USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 556 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 -85:sc= 1.23 USER MOD Set 1.2: A 48 THR OG1 : rot -72:sc= 0.884 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= -0.135 USER MOD Set 2.2: A 7 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0691 USER MOD Single : A 40 TYR OH : rot 158:sc= -1.74! USER MOD Single : A 42 SER OG : rot 180:sc= -0.151 USER MOD Single : A 46 MET CE :methyl -157:sc= -0.21 (180deg=-1.01) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -112:sc= 1.03 USER MOD Single : A 59 SER OG : rot 15:sc= 0.737 USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000425 USER MOD Single : A 79 ASN : amide:sc= 0.194 K(o=0.19,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -10.474 9.474 0.365 1.00 0.64 N ATOM 45 CA LEU A 4 -10.047 8.275 -0.342 1.00 0.51 C ATOM 46 C LEU A 4 -8.567 8.021 -0.102 1.00 0.45 C ATOM 47 O LEU A 4 -7.894 8.824 0.543 1.00 0.52 O ATOM 48 CB LEU A 4 -10.305 8.421 -1.845 1.00 0.57 C ATOM 49 CG LEU A 4 -11.776 8.563 -2.249 1.00 0.58 C ATOM 50 CD1 LEU A 4 -11.902 8.740 -3.754 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.572 7.355 -1.786 1.00 0.84 C ATOM 0 HA LEU A 4 -10.622 7.430 0.037 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.761 9.293 -2.207 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -9.888 7.552 -2.354 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.182 9.451 -1.764 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -12.954 8.839 -4.022 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.363 9.636 -4.061 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.479 7.872 -4.259 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.615 7.472 -2.081 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.164 6.454 -2.243 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.509 7.272 -0.701 1.00 0.84 H new ATOM 63 N LEU A 5 -8.059 6.914 -0.622 1.00 0.39 N ATOM 64 CA LEU A 5 -6.639 6.627 -0.525 1.00 0.35 C ATOM 65 C LEU A 5 -5.938 7.207 -1.749 1.00 0.35 C ATOM 66 O LEU A 5 -6.274 6.848 -2.879 1.00 0.41 O ATOM 67 CB LEU A 5 -6.424 5.109 -0.439 1.00 0.38 C ATOM 68 CG LEU A 5 -5.031 4.633 0.001 1.00 0.58 C ATOM 69 CD1 LEU A 5 -5.096 3.175 0.414 1.00 1.00 C ATOM 70 CD2 LEU A 5 -4.001 4.798 -1.108 1.00 0.98 C ATOM 0 H LEU A 5 -8.605 6.205 -1.112 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.221 7.081 0.374 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.158 4.700 0.255 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.637 4.679 -1.418 1.00 0.38 H new ATOM 0 HG LEU A 5 -4.721 5.250 0.844 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.106 2.841 0.725 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.795 3.062 1.243 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.434 2.573 -0.429 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.029 4.450 -0.757 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -4.304 4.213 -1.976 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -3.931 5.850 -1.386 1.00 0.98 H new ATOM 82 N THR A 6 -4.971 8.085 -1.536 1.00 0.39 N ATOM 83 CA THR A 6 -4.271 8.708 -2.649 1.00 0.49 C ATOM 84 C THR A 6 -2.800 8.296 -2.679 1.00 0.42 C ATOM 85 O THR A 6 -2.292 7.679 -1.736 1.00 0.41 O ATOM 86 CB THR A 6 -4.391 10.252 -2.605 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.894 10.833 -3.820 1.00 1.21 O ATOM 88 CG2 THR A 6 -3.626 10.826 -1.421 1.00 1.03 C ATOM 0 H THR A 6 -4.655 8.381 -0.612 1.00 0.39 H new ATOM 0 HA THR A 6 -4.748 8.355 -3.563 1.00 0.49 H new ATOM 0 HB THR A 6 -5.447 10.497 -2.495 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.979 11.808 -3.775 1.00 1.21 H new ATOM 0 HG21 THR A 6 -3.727 11.911 -1.414 1.00 1.03 H new ATOM 0 HG22 THR A 6 -4.030 10.418 -0.494 1.00 1.03 H new ATOM 0 HG23 THR A 6 -2.572 10.560 -1.505 1.00 1.03 H new ATOM 96 N THR A 7 -2.133 8.642 -3.771 1.00 0.47 N ATOM 97 CA THR A 7 -0.727 8.325 -3.975 1.00 0.45 C ATOM 98 C THR A 7 0.152 8.874 -2.854 1.00 0.34 C ATOM 99 O THR A 7 1.094 8.217 -2.405 1.00 0.33 O ATOM 100 CB THR A 7 -0.260 8.887 -5.326 1.00 0.59 C ATOM 101 OG1 THR A 7 -0.939 10.126 -5.587 1.00 1.30 O ATOM 102 CG2 THR A 7 -0.547 7.906 -6.448 1.00 1.06 C ATOM 0 H THR A 7 -2.555 9.154 -4.545 1.00 0.47 H new ATOM 0 HA THR A 7 -0.628 7.240 -3.969 1.00 0.45 H new ATOM 0 HB THR A 7 0.816 9.054 -5.280 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.641 10.487 -6.448 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.207 8.326 -7.395 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.021 6.971 -6.257 1.00 1.06 H new ATOM 0 HG23 THR A 7 -1.619 7.716 -6.499 1.00 1.06 H new ATOM 110 N ASP A 8 -0.169 10.081 -2.405 1.00 0.41 N ATOM 111 CA ASP A 8 0.588 10.736 -1.342 1.00 0.46 C ATOM 112 C ASP A 8 0.546 9.907 -0.065 1.00 0.40 C ATOM 113 O ASP A 8 1.576 9.685 0.578 1.00 0.48 O ATOM 114 CB ASP A 8 0.028 12.135 -1.071 1.00 0.64 C ATOM 115 CG ASP A 8 -0.009 12.993 -2.318 1.00 1.36 C ATOM 116 OD1 ASP A 8 -1.030 12.968 -3.036 1.00 2.19 O ATOM 117 OD2 ASP A 8 0.981 13.706 -2.578 1.00 1.63 O ATOM 0 H ASP A 8 -0.952 10.629 -2.761 1.00 0.41 H new ATOM 0 HA ASP A 8 1.624 10.826 -1.669 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.979 12.048 -0.663 1.00 0.64 H new ATOM 0 HB3 ASP A 8 0.637 12.627 -0.313 1.00 0.64 H new ATOM 122 N ASP A 9 -0.650 9.440 0.286 1.00 0.40 N ATOM 123 CA ASP A 9 -0.837 8.622 1.482 1.00 0.44 C ATOM 124 C ASP A 9 -0.116 7.297 1.358 1.00 0.38 C ATOM 125 O ASP A 9 0.450 6.801 2.326 1.00 0.44 O ATOM 126 CB ASP A 9 -2.314 8.357 1.747 1.00 0.58 C ATOM 127 CG ASP A 9 -3.052 9.596 2.181 1.00 0.86 C ATOM 128 OD1 ASP A 9 -2.521 10.329 3.047 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.158 9.835 1.660 1.00 1.12 O ATOM 0 H ASP A 9 -1.505 9.614 -0.242 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.418 9.184 2.317 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -2.777 7.960 0.843 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.410 7.592 2.517 1.00 0.58 H new ATOM 134 N LEU A 10 -0.149 6.721 0.169 1.00 0.35 N ATOM 135 CA LEU A 10 0.515 5.456 -0.069 1.00 0.37 C ATOM 136 C LEU A 10 2.014 5.594 0.190 1.00 0.37 C ATOM 137 O LEU A 10 2.610 4.765 0.869 1.00 0.42 O ATOM 138 CB LEU A 10 0.246 4.991 -1.497 1.00 0.42 C ATOM 139 CG LEU A 10 0.617 3.538 -1.791 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.118 2.601 -0.845 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.284 3.193 -3.233 1.00 0.79 C ATOM 0 H LEU A 10 -0.628 7.110 -0.643 1.00 0.35 H new ATOM 0 HA LEU A 10 0.120 4.706 0.616 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -0.813 5.129 -1.713 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.798 5.635 -2.182 1.00 0.42 H new ATOM 0 HG LEU A 10 1.689 3.416 -1.638 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.157 1.570 -1.067 1.00 1.08 H new ATOM 0 HD12 LEU A 10 0.155 2.835 0.184 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.193 2.725 -0.973 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.553 2.155 -3.430 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.784 3.330 -3.402 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.844 3.846 -3.902 1.00 0.79 H new ATOM 153 N ARG A 11 2.603 6.668 -0.332 1.00 0.37 N ATOM 154 CA ARG A 11 4.023 6.949 -0.129 1.00 0.45 C ATOM 155 C ARG A 11 4.383 7.024 1.360 1.00 0.48 C ATOM 156 O ARG A 11 5.331 6.379 1.806 1.00 0.60 O ATOM 157 CB ARG A 11 4.415 8.254 -0.838 1.00 0.52 C ATOM 158 CG ARG A 11 5.803 8.755 -0.471 1.00 0.67 C ATOM 159 CD ARG A 11 6.271 9.859 -1.407 1.00 0.85 C ATOM 160 NE ARG A 11 5.299 10.944 -1.547 1.00 1.04 N ATOM 161 CZ ARG A 11 5.640 12.206 -1.813 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.922 12.558 -1.827 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.706 13.120 -2.051 1.00 2.17 N ATOM 0 H ARG A 11 2.116 7.361 -0.901 1.00 0.37 H new ATOM 0 HA ARG A 11 4.586 6.123 -0.562 1.00 0.45 H new ATOM 0 HB2 ARG A 11 4.367 8.100 -1.916 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.684 9.024 -0.593 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.796 9.126 0.554 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.510 7.926 -0.505 1.00 0.67 H new ATOM 0 HD2 ARG A 11 7.211 10.267 -1.036 1.00 0.85 H new ATOM 0 HD3 ARG A 11 6.474 9.432 -2.389 1.00 0.85 H new ATOM 0 HE ARG A 11 4.309 10.724 -1.435 1.00 1.04 H new ATOM 0 HH11 ARG A 11 7.644 11.863 -1.634 1.00 1.64 H new ATOM 0 HH12 ARG A 11 7.184 13.523 -2.030 1.00 1.64 H new ATOM 0 HH21 ARG A 11 3.720 12.859 -2.031 1.00 2.17 H new ATOM 0 HH22 ARG A 11 4.975 14.083 -2.254 1.00 2.17 H new ATOM 177 N ARG A 12 3.619 7.797 2.126 1.00 0.43 N ATOM 178 CA ARG A 12 3.925 8.007 3.539 1.00 0.46 C ATOM 179 C ARG A 12 3.651 6.757 4.371 1.00 0.44 C ATOM 180 O ARG A 12 4.334 6.511 5.362 1.00 0.46 O ATOM 181 CB ARG A 12 3.142 9.199 4.101 1.00 0.53 C ATOM 182 CG ARG A 12 1.649 9.120 3.848 1.00 0.91 C ATOM 183 CD ARG A 12 0.900 10.293 4.460 1.00 1.49 C ATOM 184 NE ARG A 12 0.888 10.240 5.920 1.00 2.06 N ATOM 185 CZ ARG A 12 0.520 11.255 6.702 1.00 2.93 C ATOM 186 NH1 ARG A 12 0.108 12.398 6.160 1.00 3.32 N ATOM 187 NH2 ARG A 12 0.559 11.122 8.021 1.00 3.66 N ATOM 0 H ARG A 12 2.787 8.286 1.795 1.00 0.43 H new ATOM 0 HA ARG A 12 4.991 8.226 3.605 1.00 0.46 H new ATOM 0 HB2 ARG A 12 3.317 9.264 5.175 1.00 0.53 H new ATOM 0 HB3 ARG A 12 3.529 10.117 3.659 1.00 0.53 H new ATOM 0 HG2 ARG A 12 1.465 9.094 2.774 1.00 0.91 H new ATOM 0 HG3 ARG A 12 1.261 8.188 4.260 1.00 0.91 H new ATOM 0 HD2 ARG A 12 1.362 11.226 4.136 1.00 1.49 H new ATOM 0 HD3 ARG A 12 -0.125 10.300 4.090 1.00 1.49 H new ATOM 0 HE ARG A 12 1.180 9.372 6.369 1.00 2.06 H new ATOM 0 HH11 ARG A 12 0.074 12.498 5.146 1.00 3.32 H new ATOM 0 HH12 ARG A 12 -0.173 13.174 6.759 1.00 3.32 H new ATOM 0 HH21 ARG A 12 0.870 10.244 8.436 1.00 3.66 H new ATOM 0 HH22 ARG A 12 0.278 11.898 8.620 1.00 3.66 H new ATOM 201 N ALA A 13 2.676 5.959 3.944 1.00 0.43 N ATOM 202 CA ALA A 13 2.246 4.792 4.710 1.00 0.44 C ATOM 203 C ALA A 13 3.377 3.784 4.881 1.00 0.43 C ATOM 204 O ALA A 13 3.504 3.163 5.938 1.00 0.47 O ATOM 205 CB ALA A 13 1.045 4.130 4.046 1.00 0.49 C ATOM 0 H ALA A 13 2.168 6.099 3.071 1.00 0.43 H new ATOM 0 HA ALA A 13 1.956 5.139 5.702 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.738 3.262 4.630 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.221 4.841 3.993 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.315 3.812 3.039 1.00 0.49 H new ATOM 211 N LEU A 14 4.205 3.641 3.848 1.00 0.41 N ATOM 212 CA LEU A 14 5.343 2.723 3.890 1.00 0.45 C ATOM 213 C LEU A 14 6.380 3.186 4.914 1.00 0.47 C ATOM 214 O LEU A 14 7.124 2.382 5.475 1.00 0.53 O ATOM 215 CB LEU A 14 5.998 2.601 2.509 1.00 0.49 C ATOM 216 CG LEU A 14 5.326 1.627 1.527 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.291 0.217 2.101 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.923 2.087 1.166 1.00 0.70 C ATOM 0 H LEU A 14 4.109 4.150 2.969 1.00 0.41 H new ATOM 0 HA LEU A 14 4.967 1.745 4.189 1.00 0.45 H new ATOM 0 HB2 LEU A 14 6.020 3.590 2.051 1.00 0.49 H new ATOM 0 HB3 LEU A 14 7.034 2.290 2.646 1.00 0.49 H new ATOM 0 HG LEU A 14 5.923 1.615 0.615 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.811 -0.454 1.389 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.309 -0.124 2.292 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.728 0.218 3.034 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.475 1.377 0.470 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.315 2.143 2.069 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.971 3.071 0.699 1.00 0.70 H new ATOM 230 N VAL A 15 6.419 4.487 5.155 1.00 0.50 N ATOM 231 CA VAL A 15 7.347 5.062 6.116 1.00 0.57 C ATOM 232 C VAL A 15 6.748 5.037 7.522 1.00 0.60 C ATOM 233 O VAL A 15 7.458 4.876 8.514 1.00 0.71 O ATOM 234 CB VAL A 15 7.706 6.512 5.732 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.769 7.076 6.662 1.00 0.70 C ATOM 236 CG2 VAL A 15 8.167 6.585 4.282 1.00 0.60 C ATOM 0 H VAL A 15 5.815 5.168 4.695 1.00 0.50 H new ATOM 0 HA VAL A 15 8.255 4.460 6.104 1.00 0.57 H new ATOM 0 HB VAL A 15 6.808 7.121 5.839 1.00 0.60 H new ATOM 0 HG11 VAL A 15 9.003 8.099 6.369 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.397 7.068 7.687 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.669 6.465 6.598 1.00 0.70 H new ATOM 0 HG21 VAL A 15 8.416 7.616 4.031 1.00 0.60 H new ATOM 0 HG22 VAL A 15 9.047 5.957 4.148 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.368 6.235 3.628 1.00 0.60 H new ATOM 246 N GLU A 16 5.430 5.185 7.590 1.00 0.59 N ATOM 247 CA GLU A 16 4.717 5.221 8.864 1.00 0.70 C ATOM 248 C GLU A 16 4.535 3.820 9.449 1.00 0.75 C ATOM 249 O GLU A 16 4.153 3.665 10.610 1.00 0.92 O ATOM 250 CB GLU A 16 3.361 5.910 8.689 1.00 0.86 C ATOM 251 CG GLU A 16 3.480 7.359 8.239 1.00 0.96 C ATOM 252 CD GLU A 16 2.138 8.025 8.019 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.490 7.749 6.987 1.00 1.28 O ATOM 254 OE2 GLU A 16 1.711 8.817 8.882 1.00 1.49 O ATOM 0 H GLU A 16 4.829 5.283 6.772 1.00 0.59 H new ATOM 0 HA GLU A 16 5.320 5.794 9.569 1.00 0.70 H new ATOM 0 HB2 GLU A 16 2.771 5.357 7.959 1.00 0.86 H new ATOM 0 HB3 GLU A 16 2.817 5.873 9.633 1.00 0.86 H new ATOM 0 HG2 GLU A 16 4.039 7.921 8.987 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.055 7.400 7.314 1.00 0.96 H new ATOM 261 N SER A 17 4.788 2.803 8.647 1.00 0.68 N ATOM 262 CA SER A 17 4.735 1.431 9.126 1.00 0.78 C ATOM 263 C SER A 17 6.062 1.027 9.764 1.00 0.80 C ATOM 264 O SER A 17 6.122 0.726 10.955 1.00 1.05 O ATOM 265 CB SER A 17 4.378 0.488 7.979 1.00 0.81 C ATOM 266 OG SER A 17 5.183 0.750 6.842 1.00 1.25 O ATOM 0 H SER A 17 5.032 2.899 7.661 1.00 0.68 H new ATOM 0 HA SER A 17 3.961 1.360 9.890 1.00 0.78 H new ATOM 0 HB2 SER A 17 4.515 -0.546 8.296 1.00 0.81 H new ATOM 0 HB3 SER A 17 3.326 0.605 7.720 1.00 0.81 H new ATOM 0 HG SER A 17 4.781 1.473 6.316 1.00 1.25 H new ATOM 272 N ALA A 18 7.123 1.035 8.965 1.00 0.74 N ATOM 273 CA ALA A 18 8.441 0.625 9.436 1.00 0.87 C ATOM 274 C ALA A 18 9.185 1.782 10.101 1.00 1.11 C ATOM 275 O ALA A 18 9.456 1.750 11.302 1.00 1.68 O ATOM 276 CB ALA A 18 9.258 0.061 8.282 1.00 1.09 C ATOM 0 H ALA A 18 7.096 1.321 7.986 1.00 0.74 H new ATOM 0 HA ALA A 18 8.301 -0.152 10.187 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.240 -0.242 8.645 1.00 1.09 H new ATOM 0 HB2 ALA A 18 8.744 -0.803 7.861 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.375 0.824 7.512 1.00 1.09 H new ATOM 363 N LEU A 26 10.457 6.520 -3.764 1.00 1.15 N ATOM 364 CA LEU A 26 9.016 6.393 -3.603 1.00 1.01 C ATOM 365 C LEU A 26 8.351 7.676 -4.072 1.00 1.04 C ATOM 366 O LEU A 26 7.148 7.873 -3.915 1.00 1.18 O ATOM 367 CB LEU A 26 8.663 6.139 -2.136 1.00 1.12 C ATOM 368 CG LEU A 26 9.230 4.852 -1.534 1.00 0.89 C ATOM 369 CD1 LEU A 26 8.896 4.767 -0.059 1.00 1.28 C ATOM 370 CD2 LEU A 26 8.685 3.632 -2.257 1.00 1.60 C ATOM 0 HA LEU A 26 8.662 5.550 -4.197 1.00 1.01 H new ATOM 0 HB2 LEU A 26 9.017 6.983 -1.544 1.00 1.12 H new ATOM 0 HB3 LEU A 26 7.577 6.116 -2.041 1.00 1.12 H new ATOM 0 HG LEU A 26 10.313 4.872 -1.653 1.00 0.89 H new ATOM 0 HD11 LEU A 26 9.306 3.846 0.354 1.00 1.28 H new ATOM 0 HD12 LEU A 26 9.327 5.622 0.462 1.00 1.28 H new ATOM 0 HD13 LEU A 26 7.814 4.772 0.070 1.00 1.28 H new ATOM 0 HD21 LEU A 26 9.102 2.729 -1.812 1.00 1.60 H new ATOM 0 HD22 LEU A 26 7.599 3.612 -2.169 1.00 1.60 H new ATOM 0 HD23 LEU A 26 8.963 3.679 -3.310 1.00 1.60 H new ATOM 382 N SER A 27 9.163 8.542 -4.655 1.00 1.09 N ATOM 383 CA SER A 27 8.743 9.882 -5.022 1.00 1.24 C ATOM 384 C SER A 27 8.370 9.996 -6.500 1.00 1.33 C ATOM 385 O SER A 27 8.316 11.100 -7.044 1.00 1.85 O ATOM 386 CB SER A 27 9.874 10.851 -4.686 1.00 1.39 C ATOM 387 OG SER A 27 11.140 10.225 -4.858 1.00 2.08 O ATOM 0 H SER A 27 10.134 8.334 -4.887 1.00 1.09 H new ATOM 0 HA SER A 27 7.844 10.127 -4.457 1.00 1.24 H new ATOM 0 HB2 SER A 27 9.808 11.731 -5.326 1.00 1.39 H new ATOM 0 HB3 SER A 27 9.770 11.196 -3.657 1.00 1.39 H new ATOM 0 HG SER A 27 11.852 10.862 -4.640 1.00 2.08 H new ATOM 393 N GLY A 28 8.109 8.871 -7.152 1.00 1.34 N ATOM 394 CA GLY A 28 7.708 8.928 -8.542 1.00 1.58 C ATOM 395 C GLY A 28 7.606 7.567 -9.200 1.00 1.41 C ATOM 396 O GLY A 28 8.482 6.723 -9.027 1.00 1.84 O ATOM 0 H GLY A 28 8.166 7.935 -6.751 1.00 1.34 H new ATOM 0 HA2 GLY A 28 6.743 9.430 -8.613 1.00 1.58 H new ATOM 0 HA3 GLY A 28 8.425 9.536 -9.094 1.00 1.58 H new ATOM 400 N ASP A 29 6.503 7.364 -9.928 1.00 1.35 N ATOM 401 CA ASP A 29 6.288 6.176 -10.768 1.00 1.28 C ATOM 402 C ASP A 29 6.429 4.864 -10.001 1.00 1.21 C ATOM 403 O ASP A 29 6.753 3.828 -10.581 1.00 1.84 O ATOM 404 CB ASP A 29 7.253 6.184 -11.960 1.00 1.54 C ATOM 405 CG ASP A 29 6.883 7.219 -13.001 1.00 2.18 C ATOM 406 OD1 ASP A 29 7.280 8.396 -12.856 1.00 2.64 O ATOM 407 OD2 ASP A 29 6.179 6.860 -13.968 1.00 2.77 O ATOM 0 H ASP A 29 5.726 8.024 -9.953 1.00 1.35 H new ATOM 0 HA ASP A 29 5.258 6.231 -11.120 1.00 1.28 H new ATOM 0 HB2 ASP A 29 8.264 6.379 -11.603 1.00 1.54 H new ATOM 0 HB3 ASP A 29 7.262 5.197 -12.422 1.00 1.54 H new ATOM 412 N PHE A 30 6.126 4.898 -8.713 1.00 0.72 N ATOM 413 CA PHE A 30 6.307 3.728 -7.862 1.00 0.64 C ATOM 414 C PHE A 30 5.111 2.779 -7.964 1.00 0.53 C ATOM 415 O PHE A 30 5.224 1.602 -7.641 1.00 0.50 O ATOM 416 CB PHE A 30 6.558 4.144 -6.400 1.00 0.64 C ATOM 417 CG PHE A 30 5.386 4.792 -5.715 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.023 6.100 -6.003 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.652 4.093 -4.770 1.00 0.70 C ATOM 420 CE1 PHE A 30 3.950 6.692 -5.366 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.579 4.681 -4.129 1.00 0.87 C ATOM 422 CZ PHE A 30 3.228 5.982 -4.428 1.00 0.92 C ATOM 0 H PHE A 30 5.755 5.718 -8.234 1.00 0.72 H new ATOM 0 HA PHE A 30 7.188 3.192 -8.216 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.850 3.261 -5.831 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.402 4.833 -6.374 1.00 0.64 H new ATOM 0 HD1 PHE A 30 5.586 6.662 -6.734 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.923 3.075 -4.532 1.00 0.70 H new ATOM 0 HE1 PHE A 30 3.676 7.710 -5.602 1.00 0.92 H new ATOM 0 HE2 PHE A 30 3.016 4.124 -3.395 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.389 6.444 -3.929 1.00 0.92 H new ATOM 432 N LEU A 31 3.966 3.297 -8.410 1.00 0.50 N ATOM 433 CA LEU A 31 2.763 2.476 -8.578 1.00 0.45 C ATOM 434 C LEU A 31 2.991 1.306 -9.539 1.00 0.41 C ATOM 435 O LEU A 31 2.333 0.272 -9.429 1.00 0.43 O ATOM 436 CB LEU A 31 1.574 3.313 -9.066 1.00 0.52 C ATOM 437 CG LEU A 31 1.160 4.466 -8.149 1.00 0.54 C ATOM 438 CD1 LEU A 31 -0.134 5.088 -8.645 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.997 3.987 -6.715 1.00 0.43 C ATOM 0 H LEU A 31 3.845 4.278 -8.661 1.00 0.50 H new ATOM 0 HA LEU A 31 2.533 2.071 -7.593 1.00 0.45 H new ATOM 0 HB2 LEU A 31 1.818 3.721 -10.047 1.00 0.52 H new ATOM 0 HB3 LEU A 31 0.717 2.652 -9.200 1.00 0.52 H new ATOM 0 HG LEU A 31 1.947 5.220 -8.169 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.420 5.907 -7.986 1.00 0.78 H new ATOM 0 HD12 LEU A 31 0.010 5.469 -9.656 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.922 4.334 -8.650 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.703 4.825 -6.083 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.229 3.214 -6.675 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.942 3.578 -6.358 1.00 0.43 H new ATOM 451 N ASP A 32 3.913 1.480 -10.478 1.00 0.41 N ATOM 452 CA ASP A 32 4.174 0.469 -11.505 1.00 0.43 C ATOM 453 C ASP A 32 5.306 -0.460 -11.075 1.00 0.42 C ATOM 454 O ASP A 32 5.452 -1.571 -11.590 1.00 0.51 O ATOM 455 CB ASP A 32 4.514 1.153 -12.835 1.00 0.56 C ATOM 456 CG ASP A 32 4.956 0.187 -13.920 1.00 1.39 C ATOM 457 OD1 ASP A 32 4.085 -0.424 -14.572 1.00 1.73 O ATOM 458 OD2 ASP A 32 6.177 0.063 -14.147 1.00 2.29 O ATOM 0 H ASP A 32 4.496 2.313 -10.553 1.00 0.41 H new ATOM 0 HA ASP A 32 3.276 -0.134 -11.637 1.00 0.43 H new ATOM 0 HB2 ASP A 32 3.641 1.704 -13.184 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.305 1.884 -12.666 1.00 0.56 H new ATOM 463 N LEU A 33 6.089 -0.009 -10.113 1.00 0.43 N ATOM 464 CA LEU A 33 7.192 -0.798 -9.599 1.00 0.48 C ATOM 465 C LEU A 33 6.693 -1.743 -8.516 1.00 0.42 C ATOM 466 O LEU A 33 5.956 -1.335 -7.624 1.00 0.46 O ATOM 467 CB LEU A 33 8.284 0.117 -9.041 1.00 0.56 C ATOM 468 CG LEU A 33 8.860 1.129 -10.034 1.00 0.68 C ATOM 469 CD1 LEU A 33 9.860 2.039 -9.345 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.509 0.406 -11.203 1.00 1.01 C ATOM 0 H LEU A 33 5.981 0.904 -9.670 1.00 0.43 H new ATOM 0 HA LEU A 33 7.615 -1.386 -10.414 1.00 0.48 H new ATOM 0 HB2 LEU A 33 7.878 0.661 -8.188 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.098 -0.503 -8.666 1.00 0.56 H new ATOM 0 HG LEU A 33 8.046 1.745 -10.417 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.260 2.752 -10.066 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.365 2.578 -8.537 1.00 1.23 H new ATOM 0 HD13 LEU A 33 10.675 1.441 -8.936 1.00 1.23 H new ATOM 0 HD21 LEU A 33 9.915 1.137 -11.903 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.314 -0.231 -10.836 1.00 1.01 H new ATOM 0 HD23 LEU A 33 8.764 -0.207 -11.710 1.00 1.01 H new ATOM 482 N ARG A 34 7.082 -3.006 -8.600 1.00 0.40 N ATOM 483 CA ARG A 34 6.662 -3.992 -7.614 1.00 0.39 C ATOM 484 C ARG A 34 7.321 -3.703 -6.271 1.00 0.36 C ATOM 485 O ARG A 34 8.389 -3.090 -6.219 1.00 0.42 O ATOM 486 CB ARG A 34 7.028 -5.409 -8.065 1.00 0.50 C ATOM 487 CG ARG A 34 6.467 -5.796 -9.423 1.00 0.66 C ATOM 488 CD ARG A 34 6.737 -7.261 -9.724 1.00 0.80 C ATOM 489 NE ARG A 34 6.440 -7.610 -11.111 1.00 1.41 N ATOM 490 CZ ARG A 34 6.112 -8.835 -11.518 1.00 1.84 C ATOM 491 NH1 ARG A 34 5.840 -9.789 -10.636 1.00 1.72 N ATOM 492 NH2 ARG A 34 5.994 -9.089 -12.811 1.00 2.88 N ATOM 0 H ARG A 34 7.685 -3.372 -9.337 1.00 0.40 H new ATOM 0 HA ARG A 34 5.579 -3.926 -7.512 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.114 -5.500 -8.094 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.669 -6.119 -7.320 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.394 -5.608 -9.444 1.00 0.66 H new ATOM 0 HG3 ARG A 34 6.915 -5.173 -10.197 1.00 0.66 H new ATOM 0 HD2 ARG A 34 7.782 -7.486 -9.512 1.00 0.80 H new ATOM 0 HD3 ARG A 34 6.136 -7.882 -9.060 1.00 0.80 H new ATOM 0 HE ARG A 34 6.487 -6.870 -11.811 1.00 1.41 H new ATOM 0 HH11 ARG A 34 5.881 -9.587 -9.637 1.00 1.72 H new ATOM 0 HH12 ARG A 34 5.590 -10.724 -10.957 1.00 1.72 H new ATOM 0 HH21 ARG A 34 6.154 -8.348 -13.493 1.00 2.88 H new ATOM 0 HH22 ARG A 34 5.743 -10.026 -13.126 1.00 2.88 H new ATOM 506 N PHE A 35 6.681 -4.139 -5.190 1.00 0.36 N ATOM 507 CA PHE A 35 7.243 -3.993 -3.843 1.00 0.39 C ATOM 508 C PHE A 35 8.656 -4.585 -3.773 1.00 0.46 C ATOM 509 O PHE A 35 9.482 -4.172 -2.956 1.00 0.49 O ATOM 510 CB PHE A 35 6.329 -4.659 -2.806 1.00 0.45 C ATOM 511 CG PHE A 35 4.910 -4.169 -2.862 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.600 -2.868 -2.505 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.887 -5.010 -3.272 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.296 -2.412 -2.552 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.581 -4.563 -3.321 1.00 0.59 C ATOM 516 CZ PHE A 35 2.283 -3.265 -2.968 1.00 0.59 C ATOM 0 H PHE A 35 5.770 -4.598 -5.217 1.00 0.36 H new ATOM 0 HA PHE A 35 7.309 -2.929 -3.615 1.00 0.39 H new ATOM 0 HB2 PHE A 35 6.340 -5.738 -2.962 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.730 -4.477 -1.809 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.387 -2.201 -2.186 1.00 0.49 H new ATOM 0 HD2 PHE A 35 4.114 -6.027 -3.556 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.066 -1.396 -2.266 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.793 -5.231 -3.636 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.263 -2.912 -3.015 1.00 0.59 H new ATOM 526 N GLU A 36 8.912 -5.549 -4.650 1.00 0.59 N ATOM 527 CA GLU A 36 10.223 -6.171 -4.787 1.00 0.76 C ATOM 528 C GLU A 36 11.311 -5.146 -5.126 1.00 0.71 C ATOM 529 O GLU A 36 12.435 -5.239 -4.636 1.00 0.80 O ATOM 530 CB GLU A 36 10.160 -7.229 -5.887 1.00 1.00 C ATOM 531 CG GLU A 36 9.262 -8.408 -5.559 1.00 1.26 C ATOM 532 CD GLU A 36 9.902 -9.344 -4.562 1.00 1.89 C ATOM 533 OE1 GLU A 36 10.763 -10.153 -4.955 1.00 2.60 O ATOM 534 OE2 GLU A 36 9.535 -9.276 -3.371 1.00 2.28 O ATOM 0 H GLU A 36 8.211 -5.923 -5.290 1.00 0.59 H new ATOM 0 HA GLU A 36 10.483 -6.625 -3.831 1.00 0.76 H new ATOM 0 HB2 GLU A 36 9.807 -6.762 -6.807 1.00 1.00 H new ATOM 0 HB3 GLU A 36 11.168 -7.596 -6.082 1.00 1.00 H new ATOM 0 HG2 GLU A 36 8.316 -8.043 -5.159 1.00 1.26 H new ATOM 0 HG3 GLU A 36 9.032 -8.954 -6.474 1.00 1.26 H new ATOM 541 N ASP A 37 10.963 -4.154 -5.940 1.00 0.65 N ATOM 542 CA ASP A 37 11.948 -3.199 -6.454 1.00 0.74 C ATOM 543 C ASP A 37 12.173 -2.059 -5.468 1.00 0.66 C ATOM 544 O ASP A 37 13.255 -1.473 -5.415 1.00 0.75 O ATOM 545 CB ASP A 37 11.499 -2.639 -7.811 1.00 0.86 C ATOM 546 CG ASP A 37 12.497 -1.650 -8.394 1.00 1.28 C ATOM 547 OD1 ASP A 37 13.612 -2.071 -8.776 1.00 1.38 O ATOM 548 OD2 ASP A 37 12.167 -0.451 -8.495 1.00 2.03 O ATOM 0 H ASP A 37 10.009 -3.988 -6.259 1.00 0.65 H new ATOM 0 HA ASP A 37 12.890 -3.731 -6.585 1.00 0.74 H new ATOM 0 HB2 ASP A 37 11.358 -3.462 -8.511 1.00 0.86 H new ATOM 0 HB3 ASP A 37 10.532 -2.149 -7.696 1.00 0.86 H new ATOM 553 N ILE A 38 11.160 -1.764 -4.666 1.00 0.54 N ATOM 554 CA ILE A 38 11.269 -0.698 -3.678 1.00 0.54 C ATOM 555 C ILE A 38 11.789 -1.226 -2.339 1.00 0.50 C ATOM 556 O ILE A 38 11.768 -0.515 -1.332 1.00 0.55 O ATOM 557 CB ILE A 38 9.930 0.043 -3.468 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.807 -0.946 -3.144 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.586 0.859 -4.707 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.468 -0.286 -2.876 1.00 0.57 C ATOM 0 H ILE A 38 10.260 -2.243 -4.678 1.00 0.54 H new ATOM 0 HA ILE A 38 11.989 0.016 -4.077 1.00 0.54 H new ATOM 0 HB ILE A 38 10.036 0.720 -2.621 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.698 -1.643 -3.975 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.093 -1.533 -2.271 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.640 1.378 -4.550 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.374 1.589 -4.892 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.497 0.195 -5.567 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.723 -1.051 -2.654 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.559 0.389 -2.025 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.158 0.278 -3.756 1.00 0.57 H new ATOM 572 N GLY A 39 12.266 -2.470 -2.347 1.00 0.53 N ATOM 573 CA GLY A 39 12.932 -3.037 -1.186 1.00 0.58 C ATOM 574 C GLY A 39 12.020 -3.225 0.013 1.00 0.51 C ATOM 575 O GLY A 39 12.362 -2.819 1.122 1.00 0.62 O ATOM 0 H GLY A 39 12.201 -3.100 -3.146 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.360 -4.001 -1.460 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.761 -2.389 -0.902 1.00 0.58 H new ATOM 579 N TYR A 40 10.866 -3.839 -0.193 1.00 0.47 N ATOM 580 CA TYR A 40 9.965 -4.123 0.915 1.00 0.47 C ATOM 581 C TYR A 40 9.675 -5.613 1.042 1.00 0.55 C ATOM 582 O TYR A 40 9.227 -6.256 0.091 1.00 0.71 O ATOM 583 CB TYR A 40 8.663 -3.330 0.784 1.00 0.47 C ATOM 584 CG TYR A 40 8.794 -1.909 1.279 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.563 -1.592 2.608 1.00 0.49 C ATOM 586 CD2 TYR A 40 9.134 -0.881 0.408 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.671 -0.291 3.063 1.00 0.53 C ATOM 588 CE2 TYR A 40 9.243 0.423 0.852 1.00 0.52 C ATOM 589 CZ TYR A 40 9.060 0.703 2.200 1.00 0.53 C ATOM 590 OH TYR A 40 9.110 2.014 2.625 1.00 0.61 O ATOM 0 H TYR A 40 10.533 -4.148 -1.106 1.00 0.47 H new ATOM 0 HA TYR A 40 10.470 -3.806 1.827 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.352 -3.319 -0.261 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.877 -3.835 1.345 1.00 0.47 H new ATOM 0 HD1 TYR A 40 8.294 -2.375 3.301 1.00 0.49 H new ATOM 0 HD2 TYR A 40 9.316 -1.105 -0.633 1.00 0.48 H new ATOM 0 HE1 TYR A 40 8.450 -0.058 4.094 1.00 0.53 H new ATOM 0 HE2 TYR A 40 9.469 1.218 0.157 1.00 0.52 H new ATOM 0 HH TYR A 40 9.714 2.523 2.045 1.00 0.61 H new ATOM 600 N ASP A 41 9.959 -6.149 2.227 1.00 0.58 N ATOM 601 CA ASP A 41 9.697 -7.554 2.532 1.00 0.71 C ATOM 602 C ASP A 41 8.239 -7.783 2.887 1.00 0.66 C ATOM 603 O ASP A 41 7.505 -6.841 3.196 1.00 0.93 O ATOM 604 CB ASP A 41 10.577 -8.035 3.690 1.00 0.89 C ATOM 605 CG ASP A 41 11.980 -8.402 3.256 1.00 1.40 C ATOM 606 OD1 ASP A 41 12.187 -9.541 2.794 1.00 1.82 O ATOM 607 OD2 ASP A 41 12.881 -7.542 3.358 1.00 1.93 O ATOM 0 H ASP A 41 10.374 -5.626 2.998 1.00 0.58 H new ATOM 0 HA ASP A 41 9.935 -8.125 1.634 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.630 -7.253 4.447 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.110 -8.901 4.158 1.00 0.89 H new ATOM 612 N SER A 42 7.846 -9.051 2.854 1.00 0.63 N ATOM 613 CA SER A 42 6.478 -9.473 3.151 1.00 0.63 C ATOM 614 C SER A 42 5.980 -8.922 4.489 1.00 0.54 C ATOM 615 O SER A 42 4.903 -8.325 4.570 1.00 0.50 O ATOM 616 CB SER A 42 6.417 -11.002 3.164 1.00 0.77 C ATOM 617 OG SER A 42 7.346 -11.533 4.162 1.00 0.91 O ATOM 0 H SER A 42 8.471 -9.822 2.619 1.00 0.63 H new ATOM 0 HA SER A 42 5.826 -9.073 2.374 1.00 0.63 H new ATOM 0 HB2 SER A 42 5.402 -11.331 3.388 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.668 -11.392 2.178 1.00 0.77 H new ATOM 0 HG SER A 42 7.299 -12.512 4.165 1.00 0.91 H new ATOM 622 N LEU A 43 6.777 -9.132 5.529 1.00 0.57 N ATOM 623 CA LEU A 43 6.425 -8.711 6.884 1.00 0.57 C ATOM 624 C LEU A 43 6.165 -7.211 6.948 1.00 0.48 C ATOM 625 O LEU A 43 5.130 -6.774 7.447 1.00 0.49 O ATOM 626 CB LEU A 43 7.544 -9.095 7.854 1.00 0.68 C ATOM 627 CG LEU A 43 7.209 -8.920 9.336 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.049 -9.819 9.727 1.00 0.90 C ATOM 629 CD2 LEU A 43 8.429 -9.219 10.189 1.00 1.32 C ATOM 0 H LEU A 43 7.682 -9.597 5.460 1.00 0.57 H new ATOM 0 HA LEU A 43 5.506 -9.222 7.172 1.00 0.57 H new ATOM 0 HB2 LEU A 43 7.813 -10.137 7.679 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.425 -8.495 7.624 1.00 0.68 H new ATOM 0 HG LEU A 43 6.913 -7.885 9.508 1.00 0.78 H new ATOM 0 HD11 LEU A 43 5.823 -9.682 10.785 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.172 -9.561 9.133 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.318 -10.860 9.545 1.00 0.90 H new ATOM 0 HD21 LEU A 43 8.177 -9.091 11.242 1.00 1.32 H new ATOM 0 HD22 LEU A 43 8.752 -10.246 10.015 1.00 1.32 H new ATOM 0 HD23 LEU A 43 9.235 -8.536 9.923 1.00 1.32 H new ATOM 641 N ALA A 44 7.096 -6.427 6.419 1.00 0.44 N ATOM 642 CA ALA A 44 6.965 -4.975 6.432 1.00 0.41 C ATOM 643 C ALA A 44 5.761 -4.543 5.606 1.00 0.34 C ATOM 644 O ALA A 44 5.082 -3.568 5.930 1.00 0.36 O ATOM 645 CB ALA A 44 8.238 -4.320 5.909 1.00 0.47 C ATOM 0 H ALA A 44 7.948 -6.771 5.976 1.00 0.44 H new ATOM 0 HA ALA A 44 6.810 -4.650 7.461 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.123 -3.236 5.926 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.080 -4.605 6.540 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.423 -4.650 4.887 1.00 0.47 H new ATOM 651 N LEU A 45 5.496 -5.287 4.539 1.00 0.35 N ATOM 652 CA LEU A 45 4.364 -5.007 3.671 1.00 0.35 C ATOM 653 C LEU A 45 3.044 -5.177 4.428 1.00 0.34 C ATOM 654 O LEU A 45 2.182 -4.297 4.390 1.00 0.36 O ATOM 655 CB LEU A 45 4.393 -5.931 2.447 1.00 0.43 C ATOM 656 CG LEU A 45 3.291 -5.688 1.412 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.473 -4.334 0.754 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.287 -6.794 0.366 1.00 0.74 C ATOM 0 H LEU A 45 6.054 -6.092 4.255 1.00 0.35 H new ATOM 0 HA LEU A 45 4.438 -3.972 3.336 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.360 -5.823 1.955 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.323 -6.963 2.791 1.00 0.43 H new ATOM 0 HG LEU A 45 2.329 -5.697 1.924 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.682 -4.176 0.021 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.427 -3.552 1.512 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.442 -4.299 0.256 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.497 -6.604 -0.361 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.251 -6.817 -0.143 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.110 -7.754 0.852 1.00 0.74 H new ATOM 670 N MET A 46 2.901 -6.298 5.133 1.00 0.36 N ATOM 671 CA MET A 46 1.658 -6.597 5.846 1.00 0.40 C ATOM 672 C MET A 46 1.428 -5.608 6.990 1.00 0.37 C ATOM 673 O MET A 46 0.288 -5.274 7.312 1.00 0.41 O ATOM 674 CB MET A 46 1.649 -8.040 6.379 1.00 0.49 C ATOM 675 CG MET A 46 2.558 -8.277 7.575 1.00 0.52 C ATOM 676 SD MET A 46 2.428 -9.951 8.236 1.00 1.21 S ATOM 677 CE MET A 46 0.677 -10.042 8.615 1.00 1.26 C ATOM 0 H MET A 46 3.625 -7.011 5.226 1.00 0.36 H new ATOM 0 HA MET A 46 0.842 -6.494 5.131 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.629 -8.305 6.656 1.00 0.49 H new ATOM 0 HB3 MET A 46 1.946 -8.713 5.574 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.591 -8.086 7.283 1.00 0.52 H new ATOM 0 HG3 MET A 46 2.311 -7.562 8.360 1.00 0.52 H new ATOM 0 HE1 MET A 46 0.508 -10.805 9.375 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.335 -9.077 8.988 1.00 1.26 H new ATOM 0 HE3 MET A 46 0.122 -10.299 7.713 1.00 1.26 H new ATOM 687 N GLU A 47 2.509 -5.140 7.601 1.00 0.37 N ATOM 688 CA GLU A 47 2.410 -4.136 8.655 1.00 0.42 C ATOM 689 C GLU A 47 1.901 -2.815 8.087 1.00 0.41 C ATOM 690 O GLU A 47 1.100 -2.120 8.716 1.00 0.47 O ATOM 691 CB GLU A 47 3.760 -3.936 9.342 1.00 0.48 C ATOM 692 CG GLU A 47 4.249 -5.169 10.077 1.00 0.62 C ATOM 693 CD GLU A 47 5.542 -4.930 10.821 1.00 1.21 C ATOM 694 OE1 GLU A 47 6.613 -4.934 10.182 1.00 2.20 O ATOM 695 OE2 GLU A 47 5.493 -4.753 12.059 1.00 1.18 O ATOM 0 H GLU A 47 3.461 -5.437 7.387 1.00 0.37 H new ATOM 0 HA GLU A 47 1.698 -4.492 9.399 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.501 -3.649 8.595 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.682 -3.109 10.047 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.484 -5.494 10.782 1.00 0.62 H new ATOM 0 HG3 GLU A 47 4.390 -5.980 9.363 1.00 0.62 H new ATOM 702 N THR A 48 2.368 -2.481 6.893 1.00 0.37 N ATOM 703 CA THR A 48 1.931 -1.277 6.204 1.00 0.42 C ATOM 704 C THR A 48 0.432 -1.332 5.898 1.00 0.40 C ATOM 705 O THR A 48 -0.255 -0.312 5.910 1.00 0.43 O ATOM 706 CB THR A 48 2.726 -1.074 4.903 1.00 0.45 C ATOM 707 OG1 THR A 48 4.134 -1.150 5.178 1.00 0.47 O ATOM 708 CG2 THR A 48 2.412 0.275 4.282 1.00 0.54 C ATOM 0 H THR A 48 3.055 -3.032 6.378 1.00 0.37 H new ATOM 0 HA THR A 48 2.118 -0.431 6.865 1.00 0.42 H new ATOM 0 HB THR A 48 2.440 -1.859 4.203 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.417 -0.345 5.660 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.986 0.395 3.363 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.348 0.332 4.055 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.676 1.068 4.982 1.00 0.54 H new ATOM 716 N ALA A 49 -0.067 -2.538 5.642 1.00 0.40 N ATOM 717 CA ALA A 49 -1.487 -2.750 5.378 1.00 0.39 C ATOM 718 C ALA A 49 -2.349 -2.241 6.532 1.00 0.34 C ATOM 719 O ALA A 49 -3.332 -1.526 6.316 1.00 0.33 O ATOM 720 CB ALA A 49 -1.763 -4.225 5.128 1.00 0.46 C ATOM 0 H ALA A 49 0.495 -3.388 5.612 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.750 -2.182 4.485 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.826 -4.368 4.933 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.187 -4.562 4.266 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.474 -4.803 6.006 1.00 0.46 H new ATOM 726 N ALA A 50 -1.944 -2.583 7.755 1.00 0.37 N ATOM 727 CA ALA A 50 -2.710 -2.246 8.953 1.00 0.40 C ATOM 728 C ALA A 50 -2.854 -0.738 9.104 1.00 0.39 C ATOM 729 O ALA A 50 -3.841 -0.246 9.654 1.00 0.44 O ATOM 730 CB ALA A 50 -2.055 -2.845 10.189 1.00 0.49 C ATOM 0 H ALA A 50 -1.083 -3.097 7.942 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.708 -2.671 8.847 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.638 -2.584 11.072 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -2.013 -3.930 10.089 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -1.044 -2.451 10.292 1.00 0.49 H new ATOM 736 N ARG A 51 -1.860 -0.015 8.603 1.00 0.37 N ATOM 737 CA ARG A 51 -1.869 1.439 8.641 1.00 0.44 C ATOM 738 C ARG A 51 -3.054 1.983 7.854 1.00 0.40 C ATOM 739 O ARG A 51 -3.839 2.786 8.359 1.00 0.52 O ATOM 740 CB ARG A 51 -0.566 1.985 8.055 1.00 0.52 C ATOM 741 CG ARG A 51 0.671 1.666 8.875 1.00 0.68 C ATOM 742 CD ARG A 51 0.548 2.187 10.297 1.00 0.95 C ATOM 743 NE ARG A 51 1.813 2.096 11.021 1.00 1.47 N ATOM 744 CZ ARG A 51 1.982 1.425 12.155 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.976 0.755 12.697 1.00 1.94 N ATOM 746 NH2 ARG A 51 3.166 1.424 12.745 1.00 2.86 N ATOM 0 H ARG A 51 -1.032 -0.417 8.163 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.959 1.759 9.679 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.436 1.581 7.051 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.652 3.067 7.955 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.828 0.587 8.894 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.547 2.107 8.400 1.00 0.68 H new ATOM 0 HD2 ARG A 51 0.215 3.225 10.276 1.00 0.95 H new ATOM 0 HD3 ARG A 51 -0.216 1.618 10.827 1.00 0.95 H new ATOM 0 HE ARG A 51 2.621 2.580 10.630 1.00 1.47 H new ATOM 0 HH11 ARG A 51 0.062 0.751 12.243 1.00 1.94 H new ATOM 0 HH12 ARG A 51 1.115 0.243 13.568 1.00 1.94 H new ATOM 0 HH21 ARG A 51 3.943 1.937 12.329 1.00 2.86 H new ATOM 0 HH22 ARG A 51 3.301 0.911 13.616 1.00 2.86 H new ATOM 760 N LEU A 52 -3.189 1.514 6.624 1.00 0.32 N ATOM 761 CA LEU A 52 -4.239 1.982 5.734 1.00 0.31 C ATOM 762 C LEU A 52 -5.606 1.483 6.186 1.00 0.27 C ATOM 763 O LEU A 52 -6.601 2.204 6.085 1.00 0.30 O ATOM 764 CB LEU A 52 -3.954 1.525 4.303 1.00 0.35 C ATOM 765 CG LEU A 52 -2.712 2.143 3.663 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.452 1.510 2.307 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.872 3.655 3.536 1.00 0.56 C ATOM 0 H LEU A 52 -2.580 0.804 6.217 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.252 3.071 5.765 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -3.845 0.440 4.299 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.819 1.761 3.683 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.853 1.948 4.304 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.565 1.958 1.860 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.295 0.438 2.430 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.310 1.678 1.656 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.978 4.078 3.078 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.739 3.878 2.914 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -3.014 4.090 4.525 1.00 0.56 H new ATOM 779 N GLU A 53 -5.645 0.253 6.694 1.00 0.25 N ATOM 780 CA GLU A 53 -6.889 -0.334 7.184 1.00 0.26 C ATOM 781 C GLU A 53 -7.506 0.529 8.278 1.00 0.30 C ATOM 782 O GLU A 53 -8.630 1.012 8.141 1.00 0.36 O ATOM 783 CB GLU A 53 -6.658 -1.746 7.730 1.00 0.27 C ATOM 784 CG GLU A 53 -6.358 -2.780 6.662 1.00 0.32 C ATOM 785 CD GLU A 53 -6.181 -4.171 7.237 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.104 -4.451 7.810 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.108 -4.994 7.121 1.00 0.48 O ATOM 0 H GLU A 53 -4.830 -0.355 6.777 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.574 -0.387 6.338 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.830 -1.719 8.438 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.542 -2.059 8.285 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.169 -2.792 5.934 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.453 -2.493 6.127 1.00 0.32 H new ATOM 794 N SER A 54 -6.751 0.740 9.348 1.00 0.36 N ATOM 795 CA SER A 54 -7.238 1.480 10.501 1.00 0.46 C ATOM 796 C SER A 54 -7.519 2.941 10.152 1.00 0.43 C ATOM 797 O SER A 54 -8.472 3.536 10.662 1.00 0.53 O ATOM 798 CB SER A 54 -6.226 1.394 11.649 1.00 0.59 C ATOM 799 OG SER A 54 -6.695 2.065 12.804 1.00 1.42 O ATOM 0 H SER A 54 -5.792 0.406 9.440 1.00 0.36 H new ATOM 0 HA SER A 54 -8.178 1.027 10.817 1.00 0.46 H new ATOM 0 HB2 SER A 54 -6.033 0.348 11.888 1.00 0.59 H new ATOM 0 HB3 SER A 54 -5.278 1.830 11.333 1.00 0.59 H new ATOM 0 HG SER A 54 -6.028 1.991 13.519 1.00 1.42 H new ATOM 805 N ARG A 55 -6.706 3.508 9.264 1.00 0.37 N ATOM 806 CA ARG A 55 -6.795 4.932 8.958 1.00 0.40 C ATOM 807 C ARG A 55 -8.062 5.274 8.170 1.00 0.40 C ATOM 808 O ARG A 55 -8.740 6.253 8.477 1.00 0.47 O ATOM 809 CB ARG A 55 -5.556 5.404 8.185 1.00 0.47 C ATOM 810 CG ARG A 55 -5.535 6.901 7.917 1.00 0.66 C ATOM 811 CD ARG A 55 -4.214 7.342 7.310 1.00 0.87 C ATOM 812 NE ARG A 55 -4.256 8.734 6.860 1.00 1.14 N ATOM 813 CZ ARG A 55 -3.491 9.221 5.881 1.00 1.64 C ATOM 814 NH1 ARG A 55 -2.503 8.494 5.374 1.00 1.89 N ATOM 815 NH2 ARG A 55 -3.677 10.460 5.441 1.00 2.42 N ATOM 0 H ARG A 55 -5.983 3.007 8.747 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.843 5.457 9.912 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.663 5.132 8.747 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.508 4.873 7.234 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.351 7.162 7.243 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -5.706 7.440 8.849 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -3.419 7.223 8.046 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -3.968 6.696 6.467 1.00 0.87 H new ATOM 0 HE ARG A 55 -4.908 9.369 7.321 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -2.324 7.556 5.733 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -1.923 8.873 4.626 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -4.407 11.043 5.852 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -3.090 10.829 4.693 1.00 2.42 H new ATOM 829 N TYR A 56 -8.375 4.479 7.155 1.00 0.38 N ATOM 830 CA TYR A 56 -9.508 4.777 6.284 1.00 0.46 C ATOM 831 C TYR A 56 -10.685 3.844 6.538 1.00 0.51 C ATOM 832 O TYR A 56 -11.636 3.802 5.757 1.00 0.71 O ATOM 833 CB TYR A 56 -9.061 4.738 4.821 1.00 0.52 C ATOM 834 CG TYR A 56 -8.190 5.921 4.472 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.741 7.190 4.395 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.821 5.782 4.269 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.963 8.292 4.110 1.00 0.85 C ATOM 838 CE2 TYR A 56 -6.028 6.883 3.993 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.610 8.139 3.915 1.00 0.91 C ATOM 840 OH TYR A 56 -5.840 9.256 3.666 1.00 1.08 O ATOM 0 H TYR A 56 -7.866 3.629 6.914 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.861 5.782 6.514 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.514 3.815 4.632 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -9.937 4.727 4.173 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.800 7.318 4.561 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.371 4.802 4.327 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -8.414 9.271 4.040 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.966 6.764 3.840 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.503 9.223 2.746 1.00 1.08 H new ATOM 850 N GLY A 57 -10.623 3.115 7.645 1.00 0.41 N ATOM 851 CA GLY A 57 -11.729 2.262 8.043 1.00 0.46 C ATOM 852 C GLY A 57 -11.988 1.143 7.060 1.00 0.43 C ATOM 853 O GLY A 57 -13.139 0.810 6.764 1.00 0.58 O ATOM 0 H GLY A 57 -9.823 3.099 8.278 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.519 1.836 9.024 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.630 2.867 8.144 1.00 0.46 H new ATOM 857 N VAL A 58 -10.916 0.566 6.551 1.00 0.32 N ATOM 858 CA VAL A 58 -11.015 -0.520 5.596 1.00 0.33 C ATOM 859 C VAL A 58 -10.412 -1.788 6.180 1.00 0.33 C ATOM 860 O VAL A 58 -10.024 -1.819 7.348 1.00 0.34 O ATOM 861 CB VAL A 58 -10.307 -0.192 4.261 1.00 0.35 C ATOM 862 CG1 VAL A 58 -10.895 1.055 3.624 1.00 0.45 C ATOM 863 CG2 VAL A 58 -8.806 -0.027 4.460 1.00 0.30 C ATOM 0 H VAL A 58 -9.960 0.834 6.785 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.075 -0.666 5.390 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.472 -1.033 3.587 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.379 1.263 2.687 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -11.955 0.897 3.427 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.773 1.901 4.300 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.335 0.203 3.504 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.619 0.786 5.161 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.388 -0.952 4.857 1.00 0.30 H new ATOM 873 N SER A 59 -10.332 -2.824 5.367 1.00 0.39 N ATOM 874 CA SER A 59 -9.662 -4.045 5.755 1.00 0.49 C ATOM 875 C SER A 59 -9.199 -4.777 4.506 1.00 0.48 C ATOM 876 O SER A 59 -9.970 -4.951 3.562 1.00 0.51 O ATOM 877 CB SER A 59 -10.589 -4.935 6.588 1.00 0.65 C ATOM 878 OG SER A 59 -9.852 -5.928 7.285 1.00 1.62 O ATOM 0 H SER A 59 -10.727 -2.841 4.427 1.00 0.39 H new ATOM 0 HA SER A 59 -8.798 -3.798 6.372 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.144 -4.323 7.299 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.322 -5.411 5.937 1.00 0.65 H new ATOM 0 HG SER A 59 -8.901 -5.693 7.279 1.00 1.62 H new ATOM 884 N ILE A 60 -7.942 -5.185 4.491 1.00 0.46 N ATOM 885 CA ILE A 60 -7.369 -5.825 3.318 1.00 0.46 C ATOM 886 C ILE A 60 -7.483 -7.341 3.433 1.00 0.54 C ATOM 887 O ILE A 60 -6.869 -7.955 4.304 1.00 0.60 O ATOM 888 CB ILE A 60 -5.891 -5.422 3.116 1.00 0.44 C ATOM 889 CG1 ILE A 60 -5.781 -3.898 2.983 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.308 -6.115 1.887 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.371 -3.402 2.773 1.00 0.45 C ATOM 0 H ILE A 60 -7.299 -5.085 5.276 1.00 0.46 H new ATOM 0 HA ILE A 60 -7.933 -5.486 2.449 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.316 -5.741 3.986 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.399 -3.571 2.147 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.189 -3.434 3.881 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.267 -5.818 1.762 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.364 -7.196 2.018 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -5.876 -5.826 1.003 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.376 -2.315 2.688 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -3.752 -3.697 3.620 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -3.965 -3.835 1.859 1.00 0.45 H new ATOM 903 N PRO A 61 -8.294 -7.956 2.559 1.00 0.59 N ATOM 904 CA PRO A 61 -8.550 -9.396 2.588 1.00 0.69 C ATOM 905 C PRO A 61 -7.289 -10.225 2.358 1.00 0.62 C ATOM 906 O PRO A 61 -6.538 -9.988 1.408 1.00 0.57 O ATOM 907 CB PRO A 61 -9.541 -9.615 1.440 1.00 0.81 C ATOM 908 CG PRO A 61 -10.118 -8.270 1.159 1.00 0.79 C ATOM 909 CD PRO A 61 -9.030 -7.291 1.473 1.00 0.62 C ATOM 0 HA PRO A 61 -8.925 -9.712 3.561 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.041 -10.020 0.560 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.318 -10.326 1.721 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.431 -8.188 0.118 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.000 -8.086 1.773 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.393 -7.104 0.609 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.432 -6.328 1.788 1.00 0.62 H new ATOM 917 N ASP A 62 -7.094 -11.211 3.226 1.00 0.76 N ATOM 918 CA ASP A 62 -5.952 -12.124 3.166 1.00 0.82 C ATOM 919 C ASP A 62 -5.863 -12.813 1.803 1.00 0.67 C ATOM 920 O ASP A 62 -4.773 -13.118 1.316 1.00 0.77 O ATOM 921 CB ASP A 62 -6.111 -13.168 4.276 1.00 1.11 C ATOM 922 CG ASP A 62 -5.036 -14.235 4.280 1.00 1.39 C ATOM 923 OD1 ASP A 62 -5.117 -15.166 3.456 1.00 1.99 O ATOM 924 OD2 ASP A 62 -4.086 -14.124 5.082 1.00 1.96 O ATOM 0 H ASP A 62 -7.729 -11.403 4.000 1.00 0.76 H new ATOM 0 HA ASP A 62 -5.031 -11.558 3.306 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -6.108 -12.660 5.241 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -7.084 -13.648 4.172 1.00 1.11 H new ATOM 929 N ASP A 63 -7.017 -13.009 1.175 1.00 0.66 N ATOM 930 CA ASP A 63 -7.092 -13.719 -0.099 1.00 0.71 C ATOM 931 C ASP A 63 -6.598 -12.848 -1.252 1.00 0.58 C ATOM 932 O ASP A 63 -5.750 -13.266 -2.041 1.00 0.62 O ATOM 933 CB ASP A 63 -8.537 -14.150 -0.387 1.00 0.96 C ATOM 934 CG ASP A 63 -9.048 -15.206 0.568 1.00 1.67 C ATOM 935 OD1 ASP A 63 -9.231 -14.889 1.762 1.00 2.03 O ATOM 936 OD2 ASP A 63 -9.244 -16.362 0.135 1.00 2.44 O ATOM 0 H ASP A 63 -7.917 -12.685 1.528 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.451 -14.597 -0.019 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -9.187 -13.277 -0.333 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.599 -14.531 -1.406 1.00 0.96 H new ATOM 941 N VAL A 64 -7.126 -11.632 -1.335 1.00 0.57 N ATOM 942 CA VAL A 64 -6.837 -10.740 -2.452 1.00 0.58 C ATOM 943 C VAL A 64 -5.430 -10.164 -2.350 1.00 0.53 C ATOM 944 O VAL A 64 -4.814 -9.825 -3.358 1.00 0.59 O ATOM 945 CB VAL A 64 -7.870 -9.589 -2.527 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.662 -8.749 -3.780 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.286 -10.142 -2.491 1.00 1.14 C ATOM 0 H VAL A 64 -7.760 -11.240 -0.638 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.905 -11.333 -3.364 1.00 0.58 H new ATOM 0 HB VAL A 64 -7.723 -8.947 -1.659 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.401 -7.948 -3.808 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -6.661 -8.319 -3.768 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.776 -9.378 -4.663 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -9.999 -9.320 -2.545 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.438 -10.810 -3.339 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.438 -10.694 -1.563 1.00 1.14 H new ATOM 957 N ALA A 65 -4.917 -10.089 -1.128 1.00 0.52 N ATOM 958 CA ALA A 65 -3.604 -9.507 -0.876 1.00 0.58 C ATOM 959 C ALA A 65 -2.495 -10.259 -1.604 1.00 0.56 C ATOM 960 O ALA A 65 -1.572 -9.655 -2.148 1.00 0.68 O ATOM 961 CB ALA A 65 -3.329 -9.480 0.616 1.00 0.67 C ATOM 0 H ALA A 65 -5.393 -10.426 -0.291 1.00 0.52 H new ATOM 0 HA ALA A 65 -3.613 -8.488 -1.264 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -2.347 -9.044 0.797 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.090 -8.880 1.115 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.353 -10.496 1.009 1.00 0.67 H new ATOM 967 N GLY A 66 -2.612 -11.575 -1.642 1.00 0.50 N ATOM 968 CA GLY A 66 -1.577 -12.401 -2.237 1.00 0.56 C ATOM 969 C GLY A 66 -1.661 -12.462 -3.752 1.00 0.58 C ATOM 970 O GLY A 66 -1.422 -13.512 -4.350 1.00 0.77 O ATOM 0 H GLY A 66 -3.409 -12.092 -1.270 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.600 -12.013 -1.949 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.650 -13.411 -1.834 1.00 0.56 H new ATOM 974 N ARG A 67 -2.006 -11.342 -4.379 1.00 0.55 N ATOM 975 CA ARG A 67 -2.117 -11.282 -5.833 1.00 0.63 C ATOM 976 C ARG A 67 -1.596 -9.946 -6.368 1.00 0.58 C ATOM 977 O ARG A 67 -1.523 -9.743 -7.581 1.00 0.78 O ATOM 978 CB ARG A 67 -3.575 -11.465 -6.275 1.00 0.77 C ATOM 979 CG ARG A 67 -4.217 -12.756 -5.793 1.00 0.93 C ATOM 980 CD ARG A 67 -5.640 -12.900 -6.316 1.00 1.10 C ATOM 981 NE ARG A 67 -5.682 -12.986 -7.776 1.00 1.82 N ATOM 982 CZ ARG A 67 -6.490 -12.259 -8.551 1.00 2.63 C ATOM 983 NH1 ARG A 67 -7.322 -11.372 -8.013 1.00 2.86 N ATOM 984 NH2 ARG A 67 -6.464 -12.418 -9.867 1.00 3.63 N ATOM 0 H ARG A 67 -2.214 -10.464 -3.904 1.00 0.55 H new ATOM 0 HA ARG A 67 -1.511 -12.091 -6.240 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.162 -10.622 -5.909 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -3.619 -11.435 -7.364 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -3.619 -13.606 -6.122 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -4.225 -12.775 -4.703 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -6.095 -13.793 -5.887 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -6.235 -12.049 -5.986 1.00 1.10 H new ATOM 0 HE ARG A 67 -5.052 -13.646 -8.232 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -7.346 -11.243 -7.001 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -7.936 -10.820 -8.612 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -5.827 -13.095 -10.286 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -7.081 -11.863 -10.460 1.00 3.63 H new ATOM 998 N VAL A 68 -1.242 -9.038 -5.467 1.00 0.50 N ATOM 999 CA VAL A 68 -0.857 -7.685 -5.859 1.00 0.48 C ATOM 1000 C VAL A 68 0.664 -7.495 -5.836 1.00 0.54 C ATOM 1001 O VAL A 68 1.314 -7.619 -4.797 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.550 -6.627 -4.963 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -1.202 -6.818 -3.495 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.195 -5.223 -5.418 1.00 0.89 C ATOM 0 H VAL A 68 -1.213 -9.212 -4.462 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.193 -7.542 -6.886 1.00 0.48 H new ATOM 0 HB VAL A 68 -2.626 -6.765 -5.067 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -1.707 -6.057 -2.899 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -1.525 -7.807 -3.170 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -0.124 -6.727 -3.362 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.692 -4.496 -4.776 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -0.116 -5.083 -5.358 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -1.522 -5.081 -6.448 1.00 0.89 H new ATOM 1014 N ASP A 69 1.230 -7.232 -7.008 1.00 0.38 N ATOM 1015 CA ASP A 69 2.657 -6.925 -7.120 1.00 0.43 C ATOM 1016 C ASP A 69 2.891 -5.424 -7.113 1.00 0.34 C ATOM 1017 O ASP A 69 3.881 -4.936 -6.560 1.00 0.41 O ATOM 1018 CB ASP A 69 3.248 -7.492 -8.418 1.00 0.65 C ATOM 1019 CG ASP A 69 3.461 -8.991 -8.392 1.00 0.97 C ATOM 1020 OD1 ASP A 69 2.502 -9.737 -8.687 1.00 1.65 O ATOM 1021 OD2 ASP A 69 4.599 -9.426 -8.119 1.00 1.75 O ATOM 0 H ASP A 69 0.726 -7.224 -7.895 1.00 0.38 H new ATOM 0 HA ASP A 69 3.146 -7.384 -6.261 1.00 0.43 H new ATOM 0 HB2 ASP A 69 2.585 -7.244 -9.247 1.00 0.65 H new ATOM 0 HB3 ASP A 69 4.202 -7.003 -8.615 1.00 0.65 H new ATOM 1026 N THR A 70 1.979 -4.699 -7.739 1.00 0.34 N ATOM 1027 CA THR A 70 2.147 -3.276 -7.960 1.00 0.31 C ATOM 1028 C THR A 70 1.213 -2.443 -7.086 1.00 0.28 C ATOM 1029 O THR A 70 0.025 -2.757 -6.955 1.00 0.28 O ATOM 1030 CB THR A 70 1.908 -2.931 -9.441 1.00 0.39 C ATOM 1031 OG1 THR A 70 0.702 -3.558 -9.901 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.078 -3.387 -10.297 1.00 0.44 C ATOM 0 H THR A 70 1.107 -5.079 -8.106 1.00 0.34 H new ATOM 0 HA THR A 70 3.173 -3.030 -7.685 1.00 0.31 H new ATOM 0 HB THR A 70 1.813 -1.849 -9.529 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.555 -3.333 -10.843 1.00 0.50 H new ATOM 0 HG21 THR A 70 2.887 -3.133 -11.340 1.00 0.44 H new ATOM 0 HG22 THR A 70 3.989 -2.890 -9.963 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.199 -4.466 -10.203 1.00 0.44 H new ATOM 1040 N PRO A 71 1.751 -1.373 -6.468 1.00 0.29 N ATOM 1041 CA PRO A 71 0.972 -0.427 -5.659 1.00 0.29 C ATOM 1042 C PRO A 71 -0.233 0.142 -6.403 1.00 0.27 C ATOM 1043 O PRO A 71 -1.224 0.525 -5.778 1.00 0.28 O ATOM 1044 CB PRO A 71 1.978 0.684 -5.341 1.00 0.34 C ATOM 1045 CG PRO A 71 3.304 0.023 -5.416 1.00 0.38 C ATOM 1046 CD PRO A 71 3.183 -1.026 -6.483 1.00 0.35 C ATOM 0 HA PRO A 71 0.550 -0.909 -4.777 1.00 0.29 H new ATOM 0 HB2 PRO A 71 1.903 1.503 -6.056 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.802 1.107 -4.352 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.085 0.742 -5.663 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.572 -0.423 -4.458 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.493 -0.645 -7.456 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.808 -1.892 -6.266 1.00 0.35 H new ATOM 1054 N ARG A 72 -0.139 0.205 -7.731 1.00 0.32 N ATOM 1055 CA ARG A 72 -1.251 0.660 -8.560 1.00 0.37 C ATOM 1056 C ARG A 72 -2.509 -0.145 -8.257 1.00 0.35 C ATOM 1057 O ARG A 72 -3.536 0.410 -7.877 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.902 0.535 -10.044 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.990 1.057 -10.971 1.00 0.83 C ATOM 1060 CD ARG A 72 -2.171 2.561 -10.840 1.00 1.15 C ATOM 1061 NE ARG A 72 -3.566 2.920 -10.589 1.00 1.76 N ATOM 1062 CZ ARG A 72 -4.210 3.947 -11.151 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -3.582 4.772 -11.984 1.00 3.22 N ATOM 1064 NH2 ARG A 72 -5.487 4.155 -10.852 1.00 3.56 N ATOM 0 H ARG A 72 0.697 -0.054 -8.255 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.438 1.709 -8.329 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.022 1.080 -10.239 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.710 -0.512 -10.277 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -1.738 0.810 -12.002 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -2.931 0.557 -10.744 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -1.548 2.933 -10.026 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -1.828 3.049 -11.752 1.00 1.15 H new ATOM 0 HE ARG A 72 -4.089 2.340 -9.933 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -2.596 4.625 -12.201 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -4.086 5.552 -12.406 1.00 3.22 H new ATOM 0 HH21 ARG A 72 -5.966 3.534 -10.200 1.00 3.56 H new ATOM 0 HH22 ARG A 72 -5.989 4.936 -11.275 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.404 -1.459 -8.405 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.538 -2.352 -8.182 1.00 0.39 C ATOM 1080 C GLU A 73 -4.019 -2.269 -6.740 1.00 0.36 C ATOM 1081 O GLU A 73 -5.221 -2.253 -6.476 1.00 0.38 O ATOM 1082 CB GLU A 73 -3.146 -3.794 -8.515 1.00 0.47 C ATOM 1083 CG GLU A 73 -2.862 -4.027 -9.990 1.00 0.56 C ATOM 1084 CD GLU A 73 -4.102 -3.873 -10.846 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -4.870 -4.846 -10.974 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -4.319 -2.769 -11.389 1.00 2.43 O ATOM 0 H GLU A 73 -1.543 -1.933 -8.679 1.00 0.36 H new ATOM 0 HA GLU A 73 -4.351 -2.039 -8.837 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -2.262 -4.063 -7.937 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.948 -4.461 -8.199 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -2.101 -3.323 -10.327 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -2.452 -5.028 -10.125 1.00 0.56 H new ATOM 1093 N LEU A 74 -3.069 -2.203 -5.815 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.374 -2.124 -4.392 1.00 0.34 C ATOM 1095 C LEU A 74 -4.241 -0.894 -4.106 1.00 0.33 C ATOM 1096 O LEU A 74 -5.290 -0.994 -3.471 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.057 -2.067 -3.596 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.124 -2.491 -2.119 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -2.876 -1.469 -1.279 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -2.764 -3.867 -1.991 1.00 0.98 C ATOM 0 H LEU A 74 -2.072 -2.203 -6.028 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.934 -3.007 -4.085 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.327 -2.701 -4.099 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.677 -1.047 -3.640 1.00 0.34 H new ATOM 0 HG LEU A 74 -1.104 -2.542 -1.739 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -2.904 -1.801 -0.241 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -2.369 -0.506 -1.338 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -3.894 -1.367 -1.655 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -2.804 -4.153 -0.940 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.775 -3.837 -2.398 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -2.172 -4.597 -2.543 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.794 0.257 -4.595 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.514 1.513 -4.408 1.00 0.33 C ATOM 1114 C LEU A 75 -5.927 1.425 -4.994 1.00 0.35 C ATOM 1115 O LEU A 75 -6.902 1.841 -4.357 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.716 2.659 -5.056 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.255 4.077 -4.834 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.111 5.081 -4.876 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -5.292 4.436 -5.889 1.00 0.91 C ATOM 0 H LEU A 75 -2.929 0.347 -5.128 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.616 1.712 -3.341 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.694 2.619 -4.679 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.667 2.477 -6.130 1.00 0.35 H new ATOM 0 HG LEU A 75 -4.732 4.111 -3.855 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.503 6.086 -4.717 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -2.391 4.845 -4.093 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -2.620 5.032 -5.848 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -5.659 5.447 -5.709 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -4.837 4.385 -6.878 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -6.124 3.733 -5.836 1.00 0.91 H new ATOM 1131 N ASP A 76 -6.027 0.867 -6.194 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.299 0.763 -6.905 1.00 0.44 C ATOM 1133 C ASP A 76 -8.270 -0.191 -6.221 1.00 0.40 C ATOM 1134 O ASP A 76 -9.477 0.045 -6.225 1.00 0.43 O ATOM 1135 CB ASP A 76 -7.072 0.307 -8.344 1.00 0.55 C ATOM 1136 CG ASP A 76 -6.657 1.439 -9.259 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -5.513 1.915 -9.149 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -7.472 1.852 -10.108 1.00 1.43 O ATOM 0 H ASP A 76 -5.234 0.475 -6.701 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.744 1.758 -6.897 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.304 -0.466 -8.358 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -7.987 -0.146 -8.726 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.752 -1.271 -5.651 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.595 -2.253 -4.977 1.00 0.38 C ATOM 1145 C LEU A 77 -9.302 -1.618 -3.783 1.00 0.34 C ATOM 1146 O LEU A 77 -10.513 -1.759 -3.616 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.763 -3.458 -4.519 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.178 -4.317 -5.644 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -6.289 -5.415 -5.073 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -8.291 -4.917 -6.493 1.00 1.66 C ATOM 0 H LEU A 77 -6.756 -1.490 -5.641 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.347 -2.601 -5.686 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.944 -3.097 -3.897 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -8.388 -4.091 -3.889 1.00 0.46 H new ATOM 0 HG LEU A 77 -6.567 -3.678 -6.281 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -5.883 -6.015 -5.888 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -5.471 -4.965 -4.511 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -6.877 -6.052 -4.412 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.856 -5.524 -7.287 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -8.929 -5.541 -5.868 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -8.885 -4.116 -6.933 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.545 -0.888 -2.975 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.103 -0.242 -1.794 1.00 0.31 C ATOM 1164 C ILE A 78 -10.024 0.913 -2.191 1.00 0.34 C ATOM 1165 O ILE A 78 -11.081 1.115 -1.591 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.986 0.271 -0.858 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.057 -0.885 -0.484 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.573 0.909 0.395 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.879 -0.480 0.375 1.00 0.40 C ATOM 0 H ILE A 78 -7.547 -0.729 -3.114 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.687 -0.988 -1.256 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.414 1.035 -1.384 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.634 -1.644 0.044 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.684 -1.347 -1.398 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.765 1.261 1.036 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.206 1.750 0.113 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.169 0.172 0.934 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.271 -1.357 0.595 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.276 0.255 -0.158 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.241 -0.046 1.307 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.631 1.660 -3.217 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.436 2.783 -3.692 1.00 0.44 C ATOM 1183 C ASN A 79 -11.736 2.308 -4.327 1.00 0.44 C ATOM 1184 O ASN A 79 -12.735 3.026 -4.306 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.658 3.637 -4.692 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.961 4.808 -4.032 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.522 5.896 -3.923 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -7.740 4.597 -3.582 1.00 0.78 N ATOM 0 H ASN A 79 -8.765 1.511 -3.734 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.677 3.392 -2.821 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -8.919 3.016 -5.198 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.340 4.008 -5.457 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.228 5.351 -3.125 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -7.308 3.680 -3.691 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.720 1.100 -4.889 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.916 0.529 -5.489 1.00 0.47 C ATOM 1197 C GLY A 80 -13.998 0.264 -4.464 1.00 0.48 C ATOM 1198 O GLY A 80 -15.182 0.487 -4.721 1.00 0.54 O ATOM 0 H GLY A 80 -10.894 0.503 -4.939 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.298 1.208 -6.251 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.659 -0.403 -5.993 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.586 -0.194 -3.290 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.519 -0.459 -2.205 1.00 0.56 C ATOM 1204 C ALA A 81 -15.025 0.848 -1.600 1.00 0.61 C ATOM 1205 O ALA A 81 -16.177 0.948 -1.178 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.855 -1.323 -1.139 1.00 0.60 C ATOM 0 H ALA A 81 -12.611 -0.390 -3.065 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.375 -1.001 -2.607 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.563 -1.514 -0.333 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.543 -2.270 -1.580 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.983 -0.804 -0.741 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.159 1.855 -1.581 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.504 3.157 -1.018 1.00 0.64 C ATOM 1214 C LEU A 82 -15.264 4.020 -2.022 1.00 0.70 C ATOM 1215 O LEU A 82 -15.768 5.087 -1.675 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.243 3.891 -0.558 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.483 3.224 0.589 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.215 3.999 0.917 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.367 3.117 1.820 1.00 0.85 C ATOM 0 H LEU A 82 -13.210 1.795 -1.950 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.154 2.980 -0.161 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.569 3.991 -1.409 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.521 4.899 -0.251 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.201 2.220 0.273 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.690 3.507 1.736 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.570 4.030 0.039 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.476 5.015 1.212 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.811 2.640 2.627 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.677 4.114 2.133 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -14.248 2.520 1.584 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.347 3.557 -3.264 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.045 4.296 -4.312 1.00 0.71 C ATOM 1233 C ALA A 83 -17.540 4.363 -4.029 1.00 0.85 C ATOM 1234 O ALA A 83 -18.203 5.353 -4.345 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.791 3.658 -5.669 1.00 0.70 C ATOM 0 H ALA A 83 -14.940 2.674 -3.571 1.00 0.63 H new ATOM 0 HA ALA A 83 -15.656 5.314 -4.325 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.318 4.220 -6.440 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.722 3.667 -5.881 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -16.151 2.629 -5.660 1.00 0.70 H new