USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 59:sc= 0.641 USER MOD Set 1.2: A 48 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 6 THR OG1 : rot -170:sc= 0.138 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 40 TYR OH : rot -162:sc= -1.08! USER MOD Single : A 42 SER OG : rot -91:sc= 0.153 USER MOD Single : A 46 MET CE :methyl 143:sc= -0.221 (180deg=-1.92) USER MOD Single : A 54 SER OG : rot 85:sc= 0.872 USER MOD Single : A 56 TYR OH : rot -169:sc= 1.19 USER MOD Single : A 59 SER OG : rot 20:sc= 0.519 USER MOD Single : A 70 THR OG1 : rot -70:sc= -0.106 USER MOD Single : A 79 ASN : amide:sc= 1.09 K(o=1.1,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 14.507 -4.007 2.671 1.00 0.80 N ATOM 45 CA LEU A 4 13.592 -3.765 1.585 1.00 0.65 C ATOM 46 C LEU A 4 12.295 -4.468 1.937 1.00 0.68 C ATOM 47 O LEU A 4 12.331 -5.597 2.458 1.00 0.86 O ATOM 48 CB LEU A 4 14.178 -4.364 0.295 1.00 0.70 C ATOM 49 CG LEU A 4 13.547 -3.936 -1.024 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.868 -2.474 -1.315 1.00 0.70 C ATOM 51 CD2 LEU A 4 14.028 -4.828 -2.155 1.00 1.01 C ATOM 0 HA LEU A 4 13.424 -2.699 1.431 1.00 0.65 H new ATOM 0 HB2 LEU A 4 15.238 -4.114 0.258 1.00 0.70 H new ATOM 0 HB3 LEU A 4 14.109 -5.450 0.365 1.00 0.70 H new ATOM 0 HG LEU A 4 12.465 -4.040 -0.944 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.411 -2.182 -2.260 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.475 -1.849 -0.513 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.948 -2.345 -1.379 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.568 -4.509 -3.090 1.00 1.01 H new ATOM 0 HD22 LEU A 4 15.112 -4.755 -2.240 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.749 -5.861 -1.947 1.00 1.01 H new ATOM 63 N LEU A 5 11.172 -3.834 1.671 1.00 0.60 N ATOM 64 CA LEU A 5 9.894 -4.389 2.066 1.00 0.64 C ATOM 65 C LEU A 5 9.543 -5.600 1.264 1.00 0.59 C ATOM 66 O LEU A 5 9.731 -5.634 0.033 1.00 0.61 O ATOM 67 CB LEU A 5 8.743 -3.384 2.001 1.00 0.69 C ATOM 68 CG LEU A 5 8.751 -2.239 3.008 1.00 0.90 C ATOM 69 CD1 LEU A 5 9.791 -1.178 2.675 1.00 1.61 C ATOM 70 CD2 LEU A 5 7.367 -1.654 3.107 1.00 1.54 C ATOM 0 H LEU A 5 11.118 -2.939 1.185 1.00 0.60 H new ATOM 0 HA LEU A 5 10.023 -4.671 3.111 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.730 -2.952 1.000 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.809 -3.933 2.123 1.00 0.69 H new ATOM 0 HG LEU A 5 9.039 -2.639 3.980 1.00 0.90 H new ATOM 0 HD11 LEU A 5 9.755 -0.386 3.423 1.00 1.61 H new ATOM 0 HD12 LEU A 5 10.783 -1.629 2.672 1.00 1.61 H new ATOM 0 HD13 LEU A 5 9.581 -0.758 1.691 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.369 -0.835 3.826 1.00 1.54 H new ATOM 0 HD22 LEU A 5 7.060 -1.279 2.131 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.669 -2.424 3.436 1.00 1.54 H new ATOM 82 N THR A 6 9.056 -6.583 1.953 1.00 0.61 N ATOM 83 CA THR A 6 8.660 -7.811 1.368 1.00 0.63 C ATOM 84 C THR A 6 7.158 -7.799 1.114 1.00 0.57 C ATOM 85 O THR A 6 6.482 -6.776 1.338 1.00 0.59 O ATOM 86 CB THR A 6 8.990 -8.975 2.318 1.00 0.79 C ATOM 87 OG1 THR A 6 8.324 -8.743 3.584 1.00 0.95 O ATOM 88 CG2 THR A 6 10.496 -9.091 2.539 1.00 0.97 C ATOM 0 H THR A 6 8.922 -6.546 2.963 1.00 0.61 H new ATOM 0 HA THR A 6 9.196 -7.939 0.427 1.00 0.63 H new ATOM 0 HB THR A 6 8.643 -9.908 1.873 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.648 -9.388 4.247 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.702 -9.922 3.214 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.991 -9.268 1.584 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.872 -8.166 2.976 1.00 0.97 H new ATOM 96 N THR A 7 6.631 -8.925 0.717 1.00 0.60 N ATOM 97 CA THR A 7 5.225 -9.082 0.509 1.00 0.59 C ATOM 98 C THR A 7 4.527 -9.269 1.877 1.00 0.53 C ATOM 99 O THR A 7 3.302 -9.112 2.020 1.00 0.56 O ATOM 100 CB THR A 7 4.977 -10.299 -0.399 1.00 0.69 C ATOM 101 OG1 THR A 7 5.930 -10.262 -1.483 1.00 0.90 O ATOM 102 CG2 THR A 7 3.570 -10.267 -0.964 1.00 0.81 C ATOM 0 H THR A 7 7.176 -9.766 0.528 1.00 0.60 H new ATOM 0 HA THR A 7 4.815 -8.196 0.024 1.00 0.59 H new ATOM 0 HB THR A 7 5.093 -11.213 0.183 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.787 -11.033 -2.071 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.415 -11.136 -1.603 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.849 -10.284 -0.147 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.433 -9.357 -1.549 1.00 0.81 H new ATOM 110 N ASP A 8 5.336 -9.556 2.891 1.00 0.54 N ATOM 111 CA ASP A 8 4.848 -9.747 4.242 1.00 0.54 C ATOM 112 C ASP A 8 4.669 -8.426 4.926 1.00 0.52 C ATOM 113 O ASP A 8 3.655 -8.200 5.604 1.00 0.54 O ATOM 114 CB ASP A 8 5.790 -10.633 5.081 1.00 0.63 C ATOM 115 CG ASP A 8 5.797 -12.075 4.652 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.798 -12.791 4.888 1.00 1.98 O ATOM 117 OD2 ASP A 8 6.824 -12.538 4.095 1.00 2.26 O ATOM 0 H ASP A 8 6.346 -9.662 2.795 1.00 0.54 H new ATOM 0 HA ASP A 8 3.887 -10.256 4.163 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.803 -10.237 5.014 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.494 -10.575 6.128 1.00 0.63 H new ATOM 122 N ASP A 9 5.636 -7.535 4.726 1.00 0.57 N ATOM 123 CA ASP A 9 5.619 -6.212 5.360 1.00 0.64 C ATOM 124 C ASP A 9 4.415 -5.429 4.901 1.00 0.59 C ATOM 125 O ASP A 9 3.629 -4.925 5.723 1.00 0.63 O ATOM 126 CB ASP A 9 6.873 -5.402 5.025 1.00 0.79 C ATOM 127 CG ASP A 9 6.989 -4.189 5.916 1.00 1.60 C ATOM 128 OD1 ASP A 9 6.362 -3.163 5.599 1.00 2.47 O ATOM 129 OD2 ASP A 9 7.705 -4.214 6.908 1.00 1.70 O ATOM 0 H ASP A 9 6.446 -7.702 4.128 1.00 0.57 H new ATOM 0 HA ASP A 9 5.582 -6.378 6.437 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.757 -6.029 5.142 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.840 -5.089 3.981 1.00 0.79 H new ATOM 134 N LEU A 10 4.247 -5.375 3.579 1.00 0.54 N ATOM 135 CA LEU A 10 3.143 -4.668 2.958 1.00 0.54 C ATOM 136 C LEU A 10 1.819 -5.168 3.485 1.00 0.53 C ATOM 137 O LEU A 10 0.927 -4.383 3.775 1.00 0.59 O ATOM 138 CB LEU A 10 3.160 -4.860 1.443 1.00 0.55 C ATOM 139 CG LEU A 10 2.028 -4.153 0.684 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.230 -2.645 0.675 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.873 -4.710 -0.717 1.00 0.65 C ATOM 0 H LEU A 10 4.877 -5.823 2.914 1.00 0.54 H new ATOM 0 HA LEU A 10 3.260 -3.611 3.199 1.00 0.54 H new ATOM 0 HB2 LEU A 10 4.114 -4.501 1.058 1.00 0.55 H new ATOM 0 HB3 LEU A 10 3.110 -5.927 1.227 1.00 0.55 H new ATOM 0 HG LEU A 10 1.096 -4.351 1.213 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.413 -2.172 0.130 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.246 -2.274 1.700 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.176 -2.408 0.188 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.064 -4.189 -1.228 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.802 -4.569 -1.270 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.642 -5.774 -0.662 1.00 0.65 H new ATOM 153 N ARG A 11 1.713 -6.478 3.636 1.00 0.49 N ATOM 154 CA ARG A 11 0.483 -7.085 4.067 1.00 0.50 C ATOM 155 C ARG A 11 0.117 -6.623 5.455 1.00 0.54 C ATOM 156 O ARG A 11 -1.017 -6.245 5.680 1.00 0.63 O ATOM 157 CB ARG A 11 0.548 -8.605 3.978 1.00 0.51 C ATOM 158 CG ARG A 11 -0.791 -9.284 4.214 1.00 0.61 C ATOM 159 CD ARG A 11 -0.735 -10.749 3.834 1.00 0.72 C ATOM 160 NE ARG A 11 0.132 -11.536 4.701 1.00 0.96 N ATOM 161 CZ ARG A 11 1.215 -12.212 4.293 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.822 -11.881 3.148 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.721 -13.172 5.058 1.00 1.80 N ATOM 0 H ARG A 11 2.473 -7.137 3.463 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.307 -6.761 3.389 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.921 -8.888 2.994 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.267 -8.973 4.710 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.071 -9.188 5.263 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.564 -8.783 3.631 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.742 -11.164 3.865 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.386 -10.837 2.805 1.00 0.72 H new ATOM 0 HE ARG A 11 -0.103 -11.575 5.693 1.00 0.96 H new ATOM 0 HH11 ARG A 11 1.461 -11.112 2.583 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.646 -12.397 2.840 1.00 1.65 H new ATOM 0 HH21 ARG A 11 1.286 -13.393 5.953 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.545 -13.688 4.750 1.00 1.80 H new ATOM 177 N ARG A 12 1.102 -6.589 6.369 1.00 0.54 N ATOM 178 CA ARG A 12 0.848 -6.124 7.735 1.00 0.60 C ATOM 179 C ARG A 12 0.290 -4.705 7.717 1.00 0.58 C ATOM 180 O ARG A 12 -0.734 -4.427 8.336 1.00 0.66 O ATOM 181 CB ARG A 12 2.104 -6.128 8.626 1.00 0.68 C ATOM 182 CG ARG A 12 2.716 -7.484 8.970 1.00 0.80 C ATOM 183 CD ARG A 12 3.775 -7.283 10.058 1.00 0.96 C ATOM 184 NE ARG A 12 4.455 -8.520 10.491 1.00 1.50 N ATOM 185 CZ ARG A 12 4.432 -9.009 11.756 1.00 2.02 C ATOM 186 NH1 ARG A 12 3.507 -8.605 12.628 1.00 2.23 N ATOM 187 NH2 ARG A 12 5.308 -9.941 12.134 1.00 2.93 N ATOM 0 H ARG A 12 2.064 -6.874 6.187 1.00 0.54 H new ATOM 0 HA ARG A 12 0.130 -6.828 8.156 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.869 -5.528 8.133 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.856 -5.623 9.560 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.943 -8.170 9.317 1.00 0.80 H new ATOM 0 HG3 ARG A 12 3.165 -7.932 8.084 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.524 -6.581 9.692 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.303 -6.821 10.925 1.00 0.96 H new ATOM 0 HE ARG A 12 4.979 -9.044 9.790 1.00 1.50 H new ATOM 0 HH11 ARG A 12 2.805 -7.920 12.347 1.00 2.23 H new ATOM 0 HH12 ARG A 12 3.501 -8.981 13.576 1.00 2.23 H new ATOM 0 HH21 ARG A 12 6.000 -10.290 11.471 1.00 2.93 H new ATOM 0 HH22 ARG A 12 5.286 -10.305 13.087 1.00 2.93 H new ATOM 201 N ALA A 13 0.946 -3.837 6.965 1.00 0.54 N ATOM 202 CA ALA A 13 0.577 -2.435 6.897 1.00 0.58 C ATOM 203 C ALA A 13 -0.778 -2.225 6.231 1.00 0.56 C ATOM 204 O ALA A 13 -1.590 -1.426 6.703 1.00 0.65 O ATOM 205 CB ALA A 13 1.644 -1.646 6.173 1.00 0.66 C ATOM 0 H ALA A 13 1.748 -4.085 6.386 1.00 0.54 H new ATOM 0 HA ALA A 13 0.493 -2.074 7.922 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.354 -0.596 6.130 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.590 -1.739 6.706 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.759 -2.033 5.160 1.00 0.66 H new ATOM 211 N LEU A 14 -1.024 -2.954 5.151 1.00 0.53 N ATOM 212 CA LEU A 14 -2.266 -2.848 4.406 1.00 0.59 C ATOM 213 C LEU A 14 -3.479 -3.221 5.318 1.00 0.75 C ATOM 214 O LEU A 14 -4.533 -2.557 5.280 1.00 1.02 O ATOM 215 CB LEU A 14 -2.173 -3.760 3.169 1.00 0.54 C ATOM 216 CG LEU A 14 -3.190 -3.535 2.052 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.044 -2.136 1.483 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.006 -4.563 0.949 1.00 1.06 C ATOM 0 H LEU A 14 -0.367 -3.634 4.769 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.424 -1.822 4.073 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.176 -3.650 2.744 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.264 -4.793 3.505 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.190 -3.646 2.471 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -3.775 -1.989 0.688 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.213 -1.403 2.272 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.039 -2.010 1.080 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -3.739 -4.387 0.162 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.001 -4.477 0.535 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.145 -5.564 1.358 1.00 1.06 H new ATOM 230 N VAL A 15 -3.286 -4.236 6.184 1.00 0.71 N ATOM 231 CA VAL A 15 -4.320 -4.680 7.158 1.00 0.83 C ATOM 232 C VAL A 15 -4.677 -3.544 8.117 1.00 0.85 C ATOM 233 O VAL A 15 -5.835 -3.373 8.500 1.00 0.98 O ATOM 234 CB VAL A 15 -3.839 -5.906 8.017 1.00 0.89 C ATOM 235 CG1 VAL A 15 -4.883 -6.322 9.046 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.492 -7.089 7.152 1.00 0.91 C ATOM 0 H VAL A 15 -2.419 -4.771 6.233 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.189 -4.976 6.570 1.00 0.83 H new ATOM 0 HB VAL A 15 -2.942 -5.577 8.542 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.511 -7.172 9.618 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.081 -5.489 9.721 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -5.805 -6.603 8.536 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.164 -7.916 7.781 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.370 -7.393 6.582 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -2.691 -6.815 6.466 1.00 0.91 H new ATOM 246 N GLU A 16 -3.689 -2.743 8.452 1.00 0.81 N ATOM 247 CA GLU A 16 -3.850 -1.673 9.419 1.00 0.87 C ATOM 248 C GLU A 16 -4.818 -0.596 8.950 1.00 0.89 C ATOM 249 O GLU A 16 -5.532 -0.004 9.762 1.00 1.05 O ATOM 250 CB GLU A 16 -2.496 -1.093 9.794 1.00 0.91 C ATOM 251 CG GLU A 16 -1.572 -2.130 10.408 1.00 1.00 C ATOM 252 CD GLU A 16 -2.116 -2.714 11.694 1.00 1.30 C ATOM 253 OE1 GLU A 16 -3.052 -3.543 11.642 1.00 1.91 O ATOM 254 OE2 GLU A 16 -1.613 -2.374 12.784 1.00 1.90 O ATOM 0 H GLU A 16 -2.749 -2.813 8.062 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.299 -2.105 10.313 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -2.026 -0.672 8.906 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.637 -0.274 10.499 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.408 -2.934 9.690 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -0.601 -1.674 10.604 1.00 1.00 H new ATOM 261 N SER A 17 -4.877 -0.371 7.665 1.00 0.82 N ATOM 262 CA SER A 17 -5.788 0.611 7.151 1.00 0.93 C ATOM 263 C SER A 17 -7.139 -0.072 6.844 1.00 1.03 C ATOM 264 O SER A 17 -8.207 0.553 6.884 1.00 1.22 O ATOM 265 CB SER A 17 -5.194 1.280 5.914 1.00 0.96 C ATOM 266 OG SER A 17 -5.847 2.496 5.637 1.00 1.58 O ATOM 0 H SER A 17 -4.312 -0.849 6.963 1.00 0.82 H new ATOM 0 HA SER A 17 -5.958 1.393 7.891 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.130 1.461 6.069 1.00 0.96 H new ATOM 0 HB3 SER A 17 -5.282 0.612 5.057 1.00 0.96 H new ATOM 0 HG SER A 17 -5.762 3.096 6.407 1.00 1.58 H new ATOM 351 N ASP A 25 -9.924 -10.561 3.151 1.00 1.06 N ATOM 352 CA ASP A 25 -9.041 -11.671 3.442 1.00 1.14 C ATOM 353 C ASP A 25 -7.716 -11.357 2.849 1.00 0.91 C ATOM 354 O ASP A 25 -7.471 -11.601 1.659 1.00 1.11 O ATOM 355 CB ASP A 25 -9.548 -13.001 2.866 1.00 1.52 C ATOM 356 CG ASP A 25 -10.733 -13.545 3.586 1.00 1.99 C ATOM 357 OD1 ASP A 25 -10.546 -14.225 4.621 1.00 2.49 O ATOM 358 OD2 ASP A 25 -11.873 -13.326 3.129 1.00 2.41 O ATOM 0 HA ASP A 25 -8.988 -11.795 4.524 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.804 -12.859 1.816 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -8.742 -13.734 2.902 1.00 1.52 H new ATOM 363 N LEU A 26 -6.870 -10.786 3.633 1.00 0.84 N ATOM 364 CA LEU A 26 -5.629 -10.344 3.131 1.00 0.77 C ATOM 365 C LEU A 26 -4.568 -11.384 3.427 1.00 0.86 C ATOM 366 O LEU A 26 -3.833 -11.296 4.408 1.00 1.05 O ATOM 367 CB LEU A 26 -5.267 -8.972 3.697 1.00 0.94 C ATOM 368 CG LEU A 26 -4.325 -8.141 2.843 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.001 -7.783 1.522 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.921 -6.893 3.582 1.00 1.11 C ATOM 0 H LEU A 26 -7.021 -10.616 4.627 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.696 -10.224 2.050 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -6.186 -8.407 3.849 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.813 -9.111 4.678 1.00 0.94 H new ATOM 0 HG LEU A 26 -3.428 -8.724 2.631 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -4.320 -7.187 0.915 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.260 -8.696 0.987 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -5.906 -7.210 1.720 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.246 -6.305 2.961 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -4.808 -6.303 3.813 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.416 -7.166 4.509 1.00 1.11 H new ATOM 382 N SER A 27 -4.578 -12.405 2.619 1.00 0.96 N ATOM 383 CA SER A 27 -3.670 -13.503 2.703 1.00 1.13 C ATOM 384 C SER A 27 -3.706 -14.189 1.343 1.00 1.20 C ATOM 385 O SER A 27 -4.464 -13.743 0.450 1.00 1.66 O ATOM 386 CB SER A 27 -4.089 -14.475 3.833 1.00 1.36 C ATOM 387 OG SER A 27 -3.114 -15.493 4.034 1.00 1.89 O ATOM 0 H SER A 27 -5.247 -12.495 1.855 1.00 0.96 H new ATOM 0 HA SER A 27 -2.661 -13.168 2.943 1.00 1.13 H new ATOM 0 HB2 SER A 27 -4.231 -13.918 4.759 1.00 1.36 H new ATOM 0 HB3 SER A 27 -5.047 -14.931 3.585 1.00 1.36 H new ATOM 0 HG SER A 27 -3.407 -16.089 4.755 1.00 1.89 H new ATOM 393 N GLY A 28 -2.940 -15.251 1.177 1.00 1.48 N ATOM 394 CA GLY A 28 -2.839 -15.904 -0.111 1.00 1.67 C ATOM 395 C GLY A 28 -2.149 -14.995 -1.099 1.00 1.54 C ATOM 396 O GLY A 28 -1.301 -14.170 -0.709 1.00 2.30 O ATOM 0 H GLY A 28 -2.381 -15.677 1.916 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -2.283 -16.836 -0.012 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -3.833 -16.163 -0.475 1.00 1.67 H new ATOM 400 N ASP A 29 -2.484 -15.092 -2.352 1.00 1.09 N ATOM 401 CA ASP A 29 -1.892 -14.184 -3.302 1.00 1.07 C ATOM 402 C ASP A 29 -2.822 -13.016 -3.470 1.00 0.87 C ATOM 403 O ASP A 29 -3.835 -13.093 -4.179 1.00 1.13 O ATOM 404 CB ASP A 29 -1.588 -14.824 -4.650 1.00 1.48 C ATOM 405 CG ASP A 29 -0.765 -13.894 -5.534 1.00 2.24 C ATOM 406 OD1 ASP A 29 -1.294 -12.869 -6.020 1.00 2.97 O ATOM 407 OD2 ASP A 29 0.445 -14.170 -5.729 1.00 2.56 O ATOM 0 H ASP A 29 -3.144 -15.768 -2.737 1.00 1.09 H new ATOM 0 HA ASP A 29 -0.926 -13.867 -2.909 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -1.046 -15.757 -4.497 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -2.521 -15.076 -5.154 1.00 1.48 H new ATOM 412 N PHE A 30 -2.525 -11.973 -2.764 1.00 0.67 N ATOM 413 CA PHE A 30 -3.330 -10.774 -2.771 1.00 0.57 C ATOM 414 C PHE A 30 -2.669 -9.722 -3.647 1.00 0.49 C ATOM 415 O PHE A 30 -3.053 -8.569 -3.634 1.00 0.48 O ATOM 416 CB PHE A 30 -3.493 -10.240 -1.324 1.00 0.59 C ATOM 417 CG PHE A 30 -2.210 -9.728 -0.690 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.243 -10.605 -0.226 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.976 -8.362 -0.579 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.073 -10.136 0.333 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.805 -7.889 -0.022 1.00 0.65 C ATOM 422 CZ PHE A 30 0.146 -8.778 0.434 1.00 0.73 C ATOM 0 H PHE A 30 -1.708 -11.920 -2.156 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.317 -11.003 -3.173 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.227 -9.434 -1.329 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -3.898 -11.037 -0.700 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.408 -11.670 -0.303 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.719 -7.663 -0.933 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.671 -10.832 0.691 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.634 -6.826 0.057 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.063 -8.410 0.871 1.00 0.73 H new ATOM 432 N LEU A 31 -1.720 -10.141 -4.453 1.00 0.54 N ATOM 433 CA LEU A 31 -0.925 -9.215 -5.222 1.00 0.60 C ATOM 434 C LEU A 31 -1.689 -8.602 -6.377 1.00 0.63 C ATOM 435 O LEU A 31 -1.300 -7.562 -6.881 1.00 0.72 O ATOM 436 CB LEU A 31 0.393 -9.837 -5.683 1.00 0.75 C ATOM 437 CG LEU A 31 1.489 -10.050 -4.616 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.824 -8.740 -3.911 1.00 0.75 C ATOM 439 CD2 LEU A 31 1.113 -11.135 -3.608 1.00 1.43 C ATOM 0 H LEU A 31 -1.480 -11.123 -4.592 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.679 -8.396 -4.546 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.170 -10.804 -6.134 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.807 -9.206 -6.470 1.00 0.75 H new ATOM 0 HG LEU A 31 2.380 -10.397 -5.138 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.598 -8.916 -3.164 1.00 0.75 H new ATOM 0 HD12 LEU A 31 2.183 -8.015 -4.642 1.00 0.75 H new ATOM 0 HD13 LEU A 31 0.931 -8.351 -3.422 1.00 0.75 H new ATOM 0 HD21 LEU A 31 1.915 -11.248 -2.879 1.00 1.43 H new ATOM 0 HD22 LEU A 31 0.193 -10.853 -3.096 1.00 1.43 H new ATOM 0 HD23 LEU A 31 0.962 -12.080 -4.130 1.00 1.43 H new ATOM 451 N ASP A 32 -2.763 -9.238 -6.788 1.00 0.66 N ATOM 452 CA ASP A 32 -3.624 -8.675 -7.843 1.00 0.83 C ATOM 453 C ASP A 32 -4.975 -8.329 -7.286 1.00 0.73 C ATOM 454 O ASP A 32 -5.896 -7.999 -8.030 1.00 0.96 O ATOM 455 CB ASP A 32 -3.808 -9.630 -9.031 1.00 1.10 C ATOM 456 CG ASP A 32 -2.554 -9.884 -9.803 1.00 1.70 C ATOM 457 OD1 ASP A 32 -2.242 -9.083 -10.697 1.00 2.33 O ATOM 458 OD2 ASP A 32 -1.848 -10.880 -9.532 1.00 2.26 O ATOM 0 H ASP A 32 -3.072 -10.138 -6.421 1.00 0.66 H new ATOM 0 HA ASP A 32 -3.120 -7.779 -8.206 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -4.196 -10.580 -8.664 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -4.560 -9.217 -9.704 1.00 1.10 H new ATOM 463 N LEU A 33 -5.091 -8.368 -5.979 1.00 0.50 N ATOM 464 CA LEU A 33 -6.355 -8.124 -5.323 1.00 0.50 C ATOM 465 C LEU A 33 -6.609 -6.618 -5.301 1.00 0.50 C ATOM 466 O LEU A 33 -5.950 -5.875 -4.573 1.00 0.78 O ATOM 467 CB LEU A 33 -6.326 -8.723 -3.910 1.00 0.49 C ATOM 468 CG LEU A 33 -7.648 -8.783 -3.151 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.663 -9.636 -3.904 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.424 -9.341 -1.751 1.00 0.70 C ATOM 0 H LEU A 33 -4.318 -8.568 -5.344 1.00 0.50 H new ATOM 0 HA LEU A 33 -7.172 -8.603 -5.863 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.931 -9.736 -3.981 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.620 -8.146 -3.313 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.045 -7.771 -3.068 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.599 -9.666 -3.346 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.842 -9.204 -4.889 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.275 -10.648 -4.016 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.374 -9.379 -1.218 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.007 -10.346 -1.822 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -6.730 -8.698 -1.210 1.00 0.70 H new ATOM 482 N ARG A 34 -7.528 -6.180 -6.135 1.00 0.34 N ATOM 483 CA ARG A 34 -7.804 -4.769 -6.325 1.00 0.37 C ATOM 484 C ARG A 34 -8.310 -4.064 -5.104 1.00 0.35 C ATOM 485 O ARG A 34 -9.271 -4.497 -4.469 1.00 0.40 O ATOM 486 CB ARG A 34 -8.765 -4.527 -7.463 1.00 0.45 C ATOM 487 CG ARG A 34 -8.114 -4.522 -8.808 1.00 0.60 C ATOM 488 CD ARG A 34 -9.107 -4.154 -9.872 1.00 1.01 C ATOM 489 NE ARG A 34 -8.438 -3.806 -11.110 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.034 -3.637 -12.282 1.00 2.51 C ATOM 491 NH1 ARG A 34 -10.335 -3.913 -12.417 1.00 2.74 N ATOM 492 NH2 ARG A 34 -8.332 -3.185 -13.311 1.00 3.50 N ATOM 0 H ARG A 34 -8.109 -6.795 -6.704 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.829 -4.344 -6.564 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.536 -5.297 -7.445 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -9.265 -3.571 -7.308 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.286 -3.814 -8.815 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.694 -5.506 -9.019 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.787 -4.989 -10.044 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.713 -3.314 -9.534 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.426 -3.681 -11.077 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -10.870 -4.254 -11.618 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -10.793 -3.783 -13.319 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -7.341 -2.970 -13.198 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -8.782 -3.052 -14.216 1.00 3.50 H new ATOM 506 N PHE A 35 -7.703 -2.919 -4.833 1.00 0.36 N ATOM 507 CA PHE A 35 -8.074 -2.064 -3.707 1.00 0.39 C ATOM 508 C PHE A 35 -9.508 -1.614 -3.841 1.00 0.47 C ATOM 509 O PHE A 35 -10.263 -1.627 -2.875 1.00 0.54 O ATOM 510 CB PHE A 35 -7.180 -0.833 -3.643 1.00 0.41 C ATOM 511 CG PHE A 35 -5.732 -1.142 -3.498 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.224 -1.559 -2.281 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.873 -1.036 -4.581 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.894 -1.858 -2.144 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.537 -1.338 -4.445 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.038 -1.684 -3.236 1.00 0.47 C ATOM 0 H PHE A 35 -6.932 -2.551 -5.391 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.952 -2.647 -2.794 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.326 -0.243 -4.548 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.494 -0.212 -2.804 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.883 -1.650 -1.430 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.255 -0.714 -5.539 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.511 -2.224 -1.203 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.886 -1.299 -5.305 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.974 -1.826 -3.114 1.00 0.47 H new ATOM 526 N GLU A 36 -9.890 -1.259 -5.062 1.00 0.57 N ATOM 527 CA GLU A 36 -11.240 -0.793 -5.357 1.00 0.76 C ATOM 528 C GLU A 36 -12.281 -1.879 -5.074 1.00 0.74 C ATOM 529 O GLU A 36 -13.426 -1.584 -4.748 1.00 0.87 O ATOM 530 CB GLU A 36 -11.354 -0.340 -6.819 1.00 0.97 C ATOM 531 CG GLU A 36 -10.998 -1.409 -7.848 1.00 1.31 C ATOM 532 CD GLU A 36 -11.414 -1.023 -9.250 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.671 -0.257 -9.909 1.00 1.81 O ATOM 534 OE2 GLU A 36 -12.465 -1.456 -9.707 1.00 2.06 O ATOM 0 H GLU A 36 -9.274 -1.286 -5.874 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.438 0.056 -4.703 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -12.375 -0.004 -7.002 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -10.703 0.521 -6.970 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -9.923 -1.585 -7.827 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -11.480 -2.347 -7.574 1.00 1.31 H new ATOM 541 N ASP A 37 -11.854 -3.117 -5.161 1.00 0.66 N ATOM 542 CA ASP A 37 -12.728 -4.252 -4.992 1.00 0.73 C ATOM 543 C ASP A 37 -12.877 -4.564 -3.519 1.00 0.73 C ATOM 544 O ASP A 37 -13.992 -4.694 -3.006 1.00 0.89 O ATOM 545 CB ASP A 37 -12.147 -5.468 -5.732 1.00 0.75 C ATOM 546 CG ASP A 37 -13.065 -6.669 -5.729 1.00 1.29 C ATOM 547 OD1 ASP A 37 -13.061 -7.442 -4.763 1.00 2.20 O ATOM 548 OD2 ASP A 37 -13.793 -6.865 -6.726 1.00 1.28 O ATOM 0 H ASP A 37 -10.883 -3.366 -5.352 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.708 -4.019 -5.407 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.932 -5.187 -6.763 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.198 -5.744 -5.272 1.00 0.75 H new ATOM 553 N ILE A 38 -11.746 -4.595 -2.827 1.00 0.63 N ATOM 554 CA ILE A 38 -11.694 -4.992 -1.420 1.00 0.68 C ATOM 555 C ILE A 38 -11.974 -3.859 -0.417 1.00 0.68 C ATOM 556 O ILE A 38 -11.593 -3.947 0.742 1.00 0.73 O ATOM 557 CB ILE A 38 -10.390 -5.744 -1.063 1.00 0.68 C ATOM 558 CG1 ILE A 38 -9.150 -4.877 -1.366 1.00 0.55 C ATOM 559 CG2 ILE A 38 -10.338 -7.053 -1.828 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.814 -5.534 -1.039 1.00 0.64 C ATOM 0 H ILE A 38 -10.839 -4.347 -3.221 1.00 0.63 H new ATOM 0 HA ILE A 38 -12.527 -5.687 -1.314 1.00 0.68 H new ATOM 0 HB ILE A 38 -10.384 -5.956 0.006 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -9.159 -4.612 -2.423 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -9.229 -3.947 -0.803 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -9.420 -7.584 -1.578 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -11.197 -7.667 -1.558 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -10.359 -6.850 -2.899 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -7.002 -4.850 -1.285 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -7.777 -5.774 0.024 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -7.706 -6.449 -1.621 1.00 0.64 H new ATOM 572 N GLY A 39 -12.659 -2.828 -0.857 1.00 0.69 N ATOM 573 CA GLY A 39 -13.106 -1.795 0.059 1.00 0.77 C ATOM 574 C GLY A 39 -12.071 -0.737 0.418 1.00 0.65 C ATOM 575 O GLY A 39 -12.193 -0.086 1.463 1.00 0.74 O ATOM 0 H GLY A 39 -12.918 -2.680 -1.832 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.971 -1.297 -0.379 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.445 -2.272 0.979 1.00 0.77 H new ATOM 579 N TYR A 40 -11.055 -0.551 -0.403 1.00 0.52 N ATOM 580 CA TYR A 40 -10.127 0.534 -0.155 1.00 0.47 C ATOM 581 C TYR A 40 -10.552 1.752 -0.910 1.00 0.49 C ATOM 582 O TYR A 40 -10.794 1.698 -2.122 1.00 0.61 O ATOM 583 CB TYR A 40 -8.662 0.206 -0.488 1.00 0.46 C ATOM 584 CG TYR A 40 -7.991 -0.724 0.478 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.394 -2.039 0.609 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.946 -0.275 1.265 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.774 -2.886 1.495 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.317 -1.107 2.150 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.735 -2.420 2.261 1.00 0.81 C ATOM 590 OH TYR A 40 -6.110 -3.266 3.138 1.00 1.02 O ATOM 0 H TYR A 40 -10.854 -1.120 -1.226 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.161 0.711 0.920 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.620 -0.235 -1.484 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.096 1.137 -0.528 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.210 -2.407 0.005 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.621 0.751 1.179 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.102 -3.911 1.588 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.501 -0.742 2.756 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.602 -2.742 3.792 1.00 1.02 H new ATOM 600 N ASP A 41 -10.711 2.821 -0.194 1.00 0.48 N ATOM 601 CA ASP A 41 -11.021 4.104 -0.786 1.00 0.56 C ATOM 602 C ASP A 41 -9.713 4.756 -1.131 1.00 0.45 C ATOM 603 O ASP A 41 -8.644 4.245 -0.750 1.00 0.39 O ATOM 604 CB ASP A 41 -11.738 5.025 0.214 1.00 0.75 C ATOM 605 CG ASP A 41 -12.978 4.442 0.832 1.00 1.11 C ATOM 606 OD1 ASP A 41 -14.059 4.581 0.233 1.00 1.20 O ATOM 607 OD2 ASP A 41 -12.896 3.804 1.897 1.00 2.01 O ATOM 0 H ASP A 41 -10.631 2.838 0.823 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.666 3.951 -1.651 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.041 5.286 1.010 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -12.004 5.952 -0.294 1.00 0.75 H new ATOM 612 N SER A 42 -9.764 5.867 -1.799 1.00 0.57 N ATOM 613 CA SER A 42 -8.577 6.612 -2.099 1.00 0.62 C ATOM 614 C SER A 42 -7.881 7.101 -0.802 1.00 0.53 C ATOM 615 O SER A 42 -6.658 7.000 -0.670 1.00 0.54 O ATOM 616 CB SER A 42 -8.907 7.721 -3.096 1.00 0.83 C ATOM 617 OG SER A 42 -10.345 8.063 -3.009 1.00 1.24 O ATOM 0 H SER A 42 -10.626 6.283 -2.151 1.00 0.57 H new ATOM 0 HA SER A 42 -7.842 5.969 -2.583 1.00 0.62 H new ATOM 0 HB2 SER A 42 -8.301 8.603 -2.887 1.00 0.83 H new ATOM 0 HB3 SER A 42 -8.661 7.398 -4.108 1.00 0.83 H new ATOM 0 HG SER A 42 -10.850 7.516 -3.646 1.00 1.24 H new ATOM 622 N LEU A 43 -8.681 7.555 0.172 1.00 0.53 N ATOM 623 CA LEU A 43 -8.182 7.937 1.503 1.00 0.54 C ATOM 624 C LEU A 43 -7.488 6.763 2.185 1.00 0.45 C ATOM 625 O LEU A 43 -6.432 6.924 2.796 1.00 0.47 O ATOM 626 CB LEU A 43 -9.320 8.428 2.415 1.00 0.68 C ATOM 627 CG LEU A 43 -9.956 9.774 2.085 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.142 10.016 2.994 1.00 1.00 C ATOM 629 CD2 LEU A 43 -8.944 10.892 2.256 1.00 0.90 C ATOM 0 H LEU A 43 -9.689 7.668 0.062 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.470 8.748 1.348 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.107 7.673 2.407 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -8.936 8.478 3.434 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.291 9.759 1.048 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.593 10.979 2.755 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -11.878 9.225 2.851 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -10.810 10.019 4.032 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.413 11.847 2.017 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.591 10.909 3.287 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.100 10.724 1.587 1.00 0.90 H new ATOM 641 N ALA A 44 -8.071 5.578 2.049 1.00 0.44 N ATOM 642 CA ALA A 44 -7.530 4.373 2.664 1.00 0.41 C ATOM 643 C ALA A 44 -6.157 4.028 2.092 1.00 0.35 C ATOM 644 O ALA A 44 -5.286 3.533 2.804 1.00 0.38 O ATOM 645 CB ALA A 44 -8.493 3.208 2.507 1.00 0.43 C ATOM 0 H ALA A 44 -8.926 5.426 1.513 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.405 4.569 3.729 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.068 2.319 2.974 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.441 3.452 2.987 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.662 3.016 1.447 1.00 0.43 H new ATOM 651 N LEU A 45 -5.949 4.327 0.817 1.00 0.34 N ATOM 652 CA LEU A 45 -4.669 4.059 0.186 1.00 0.33 C ATOM 653 C LEU A 45 -3.617 4.999 0.814 1.00 0.32 C ATOM 654 O LEU A 45 -2.522 4.567 1.170 1.00 0.36 O ATOM 655 CB LEU A 45 -4.744 4.331 -1.329 1.00 0.48 C ATOM 656 CG LEU A 45 -3.805 3.515 -2.261 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.395 3.365 -1.735 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.378 2.181 -2.584 1.00 0.37 C ATOM 0 H LEU A 45 -6.646 4.752 0.205 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.401 3.014 0.339 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.770 4.154 -1.650 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -4.538 5.389 -1.490 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.734 4.105 -3.175 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.803 2.784 -2.442 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -1.947 4.351 -1.610 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.418 2.852 -0.773 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.694 1.640 -3.237 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.525 1.616 -1.664 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.336 2.309 -3.088 1.00 0.37 H new ATOM 670 N MET A 46 -3.996 6.275 0.976 1.00 0.37 N ATOM 671 CA MET A 46 -3.115 7.316 1.567 1.00 0.46 C ATOM 672 C MET A 46 -2.702 6.870 2.930 1.00 0.48 C ATOM 673 O MET A 46 -1.545 6.870 3.280 1.00 0.54 O ATOM 674 CB MET A 46 -3.874 8.627 1.782 1.00 0.59 C ATOM 675 CG MET A 46 -4.661 9.106 0.613 1.00 0.54 C ATOM 676 SD MET A 46 -5.571 10.620 0.978 1.00 0.89 S ATOM 677 CE MET A 46 -4.242 11.726 1.449 1.00 1.84 C ATOM 0 H MET A 46 -4.916 6.622 0.705 1.00 0.37 H new ATOM 0 HA MET A 46 -2.275 7.463 0.888 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.550 8.501 2.627 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.158 9.401 2.059 1.00 0.59 H new ATOM 0 HG2 MET A 46 -3.990 9.281 -0.227 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.361 8.329 0.305 1.00 0.54 H new ATOM 0 HE1 MET A 46 -4.456 12.730 1.082 1.00 1.84 H new ATOM 0 HE2 MET A 46 -4.155 11.748 2.535 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.305 11.374 1.017 1.00 1.84 H new ATOM 687 N GLU A 47 -3.701 6.471 3.664 1.00 0.49 N ATOM 688 CA GLU A 47 -3.615 6.049 5.028 1.00 0.55 C ATOM 689 C GLU A 47 -2.639 4.838 5.146 1.00 0.54 C ATOM 690 O GLU A 47 -1.796 4.788 6.050 1.00 0.71 O ATOM 691 CB GLU A 47 -5.048 5.716 5.424 1.00 0.58 C ATOM 692 CG GLU A 47 -5.403 5.902 6.893 1.00 0.82 C ATOM 693 CD GLU A 47 -4.698 4.943 7.813 1.00 1.48 C ATOM 694 OE1 GLU A 47 -5.150 3.790 7.939 1.00 1.84 O ATOM 695 OE2 GLU A 47 -3.678 5.328 8.418 1.00 2.31 O ATOM 0 H GLU A 47 -4.654 6.430 3.302 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.209 6.807 5.697 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.720 6.334 4.829 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -5.246 4.679 5.153 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.159 6.922 7.190 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.480 5.783 7.015 1.00 0.82 H new ATOM 702 N THR A 48 -2.739 3.916 4.198 1.00 0.42 N ATOM 703 CA THR A 48 -1.832 2.779 4.104 1.00 0.42 C ATOM 704 C THR A 48 -0.394 3.279 3.806 1.00 0.39 C ATOM 705 O THR A 48 0.559 2.983 4.549 1.00 0.41 O ATOM 706 CB THR A 48 -2.280 1.857 2.943 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.622 1.385 3.165 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.337 0.667 2.796 1.00 0.45 C ATOM 0 H THR A 48 -3.453 3.935 3.470 1.00 0.42 H new ATOM 0 HA THR A 48 -1.849 2.234 5.048 1.00 0.42 H new ATOM 0 HB THR A 48 -2.252 2.441 2.023 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.259 2.099 2.954 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.674 0.035 1.974 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.329 1.025 2.589 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.334 0.089 3.720 1.00 0.45 H new ATOM 716 N ALA A 49 -0.263 4.032 2.708 1.00 0.39 N ATOM 717 CA ALA A 49 1.013 4.543 2.233 1.00 0.40 C ATOM 718 C ALA A 49 1.722 5.365 3.299 1.00 0.42 C ATOM 719 O ALA A 49 2.889 5.144 3.560 1.00 0.41 O ATOM 720 CB ALA A 49 0.814 5.371 0.971 1.00 0.43 C ATOM 0 H ALA A 49 -1.053 4.303 2.123 1.00 0.39 H new ATOM 0 HA ALA A 49 1.646 3.687 2.001 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.777 5.747 0.627 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.369 4.749 0.194 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.153 6.210 1.187 1.00 0.43 H new ATOM 726 N ALA A 50 0.987 6.268 3.943 1.00 0.46 N ATOM 727 CA ALA A 50 1.520 7.163 4.990 1.00 0.51 C ATOM 728 C ALA A 50 2.157 6.382 6.127 1.00 0.49 C ATOM 729 O ALA A 50 3.218 6.779 6.670 1.00 0.49 O ATOM 730 CB ALA A 50 0.420 8.069 5.531 1.00 0.62 C ATOM 0 H ALA A 50 -0.006 6.408 3.758 1.00 0.46 H new ATOM 0 HA ALA A 50 2.294 7.777 4.530 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.832 8.721 6.301 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.016 8.675 4.720 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.376 7.459 5.959 1.00 0.62 H new ATOM 736 N ARG A 51 1.546 5.252 6.455 1.00 0.51 N ATOM 737 CA ARG A 51 2.023 4.379 7.510 1.00 0.54 C ATOM 738 C ARG A 51 3.394 3.829 7.133 1.00 0.50 C ATOM 739 O ARG A 51 4.266 3.676 7.965 1.00 0.61 O ATOM 740 CB ARG A 51 1.010 3.234 7.758 1.00 0.62 C ATOM 741 CG ARG A 51 1.408 2.145 8.780 1.00 0.87 C ATOM 742 CD ARG A 51 1.382 2.617 10.233 1.00 1.36 C ATOM 743 NE ARG A 51 0.108 3.262 10.585 1.00 2.18 N ATOM 744 CZ ARG A 51 -0.093 4.092 11.615 1.00 3.05 C ATOM 745 NH1 ARG A 51 0.913 4.484 12.389 1.00 3.48 N ATOM 746 NH2 ARG A 51 -1.310 4.551 11.845 1.00 3.91 N ATOM 0 H ARG A 51 0.701 4.916 5.992 1.00 0.51 H new ATOM 0 HA ARG A 51 2.118 4.945 8.436 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.071 3.679 8.088 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.813 2.745 6.804 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.733 1.296 8.672 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.410 1.787 8.543 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.551 1.766 10.893 1.00 1.36 H new ATOM 0 HD3 ARG A 51 2.200 3.317 10.400 1.00 1.36 H new ATOM 0 HE ARG A 51 -0.695 3.058 9.990 1.00 2.18 H new ATOM 0 HH11 ARG A 51 1.859 4.152 12.203 1.00 3.48 H new ATOM 0 HH12 ARG A 51 0.739 5.117 13.169 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -2.083 4.272 11.241 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -1.477 5.184 12.627 1.00 3.91 H new ATOM 760 N LEU A 52 3.569 3.570 5.863 1.00 0.41 N ATOM 761 CA LEU A 52 4.817 3.059 5.342 1.00 0.39 C ATOM 762 C LEU A 52 5.829 4.184 5.154 1.00 0.36 C ATOM 763 O LEU A 52 7.010 4.035 5.505 1.00 0.38 O ATOM 764 CB LEU A 52 4.587 2.315 4.025 1.00 0.36 C ATOM 765 CG LEU A 52 3.760 1.033 4.130 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.519 0.436 2.755 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.479 0.037 5.026 1.00 0.48 C ATOM 0 H LEU A 52 2.848 3.707 5.155 1.00 0.41 H new ATOM 0 HA LEU A 52 5.224 2.355 6.068 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.091 2.991 3.328 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.557 2.067 3.594 1.00 0.36 H new ATOM 0 HG LEU A 52 2.790 1.271 4.567 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.929 -0.475 2.852 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.980 1.153 2.136 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.475 0.201 2.288 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.889 -0.877 5.101 1.00 0.48 H new ATOM 0 HD22 LEU A 52 5.456 -0.195 4.602 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.608 0.468 6.019 1.00 0.48 H new ATOM 779 N GLU A 53 5.355 5.315 4.630 1.00 0.35 N ATOM 780 CA GLU A 53 6.174 6.502 4.383 1.00 0.37 C ATOM 781 C GLU A 53 6.923 6.920 5.636 1.00 0.41 C ATOM 782 O GLU A 53 8.148 7.003 5.636 1.00 0.45 O ATOM 783 CB GLU A 53 5.314 7.693 3.920 1.00 0.40 C ATOM 784 CG GLU A 53 4.635 7.551 2.570 1.00 0.44 C ATOM 785 CD GLU A 53 3.840 8.789 2.209 1.00 0.56 C ATOM 786 OE1 GLU A 53 2.709 8.949 2.695 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.346 9.633 1.445 1.00 0.65 O ATOM 0 H GLU A 53 4.378 5.434 4.362 1.00 0.35 H new ATOM 0 HA GLU A 53 6.881 6.233 3.598 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.545 7.872 4.672 1.00 0.40 H new ATOM 0 HB3 GLU A 53 5.946 8.581 3.893 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.386 7.365 1.803 1.00 0.44 H new ATOM 0 HG3 GLU A 53 3.973 6.685 2.585 1.00 0.44 H new ATOM 794 N SER A 54 6.192 7.084 6.709 1.00 0.45 N ATOM 795 CA SER A 54 6.734 7.604 7.952 1.00 0.54 C ATOM 796 C SER A 54 7.577 6.548 8.692 1.00 0.52 C ATOM 797 O SER A 54 8.452 6.875 9.501 1.00 0.62 O ATOM 798 CB SER A 54 5.563 8.052 8.813 1.00 0.69 C ATOM 799 OG SER A 54 4.651 8.827 8.021 1.00 1.38 O ATOM 0 H SER A 54 5.198 6.861 6.752 1.00 0.45 H new ATOM 0 HA SER A 54 7.400 8.441 7.739 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.052 7.184 9.229 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.923 8.644 9.655 1.00 0.69 H new ATOM 0 HG SER A 54 4.033 8.227 7.553 1.00 1.38 H new ATOM 805 N ARG A 55 7.337 5.305 8.363 1.00 0.53 N ATOM 806 CA ARG A 55 7.967 4.176 9.027 1.00 0.62 C ATOM 807 C ARG A 55 9.328 3.832 8.392 1.00 0.57 C ATOM 808 O ARG A 55 10.246 3.368 9.076 1.00 0.68 O ATOM 809 CB ARG A 55 6.992 2.997 8.959 1.00 0.78 C ATOM 810 CG ARG A 55 7.436 1.684 9.560 1.00 0.95 C ATOM 811 CD ARG A 55 6.313 0.669 9.414 1.00 1.19 C ATOM 812 NE ARG A 55 6.738 -0.686 9.726 1.00 1.42 N ATOM 813 CZ ARG A 55 6.707 -1.693 8.859 1.00 1.79 C ATOM 814 NH1 ARG A 55 6.092 -1.547 7.681 1.00 1.97 N ATOM 815 NH2 ARG A 55 7.241 -2.848 9.176 1.00 2.41 N ATOM 0 H ARG A 55 6.693 5.037 7.619 1.00 0.53 H new ATOM 0 HA ARG A 55 8.180 4.422 10.067 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.068 3.297 9.453 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.750 2.822 7.911 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.335 1.325 9.059 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.689 1.817 10.612 1.00 0.95 H new ATOM 0 HD2 ARG A 55 5.489 0.948 10.071 1.00 1.19 H new ATOM 0 HD3 ARG A 55 5.931 0.700 8.394 1.00 1.19 H new ATOM 0 HE ARG A 55 7.081 -0.875 10.668 1.00 1.42 H new ATOM 0 HH11 ARG A 55 5.645 -0.661 7.445 1.00 1.97 H new ATOM 0 HH12 ARG A 55 6.070 -2.322 7.018 1.00 1.97 H new ATOM 0 HH21 ARG A 55 7.680 -2.974 10.088 1.00 2.41 H new ATOM 0 HH22 ARG A 55 7.217 -3.621 8.511 1.00 2.41 H new ATOM 829 N TYR A 56 9.450 4.043 7.094 1.00 0.49 N ATOM 830 CA TYR A 56 10.703 3.743 6.401 1.00 0.54 C ATOM 831 C TYR A 56 11.451 4.977 5.938 1.00 0.53 C ATOM 832 O TYR A 56 12.669 4.936 5.766 1.00 0.71 O ATOM 833 CB TYR A 56 10.496 2.753 5.245 1.00 0.57 C ATOM 834 CG TYR A 56 10.268 1.341 5.718 1.00 0.68 C ATOM 835 CD1 TYR A 56 11.346 0.497 5.944 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.993 0.854 5.958 1.00 0.66 C ATOM 837 CE1 TYR A 56 11.165 -0.785 6.399 1.00 1.09 C ATOM 838 CE2 TYR A 56 8.800 -0.432 6.409 1.00 0.82 C ATOM 839 CZ TYR A 56 9.895 -1.251 6.629 1.00 1.02 C ATOM 840 OH TYR A 56 9.725 -2.534 7.111 1.00 1.20 O ATOM 0 H TYR A 56 8.710 4.416 6.499 1.00 0.49 H new ATOM 0 HA TYR A 56 11.338 3.265 7.147 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.643 3.073 4.647 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.369 2.776 4.592 1.00 0.57 H new ATOM 0 HD1 TYR A 56 12.347 0.856 5.758 1.00 0.94 H new ATOM 0 HD2 TYR A 56 8.139 1.493 5.789 1.00 0.66 H new ATOM 0 HE1 TYR A 56 12.018 -1.424 6.575 1.00 1.09 H new ATOM 0 HE2 TYR A 56 7.801 -0.800 6.590 1.00 0.82 H new ATOM 0 HH TYR A 56 8.778 -2.781 7.058 1.00 1.20 H new ATOM 850 N GLY A 57 10.753 6.065 5.765 1.00 0.44 N ATOM 851 CA GLY A 57 11.394 7.262 5.290 1.00 0.45 C ATOM 852 C GLY A 57 11.255 7.393 3.798 1.00 0.45 C ATOM 853 O GLY A 57 12.209 7.708 3.095 1.00 0.60 O ATOM 0 H GLY A 57 9.752 6.149 5.943 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.954 8.132 5.777 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.450 7.245 5.560 1.00 0.45 H new ATOM 857 N VAL A 58 10.065 7.128 3.312 1.00 0.37 N ATOM 858 CA VAL A 58 9.776 7.232 1.900 1.00 0.39 C ATOM 859 C VAL A 58 8.626 8.194 1.731 1.00 0.40 C ATOM 860 O VAL A 58 8.108 8.697 2.733 1.00 0.42 O ATOM 861 CB VAL A 58 9.427 5.856 1.234 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.540 4.859 1.447 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.114 5.284 1.760 1.00 0.38 C ATOM 0 H VAL A 58 9.272 6.835 3.882 1.00 0.37 H new ATOM 0 HA VAL A 58 10.674 7.589 1.396 1.00 0.39 H new ATOM 0 HB VAL A 58 9.310 6.041 0.166 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.275 3.912 0.976 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.460 5.240 1.003 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.690 4.704 2.515 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.911 4.331 1.272 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.189 5.132 2.837 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.303 5.980 1.548 1.00 0.38 H new ATOM 873 N SER A 59 8.216 8.447 0.521 1.00 0.46 N ATOM 874 CA SER A 59 7.092 9.288 0.306 1.00 0.56 C ATOM 875 C SER A 59 6.452 8.947 -1.023 1.00 0.54 C ATOM 876 O SER A 59 7.150 8.656 -2.001 1.00 0.61 O ATOM 877 CB SER A 59 7.481 10.774 0.371 1.00 0.79 C ATOM 878 OG SER A 59 6.329 11.605 0.464 1.00 1.33 O ATOM 0 H SER A 59 8.648 8.079 -0.326 1.00 0.46 H new ATOM 0 HA SER A 59 6.368 9.114 1.102 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.127 10.946 1.232 1.00 0.79 H new ATOM 0 HB3 SER A 59 8.055 11.041 -0.516 1.00 0.79 H new ATOM 0 HG SER A 59 5.569 11.076 0.784 1.00 1.33 H new ATOM 884 N ILE A 60 5.152 8.937 -1.037 1.00 0.48 N ATOM 885 CA ILE A 60 4.376 8.720 -2.219 1.00 0.46 C ATOM 886 C ILE A 60 3.393 9.858 -2.313 1.00 0.50 C ATOM 887 O ILE A 60 2.636 10.094 -1.365 1.00 0.58 O ATOM 888 CB ILE A 60 3.577 7.378 -2.186 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.516 6.171 -2.108 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.656 7.256 -3.407 1.00 0.43 C ATOM 891 CD1 ILE A 60 3.791 4.845 -2.077 1.00 1.13 C ATOM 0 H ILE A 60 4.587 9.084 -0.201 1.00 0.48 H new ATOM 0 HA ILE A 60 5.052 8.668 -3.073 1.00 0.46 H new ATOM 0 HB ILE A 60 2.961 7.388 -1.287 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.189 6.188 -2.965 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.135 6.259 -1.215 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.112 6.313 -3.359 1.00 0.43 H new ATOM 0 HG22 ILE A 60 1.947 8.084 -3.412 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.254 7.284 -4.318 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.518 4.034 -2.022 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.138 4.808 -1.205 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.194 4.736 -2.982 1.00 1.13 H new ATOM 903 N PRO A 61 3.434 10.624 -3.409 1.00 0.52 N ATOM 904 CA PRO A 61 2.475 11.696 -3.645 1.00 0.58 C ATOM 905 C PRO A 61 1.046 11.159 -3.585 1.00 0.52 C ATOM 906 O PRO A 61 0.765 10.070 -4.103 1.00 0.45 O ATOM 907 CB PRO A 61 2.811 12.161 -5.057 1.00 0.63 C ATOM 908 CG PRO A 61 4.248 11.812 -5.227 1.00 0.65 C ATOM 909 CD PRO A 61 4.437 10.529 -4.488 1.00 0.56 C ATOM 0 HA PRO A 61 2.533 12.494 -2.905 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.190 11.660 -5.799 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.645 13.232 -5.173 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.502 11.699 -6.281 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.892 12.595 -4.826 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.262 9.664 -5.128 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.449 10.435 -4.093 1.00 0.56 H new ATOM 917 N ASP A 62 0.172 11.934 -2.965 1.00 0.64 N ATOM 918 CA ASP A 62 -1.235 11.571 -2.680 1.00 0.72 C ATOM 919 C ASP A 62 -1.930 10.959 -3.892 1.00 0.61 C ATOM 920 O ASP A 62 -2.571 9.913 -3.795 1.00 0.65 O ATOM 921 CB ASP A 62 -2.024 12.814 -2.221 1.00 1.00 C ATOM 922 CG ASP A 62 -1.424 13.502 -1.006 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.485 14.287 -1.146 1.00 1.40 O ATOM 924 OD2 ASP A 62 -1.905 13.252 0.126 1.00 1.97 O ATOM 0 H ASP A 62 0.415 12.866 -2.629 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.215 10.823 -1.887 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.073 13.527 -3.044 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -3.048 12.520 -1.992 1.00 1.00 H new ATOM 929 N ASP A 63 -1.754 11.596 -5.039 1.00 0.57 N ATOM 930 CA ASP A 63 -2.375 11.150 -6.299 1.00 0.62 C ATOM 931 C ASP A 63 -1.882 9.769 -6.729 1.00 0.52 C ATOM 932 O ASP A 63 -2.654 8.949 -7.205 1.00 0.65 O ATOM 933 CB ASP A 63 -2.090 12.159 -7.409 1.00 0.78 C ATOM 934 CG ASP A 63 -2.639 11.738 -8.763 1.00 1.29 C ATOM 935 OD1 ASP A 63 -3.842 11.923 -9.017 1.00 1.94 O ATOM 936 OD2 ASP A 63 -1.860 11.265 -9.627 1.00 1.87 O ATOM 0 H ASP A 63 -1.181 12.434 -5.134 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.448 11.081 -6.122 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -2.521 13.122 -7.134 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -1.013 12.303 -7.491 1.00 0.78 H new ATOM 941 N VAL A 64 -0.616 9.497 -6.460 1.00 0.42 N ATOM 942 CA VAL A 64 0.041 8.286 -6.927 1.00 0.39 C ATOM 943 C VAL A 64 -0.407 7.035 -6.132 1.00 0.33 C ATOM 944 O VAL A 64 -0.273 5.901 -6.602 1.00 0.37 O ATOM 945 CB VAL A 64 1.600 8.446 -6.965 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.290 7.232 -7.585 1.00 0.55 C ATOM 947 CG2 VAL A 64 1.988 9.708 -7.729 1.00 0.56 C ATOM 0 H VAL A 64 -0.013 10.110 -5.911 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.281 8.125 -7.956 1.00 0.39 H new ATOM 0 HB VAL A 64 1.938 8.527 -5.932 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.369 7.389 -7.589 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.055 6.342 -7.001 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.939 7.097 -8.608 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.074 9.804 -7.746 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.613 9.644 -8.751 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.554 10.579 -7.237 1.00 0.56 H new ATOM 957 N ALA A 65 -0.992 7.252 -4.964 1.00 0.35 N ATOM 958 CA ALA A 65 -1.490 6.179 -4.158 1.00 0.38 C ATOM 959 C ALA A 65 -2.695 5.572 -4.855 1.00 0.43 C ATOM 960 O ALA A 65 -2.761 4.374 -5.099 1.00 0.47 O ATOM 961 CB ALA A 65 -1.863 6.702 -2.780 1.00 0.44 C ATOM 0 H ALA A 65 -1.128 8.179 -4.560 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.726 5.412 -4.030 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.242 5.882 -2.170 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.982 7.132 -2.303 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.633 7.467 -2.877 1.00 0.44 H new ATOM 967 N GLY A 66 -3.607 6.427 -5.256 1.00 0.49 N ATOM 968 CA GLY A 66 -4.786 5.984 -5.960 1.00 0.59 C ATOM 969 C GLY A 66 -4.557 6.036 -7.453 1.00 0.53 C ATOM 970 O GLY A 66 -5.405 6.502 -8.209 1.00 0.69 O ATOM 0 H GLY A 66 -3.554 7.435 -5.106 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.037 4.967 -5.659 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.635 6.614 -5.693 1.00 0.59 H new ATOM 974 N ARG A 67 -3.386 5.594 -7.854 1.00 0.45 N ATOM 975 CA ARG A 67 -2.972 5.593 -9.221 1.00 0.45 C ATOM 976 C ARG A 67 -2.393 4.201 -9.564 1.00 0.39 C ATOM 977 O ARG A 67 -1.818 3.973 -10.638 1.00 0.51 O ATOM 978 CB ARG A 67 -1.959 6.725 -9.360 1.00 0.56 C ATOM 979 CG ARG A 67 -1.449 7.038 -10.730 1.00 1.08 C ATOM 980 CD ARG A 67 -0.629 8.318 -10.671 1.00 1.48 C ATOM 981 NE ARG A 67 0.012 8.657 -11.937 1.00 2.15 N ATOM 982 CZ ARG A 67 0.349 9.896 -12.321 1.00 2.93 C ATOM 983 NH1 ARG A 67 -0.052 10.968 -11.624 1.00 3.24 N ATOM 984 NH2 ARG A 67 1.068 10.052 -13.426 1.00 3.83 N ATOM 0 H ARG A 67 -2.685 5.218 -7.215 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.788 5.765 -9.923 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -2.411 7.631 -8.956 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.102 6.487 -8.730 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -0.838 6.216 -11.101 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -2.281 7.155 -11.424 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -1.276 9.141 -10.369 1.00 1.48 H new ATOM 0 HD3 ARG A 67 0.136 8.215 -9.902 1.00 1.48 H new ATOM 0 HE ARG A 67 0.220 7.892 -12.579 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -0.623 10.848 -10.787 1.00 3.24 H new ATOM 0 HH12 ARG A 67 0.214 11.904 -11.930 1.00 3.24 H new ATOM 0 HH21 ARG A 67 1.355 9.236 -13.967 1.00 3.83 H new ATOM 0 HH22 ARG A 67 1.334 10.987 -13.734 1.00 3.83 H new ATOM 998 N VAL A 68 -2.571 3.267 -8.638 1.00 0.35 N ATOM 999 CA VAL A 68 -2.160 1.891 -8.852 1.00 0.34 C ATOM 1000 C VAL A 68 -3.386 1.008 -9.056 1.00 0.39 C ATOM 1001 O VAL A 68 -4.522 1.466 -8.864 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.266 1.307 -7.707 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.045 2.049 -7.607 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.978 1.332 -6.362 1.00 0.36 C ATOM 0 H VAL A 68 -2.999 3.442 -7.729 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.539 1.896 -9.748 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.065 0.267 -7.965 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.645 1.621 -6.803 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.586 1.961 -8.549 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.147 3.101 -7.396 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.323 0.918 -5.596 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.233 2.360 -6.105 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.889 0.736 -6.421 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.175 -0.231 -9.418 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.282 -1.162 -9.620 1.00 0.49 C ATOM 1016 C ASP A 69 -4.229 -2.210 -8.522 1.00 0.40 C ATOM 1017 O ASP A 69 -5.166 -2.370 -7.718 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.135 -1.849 -10.994 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.338 -2.679 -11.440 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -5.757 -3.605 -10.740 1.00 0.86 O ATOM 1021 OD2 ASP A 69 -5.837 -2.456 -12.568 1.00 1.17 O ATOM 0 H ASP A 69 -2.251 -0.630 -9.582 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.232 -0.629 -9.589 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -3.943 -1.084 -11.746 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.258 -2.496 -10.967 1.00 0.68 H new ATOM 1026 N THR A 70 -3.098 -2.869 -8.448 1.00 0.38 N ATOM 1027 CA THR A 70 -2.903 -3.958 -7.544 1.00 0.35 C ATOM 1028 C THR A 70 -1.839 -3.620 -6.472 1.00 0.33 C ATOM 1029 O THR A 70 -0.988 -2.728 -6.679 1.00 0.33 O ATOM 1030 CB THR A 70 -2.473 -5.197 -8.345 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.240 -4.928 -9.021 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.536 -5.559 -9.369 1.00 0.47 C ATOM 0 H THR A 70 -2.283 -2.656 -9.023 1.00 0.38 H new ATOM 0 HA THR A 70 -3.840 -4.155 -7.024 1.00 0.35 H new ATOM 0 HB THR A 70 -2.343 -6.031 -7.656 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.398 -4.290 -9.748 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.218 -6.438 -9.929 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.475 -5.774 -8.858 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.679 -4.724 -10.055 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.865 -4.330 -5.305 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.921 -4.116 -4.193 1.00 0.33 C ATOM 1042 C PRO A 71 0.549 -4.257 -4.588 1.00 0.29 C ATOM 1043 O PRO A 71 1.422 -3.630 -3.972 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.306 -5.203 -3.182 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.734 -5.459 -3.467 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.860 -5.368 -4.956 1.00 0.39 C ATOM 0 HA PRO A 71 -0.997 -3.097 -3.813 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.704 -6.102 -3.313 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.157 -4.866 -2.156 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -3.038 -6.441 -3.106 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.372 -4.726 -2.972 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.639 -6.319 -5.440 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.867 -5.082 -5.260 1.00 0.39 H new ATOM 1054 N ARG A 72 0.825 -5.037 -5.632 1.00 0.31 N ATOM 1055 CA ARG A 72 2.204 -5.241 -6.075 1.00 0.31 C ATOM 1056 C ARG A 72 2.804 -3.918 -6.593 1.00 0.29 C ATOM 1057 O ARG A 72 3.998 -3.668 -6.463 1.00 0.31 O ATOM 1058 CB ARG A 72 2.308 -6.365 -7.142 1.00 0.36 C ATOM 1059 CG ARG A 72 1.669 -6.048 -8.491 1.00 0.48 C ATOM 1060 CD ARG A 72 1.843 -7.195 -9.490 1.00 0.58 C ATOM 1061 NE ARG A 72 1.008 -8.383 -9.188 1.00 1.01 N ATOM 1062 CZ ARG A 72 1.476 -9.634 -8.967 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.769 -9.851 -8.798 1.00 1.35 N ATOM 1064 NH2 ARG A 72 0.643 -10.666 -8.924 1.00 2.47 N ATOM 0 H ARG A 72 0.123 -5.532 -6.181 1.00 0.31 H new ATOM 0 HA ARG A 72 2.786 -5.568 -5.214 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.362 -6.594 -7.303 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.844 -7.266 -6.742 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.607 -5.847 -8.351 1.00 0.48 H new ATOM 0 HG3 ARG A 72 2.114 -5.141 -8.899 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.598 -6.835 -10.489 1.00 0.58 H new ATOM 0 HD3 ARG A 72 2.891 -7.494 -9.507 1.00 0.58 H new ATOM 0 HE ARG A 72 -0.002 -8.246 -9.143 1.00 1.01 H new ATOM 0 HH11 ARG A 72 3.426 -9.071 -8.833 1.00 1.35 H new ATOM 0 HH12 ARG A 72 3.110 -10.798 -8.632 1.00 1.35 H new ATOM 0 HH21 ARG A 72 -0.358 -10.520 -9.058 1.00 2.47 H new ATOM 0 HH22 ARG A 72 1.003 -11.606 -8.757 1.00 2.47 H new ATOM 1078 N GLU A 73 1.940 -3.056 -7.101 1.00 0.28 N ATOM 1079 CA GLU A 73 2.343 -1.770 -7.640 1.00 0.28 C ATOM 1080 C GLU A 73 2.565 -0.756 -6.518 1.00 0.25 C ATOM 1081 O GLU A 73 3.439 0.104 -6.616 1.00 0.25 O ATOM 1082 CB GLU A 73 1.284 -1.275 -8.592 1.00 0.33 C ATOM 1083 CG GLU A 73 1.071 -2.178 -9.776 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.209 -1.868 -10.476 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -0.271 -0.889 -11.227 1.00 1.24 O ATOM 1086 OE2 GLU A 73 -1.178 -2.609 -10.278 1.00 2.06 O ATOM 0 H GLU A 73 0.936 -3.230 -7.151 1.00 0.28 H new ATOM 0 HA GLU A 73 3.285 -1.889 -8.175 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.343 -1.169 -8.052 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.562 -0.283 -8.947 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.903 -2.070 -10.472 1.00 0.45 H new ATOM 0 HG3 GLU A 73 1.064 -3.217 -9.446 1.00 0.45 H new ATOM 1093 N LEU A 74 1.775 -0.881 -5.452 1.00 0.27 N ATOM 1094 CA LEU A 74 1.896 -0.021 -4.265 1.00 0.27 C ATOM 1095 C LEU A 74 3.268 -0.273 -3.665 1.00 0.25 C ATOM 1096 O LEU A 74 4.036 0.649 -3.389 1.00 0.25 O ATOM 1097 CB LEU A 74 0.813 -0.433 -3.239 1.00 0.30 C ATOM 1098 CG LEU A 74 0.491 0.534 -2.045 1.00 0.34 C ATOM 1099 CD1 LEU A 74 -0.660 -0.012 -1.229 1.00 0.98 C ATOM 1100 CD2 LEU A 74 1.677 0.755 -1.123 1.00 1.00 C ATOM 0 H LEU A 74 1.034 -1.578 -5.382 1.00 0.27 H new ATOM 0 HA LEU A 74 1.770 1.030 -4.524 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.114 -0.599 -3.788 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.109 -1.393 -2.815 1.00 0.30 H new ATOM 0 HG LEU A 74 0.231 1.494 -2.491 1.00 0.34 H new ATOM 0 HD11 LEU A 74 -0.875 0.667 -0.403 1.00 0.98 H new ATOM 0 HD12 LEU A 74 -1.543 -0.105 -1.862 1.00 0.98 H new ATOM 0 HD13 LEU A 74 -0.393 -0.992 -0.833 1.00 0.98 H new ATOM 0 HD21 LEU A 74 1.391 1.432 -0.318 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.992 -0.199 -0.700 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.501 1.191 -1.688 1.00 1.00 H new ATOM 1112 N LEU A 75 3.568 -1.547 -3.504 1.00 0.29 N ATOM 1113 CA LEU A 75 4.805 -2.008 -2.945 1.00 0.34 C ATOM 1114 C LEU A 75 5.999 -1.557 -3.812 1.00 0.29 C ATOM 1115 O LEU A 75 7.080 -1.227 -3.295 1.00 0.30 O ATOM 1116 CB LEU A 75 4.735 -3.513 -2.871 1.00 0.49 C ATOM 1117 CG LEU A 75 5.960 -4.214 -2.365 1.00 0.42 C ATOM 1118 CD1 LEU A 75 6.198 -3.935 -0.883 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.871 -5.686 -2.663 1.00 0.90 C ATOM 0 H LEU A 75 2.936 -2.303 -3.768 1.00 0.29 H new ATOM 0 HA LEU A 75 4.954 -1.586 -1.951 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.897 -3.785 -2.230 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.511 -3.894 -3.867 1.00 0.49 H new ATOM 0 HG LEU A 75 6.829 -3.818 -2.890 1.00 0.42 H new ATOM 0 HD11 LEU A 75 7.094 -4.460 -0.553 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.328 -2.864 -0.731 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.341 -4.282 -0.305 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.765 -6.187 -2.292 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.991 -6.104 -2.173 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.792 -5.835 -3.740 1.00 0.90 H new ATOM 1131 N ASP A 76 5.770 -1.508 -5.119 1.00 0.29 N ATOM 1132 CA ASP A 76 6.777 -1.074 -6.094 1.00 0.33 C ATOM 1133 C ASP A 76 7.106 0.395 -5.887 1.00 0.29 C ATOM 1134 O ASP A 76 8.246 0.823 -6.042 1.00 0.33 O ATOM 1135 CB ASP A 76 6.268 -1.299 -7.527 1.00 0.40 C ATOM 1136 CG ASP A 76 7.235 -0.817 -8.596 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.147 -1.589 -8.980 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.084 0.331 -9.085 1.00 0.63 O ATOM 0 H ASP A 76 4.878 -1.768 -5.539 1.00 0.29 H new ATOM 0 HA ASP A 76 7.680 -1.666 -5.946 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.077 -2.362 -7.674 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.315 -0.784 -7.651 1.00 0.40 H new ATOM 1143 N LEU A 77 6.104 1.153 -5.507 1.00 0.25 N ATOM 1144 CA LEU A 77 6.265 2.564 -5.235 1.00 0.25 C ATOM 1145 C LEU A 77 7.066 2.763 -3.958 1.00 0.26 C ATOM 1146 O LEU A 77 7.971 3.598 -3.904 1.00 0.32 O ATOM 1147 CB LEU A 77 4.911 3.232 -5.086 1.00 0.26 C ATOM 1148 CG LEU A 77 4.001 3.196 -6.300 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.671 3.856 -5.978 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.660 3.873 -7.494 1.00 0.38 C ATOM 0 H LEU A 77 5.153 0.809 -5.377 1.00 0.25 H new ATOM 0 HA LEU A 77 6.797 3.016 -6.072 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.388 2.761 -4.254 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.073 4.274 -4.812 1.00 0.26 H new ATOM 0 HG LEU A 77 3.820 2.154 -6.563 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.027 3.824 -6.857 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.191 3.325 -5.156 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.840 4.893 -5.690 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.988 3.834 -8.351 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.876 4.913 -7.249 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.589 3.357 -7.738 1.00 0.38 H new ATOM 1162 N ILE A 78 6.737 1.972 -2.947 1.00 0.25 N ATOM 1163 CA ILE A 78 7.413 2.028 -1.657 1.00 0.29 C ATOM 1164 C ILE A 78 8.895 1.712 -1.832 1.00 0.34 C ATOM 1165 O ILE A 78 9.750 2.559 -1.565 1.00 0.40 O ATOM 1166 CB ILE A 78 6.788 1.037 -0.638 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.313 1.375 -0.386 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.567 1.061 0.682 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.089 2.726 0.272 1.00 0.46 C ATOM 0 H ILE A 78 5.995 1.274 -2.997 1.00 0.25 H new ATOM 0 HA ILE A 78 7.293 3.038 -1.264 1.00 0.29 H new ATOM 0 HB ILE A 78 6.846 0.034 -1.061 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.779 1.353 -1.336 1.00 0.36 H new ATOM 0 HG13 ILE A 78 4.876 0.600 0.243 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.115 0.361 1.384 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.602 0.774 0.499 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.538 2.066 1.103 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.021 2.888 0.415 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.592 2.748 1.239 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.493 3.513 -0.365 1.00 0.46 H new ATOM 1181 N ASN A 79 9.196 0.501 -2.291 1.00 0.37 N ATOM 1182 CA ASN A 79 10.588 0.090 -2.489 1.00 0.46 C ATOM 1183 C ASN A 79 11.288 0.950 -3.529 1.00 0.40 C ATOM 1184 O ASN A 79 12.493 1.162 -3.455 1.00 0.45 O ATOM 1185 CB ASN A 79 10.730 -1.400 -2.836 1.00 0.62 C ATOM 1186 CG ASN A 79 10.404 -2.326 -1.671 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.532 -1.957 -0.509 1.00 1.89 O ATOM 1188 ND2 ASN A 79 10.070 -3.555 -1.970 1.00 0.56 N ATOM 0 H ASN A 79 8.505 -0.209 -2.532 1.00 0.37 H new ATOM 0 HA ASN A 79 11.081 0.243 -1.529 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.072 -1.635 -3.672 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.750 -1.592 -3.169 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.909 -4.235 -1.227 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.971 -3.833 -2.946 1.00 0.56 H new ATOM 1195 N GLY A 80 10.523 1.467 -4.477 1.00 0.38 N ATOM 1196 CA GLY A 80 11.065 2.353 -5.478 1.00 0.41 C ATOM 1197 C GLY A 80 11.564 3.643 -4.862 1.00 0.45 C ATOM 1198 O GLY A 80 12.646 4.120 -5.197 1.00 0.55 O ATOM 0 H GLY A 80 9.524 1.284 -4.569 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.883 1.857 -6.000 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.300 2.575 -6.222 1.00 0.41 H new ATOM 1202 N ALA A 81 10.796 4.189 -3.936 1.00 0.44 N ATOM 1203 CA ALA A 81 11.181 5.398 -3.232 1.00 0.51 C ATOM 1204 C ALA A 81 12.266 5.083 -2.202 1.00 0.54 C ATOM 1205 O ALA A 81 13.106 5.918 -1.889 1.00 0.69 O ATOM 1206 CB ALA A 81 9.970 6.031 -2.558 1.00 0.52 C ATOM 0 H ALA A 81 9.893 3.809 -3.652 1.00 0.44 H new ATOM 0 HA ALA A 81 11.581 6.111 -3.953 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.277 6.937 -2.035 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.224 6.283 -3.312 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.541 5.327 -1.845 1.00 0.52 H new ATOM 1212 N LEU A 82 12.253 3.854 -1.701 1.00 0.44 N ATOM 1213 CA LEU A 82 13.225 3.393 -0.743 1.00 0.50 C ATOM 1214 C LEU A 82 14.598 3.236 -1.412 1.00 0.60 C ATOM 1215 O LEU A 82 15.633 3.459 -0.793 1.00 0.70 O ATOM 1216 CB LEU A 82 12.747 2.074 -0.117 1.00 0.48 C ATOM 1217 CG LEU A 82 13.659 1.468 0.930 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.821 2.401 2.130 1.00 0.60 C ATOM 1219 CD2 LEU A 82 13.159 0.106 1.364 1.00 0.66 C ATOM 0 H LEU A 82 11.559 3.151 -1.956 1.00 0.44 H new ATOM 0 HA LEU A 82 13.330 4.129 0.054 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.769 2.242 0.335 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.608 1.345 -0.915 1.00 0.48 H new ATOM 0 HG LEU A 82 14.642 1.336 0.477 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.481 1.938 2.864 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.251 3.347 1.800 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.846 2.584 2.583 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.832 -0.306 2.116 1.00 0.66 H new ATOM 0 HD22 LEU A 82 12.159 0.203 1.787 1.00 0.66 H new ATOM 0 HD23 LEU A 82 13.126 -0.561 0.502 1.00 0.66 H new ATOM 1231 N ALA A 83 14.592 2.905 -2.695 1.00 0.64 N ATOM 1232 CA ALA A 83 15.824 2.779 -3.481 1.00 0.79 C ATOM 1233 C ALA A 83 16.524 4.131 -3.607 1.00 0.95 C ATOM 1234 O ALA A 83 17.738 4.207 -3.748 1.00 1.13 O ATOM 1235 CB ALA A 83 15.516 2.221 -4.861 1.00 0.86 C ATOM 0 H ALA A 83 13.741 2.716 -3.224 1.00 0.64 H new ATOM 0 HA ALA A 83 16.491 2.090 -2.962 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.440 2.133 -5.433 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.056 1.238 -4.762 1.00 0.86 H new ATOM 0 HB3 ALA A 83 14.831 2.891 -5.380 1.00 0.86 H new ATOM 1241 N GLU A 84 15.745 5.194 -3.523 1.00 0.95 N ATOM 1242 CA GLU A 84 16.245 6.529 -3.604 1.00 1.17 C ATOM 1243 C GLU A 84 16.830 6.953 -2.245 1.00 1.25 C ATOM 1244 O GLU A 84 17.484 7.990 -2.126 1.00 1.52 O ATOM 1245 CB GLU A 84 15.110 7.458 -4.001 1.00 1.23 C ATOM 1246 CG GLU A 84 14.390 7.080 -5.292 1.00 1.40 C ATOM 1247 CD GLU A 84 15.297 7.036 -6.496 1.00 1.80 C ATOM 1248 OE1 GLU A 84 15.568 8.100 -7.092 1.00 2.17 O ATOM 1249 OE2 GLU A 84 15.758 5.943 -6.868 1.00 2.47 O ATOM 0 H GLU A 84 14.735 5.139 -3.395 1.00 0.95 H new ATOM 0 HA GLU A 84 17.036 6.582 -4.352 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.382 7.484 -3.191 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.507 8.468 -4.106 1.00 1.23 H new ATOM 0 HG2 GLU A 84 13.921 6.104 -5.165 1.00 1.40 H new ATOM 0 HG3 GLU A 84 13.590 7.797 -5.476 1.00 1.40 H new