.288 -5.181 3.852 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.287 -2.153 3.553 1.00 0.41 C ATOM 0 H ILE A 60 -8.923 -3.567 6.542 1.00 0.48 H new ATOM 0 HA ILE A 60 -9.042 -5.297 4.166 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.678 -3.975 5.582 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -8.006 -3.255 2.938 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -8.216 -2.370 4.436 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.376 -4.648 3.583 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -6.033 -6.058 4.447 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.805 -5.496 2.946 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.581 -1.268 2.989 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.804 -1.848 4.481 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.591 -2.746 2.960 1.00 0.41 H new ATOM 904 N PRO A 61 -8.441 -7.436 5.430 1.00 0.58 N ATOM 905 CA PRO A 61 -8.106 -8.684 6.136 1.00 0.66 C ATOM 906 C PRO A 61 -6.583 -8.923 6.200 1.00 0.56 C ATOM 907 O PRO A 61 -5.883 -8.842 5.173 1.00 0.44 O ATOM 908 CB PRO A 61 -8.780 -9.774 5.286 1.00 0.78 C ATOM 909 CG PRO A 61 -9.751 -9.048 4.417 1.00 0.87 C ATOM 910 CD PRO A 61 -9.145 -7.704 4.169 1.00 0.66 C ATOM 0 HA PRO A 61 -8.442 -8.667 7.173 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -8.047 -10.317 4.689 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.286 -10.507 5.915 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.915 -9.582 3.481 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.721 -8.956 4.905 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.464 -7.717 3.318 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.903 -6.949 3.959 1.00 0.66 H new ATOM 918 N ASP A 62 -6.099 -9.245 7.400 1.00 0.67 N ATOM 919 CA ASP A 62 -4.659 -9.451 7.708 1.00 0.67 C ATOM 920 C ASP A 62 -3.968 -10.431 6.775 1.00 0.54 C ATOM 921 O ASP A 62 -2.848 -10.184 6.341 1.00 0.52 O ATOM 922 CB ASP A 62 -4.431 -9.912 9.162 1.00 0.90 C ATOM 923 CG ASP A 62 -4.704 -8.850 10.205 1.00 1.18 C ATOM 924 OD1 ASP A 62 -3.804 -8.020 10.489 1.00 1.83 O ATOM 925 OD2 ASP A 62 -5.817 -8.808 10.752 1.00 1.29 O ATOM 0 H ASP A 62 -6.701 -9.376 8.213 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.212 -8.468 7.560 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -5.069 -10.773 9.362 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -3.400 -10.249 9.266 1.00 0.90 H new ATOM 930 N ASP A 63 -4.647 -11.522 6.426 1.00 0.56 N ATOM 931 CA ASP A 63 -4.031 -12.558 5.574 1.00 0.55 C ATOM 932 C ASP A 63 -3.794 -12.030 4.194 1.00 0.44 C ATOM 933 O ASP A 63 -2.761 -12.292 3.597 1.00 0.46 O ATOM 934 CB ASP A 63 -4.881 -13.839 5.464 1.00 0.75 C ATOM 935 CG ASP A 63 -4.984 -14.629 6.740 1.00 1.54 C ATOM 936 OD1 ASP A 63 -4.000 -15.294 7.118 1.00 1.84 O ATOM 937 OD2 ASP A 63 -6.040 -14.590 7.392 1.00 2.34 O ATOM 0 H ASP A 63 -5.607 -11.717 6.710 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.089 -12.818 6.058 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.885 -13.567 5.137 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -4.456 -14.477 4.689 1.00 0.75 H new ATOM 942 N VAL A 64 -4.723 -11.234 3.722 1.00 0.41 N ATOM 943 CA VAL A 64 -4.650 -10.667 2.392 1.00 0.40 C ATOM 944 C VAL A 64 -3.614 -9.539 2.390 1.00 0.34 C ATOM 945 O VAL A 64 -2.802 -9.424 1.472 1.00 0.41 O ATOM 946 CB VAL A 64 -6.034 -10.128 1.945 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.994 -9.665 0.502 1.00 0.65 C ATOM 948 CG2 VAL A 64 -7.111 -11.191 2.134 1.00 0.66 C ATOM 0 H VAL A 64 -5.553 -10.959 4.248 1.00 0.41 H new ATOM 0 HA VAL A 64 -4.352 -11.443 1.687 1.00 0.40 H new ATOM 0 HB VAL A 64 -6.280 -9.271 2.571 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.976 -9.292 0.212 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -5.257 -8.869 0.396 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.720 -10.501 -0.141 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -8.074 -10.794 1.815 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.865 -12.069 1.537 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -7.165 -11.471 3.186 1.00 0.66 H new ATOM 958 N ALA A 65 -3.640 -8.734 3.446 1.00 0.33 N ATOM 959 CA ALA A 65 -2.698 -7.632 3.637 1.00 0.39 C ATOM 960 C ALA A 65 -1.244 -8.135 3.664 1.00 0.41 C ATOM 961 O ALA A 65 -0.331 -7.444 3.241 1.00 0.51 O ATOM 962 CB ALA A 65 -3.033 -6.874 4.911 1.00 0.46 C ATOM 0 H ALA A 65 -4.320 -8.827 4.201 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.792 -6.952 2.790 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.326 -6.055 5.044 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -4.044 -6.472 4.840 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.970 -7.550 5.764 1.00 0.46 H new ATOM 968 N GLY A 66 -1.050 -9.343 4.163 1.00 0.40 N ATOM 969 CA GLY A 66 0.275 -9.930 4.188 1.00 0.48 C ATOM 970 C GLY A 66 0.508 -10.879 3.020 1.00 0.48 C ATOM 971 O GLY A 66 1.499 -11.615 2.989 1.00 0.61 O ATOM 0 H GLY A 66 -1.787 -9.931 4.553 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.022 -9.137 4.163 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.414 -10.469 5.125 1.00 0.48 H new ATOM 975 N ARG A 67 -0.411 -10.878 2.078 1.00 0.43 N ATOM 976 CA ARG A 67 -0.326 -11.729 0.898 1.00 0.48 C ATOM 977 C ARG A 67 0.182 -10.924 -0.302 1.00 0.36 C ATOM 978 O ARG A 67 0.769 -11.479 -1.237 1.00 0.40 O ATOM 979 CB ARG A 67 -1.713 -12.362 0.590 1.00 0.64 C ATOM 980 CG ARG A 67 -1.775 -13.162 -0.703 1.00 1.16 C ATOM 981 CD ARG A 67 -0.811 -14.328 -0.686 1.00 1.45 C ATOM 982 NE ARG A 67 -0.564 -14.827 -2.035 1.00 2.16 N ATOM 983 CZ ARG A 67 0.605 -15.313 -2.450 1.00 3.05 C ATOM 984 NH1 ARG A 67 1.559 -15.600 -1.578 1.00 3.43 N ATOM 985 NH2 ARG A 67 0.790 -15.563 -3.731 1.00 3.98 N ATOM 0 H ARG A 67 -1.242 -10.288 2.104 1.00 0.43 H new ATOM 0 HA ARG A 67 0.382 -12.534 1.095 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.991 -13.014 1.418 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -2.458 -11.567 0.546 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -2.789 -13.531 -0.855 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -1.543 -12.510 -1.546 1.00 1.16 H new ATOM 0 HD2 ARG A 67 0.130 -14.019 -0.232 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -1.216 -15.129 -0.067 1.00 1.45 H new ATOM 0 HE ARG A 67 -1.335 -14.802 -2.702 1.00 2.16 H new ATOM 0 HH11 ARG A 67 1.401 -15.449 -0.582 1.00 3.43 H new ATOM 0 HH12 ARG A 67 2.452 -15.972 -1.903 1.00 3.43 H new ATOM 0 HH21 ARG A 67 0.040 -15.384 -4.399 1.00 3.98 H new ATOM 0 HH22 ARG A 67 1.683 -15.935 -4.054 1.00 3.98 H new ATOM 999 N VAL A 68 -0.015 -9.631 -0.252 1.00 0.33 N ATOM 1000 CA VAL A 68 0.364 -8.745 -1.343 1.00 0.34 C ATOM 1001 C VAL A 68 1.887 -8.518 -1.367 1.00 0.35 C ATOM 1002 O VAL A 68 2.451 -7.831 -0.534 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.424 -7.405 -1.274 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.897 -7.665 -1.552 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.275 -6.734 0.089 1.00 0.41 C ATOM 0 H VAL A 68 -0.442 -9.155 0.543 1.00 0.33 H new ATOM 0 HA VAL A 68 0.096 -9.228 -2.283 1.00 0.34 H new ATOM 0 HB VAL A 68 -0.012 -6.734 -2.028 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.448 -6.726 -1.503 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -2.009 -8.100 -2.545 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.291 -8.356 -0.807 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.839 -5.801 0.099 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.657 -7.397 0.865 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.778 -6.523 0.278 1.00 0.41 H new ATOM 1015 N ASP A 69 2.534 -9.177 -2.299 1.00 0.36 N ATOM 1016 CA ASP A 69 3.994 -9.147 -2.415 1.00 0.40 C ATOM 1017 C ASP A 69 4.457 -7.990 -3.264 1.00 0.32 C ATOM 1018 O ASP A 69 5.559 -7.437 -3.057 1.00 0.32 O ATOM 1019 CB ASP A 69 4.491 -10.455 -3.021 1.00 0.57 C ATOM 1020 CG ASP A 69 5.983 -10.540 -3.116 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.629 -10.988 -2.151 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.547 -10.195 -4.161 1.00 1.91 O ATOM 0 H ASP A 69 2.074 -9.753 -3.004 1.00 0.36 H new ATOM 0 HA ASP A 69 4.407 -9.021 -1.414 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.125 -11.287 -2.419 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.064 -10.570 -4.017 1.00 0.57 H new ATOM 1027 N THR A 70 3.645 -7.613 -4.199 1.00 0.32 N ATOM 1028 CA THR A 70 3.972 -6.537 -5.065 1.00 0.31 C ATOM 1029 C THR A 70 2.892 -5.455 -4.980 1.00 0.27 C ATOM 1030 O THR A 70 1.704 -5.765 -4.763 1.00 0.29 O ATOM 1031 CB THR A 70 4.197 -7.041 -6.514 1.00 0.41 C ATOM 1032 OG1 THR A 70 3.071 -7.808 -6.946 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.443 -7.911 -6.579 1.00 0.47 C ATOM 0 H THR A 70 2.739 -8.045 -4.380 1.00 0.32 H new ATOM 0 HA THR A 70 4.913 -6.089 -4.745 1.00 0.31 H new ATOM 0 HB THR A 70 4.323 -6.176 -7.165 1.00 0.41 H new ATOM 0 HG1 THR A 70 3.221 -8.121 -7.863 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.591 -8.259 -7.601 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.310 -7.329 -6.265 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.323 -8.769 -5.917 1.00 0.47 H new ATOM 1041 N PRO A 71 3.290 -4.177 -5.103 1.00 0.25 N ATOM 1042 CA PRO A 71 2.397 -3.022 -4.961 1.00 0.24 C ATOM 1043 C PRO A 71 1.169 -3.084 -5.835 1.00 0.21 C ATOM 1044 O PRO A 71 0.091 -2.735 -5.383 1.00 0.25 O ATOM 1045 CB PRO A 71 3.276 -1.838 -5.345 1.00 0.29 C ATOM 1046 CG PRO A 71 4.647 -2.295 -5.044 1.00 0.32 C ATOM 1047 CD PRO A 71 4.666 -3.751 -5.369 1.00 0.30 C ATOM 0 HA PRO A 71 1.992 -2.966 -3.950 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.163 -1.583 -6.399 1.00 0.29 H new ATOM 0 HB3 PRO A 71 3.018 -0.947 -4.772 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.381 -1.751 -5.639 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.896 -2.124 -3.997 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.947 -3.927 -6.407 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.381 -4.292 -4.749 1.00 0.30 H new ATOM 1055 N ARG A 72 1.334 -3.535 -7.078 1.00 0.22 N ATOM 1056 CA ARG A 72 0.214 -3.654 -8.025 1.00 0.26 C ATOM 1057 C ARG A 72 -0.963 -4.457 -7.420 1.00 0.25 C ATOM 1058 O ARG A 72 -2.121 -4.079 -7.568 1.00 0.29 O ATOM 1059 CB ARG A 72 0.674 -4.275 -9.353 1.00 0.40 C ATOM 1060 CG ARG A 72 1.153 -5.708 -9.239 1.00 0.92 C ATOM 1061 CD ARG A 72 1.603 -6.263 -10.564 1.00 0.95 C ATOM 1062 NE ARG A 72 2.809 -5.609 -11.056 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.989 -6.214 -11.219 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.157 -7.482 -10.826 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.997 -5.541 -11.754 1.00 1.29 N ATOM 0 H ARG A 72 2.234 -3.826 -7.459 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.146 -2.645 -8.229 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.151 -4.236 -10.064 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.479 -3.667 -9.765 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.977 -5.759 -8.527 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.349 -6.328 -8.841 1.00 0.92 H new ATOM 0 HD2 ARG A 72 1.787 -7.333 -10.464 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.804 -6.144 -11.296 1.00 0.95 H new ATOM 0 HE ARG A 72 2.748 -4.619 -11.293 1.00 0.67 H new ATOM 0 HH11 ARG A 72 3.382 -7.991 -10.400 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.060 -7.940 -10.952 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.868 -4.570 -12.037 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.902 -5.994 -11.882 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.626 -5.526 -6.681 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.612 -6.411 -6.062 1.00 0.28 C ATOM 1081 C GLU A 73 -2.415 -5.642 -5.020 1.00 0.26 C ATOM 1082 O GLU A 73 -3.652 -5.614 -5.055 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.899 -7.569 -5.364 1.00 0.34 C ATOM 1084 CG GLU A 73 0.004 -8.413 -6.249 1.00 0.44 C ATOM 1085 CD GLU A 73 -0.737 -9.174 -7.312 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.511 -10.092 -6.961 1.00 1.24 O ATOM 1087 OE2 GLU A 73 -0.532 -8.903 -8.515 1.00 2.13 O ATOM 0 H GLU A 73 0.340 -5.797 -6.499 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.276 -6.792 -6.838 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.302 -7.165 -4.547 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.651 -8.219 -4.918 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.741 -7.766 -6.724 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.554 -9.118 -5.626 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.679 -4.981 -4.130 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.244 -4.240 -3.014 1.00 0.28 C ATOM 1096 C LEU A 74 -3.019 -3.032 -3.523 1.00 0.26 C ATOM 1097 O LEU A 74 -4.094 -2.712 -3.000 1.00 0.29 O ATOM 1098 CB LEU A 74 -1.096 -3.855 -2.022 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.446 -3.128 -0.686 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.733 -1.657 -0.888 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.616 -3.809 0.017 1.00 0.90 C ATOM 0 H LEU A 74 -0.660 -4.947 -4.167 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.958 -4.857 -2.469 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.565 -4.772 -1.766 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.394 -3.221 -2.565 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.564 -3.201 -0.050 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.971 -1.198 0.071 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.856 -1.171 -1.316 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.579 -1.541 -1.565 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.839 -3.283 0.945 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.492 -3.789 -0.631 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -2.354 -4.843 0.241 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.474 -2.379 -4.539 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.115 -1.250 -5.167 1.00 0.23 C ATOM 1115 C LEU A 75 -4.485 -1.665 -5.659 1.00 0.24 C ATOM 1116 O LEU A 75 -5.491 -1.134 -5.206 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.269 -0.717 -6.333 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.788 0.551 -7.011 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.836 1.697 -6.023 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -1.922 0.914 -8.203 1.00 0.34 C ATOM 0 H LEU A 75 -1.572 -2.624 -4.947 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.217 -0.449 -4.435 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.261 -0.523 -5.966 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.188 -1.501 -7.086 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.800 0.359 -7.369 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.208 2.592 -6.522 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.500 1.439 -5.198 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.835 1.886 -5.637 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.309 1.819 -8.671 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -0.898 1.086 -7.870 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -1.936 0.098 -8.925 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.508 -2.688 -6.518 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.751 -3.213 -7.106 1.00 0.25 C ATOM 1134 C ASP A 76 -6.726 -3.664 -6.032 1.00 0.27 C ATOM 1135 O ASP A 76 -7.932 -3.448 -6.148 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.456 -4.379 -8.053 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.715 -4.987 -8.642 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.198 -4.493 -9.688 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.258 -5.965 -8.054 1.00 0.57 O ATOM 0 H ASP A 76 -3.668 -3.177 -6.827 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.209 -2.401 -7.671 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.813 -4.031 -8.861 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.903 -5.149 -7.514 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.186 -4.254 -4.979 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.969 -4.743 -3.858 1.00 0.36 C ATOM 1146 C LEU A 77 -7.745 -3.609 -3.220 1.00 0.34 C ATOM 1147 O LEU A 77 -8.970 -3.674 -3.088 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.042 -5.374 -2.810 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.700 -5.867 -1.522 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.641 -7.031 -1.795 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -5.645 -6.237 -0.496 1.00 1.96 C ATOM 0 H LEU A 77 -5.183 -4.408 -4.878 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.670 -5.492 -4.227 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.527 -6.216 -3.273 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.280 -4.641 -2.544 1.00 0.47 H new ATOM 0 HG LEU A 77 -7.301 -5.055 -1.112 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -8.094 -7.360 -0.860 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -8.423 -6.713 -2.485 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -7.081 -7.856 -2.237 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -6.130 -6.586 0.415 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -5.011 -7.028 -0.895 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -5.035 -5.363 -0.270 1.00 1.96 H new ATOM 1163 N ILE A 78 -7.048 -2.553 -2.868 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.690 -1.441 -2.221 1.00 0.34 C ATOM 1165 C ILE A 78 -8.484 -0.610 -3.240 1.00 0.31 C ATOM 1166 O ILE A 78 -9.426 0.073 -2.887 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.693 -0.574 -1.395 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.898 -1.486 -0.448 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.446 0.479 -0.573 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.863 -0.772 0.389 1.00 0.55 C ATOM 0 H ILE A 78 -6.045 -2.444 -3.019 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.398 -1.844 -1.496 1.00 0.34 H new ATOM 0 HB ILE A 78 -6.017 -0.063 -2.081 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.596 -1.995 0.217 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.401 -2.256 -1.038 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.733 1.074 -0.003 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -8.008 1.130 -1.243 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -8.133 -0.017 0.112 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.351 -1.492 1.027 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -4.138 -0.286 -0.265 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -5.352 -0.021 1.010 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.127 -0.720 -4.511 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.905 -0.078 -5.578 1.00 0.31 C ATOM 1184 C ASN A 79 -10.277 -0.710 -5.630 1.00 0.32 C ATOM 1185 O ASN A 79 -11.299 -0.018 -5.569 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.243 -0.199 -6.978 1.00 0.34 C ATOM 1187 CG ASN A 79 -6.950 0.592 -7.171 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.089 0.201 -7.952 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.802 1.692 -6.477 1.00 0.52 N ATOM 0 H ASN A 79 -7.312 -1.241 -4.834 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.960 0.984 -5.340 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -8.036 -1.251 -7.172 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.962 0.127 -7.729 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.953 2.249 -6.578 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -7.535 1.992 -5.835 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.288 -2.036 -5.673 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.517 -2.784 -5.707 1.00 0.42 C ATOM 1198 C GLY A 80 -12.316 -2.602 -4.438 1.00 0.45 C ATOM 1199 O GLY A 80 -13.544 -2.481 -4.482 1.00 0.53 O ATOM 0 H GLY A 80 -9.446 -2.611 -5.685 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.114 -2.465 -6.562 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.296 -3.842 -5.849 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.619 -2.543 -3.315 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.257 -2.358 -2.021 1.00 0.52 C ATOM 1205 C ALA A 81 -12.872 -0.966 -1.913 1.00 0.51 C ATOM 1206 O ALA A 81 -13.962 -0.811 -1.387 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.259 -2.591 -0.896 1.00 0.59 C ATOM 0 H ALA A 81 -10.603 -2.621 -3.274 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.059 -3.091 -1.929 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.754 -2.448 0.065 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -10.872 -3.608 -0.957 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.435 -1.884 -0.988 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.183 0.031 -2.440 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.675 1.409 -2.440 1.00 0.56 C ATOM 1215 C LEU A 82 -13.844 1.582 -3.402 1.00 0.59 C ATOM 1216 O LEU A 82 -14.810 2.271 -3.090 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.533 2.406 -2.724 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.863 3.056 -1.488 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -10.507 2.032 -0.426 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -9.624 3.830 -1.907 1.00 1.10 C ATOM 0 H LEU A 82 -11.270 -0.085 -2.880 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.054 1.631 -1.442 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.763 1.890 -3.298 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.924 3.201 -3.359 1.00 0.63 H new ATOM 0 HG LEU A 82 -11.587 3.742 -1.049 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -10.040 2.534 0.421 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -11.412 1.524 -0.093 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.813 1.302 -0.843 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.163 4.282 -1.029 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -8.914 3.152 -2.381 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -9.905 4.612 -2.612 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.772 0.931 -4.554 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.881 0.948 -5.513 1.00 0.67 C ATOM 1234 C ALA A 83 -16.119 0.275 -4.898 1.00 0.72 C ATOM 1235 O ALA A 83 -17.260 0.683 -5.133 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.482 0.251 -6.807 1.00 0.76 C ATOM 0 H ALA A 83 -12.964 0.385 -4.852 1.00 0.57 H new ATOM 0 HA ALA A 83 -15.125 1.984 -5.747 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.318 0.274 -7.506 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.627 0.764 -7.248 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.215 -0.784 -6.595 1.00 0.76 H new