USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 542 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 34 TYR OH : rot -35:sc= 2.06 USER MOD Set 1.2: A 36 SER OG : rot 57:sc= 0.992 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -0.96 K(o=0.18,f=-0.76) USER MOD Set 2.2: A 61 THR OG1 : rot 82:sc= 1.14 USER MOD Set 3.1: A 25 SER OG : rot 100:sc= 0.646 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -173:sc= 1.84 (180deg=0.499) USER MOD Set 4.1: A 15 CYS SG : rot 180:sc= -0.0715 USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0.0293 USER MOD Set 4.3: A 18 CYS SG : rot 100:sc= 0.137 USER MOD Single : A 13 MET CE :methyl 165:sc= -0.146 (180deg=-0.747) USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.561 USER MOD Single : A 20 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-2!) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 1.95 (180deg=1.55) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 35 CYS SG : rot 160:sc= -0.0978 USER MOD Single : A 41 THR OG1 : rot 160:sc= -0.0619 USER MOD Single : A 42 ASN : amide:sc= 0.109 K(o=0.11,f=-0.61) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0.713) USER MOD Single : A 45 HIS : no HE2:sc= -0.471 K(o=-0.47,f=-6.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -70:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.532 -2.102 -4.897 1.00 1.67 N ATOM 47 CA VAL A 5 -8.581 -1.009 -5.014 1.00 1.48 C ATOM 48 C VAL A 5 -8.613 -0.200 -3.721 1.00 1.52 C ATOM 49 O VAL A 5 -9.695 0.094 -3.214 1.00 2.07 O ATOM 50 CB VAL A 5 -8.904 -0.162 -6.261 1.00 1.76 C ATOM 51 CG1 VAL A 5 -8.949 -1.051 -7.510 1.00 2.26 C ATOM 52 CG2 VAL A 5 -10.230 0.607 -6.172 1.00 3.31 C ATOM 0 HA VAL A 5 -7.567 -1.385 -5.151 1.00 1.48 H new ATOM 0 HB VAL A 5 -8.103 0.574 -6.323 1.00 1.76 H new ATOM 0 HG11 VAL A 5 -9.178 -0.440 -8.383 1.00 2.26 H new ATOM 0 HG12 VAL A 5 -7.981 -1.533 -7.648 1.00 2.26 H new ATOM 0 HG13 VAL A 5 -9.720 -1.812 -7.387 1.00 2.26 H new ATOM 0 HG21 VAL A 5 -10.382 1.177 -7.088 1.00 3.31 H new ATOM 0 HG22 VAL A 5 -11.051 -0.098 -6.042 1.00 3.31 H new ATOM 0 HG23 VAL A 5 -10.199 1.288 -5.322 1.00 3.31 H new ATOM 62 N LEU A 6 -7.445 0.132 -3.165 1.00 1.10 N ATOM 63 CA LEU A 6 -7.317 1.060 -2.053 1.00 1.20 C ATOM 64 C LEU A 6 -6.179 2.024 -2.362 1.00 0.90 C ATOM 65 O LEU A 6 -5.080 1.599 -2.713 1.00 0.85 O ATOM 66 CB LEU A 6 -7.057 0.322 -0.733 1.00 1.45 C ATOM 67 CG LEU A 6 -8.292 -0.423 -0.207 1.00 1.84 C ATOM 68 CD1 LEU A 6 -7.859 -1.423 0.872 1.00 3.24 C ATOM 69 CD2 LEU A 6 -9.356 0.515 0.374 1.00 2.07 C ATOM 0 H LEU A 6 -6.552 -0.245 -3.484 1.00 1.10 H new ATOM 0 HA LEU A 6 -8.251 1.608 -1.932 1.00 1.20 H new ATOM 0 HB2 LEU A 6 -6.244 -0.390 -0.876 1.00 1.45 H new ATOM 0 HB3 LEU A 6 -6.725 1.039 0.018 1.00 1.45 H new ATOM 0 HG LEU A 6 -8.743 -0.934 -1.057 1.00 1.84 H new ATOM 0 HD11 LEU A 6 -8.734 -1.954 1.248 1.00 3.24 H new ATOM 0 HD12 LEU A 6 -7.156 -2.138 0.444 1.00 3.24 H new ATOM 0 HD13 LEU A 6 -7.379 -0.889 1.692 1.00 3.24 H new ATOM 0 HD21 LEU A 6 -10.203 -0.072 0.729 1.00 2.07 H new ATOM 0 HD22 LEU A 6 -8.931 1.077 1.205 1.00 2.07 H new ATOM 0 HD23 LEU A 6 -9.692 1.207 -0.398 1.00 2.07 H new ATOM 81 N GLU A 7 -6.462 3.317 -2.207 1.00 0.84 N ATOM 82 CA GLU A 7 -5.512 4.408 -2.332 1.00 0.75 C ATOM 83 C GLU A 7 -5.346 5.067 -0.967 1.00 0.76 C ATOM 84 O GLU A 7 -6.085 5.987 -0.604 1.00 1.18 O ATOM 85 CB GLU A 7 -5.971 5.421 -3.381 1.00 0.92 C ATOM 86 CG GLU A 7 -5.704 4.961 -4.819 1.00 0.77 C ATOM 87 CD GLU A 7 -5.544 6.142 -5.766 1.00 1.23 C ATOM 88 OE1 GLU A 7 -6.237 7.155 -5.536 1.00 2.50 O ATOM 89 OE2 GLU A 7 -4.656 6.058 -6.640 1.00 2.13 O ATOM 0 H GLU A 7 -7.403 3.641 -1.981 1.00 0.84 H new ATOM 0 HA GLU A 7 -4.551 4.018 -2.667 1.00 0.75 H new ATOM 0 HB2 GLU A 7 -7.038 5.605 -3.257 1.00 0.92 H new ATOM 0 HB3 GLU A 7 -5.462 6.369 -3.209 1.00 0.92 H new ATOM 0 HG2 GLU A 7 -4.802 4.349 -4.844 1.00 0.77 H new ATOM 0 HG3 GLU A 7 -6.526 4.331 -5.158 1.00 0.77 H new ATOM 96 N LEU A 8 -4.358 4.585 -0.219 1.00 0.64 N ATOM 97 CA LEU A 8 -3.976 5.102 1.081 1.00 0.62 C ATOM 98 C LEU A 8 -2.732 5.960 0.882 1.00 0.47 C ATOM 99 O LEU A 8 -1.817 5.552 0.165 1.00 0.46 O ATOM 100 CB LEU A 8 -3.741 3.960 2.089 1.00 0.75 C ATOM 101 CG LEU A 8 -3.086 2.704 1.483 1.00 0.72 C ATOM 102 CD1 LEU A 8 -2.297 1.961 2.559 1.00 1.11 C ATOM 103 CD2 LEU A 8 -4.129 1.721 0.929 1.00 1.32 C ATOM 0 H LEU A 8 -3.784 3.796 -0.516 1.00 0.64 H new ATOM 0 HA LEU A 8 -4.776 5.709 1.504 1.00 0.62 H new ATOM 0 HB2 LEU A 8 -3.111 4.329 2.898 1.00 0.75 H new ATOM 0 HB3 LEU A 8 -4.697 3.679 2.532 1.00 0.75 H new ATOM 0 HG LEU A 8 -2.441 3.046 0.673 1.00 0.72 H new ATOM 0 HD11 LEU A 8 -1.836 1.074 2.125 1.00 1.11 H new ATOM 0 HD12 LEU A 8 -1.521 2.615 2.958 1.00 1.11 H new ATOM 0 HD13 LEU A 8 -2.970 1.664 3.363 1.00 1.11 H new ATOM 0 HD21 LEU A 8 -3.623 0.850 0.512 1.00 1.32 H new ATOM 0 HD22 LEU A 8 -4.793 1.404 1.733 1.00 1.32 H new ATOM 0 HD23 LEU A 8 -4.712 2.210 0.149 1.00 1.32 H new ATOM 115 N VAL A 9 -2.700 7.149 1.488 1.00 0.47 N ATOM 116 CA VAL A 9 -1.492 7.952 1.540 1.00 0.47 C ATOM 117 C VAL A 9 -0.628 7.385 2.667 1.00 0.43 C ATOM 118 O VAL A 9 -1.042 7.351 3.825 1.00 0.51 O ATOM 119 CB VAL A 9 -1.783 9.463 1.604 1.00 0.74 C ATOM 120 CG1 VAL A 9 -2.261 9.959 2.967 1.00 1.79 C ATOM 121 CG2 VAL A 9 -0.544 10.274 1.211 1.00 2.89 C ATOM 0 H VAL A 9 -3.505 7.572 1.950 1.00 0.47 H new ATOM 0 HA VAL A 9 -0.923 7.881 0.613 1.00 0.47 H new ATOM 0 HB VAL A 9 -2.598 9.614 0.896 1.00 0.74 H new ATOM 0 HG11 VAL A 9 -2.442 11.033 2.921 1.00 1.79 H new ATOM 0 HG12 VAL A 9 -3.185 9.447 3.237 1.00 1.79 H new ATOM 0 HG13 VAL A 9 -1.498 9.751 3.718 1.00 1.79 H new ATOM 0 HG21 VAL A 9 -0.774 11.338 1.264 1.00 2.89 H new ATOM 0 HG22 VAL A 9 0.273 10.045 1.895 1.00 2.89 H new ATOM 0 HG23 VAL A 9 -0.248 10.017 0.194 1.00 2.89 H new ATOM 131 N VAL A 10 0.535 6.861 2.294 1.00 0.45 N ATOM 132 CA VAL A 10 1.462 6.156 3.151 1.00 0.46 C ATOM 133 C VAL A 10 2.481 7.172 3.669 1.00 0.54 C ATOM 134 O VAL A 10 3.542 7.370 3.078 1.00 0.60 O ATOM 135 CB VAL A 10 2.075 4.981 2.369 1.00 0.48 C ATOM 136 CG1 VAL A 10 1.084 3.813 2.317 1.00 0.65 C ATOM 137 CG2 VAL A 10 2.432 5.329 0.918 1.00 0.65 C ATOM 0 H VAL A 10 0.868 6.924 1.332 1.00 0.45 H new ATOM 0 HA VAL A 10 0.978 5.713 4.021 1.00 0.46 H new ATOM 0 HB VAL A 10 2.991 4.724 2.901 1.00 0.48 H new ATOM 0 HG11 VAL A 10 1.526 2.986 1.762 1.00 0.65 H new ATOM 0 HG12 VAL A 10 0.852 3.487 3.331 1.00 0.65 H new ATOM 0 HG13 VAL A 10 0.168 4.135 1.821 1.00 0.65 H new ATOM 0 HG21 VAL A 10 2.859 4.454 0.428 1.00 0.65 H new ATOM 0 HG22 VAL A 10 1.532 5.639 0.386 1.00 0.65 H new ATOM 0 HG23 VAL A 10 3.159 6.141 0.907 1.00 0.65 H new ATOM 147 N ARG A 11 2.152 7.848 4.772 1.00 0.60 N ATOM 148 CA ARG A 11 2.954 8.974 5.228 1.00 0.65 C ATOM 149 C ARG A 11 4.208 8.424 5.907 1.00 0.65 C ATOM 150 O ARG A 11 4.110 7.523 6.739 1.00 0.78 O ATOM 151 CB ARG A 11 2.163 9.880 6.185 1.00 0.86 C ATOM 152 CG ARG A 11 0.778 10.260 5.642 1.00 1.07 C ATOM 153 CD ARG A 11 0.131 11.353 6.505 1.00 1.48 C ATOM 154 NE ARG A 11 -1.218 11.682 6.009 1.00 2.78 N ATOM 155 CZ ARG A 11 -2.375 11.159 6.454 1.00 3.85 C ATOM 156 NH1 ARG A 11 -2.447 10.468 7.590 1.00 3.91 N ATOM 157 NH2 ARG A 11 -3.493 11.280 5.734 1.00 5.62 N ATOM 0 H ARG A 11 1.344 7.635 5.357 1.00 0.60 H new ATOM 0 HA ARG A 11 3.232 9.591 4.373 1.00 0.65 H new ATOM 0 HB2 ARG A 11 2.045 9.373 7.143 1.00 0.86 H new ATOM 0 HB3 ARG A 11 2.735 10.788 6.373 1.00 0.86 H new ATOM 0 HG2 ARG A 11 0.870 10.610 4.614 1.00 1.07 H new ATOM 0 HG3 ARG A 11 0.136 9.379 5.623 1.00 1.07 H new ATOM 0 HD2 ARG A 11 0.071 11.017 7.540 1.00 1.48 H new ATOM 0 HD3 ARG A 11 0.755 12.247 6.496 1.00 1.48 H new ATOM 0 HE ARG A 11 -1.280 12.370 5.259 1.00 2.78 H new ATOM 0 HH11 ARG A 11 -1.608 10.322 8.152 1.00 3.91 H new ATOM 0 HH12 ARG A 11 -3.341 10.085 7.898 1.00 3.91 H new ATOM 0 HH21 ARG A 11 -3.473 11.771 4.840 1.00 5.62 H new ATOM 0 HH22 ARG A 11 -4.367 10.881 6.078 1.00 5.62 H new ATOM 171 N GLY A 12 5.380 8.944 5.531 1.00 0.66 N ATOM 172 CA GLY A 12 6.665 8.521 6.075 1.00 0.71 C ATOM 173 C GLY A 12 7.718 8.301 4.988 1.00 0.66 C ATOM 174 O GLY A 12 8.906 8.271 5.297 1.00 1.01 O ATOM 0 H GLY A 12 5.459 9.681 4.830 1.00 0.66 H new ATOM 0 HA2 GLY A 12 7.024 9.274 6.777 1.00 0.71 H new ATOM 0 HA3 GLY A 12 6.531 7.598 6.639 1.00 0.71 H new ATOM 178 N MET A 13 7.308 8.129 3.724 1.00 0.55 N ATOM 179 CA MET A 13 8.250 7.974 2.633 1.00 0.70 C ATOM 180 C MET A 13 9.168 9.196 2.527 1.00 1.13 C ATOM 181 O MET A 13 8.744 10.315 2.810 1.00 1.88 O ATOM 182 CB MET A 13 7.481 7.806 1.324 1.00 1.50 C ATOM 183 CG MET A 13 6.583 6.565 1.296 1.00 0.78 C ATOM 184 SD MET A 13 5.481 6.480 -0.136 1.00 1.19 S ATOM 185 CE MET A 13 6.671 6.777 -1.447 1.00 1.31 C ATOM 0 H MET A 13 6.328 8.095 3.443 1.00 0.55 H new ATOM 0 HA MET A 13 8.864 7.094 2.825 1.00 0.70 H new ATOM 0 HB2 MET A 13 6.868 8.692 1.156 1.00 1.50 H new ATOM 0 HB3 MET A 13 8.192 7.749 0.499 1.00 1.50 H new ATOM 0 HG2 MET A 13 7.212 5.675 1.310 1.00 0.78 H new ATOM 0 HG3 MET A 13 5.982 6.545 2.205 1.00 0.78 H new ATOM 0 HE1 MET A 13 6.232 6.501 -2.406 1.00 1.31 H new ATOM 0 HE2 MET A 13 6.940 7.833 -1.462 1.00 1.31 H new ATOM 0 HE3 MET A 13 7.564 6.178 -1.270 1.00 1.31 H new ATOM 195 N THR A 14 10.415 8.981 2.098 1.00 1.03 N ATOM 196 CA THR A 14 11.386 10.054 1.921 1.00 1.61 C ATOM 197 C THR A 14 12.436 9.798 0.829 1.00 1.59 C ATOM 198 O THR A 14 13.158 10.742 0.504 1.00 2.08 O ATOM 199 CB THR A 14 12.032 10.409 3.274 1.00 2.15 C ATOM 200 OG1 THR A 14 12.852 11.554 3.143 1.00 2.87 O ATOM 201 CG2 THR A 14 12.862 9.256 3.849 1.00 2.65 C ATOM 0 H THR A 14 10.776 8.056 1.865 1.00 1.03 H new ATOM 0 HA THR A 14 10.827 10.914 1.552 1.00 1.61 H new ATOM 0 HB THR A 14 11.215 10.611 3.967 1.00 2.15 H new ATOM 0 HG1 THR A 14 13.216 11.593 2.234 1.00 2.87 H new ATOM 0 HG21 THR A 14 13.295 9.559 4.802 1.00 2.65 H new ATOM 0 HG22 THR A 14 12.222 8.387 4.001 1.00 2.65 H new ATOM 0 HG23 THR A 14 13.661 9.000 3.153 1.00 2.65 H new ATOM 209 N CYS A 15 12.567 8.588 0.266 1.00 1.17 N ATOM 210 CA CYS A 15 13.560 8.297 -0.758 1.00 1.12 C ATOM 211 C CYS A 15 13.218 6.969 -1.433 1.00 0.90 C ATOM 212 O CYS A 15 12.322 6.254 -0.979 1.00 0.70 O ATOM 213 CB CYS A 15 14.966 8.270 -0.138 1.00 1.25 C ATOM 214 SG CYS A 15 15.169 7.167 1.284 1.00 1.46 S ATOM 0 H CYS A 15 11.984 7.789 0.513 1.00 1.17 H new ATOM 0 HA CYS A 15 13.550 9.080 -1.516 1.00 1.12 H new ATOM 0 HB2 CYS A 15 15.679 7.976 -0.909 1.00 1.25 H new ATOM 0 HB3 CYS A 15 15.228 9.282 0.169 1.00 1.25 H new ATOM 0 HG CYS A 15 16.395 7.233 1.713 1.00 1.46 H new ATOM 219 N ALA A 16 13.944 6.644 -2.509 1.00 0.97 N ATOM 220 CA ALA A 16 13.779 5.430 -3.306 1.00 0.84 C ATOM 221 C ALA A 16 13.671 4.178 -2.434 1.00 0.64 C ATOM 222 O ALA A 16 12.873 3.283 -2.722 1.00 0.56 O ATOM 223 CB ALA A 16 14.950 5.301 -4.283 1.00 1.00 C ATOM 0 H ALA A 16 14.690 7.245 -2.859 1.00 0.97 H new ATOM 0 HA ALA A 16 12.843 5.514 -3.859 1.00 0.84 H new ATOM 0 HB1 ALA A 16 14.829 4.396 -4.879 1.00 1.00 H new ATOM 0 HB2 ALA A 16 14.971 6.169 -4.942 1.00 1.00 H new ATOM 0 HB3 ALA A 16 15.885 5.246 -3.725 1.00 1.00 H new ATOM 229 N SER A 17 14.460 4.125 -1.358 1.00 0.72 N ATOM 230 CA SER A 17 14.396 3.076 -0.358 1.00 0.75 C ATOM 231 C SER A 17 12.955 2.776 0.053 1.00 0.61 C ATOM 232 O SER A 17 12.545 1.617 0.102 1.00 0.77 O ATOM 233 CB SER A 17 15.266 3.476 0.833 1.00 1.00 C ATOM 234 OG SER A 17 16.541 3.852 0.346 1.00 1.47 O ATOM 0 H SER A 17 15.173 4.828 -1.161 1.00 0.72 H new ATOM 0 HA SER A 17 14.783 2.149 -0.780 1.00 0.75 H new ATOM 0 HB2 SER A 17 14.808 4.302 1.377 1.00 1.00 H new ATOM 0 HB3 SER A 17 15.357 2.645 1.533 1.00 1.00 H new ATOM 0 HG SER A 17 17.114 4.114 1.097 1.00 1.47 H new ATOM 240 N CYS A 18 12.177 3.821 0.330 1.00 0.46 N ATOM 241 CA CYS A 18 10.806 3.682 0.773 1.00 0.46 C ATOM 242 C CYS A 18 9.917 3.168 -0.355 1.00 0.49 C ATOM 243 O CYS A 18 9.046 2.331 -0.128 1.00 0.70 O ATOM 244 CB CYS A 18 10.319 5.021 1.319 1.00 0.49 C ATOM 245 SG CYS A 18 11.392 5.669 2.626 1.00 0.63 S ATOM 0 H CYS A 18 12.489 4.789 0.251 1.00 0.46 H new ATOM 0 HA CYS A 18 10.753 2.942 1.572 1.00 0.46 H new ATOM 0 HB2 CYS A 18 10.266 5.744 0.505 1.00 0.49 H new ATOM 0 HB3 CYS A 18 9.307 4.905 1.708 1.00 0.49 H new ATOM 0 HG CYS A 18 12.185 6.571 2.129 1.00 0.63 H new ATOM 250 N VAL A 19 10.154 3.664 -1.569 1.00 0.43 N ATOM 251 CA VAL A 19 9.393 3.277 -2.744 1.00 0.52 C ATOM 252 C VAL A 19 9.514 1.766 -2.907 1.00 0.52 C ATOM 253 O VAL A 19 8.518 1.041 -2.877 1.00 0.58 O ATOM 254 CB VAL A 19 9.910 4.027 -3.987 1.00 0.60 C ATOM 255 CG1 VAL A 19 9.059 3.726 -5.228 1.00 0.69 C ATOM 256 CG2 VAL A 19 9.936 5.538 -3.746 1.00 0.74 C ATOM 0 H VAL A 19 10.885 4.349 -1.760 1.00 0.43 H new ATOM 0 HA VAL A 19 8.343 3.543 -2.627 1.00 0.52 H new ATOM 0 HB VAL A 19 10.925 3.673 -4.168 1.00 0.60 H new ATOM 0 HG11 VAL A 19 9.456 4.274 -6.083 1.00 0.69 H new ATOM 0 HG12 VAL A 19 9.087 2.657 -5.437 1.00 0.69 H new ATOM 0 HG13 VAL A 19 8.029 4.034 -5.046 1.00 0.69 H new ATOM 0 HG21 VAL A 19 10.305 6.043 -4.639 1.00 0.74 H new ATOM 0 HG22 VAL A 19 8.928 5.888 -3.521 1.00 0.74 H new ATOM 0 HG23 VAL A 19 10.593 5.761 -2.906 1.00 0.74 H new ATOM 266 N HIS A 20 10.751 1.288 -3.062 1.00 0.50 N ATOM 267 CA HIS A 20 10.978 -0.111 -3.321 1.00 0.52 C ATOM 268 C HIS A 20 10.687 -0.989 -2.099 1.00 0.50 C ATOM 269 O HIS A 20 10.204 -2.108 -2.287 1.00 0.56 O ATOM 270 CB HIS A 20 12.316 -0.314 -4.034 1.00 0.59 C ATOM 271 CG HIS A 20 13.586 0.160 -3.378 1.00 0.65 C ATOM 272 ND1 HIS A 20 14.669 0.666 -4.062 1.00 0.80 N ATOM 273 CD2 HIS A 20 14.010 -0.138 -2.112 1.00 0.67 C ATOM 274 CE1 HIS A 20 15.719 0.671 -3.222 1.00 0.88 C ATOM 275 NE2 HIS A 20 15.371 0.173 -2.027 1.00 0.81 N ATOM 0 H HIS A 20 11.597 1.855 -3.011 1.00 0.50 H new ATOM 0 HA HIS A 20 10.242 -0.482 -4.034 1.00 0.52 H new ATOM 0 HB2 HIS A 20 12.426 -1.382 -4.224 1.00 0.59 H new ATOM 0 HB3 HIS A 20 12.247 0.177 -5.004 1.00 0.59 H new ATOM 0 HD2 HIS A 20 13.401 -0.543 -1.317 1.00 0.67 H new ATOM 0 HE1 HIS A 20 16.707 1.027 -3.475 1.00 0.88 H new ATOM 0 HE2 HIS A 20 15.978 0.046 -1.217 1.00 0.81 H new ATOM 283 N LYS A 21 10.894 -0.491 -0.865 1.00 0.51 N ATOM 284 CA LYS A 21 10.361 -1.148 0.330 1.00 0.54 C ATOM 285 C LYS A 21 8.884 -1.445 0.091 1.00 0.60 C ATOM 286 O LYS A 21 8.459 -2.594 0.191 1.00 0.71 O ATOM 287 CB LYS A 21 10.455 -0.272 1.596 1.00 0.73 C ATOM 288 CG LYS A 21 11.735 -0.415 2.433 1.00 0.93 C ATOM 289 CD LYS A 21 11.747 0.573 3.622 1.00 1.79 C ATOM 290 CE LYS A 21 10.696 0.254 4.709 1.00 2.82 C ATOM 291 NZ LYS A 21 10.540 1.334 5.712 1.00 3.93 N ATOM 0 H LYS A 21 11.424 0.360 -0.676 1.00 0.51 H new ATOM 0 HA LYS A 21 10.955 -2.047 0.496 1.00 0.54 H new ATOM 0 HB2 LYS A 21 10.357 0.772 1.297 1.00 0.73 H new ATOM 0 HB3 LYS A 21 9.602 -0.502 2.234 1.00 0.73 H new ATOM 0 HG2 LYS A 21 11.815 -1.436 2.806 1.00 0.93 H new ATOM 0 HG3 LYS A 21 12.606 -0.237 1.802 1.00 0.93 H new ATOM 0 HD2 LYS A 21 12.738 0.569 4.076 1.00 1.79 H new ATOM 0 HD3 LYS A 21 11.573 1.581 3.246 1.00 1.79 H new ATOM 0 HE2 LYS A 21 9.734 0.071 4.231 1.00 2.82 H new ATOM 0 HE3 LYS A 21 10.979 -0.667 5.219 1.00 2.82 H new ATOM 0 HZ1 LYS A 21 10.010 0.973 6.531 1.00 3.93 H new ATOM 0 HZ2 LYS A 21 11.478 1.658 6.022 1.00 3.93 H new ATOM 0 HZ3 LYS A 21 10.022 2.129 5.288 1.00 3.93 H new ATOM 305 N ILE A 22 8.102 -0.401 -0.188 1.00 0.58 N ATOM 306 CA ILE A 22 6.665 -0.534 -0.315 1.00 0.64 C ATOM 307 C ILE A 22 6.322 -1.488 -1.455 1.00 0.69 C ATOM 308 O ILE A 22 5.699 -2.514 -1.195 1.00 0.75 O ATOM 309 CB ILE A 22 5.991 0.843 -0.419 1.00 0.64 C ATOM 310 CG1 ILE A 22 6.112 1.533 0.946 1.00 0.47 C ATOM 311 CG2 ILE A 22 4.510 0.701 -0.797 1.00 1.10 C ATOM 312 CD1 ILE A 22 5.840 3.034 0.916 1.00 0.77 C ATOM 0 H ILE A 22 8.450 0.547 -0.329 1.00 0.58 H new ATOM 0 HA ILE A 22 6.257 -0.985 0.589 1.00 0.64 H new ATOM 0 HB ILE A 22 6.479 1.432 -1.196 1.00 0.64 H new ATOM 0 HG12 ILE A 22 5.416 1.063 1.641 1.00 0.47 H new ATOM 0 HG13 ILE A 22 7.115 1.365 1.338 1.00 0.47 H new ATOM 0 HG21 ILE A 22 4.055 1.689 -0.864 1.00 1.10 H new ATOM 0 HG22 ILE A 22 4.427 0.197 -1.760 1.00 1.10 H new ATOM 0 HG23 ILE A 22 3.995 0.116 -0.035 1.00 1.10 H new ATOM 0 HD11 ILE A 22 5.947 3.443 1.921 1.00 0.77 H new ATOM 0 HD12 ILE A 22 6.552 3.520 0.249 1.00 0.77 H new ATOM 0 HD13 ILE A 22 4.827 3.213 0.557 1.00 0.77 H new ATOM 324 N GLU A 23 6.712 -1.191 -2.699 1.00 0.70 N ATOM 325 CA GLU A 23 6.320 -2.044 -3.816 1.00 0.71 C ATOM 326 C GLU A 23 6.693 -3.504 -3.544 1.00 0.66 C ATOM 327 O GLU A 23 5.824 -4.379 -3.560 1.00 0.70 O ATOM 328 CB GLU A 23 6.907 -1.557 -5.144 1.00 0.79 C ATOM 329 CG GLU A 23 6.338 -0.196 -5.554 1.00 1.31 C ATOM 330 CD GLU A 23 6.628 0.093 -7.022 1.00 1.58 C ATOM 331 OE1 GLU A 23 7.791 0.446 -7.306 1.00 2.26 O ATOM 332 OE2 GLU A 23 5.687 -0.067 -7.834 1.00 2.59 O ATOM 0 H GLU A 23 7.285 -0.386 -2.951 1.00 0.70 H new ATOM 0 HA GLU A 23 5.236 -1.982 -3.908 1.00 0.71 H new ATOM 0 HB2 GLU A 23 7.991 -1.486 -5.058 1.00 0.79 H new ATOM 0 HB3 GLU A 23 6.697 -2.289 -5.924 1.00 0.79 H new ATOM 0 HG2 GLU A 23 5.262 -0.180 -5.381 1.00 1.31 H new ATOM 0 HG3 GLU A 23 6.772 0.587 -4.932 1.00 1.31 H new ATOM 339 N SER A 24 7.971 -3.767 -3.252 1.00 0.64 N ATOM 340 CA SER A 24 8.445 -5.125 -3.022 1.00 0.68 C ATOM 341 C SER A 24 7.669 -5.770 -1.871 1.00 0.73 C ATOM 342 O SER A 24 7.092 -6.853 -2.008 1.00 0.95 O ATOM 343 CB SER A 24 9.954 -5.104 -2.743 1.00 0.72 C ATOM 344 OG SER A 24 10.460 -6.422 -2.657 1.00 1.53 O ATOM 0 H SER A 24 8.693 -3.051 -3.170 1.00 0.64 H new ATOM 0 HA SER A 24 8.272 -5.728 -3.913 1.00 0.68 H new ATOM 0 HB2 SER A 24 10.469 -4.561 -3.536 1.00 0.72 H new ATOM 0 HB3 SER A 24 10.150 -4.571 -1.813 1.00 0.72 H new ATOM 0 HG SER A 24 11.424 -6.392 -2.481 1.00 1.53 H new ATOM 350 N SER A 25 7.646 -5.104 -0.714 1.00 0.63 N ATOM 351 CA SER A 25 7.122 -5.717 0.489 1.00 0.65 C ATOM 352 C SER A 25 5.619 -5.960 0.368 1.00 0.64 C ATOM 353 O SER A 25 5.145 -7.016 0.790 1.00 0.73 O ATOM 354 CB SER A 25 7.490 -4.895 1.726 1.00 0.70 C ATOM 355 OG SER A 25 7.292 -5.653 2.909 1.00 0.93 O ATOM 0 H SER A 25 7.983 -4.149 -0.594 1.00 0.63 H new ATOM 0 HA SER A 25 7.588 -6.695 0.613 1.00 0.65 H new ATOM 0 HB2 SER A 25 8.531 -4.578 1.661 1.00 0.70 H new ATOM 0 HB3 SER A 25 6.883 -3.991 1.762 1.00 0.70 H new ATOM 0 HG SER A 25 8.151 -6.009 3.217 1.00 0.93 H new ATOM 361 N LEU A 26 4.875 -5.017 -0.208 1.00 0.62 N ATOM 362 CA LEU A 26 3.448 -5.203 -0.406 1.00 0.72 C ATOM 363 C LEU A 26 3.204 -6.316 -1.424 1.00 0.83 C ATOM 364 O LEU A 26 2.352 -7.169 -1.191 1.00 0.95 O ATOM 365 CB LEU A 26 2.769 -3.894 -0.819 1.00 0.80 C ATOM 366 CG LEU A 26 2.394 -2.974 0.357 1.00 0.88 C ATOM 367 CD1 LEU A 26 1.214 -3.518 1.169 1.00 1.75 C ATOM 368 CD2 LEU A 26 3.542 -2.693 1.330 1.00 1.66 C ATOM 0 H LEU A 26 5.238 -4.124 -0.542 1.00 0.62 H new ATOM 0 HA LEU A 26 2.999 -5.504 0.541 1.00 0.72 H new ATOM 0 HB2 LEU A 26 3.433 -3.351 -1.492 1.00 0.80 H new ATOM 0 HB3 LEU A 26 1.866 -4.129 -1.383 1.00 0.80 H new ATOM 0 HG LEU A 26 2.122 -2.038 -0.132 1.00 0.88 H new ATOM 0 HD11 LEU A 26 0.989 -2.833 1.987 1.00 1.75 H new ATOM 0 HD12 LEU A 26 0.341 -3.612 0.523 1.00 1.75 H new ATOM 0 HD13 LEU A 26 1.472 -4.496 1.575 1.00 1.75 H new ATOM 0 HD21 LEU A 26 3.191 -2.038 2.127 1.00 1.66 H new ATOM 0 HD22 LEU A 26 3.893 -3.631 1.760 1.00 1.66 H new ATOM 0 HD23 LEU A 26 4.361 -2.210 0.797 1.00 1.66 H new ATOM 380 N THR A 27 3.966 -6.355 -2.521 1.00 0.81 N ATOM 381 CA THR A 27 3.837 -7.427 -3.507 1.00 0.92 C ATOM 382 C THR A 27 3.998 -8.822 -2.879 1.00 1.18 C ATOM 383 O THR A 27 3.420 -9.785 -3.377 1.00 2.38 O ATOM 384 CB THR A 27 4.786 -7.185 -4.694 1.00 0.91 C ATOM 385 OG1 THR A 27 4.455 -5.951 -5.296 1.00 2.36 O ATOM 386 CG2 THR A 27 4.659 -8.258 -5.779 1.00 1.58 C ATOM 0 H THR A 27 4.676 -5.658 -2.746 1.00 0.81 H new ATOM 0 HA THR A 27 2.820 -7.406 -3.898 1.00 0.92 H new ATOM 0 HB THR A 27 5.802 -7.202 -4.299 1.00 0.91 H new ATOM 0 HG1 THR A 27 4.748 -5.216 -4.718 1.00 2.36 H new ATOM 0 HG21 THR A 27 5.351 -8.037 -6.592 1.00 1.58 H new ATOM 0 HG22 THR A 27 4.896 -9.234 -5.355 1.00 1.58 H new ATOM 0 HG23 THR A 27 3.639 -8.268 -6.163 1.00 1.58 H new ATOM 394 N LYS A 28 4.739 -8.957 -1.768 1.00 1.18 N ATOM 395 CA LYS A 28 4.819 -10.225 -1.048 1.00 1.24 C ATOM 396 C LYS A 28 3.431 -10.736 -0.615 1.00 1.10 C ATOM 397 O LYS A 28 3.242 -11.947 -0.502 1.00 1.15 O ATOM 398 CB LYS A 28 5.853 -10.145 0.099 1.00 1.47 C ATOM 399 CG LYS A 28 5.325 -10.630 1.463 1.00 1.99 C ATOM 400 CD LYS A 28 6.381 -10.662 2.582 1.00 2.49 C ATOM 401 CE LYS A 28 6.444 -9.366 3.402 1.00 3.17 C ATOM 402 NZ LYS A 28 6.733 -8.200 2.554 1.00 3.83 N ATOM 0 H LYS A 28 5.287 -8.203 -1.355 1.00 1.18 H new ATOM 0 HA LYS A 28 5.190 -10.987 -1.734 1.00 1.24 H new ATOM 0 HB2 LYS A 28 6.726 -10.739 -0.172 1.00 1.47 H new ATOM 0 HB3 LYS A 28 6.189 -9.113 0.199 1.00 1.47 H new ATOM 0 HG2 LYS A 28 4.506 -9.981 1.773 1.00 1.99 H new ATOM 0 HG3 LYS A 28 4.911 -11.631 1.343 1.00 1.99 H new ATOM 0 HD2 LYS A 28 6.165 -11.495 3.251 1.00 2.49 H new ATOM 0 HD3 LYS A 28 7.360 -10.852 2.142 1.00 2.49 H new ATOM 0 HE2 LYS A 28 5.496 -9.215 3.918 1.00 3.17 H new ATOM 0 HE3 LYS A 28 7.213 -9.458 4.169 1.00 3.17 H new ATOM 0 HZ1 LYS A 28 6.885 -7.364 3.154 1.00 3.83 H new ATOM 0 HZ2 LYS A 28 7.588 -8.383 1.992 1.00 3.83 H new ATOM 0 HZ3 LYS A 28 5.930 -8.027 1.916 1.00 3.83 H new ATOM 416 N HIS A 29 2.464 -9.853 -0.338 1.00 1.09 N ATOM 417 CA HIS A 29 1.104 -10.299 -0.067 1.00 1.28 C ATOM 418 C HIS A 29 0.544 -10.965 -1.324 1.00 1.25 C ATOM 419 O HIS A 29 0.193 -10.278 -2.277 1.00 1.65 O ATOM 420 CB HIS A 29 0.180 -9.136 0.313 1.00 1.79 C ATOM 421 CG HIS A 29 0.471 -8.445 1.616 1.00 0.91 C ATOM 422 ND1 HIS A 29 0.069 -8.874 2.862 1.00 2.05 N ATOM 423 CD2 HIS A 29 0.785 -7.119 1.725 1.00 0.98 C ATOM 424 CE1 HIS A 29 0.150 -7.825 3.698 1.00 2.89 C ATOM 425 NE2 HIS A 29 0.577 -6.731 3.048 1.00 2.08 N ATOM 0 H HIS A 29 2.600 -8.843 -0.297 1.00 1.09 H new ATOM 0 HA HIS A 29 1.143 -10.993 0.772 1.00 1.28 H new ATOM 0 HB2 HIS A 29 0.222 -8.393 -0.484 1.00 1.79 H new ATOM 0 HB3 HIS A 29 -0.843 -9.510 0.347 1.00 1.79 H new ATOM 0 HD1 HIS A 29 -0.235 -9.817 3.106 1.00 2.05 H new ATOM 0 HD2 HIS A 29 1.134 -6.482 0.925 1.00 0.98 H new ATOM 0 HE1 HIS A 29 -0.095 -7.858 4.749 1.00 2.89 H new ATOM 433 N ARG A 30 0.389 -12.289 -1.297 1.00 1.21 N ATOM 434 CA ARG A 30 -0.224 -13.059 -2.375 1.00 1.50 C ATOM 435 C ARG A 30 -1.557 -12.452 -2.843 1.00 1.71 C ATOM 436 O ARG A 30 -1.904 -12.559 -4.015 1.00 3.43 O ATOM 437 CB ARG A 30 -0.399 -14.509 -1.898 1.00 1.80 C ATOM 438 CG ARG A 30 -0.904 -15.435 -3.011 1.00 2.56 C ATOM 439 CD ARG A 30 -0.966 -16.881 -2.507 1.00 2.80 C ATOM 440 NE ARG A 30 -1.490 -17.779 -3.548 1.00 4.00 N ATOM 441 CZ ARG A 30 -1.667 -19.103 -3.402 1.00 4.76 C ATOM 442 NH1 ARG A 30 -1.349 -19.691 -2.243 1.00 4.65 N ATOM 443 NH2 ARG A 30 -2.160 -19.829 -4.412 1.00 6.19 N ATOM 0 H ARG A 30 0.692 -12.864 -0.511 1.00 1.21 H new ATOM 0 HA ARG A 30 0.432 -13.034 -3.245 1.00 1.50 H new ATOM 0 HB2 ARG A 30 0.554 -14.883 -1.523 1.00 1.80 H new ATOM 0 HB3 ARG A 30 -1.101 -14.532 -1.064 1.00 1.80 H new ATOM 0 HG2 ARG A 30 -1.892 -15.114 -3.341 1.00 2.56 H new ATOM 0 HG3 ARG A 30 -0.243 -15.371 -3.875 1.00 2.56 H new ATOM 0 HD2 ARG A 30 0.029 -17.208 -2.206 1.00 2.80 H new ATOM 0 HD3 ARG A 30 -1.600 -16.935 -1.622 1.00 2.80 H new ATOM 0 HE ARG A 30 -1.737 -17.366 -4.447 1.00 4.00 H new ATOM 0 HH11 ARG A 30 -0.974 -19.135 -1.475 1.00 4.65 H new ATOM 0 HH12 ARG A 30 -1.482 -20.696 -2.128 1.00 4.65 H new ATOM 0 HH21 ARG A 30 -2.402 -19.378 -5.294 1.00 6.19 H new ATOM 0 HH22 ARG A 30 -2.294 -20.834 -4.300 1.00 6.19 H new ATOM 457 N GLY A 31 -2.318 -11.844 -1.926 1.00 0.81 N ATOM 458 CA GLY A 31 -3.603 -11.233 -2.239 1.00 0.78 C ATOM 459 C GLY A 31 -3.495 -9.902 -2.983 1.00 0.56 C ATOM 460 O GLY A 31 -4.491 -9.465 -3.557 1.00 0.62 O ATOM 0 H GLY A 31 -2.054 -11.765 -0.944 1.00 0.81 H new ATOM 0 HA2 GLY A 31 -4.187 -11.928 -2.842 1.00 0.78 H new ATOM 0 HA3 GLY A 31 -4.154 -11.075 -1.312 1.00 0.78 H new ATOM 464 N ILE A 32 -2.333 -9.237 -2.956 1.00 0.58 N ATOM 465 CA ILE A 32 -2.103 -8.050 -3.765 1.00 0.55 C ATOM 466 C ILE A 32 -1.789 -8.507 -5.181 1.00 0.64 C ATOM 467 O ILE A 32 -1.001 -9.430 -5.379 1.00 0.82 O ATOM 468 CB ILE A 32 -1.010 -7.135 -3.166 1.00 0.66 C ATOM 469 CG1 ILE A 32 -1.721 -6.002 -2.409 1.00 0.92 C ATOM 470 CG2 ILE A 32 -0.056 -6.526 -4.207 1.00 1.51 C ATOM 471 CD1 ILE A 32 -0.755 -5.144 -1.598 1.00 2.10 C ATOM 0 H ILE A 32 -1.538 -9.509 -2.377 1.00 0.58 H new ATOM 0 HA ILE A 32 -2.998 -7.428 -3.780 1.00 0.55 H new ATOM 0 HB ILE A 32 -0.387 -7.750 -2.517 1.00 0.66 H new ATOM 0 HG12 ILE A 32 -2.252 -5.371 -3.122 1.00 0.92 H new ATOM 0 HG13 ILE A 32 -2.470 -6.429 -1.742 1.00 0.92 H new ATOM 0 HG21 ILE A 32 0.679 -5.898 -3.703 1.00 1.51 H new ATOM 0 HG22 ILE A 32 0.456 -7.325 -4.743 1.00 1.51 H new ATOM 0 HG23 ILE A 32 -0.626 -5.922 -4.913 1.00 1.51 H new ATOM 0 HD11 ILE A 32 -1.309 -4.359 -1.083 1.00 2.10 H new ATOM 0 HD12 ILE A 32 -0.243 -5.767 -0.865 1.00 2.10 H new ATOM 0 HD13 ILE A 32 -0.021 -4.692 -2.266 1.00 2.10 H new ATOM 483 N LEU A 33 -2.399 -7.838 -6.156 1.00 0.64 N ATOM 484 CA LEU A 33 -2.110 -8.046 -7.560 1.00 0.75 C ATOM 485 C LEU A 33 -1.144 -6.966 -8.057 1.00 0.78 C ATOM 486 O LEU A 33 -0.279 -7.278 -8.871 1.00 0.90 O ATOM 487 CB LEU A 33 -3.416 -8.219 -8.349 1.00 0.82 C ATOM 488 CG LEU A 33 -4.249 -6.941 -8.518 1.00 1.77 C ATOM 489 CD1 LEU A 33 -4.034 -6.315 -9.900 1.00 2.60 C ATOM 490 CD2 LEU A 33 -5.735 -7.253 -8.310 1.00 2.65 C ATOM 0 H LEU A 33 -3.114 -7.131 -5.985 1.00 0.64 H new ATOM 0 HA LEU A 33 -1.577 -8.982 -7.727 1.00 0.75 H new ATOM 0 HB2 LEU A 33 -3.176 -8.611 -9.337 1.00 0.82 H new ATOM 0 HB3 LEU A 33 -4.028 -8.969 -7.849 1.00 0.82 H new ATOM 0 HG LEU A 33 -3.921 -6.222 -7.767 1.00 1.77 H new ATOM 0 HD11 LEU A 33 -4.638 -5.412 -9.988 1.00 2.60 H new ATOM 0 HD12 LEU A 33 -2.981 -6.061 -10.025 1.00 2.60 H new ATOM 0 HD13 LEU A 33 -4.330 -7.026 -10.671 1.00 2.60 H new ATOM 0 HD21 LEU A 33 -6.319 -6.341 -8.432 1.00 2.65 H new ATOM 0 HD22 LEU A 33 -6.058 -7.991 -9.044 1.00 2.65 H new ATOM 0 HD23 LEU A 33 -5.886 -7.649 -7.306 1.00 2.65 H new ATOM 502 N TYR A 34 -1.215 -5.726 -7.540 1.00 0.72 N ATOM 503 CA TYR A 34 -0.102 -4.786 -7.678 1.00 0.77 C ATOM 504 C TYR A 34 -0.181 -3.729 -6.573 1.00 0.71 C ATOM 505 O TYR A 34 -1.280 -3.348 -6.179 1.00 0.80 O ATOM 506 CB TYR A 34 -0.103 -4.154 -9.081 1.00 1.00 C ATOM 507 CG TYR A 34 1.007 -3.156 -9.375 1.00 1.22 C ATOM 508 CD1 TYR A 34 2.332 -3.386 -8.948 1.00 2.50 C ATOM 509 CD2 TYR A 34 0.718 -2.003 -10.127 1.00 2.16 C ATOM 510 CE1 TYR A 34 3.299 -2.373 -9.078 1.00 2.80 C ATOM 511 CE2 TYR A 34 1.716 -1.038 -10.344 1.00 2.33 C ATOM 512 CZ TYR A 34 2.965 -1.166 -9.715 1.00 1.97 C ATOM 513 OH TYR A 34 3.799 -0.088 -9.676 1.00 2.51 O ATOM 0 H TYR A 34 -2.020 -5.361 -7.032 1.00 0.72 H new ATOM 0 HA TYR A 34 0.842 -5.319 -7.567 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.045 -4.956 -9.817 1.00 1.00 H new ATOM 0 HB3 TYR A 34 -1.060 -3.654 -9.230 1.00 1.00 H new ATOM 0 HD1 TYR A 34 2.604 -4.340 -8.521 1.00 2.50 H new ATOM 0 HD2 TYR A 34 -0.271 -1.859 -10.537 1.00 2.16 H new ATOM 0 HE1 TYR A 34 4.295 -2.522 -8.689 1.00 2.80 H new ATOM 0 HE2 TYR A 34 1.523 -0.198 -10.995 1.00 2.33 H new ATOM 0 HH TYR A 34 4.254 -0.058 -8.808 1.00 2.51 H new ATOM 523 N CYS A 35 0.966 -3.247 -6.080 1.00 0.80 N ATOM 524 CA CYS A 35 1.058 -2.027 -5.284 1.00 0.82 C ATOM 525 C CYS A 35 1.819 -1.002 -6.110 1.00 0.92 C ATOM 526 O CYS A 35 3.006 -1.198 -6.344 1.00 1.55 O ATOM 527 CB CYS A 35 1.819 -2.260 -3.977 1.00 0.95 C ATOM 528 SG CYS A 35 2.088 -0.654 -3.190 1.00 2.51 S ATOM 0 H CYS A 35 1.866 -3.703 -6.227 1.00 0.80 H new ATOM 0 HA CYS A 35 0.053 -1.689 -5.032 1.00 0.82 H new ATOM 0 HB2 CYS A 35 1.251 -2.917 -3.318 1.00 0.95 H new ATOM 0 HB3 CYS A 35 2.772 -2.752 -4.174 1.00 0.95 H new ATOM 0 HG CYS A 35 2.333 -0.826 -1.925 1.00 2.51 H new ATOM 534 N SER A 36 1.155 0.069 -6.549 1.00 0.66 N ATOM 535 CA SER A 36 1.822 1.191 -7.193 1.00 0.95 C ATOM 536 C SER A 36 1.916 2.323 -6.178 1.00 0.73 C ATOM 537 O SER A 36 0.936 3.039 -5.962 1.00 0.83 O ATOM 538 CB SER A 36 1.067 1.614 -8.462 1.00 1.53 C ATOM 539 OG SER A 36 1.979 2.071 -9.443 1.00 1.94 O ATOM 0 H SER A 36 0.144 0.178 -6.466 1.00 0.66 H new ATOM 0 HA SER A 36 2.826 0.911 -7.512 1.00 0.95 H new ATOM 0 HB2 SER A 36 0.494 0.772 -8.851 1.00 1.53 H new ATOM 0 HB3 SER A 36 0.353 2.402 -8.224 1.00 1.53 H new ATOM 0 HG SER A 36 2.634 1.368 -9.633 1.00 1.94 H new ATOM 545 N VAL A 37 3.071 2.468 -5.523 1.00 0.66 N ATOM 546 CA VAL A 37 3.340 3.621 -4.688 1.00 0.50 C ATOM 547 C VAL A 37 3.970 4.742 -5.516 1.00 0.70 C ATOM 548 O VAL A 37 4.733 4.466 -6.440 1.00 1.07 O ATOM 549 CB VAL A 37 4.191 3.176 -3.493 1.00 0.52 C ATOM 550 CG1 VAL A 37 5.679 3.129 -3.833 1.00 1.87 C ATOM 551 CG2 VAL A 37 3.969 4.086 -2.289 1.00 1.58 C ATOM 0 H VAL A 37 3.833 1.792 -5.561 1.00 0.66 H new ATOM 0 HA VAL A 37 2.416 4.039 -4.288 1.00 0.50 H new ATOM 0 HB VAL A 37 3.868 2.166 -3.242 1.00 0.52 H new ATOM 0 HG11 VAL A 37 6.243 2.809 -2.957 1.00 1.87 H new ATOM 0 HG12 VAL A 37 5.844 2.424 -4.648 1.00 1.87 H new ATOM 0 HG13 VAL A 37 6.014 4.121 -4.137 1.00 1.87 H new ATOM 0 HG21 VAL A 37 4.586 3.746 -1.457 1.00 1.58 H new ATOM 0 HG22 VAL A 37 4.244 5.108 -2.550 1.00 1.58 H new ATOM 0 HG23 VAL A 37 2.919 4.055 -1.998 1.00 1.58 H new ATOM 561 N ALA A 38 3.678 6.006 -5.191 1.00 0.58 N ATOM 562 CA ALA A 38 4.382 7.131 -5.796 1.00 0.65 C ATOM 563 C ALA A 38 4.502 8.296 -4.823 1.00 0.72 C ATOM 564 O ALA A 38 3.514 8.730 -4.233 1.00 0.83 O ATOM 565 CB ALA A 38 3.710 7.592 -7.084 1.00 0.74 C ATOM 0 H ALA A 38 2.961 6.270 -4.515 1.00 0.58 H new ATOM 0 HA ALA A 38 5.384 6.780 -6.044 1.00 0.65 H new ATOM 0 HB1 ALA A 38 4.265 8.431 -7.504 1.00 0.74 H new ATOM 0 HB2 ALA A 38 3.696 6.771 -7.801 1.00 0.74 H new ATOM 0 HB3 ALA A 38 2.688 7.904 -6.870 1.00 0.74 H new ATOM 571 N LEU A 39 5.725 8.812 -4.691 1.00 0.72 N ATOM 572 CA LEU A 39 6.119 9.767 -3.658 1.00 0.72 C ATOM 573 C LEU A 39 5.540 11.163 -3.881 1.00 0.69 C ATOM 574 O LEU A 39 5.366 11.913 -2.926 1.00 0.65 O ATOM 575 CB LEU A 39 7.650 9.776 -3.507 1.00 0.87 C ATOM 576 CG LEU A 39 8.422 10.333 -4.719 1.00 1.29 C ATOM 577 CD1 LEU A 39 8.714 11.833 -4.571 1.00 2.12 C ATOM 578 CD2 LEU A 39 9.760 9.594 -4.855 1.00 1.87 C ATOM 0 H LEU A 39 6.491 8.569 -5.320 1.00 0.72 H new ATOM 0 HA LEU A 39 5.686 9.435 -2.715 1.00 0.72 H new ATOM 0 HB2 LEU A 39 7.910 10.366 -2.628 1.00 0.87 H new ATOM 0 HB3 LEU A 39 7.987 8.757 -3.318 1.00 0.87 H new ATOM 0 HG LEU A 39 7.799 10.184 -5.601 1.00 1.29 H new ATOM 0 HD11 LEU A 39 9.259 12.186 -5.446 1.00 2.12 H new ATOM 0 HD12 LEU A 39 7.775 12.380 -4.484 1.00 2.12 H new ATOM 0 HD13 LEU A 39 9.315 12.000 -3.677 1.00 2.12 H new ATOM 0 HD21 LEU A 39 10.307 9.987 -5.712 1.00 1.87 H new ATOM 0 HD22 LEU A 39 10.350 9.740 -3.950 1.00 1.87 H new ATOM 0 HD23 LEU A 39 9.575 8.530 -5.000 1.00 1.87 H new ATOM 590 N ALA A 40 5.234 11.521 -5.133 1.00 0.80 N ATOM 591 CA ALA A 40 4.702 12.839 -5.472 1.00 0.89 C ATOM 592 C ALA A 40 3.470 13.173 -4.626 1.00 0.77 C ATOM 593 O ALA A 40 3.329 14.286 -4.128 1.00 0.87 O ATOM 594 CB ALA A 40 4.371 12.887 -6.966 1.00 1.11 C ATOM 0 H ALA A 40 5.349 10.904 -5.937 1.00 0.80 H new ATOM 0 HA ALA A 40 5.459 13.591 -5.251 1.00 0.89 H new ATOM 0 HB1 ALA A 40 3.974 13.870 -7.219 1.00 1.11 H new ATOM 0 HB2 ALA A 40 5.275 12.701 -7.545 1.00 1.11 H new ATOM 0 HB3 ALA A 40 3.628 12.125 -7.199 1.00 1.11 H new ATOM 600 N THR A 41 2.581 12.189 -4.471 1.00 0.70 N ATOM 601 CA THR A 41 1.419 12.255 -3.596 1.00 0.72 C ATOM 602 C THR A 41 1.692 11.480 -2.300 1.00 0.54 C ATOM 603 O THR A 41 1.209 11.873 -1.239 1.00 1.09 O ATOM 604 CB THR A 41 0.163 11.809 -4.370 1.00 1.07 C ATOM 605 OG1 THR A 41 -0.900 11.517 -3.487 1.00 2.22 O ATOM 606 CG2 THR A 41 0.397 10.614 -5.303 1.00 1.92 C ATOM 0 H THR A 41 2.656 11.301 -4.967 1.00 0.70 H new ATOM 0 HA THR A 41 1.223 13.280 -3.281 1.00 0.72 H new ATOM 0 HB THR A 41 -0.099 12.657 -5.002 1.00 1.07 H new ATOM 0 HG1 THR A 41 -1.749 11.551 -3.975 1.00 2.22 H new ATOM 0 HG21 THR A 41 -0.534 10.361 -5.811 1.00 1.92 H new ATOM 0 HG22 THR A 41 1.155 10.873 -6.042 1.00 1.92 H new ATOM 0 HG23 THR A 41 0.736 9.758 -4.720 1.00 1.92 H new ATOM 614 N ASN A 42 2.497 10.414 -2.372 1.00 0.92 N ATOM 615 CA ASN A 42 2.760 9.433 -1.319 1.00 0.92 C ATOM 616 C ASN A 42 1.572 8.486 -1.199 1.00 0.86 C ATOM 617 O ASN A 42 1.292 7.981 -0.119 1.00 0.99 O ATOM 618 CB ASN A 42 3.145 10.043 0.041 1.00 0.98 C ATOM 619 CG ASN A 42 4.256 11.076 -0.070 1.00 1.11 C ATOM 620 OD1 ASN A 42 5.434 10.747 0.017 1.00 2.33 O ATOM 621 ND2 ASN A 42 3.879 12.336 -0.261 1.00 2.24 N ATOM 0 H ASN A 42 3.015 10.202 -3.225 1.00 0.92 H new ATOM 0 HA ASN A 42 3.647 8.876 -1.622 1.00 0.92 H new ATOM 0 HB2 ASN A 42 2.266 10.508 0.487 1.00 0.98 H new ATOM 0 HB3 ASN A 42 3.461 9.247 0.715 1.00 0.98 H new ATOM 0 HD21 ASN A 42 4.581 13.072 -0.341 1.00 2.24 H new ATOM 0 HD22 ASN A 42 2.888 12.567 -0.328 1.00 2.24 H new ATOM 628 N LYS A 43 0.873 8.232 -2.308 1.00 1.01 N ATOM 629 CA LYS A 43 -0.161 7.220 -2.373 1.00 0.91 C ATOM 630 C LYS A 43 0.528 5.878 -2.530 1.00 0.59 C ATOM 631 O LYS A 43 1.528 5.804 -3.241 1.00 0.62 O ATOM 632 CB LYS A 43 -1.059 7.444 -3.595 1.00 1.24 C ATOM 633 CG LYS A 43 -2.021 8.626 -3.421 1.00 2.00 C ATOM 634 CD LYS A 43 -3.473 8.134 -3.428 1.00 2.85 C ATOM 635 CE LYS A 43 -4.443 9.329 -3.400 1.00 3.24 C ATOM 636 NZ LYS A 43 -5.843 8.968 -3.741 1.00 4.00 N ATOM 0 H LYS A 43 1.016 8.731 -3.186 1.00 1.01 H new ATOM 0 HA LYS A 43 -0.774 7.262 -1.473 1.00 0.91 H new ATOM 0 HB2 LYS A 43 -0.435 7.616 -4.472 1.00 1.24 H new ATOM 0 HB3 LYS A 43 -1.635 6.539 -3.787 1.00 1.24 H new ATOM 0 HG2 LYS A 43 -1.809 9.142 -2.484 1.00 2.00 H new ATOM 0 HG3 LYS A 43 -1.870 9.348 -4.224 1.00 2.00 H new ATOM 0 HD2 LYS A 43 -3.655 7.530 -4.317 1.00 2.85 H new ATOM 0 HD3 LYS A 43 -3.651 7.492 -2.565 1.00 2.85 H new ATOM 0 HE2 LYS A 43 -4.424 9.778 -2.407 1.00 3.24 H new ATOM 0 HE3 LYS A 43 -4.092 10.088 -4.100 1.00 3.24 H new ATOM 0 HZ1 LYS A 43 -6.295 9.762 -4.238 1.00 4.00 H new ATOM 0 HZ2 LYS A 43 -5.845 8.129 -4.356 1.00 4.00 H new ATOM 0 HZ3 LYS A 43 -6.370 8.760 -2.869 1.00 4.00 H new ATOM 650 N ALA A 44 -0.054 4.844 -1.923 1.00 0.52 N ATOM 651 CA ALA A 44 0.036 3.471 -2.382 1.00 0.54 C ATOM 652 C ALA A 44 -1.316 3.097 -2.964 1.00 0.58 C ATOM 653 O ALA A 44 -2.288 2.954 -2.221 1.00 0.81 O ATOM 654 CB ALA A 44 0.407 2.526 -1.244 1.00 0.58 C ATOM 0 H ALA A 44 -0.614 4.948 -1.077 1.00 0.52 H new ATOM 0 HA ALA A 44 0.820 3.382 -3.134 1.00 0.54 H new ATOM 0 HB1 ALA A 44 0.466 1.506 -1.623 1.00 0.58 H new ATOM 0 HB2 ALA A 44 1.373 2.816 -0.831 1.00 0.58 H new ATOM 0 HB3 ALA A 44 -0.352 2.580 -0.464 1.00 0.58 H new ATOM 660 N HIS A 45 -1.372 2.942 -4.287 1.00 0.51 N ATOM 661 CA HIS A 45 -2.465 2.334 -4.978 1.00 0.52 C ATOM 662 C HIS A 45 -2.256 0.834 -4.840 1.00 0.52 C ATOM 663 O HIS A 45 -1.525 0.223 -5.619 1.00 0.87 O ATOM 664 CB HIS A 45 -2.435 2.794 -6.435 1.00 0.70 C ATOM 665 CG HIS A 45 -3.749 2.551 -7.102 1.00 1.45 C ATOM 666 ND1 HIS A 45 -4.595 3.556 -7.487 1.00 2.68 N ATOM 667 CD2 HIS A 45 -4.496 1.410 -6.975 1.00 1.90 C ATOM 668 CE1 HIS A 45 -5.816 3.029 -7.596 1.00 3.86 C ATOM 669 NE2 HIS A 45 -5.814 1.719 -7.307 1.00 3.42 N ATOM 0 H HIS A 45 -0.626 3.252 -4.909 1.00 0.51 H new ATOM 0 HA HIS A 45 -3.441 2.609 -4.577 1.00 0.52 H new ATOM 0 HB2 HIS A 45 -2.192 3.856 -6.480 1.00 0.70 H new ATOM 0 HB3 HIS A 45 -1.648 2.264 -6.971 1.00 0.70 H new ATOM 0 HD1 HIS A 45 -4.339 4.528 -7.659 1.00 2.68 H new ATOM 0 HD2 HIS A 45 -4.128 0.441 -6.671 1.00 1.90 H new ATOM 0 HE1 HIS A 45 -6.696 3.587 -7.881 1.00 3.86 H new ATOM 677 N ILE A 46 -2.890 0.257 -3.829 1.00 0.47 N ATOM 678 CA ILE A 46 -2.876 -1.164 -3.573 1.00 0.51 C ATOM 679 C ILE A 46 -4.084 -1.762 -4.283 1.00 0.58 C ATOM 680 O ILE A 46 -5.227 -1.421 -3.975 1.00 0.76 O ATOM 681 CB ILE A 46 -2.817 -1.371 -2.052 1.00 0.59 C ATOM 682 CG1 ILE A 46 -1.329 -1.242 -1.670 1.00 0.49 C ATOM 683 CG2 ILE A 46 -3.420 -2.706 -1.605 1.00 1.05 C ATOM 684 CD1 ILE A 46 -1.085 -1.024 -0.181 1.00 1.52 C ATOM 0 H ILE A 46 -3.440 0.784 -3.151 1.00 0.47 H new ATOM 0 HA ILE A 46 -2.004 -1.685 -3.969 1.00 0.51 H new ATOM 0 HB ILE A 46 -3.425 -0.626 -1.538 1.00 0.59 H new ATOM 0 HG12 ILE A 46 -0.805 -2.144 -1.985 1.00 0.49 H new ATOM 0 HG13 ILE A 46 -0.894 -0.410 -2.224 1.00 0.49 H new ATOM 0 HG21 ILE A 46 -3.348 -2.793 -0.521 1.00 1.05 H new ATOM 0 HG22 ILE A 46 -4.467 -2.751 -1.904 1.00 1.05 H new ATOM 0 HG23 ILE A 46 -2.874 -3.526 -2.071 1.00 1.05 H new ATOM 0 HD11 ILE A 46 -0.014 -0.944 0.004 1.00 1.52 H new ATOM 0 HD12 ILE A 46 -1.578 -0.106 0.138 1.00 1.52 H new ATOM 0 HD13 ILE A 46 -1.488 -1.867 0.381 1.00 1.52 H new ATOM 696 N LYS A 47 -3.811 -2.624 -5.264 1.00 0.56 N ATOM 697 CA LYS A 47 -4.793 -3.395 -5.992 1.00 0.58 C ATOM 698 C LYS A 47 -4.645 -4.837 -5.528 1.00 0.48 C ATOM 699 O LYS A 47 -3.529 -5.363 -5.498 1.00 0.76 O ATOM 700 CB LYS A 47 -4.553 -3.258 -7.497 1.00 0.79 C ATOM 701 CG LYS A 47 -4.845 -1.825 -7.972 1.00 1.15 C ATOM 702 CD LYS A 47 -5.574 -1.882 -9.325 1.00 1.64 C ATOM 703 CE LYS A 47 -6.222 -0.543 -9.703 1.00 2.44 C ATOM 704 NZ LYS A 47 -7.280 -0.721 -10.720 1.00 3.32 N ATOM 0 H LYS A 47 -2.857 -2.804 -5.578 1.00 0.56 H new ATOM 0 HA LYS A 47 -5.807 -3.043 -5.802 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -3.521 -3.519 -7.730 1.00 0.79 H new ATOM 0 HB3 LYS A 47 -5.189 -3.961 -8.036 1.00 0.79 H new ATOM 0 HG2 LYS A 47 -5.457 -1.303 -7.237 1.00 1.15 H new ATOM 0 HG3 LYS A 47 -3.915 -1.264 -8.069 1.00 1.15 H new ATOM 0 HD2 LYS A 47 -4.867 -2.172 -10.102 1.00 1.64 H new ATOM 0 HD3 LYS A 47 -6.341 -2.655 -9.288 1.00 1.64 H new ATOM 0 HE2 LYS A 47 -6.646 -0.079 -8.813 1.00 2.44 H new ATOM 0 HE3 LYS A 47 -5.460 0.136 -10.084 1.00 2.44 H new ATOM 0 HZ1 LYS A 47 -7.697 0.203 -10.953 1.00 3.32 H new ATOM 0 HZ2 LYS A 47 -6.870 -1.142 -11.578 1.00 3.32 H new ATOM 0 HZ3 LYS A 47 -8.019 -1.350 -10.346 1.00 3.32 H new ATOM 718 N TYR A 48 -5.752 -5.458 -5.124 1.00 0.83 N ATOM 719 CA TYR A 48 -5.744 -6.716 -4.399 1.00 0.81 C ATOM 720 C TYR A 48 -7.083 -7.419 -4.579 1.00 0.76 C ATOM 721 O TYR A 48 -8.020 -6.829 -5.114 1.00 0.99 O ATOM 722 CB TYR A 48 -5.462 -6.434 -2.914 1.00 0.86 C ATOM 723 CG TYR A 48 -6.594 -5.733 -2.189 1.00 0.89 C ATOM 724 CD1 TYR A 48 -6.847 -4.370 -2.422 1.00 1.89 C ATOM 725 CD2 TYR A 48 -7.451 -6.465 -1.351 1.00 2.12 C ATOM 726 CE1 TYR A 48 -7.983 -3.763 -1.866 1.00 2.02 C ATOM 727 CE2 TYR A 48 -8.524 -5.829 -0.710 1.00 2.26 C ATOM 728 CZ TYR A 48 -8.810 -4.484 -0.989 1.00 1.37 C ATOM 729 OH TYR A 48 -9.893 -3.886 -0.419 1.00 1.72 O ATOM 0 H TYR A 48 -6.689 -5.093 -5.296 1.00 0.83 H new ATOM 0 HA TYR A 48 -4.963 -7.371 -4.787 1.00 0.81 H new ATOM 0 HB2 TYR A 48 -5.252 -7.377 -2.410 1.00 0.86 H new ATOM 0 HB3 TYR A 48 -4.562 -5.824 -2.836 1.00 0.86 H new ATOM 0 HD1 TYR A 48 -6.167 -3.790 -3.029 1.00 1.89 H new ATOM 0 HD2 TYR A 48 -7.283 -7.521 -1.200 1.00 2.12 H new ATOM 0 HE1 TYR A 48 -8.222 -2.739 -2.113 1.00 2.02 H new ATOM 0 HE2 TYR A 48 -9.130 -6.374 -0.002 1.00 2.26 H new ATOM 0 HH TYR A 48 -10.355 -4.528 0.159 1.00 1.72 H new ATOM 739 N ASP A 49 -7.177 -8.663 -4.115 1.00 0.57 N ATOM 740 CA ASP A 49 -8.419 -9.433 -4.175 1.00 0.63 C ATOM 741 C ASP A 49 -9.184 -9.259 -2.856 1.00 0.60 C ATOM 742 O ASP A 49 -8.693 -9.695 -1.814 1.00 0.60 O ATOM 743 CB ASP A 49 -8.123 -10.911 -4.476 1.00 0.77 C ATOM 744 CG ASP A 49 -8.043 -11.177 -5.974 1.00 1.76 C ATOM 745 OD1 ASP A 49 -9.111 -11.065 -6.622 1.00 3.12 O ATOM 746 OD2 ASP A 49 -6.929 -11.481 -6.448 1.00 2.48 O ATOM 0 H ASP A 49 -6.398 -9.165 -3.688 1.00 0.57 H new ATOM 0 HA ASP A 49 -9.045 -9.062 -4.987 1.00 0.63 H new ATOM 0 HB2 ASP A 49 -7.182 -11.197 -4.005 1.00 0.77 H new ATOM 0 HB3 ASP A 49 -8.902 -11.535 -4.037 1.00 0.77 H new ATOM 751 N PRO A 50 -10.372 -8.626 -2.846 1.00 0.75 N ATOM 752 CA PRO A 50 -11.111 -8.324 -1.625 1.00 0.90 C ATOM 753 C PRO A 50 -11.869 -9.548 -1.089 1.00 0.95 C ATOM 754 O PRO A 50 -13.048 -9.460 -0.749 1.00 1.33 O ATOM 755 CB PRO A 50 -12.039 -7.168 -2.018 1.00 1.14 C ATOM 756 CG PRO A 50 -12.376 -7.501 -3.470 1.00 1.14 C ATOM 757 CD PRO A 50 -11.048 -8.046 -3.994 1.00 0.92 C ATOM 0 HA PRO A 50 -10.455 -8.047 -0.800 1.00 0.90 H new ATOM 0 HB2 PRO A 50 -12.930 -7.131 -1.392 1.00 1.14 H new ATOM 0 HB3 PRO A 50 -11.545 -6.201 -1.927 1.00 1.14 H new ATOM 0 HG2 PRO A 50 -13.176 -8.238 -3.543 1.00 1.14 H new ATOM 0 HG3 PRO A 50 -12.702 -6.621 -4.024 1.00 1.14 H new ATOM 0 HD2 PRO A 50 -11.212 -8.794 -4.769 1.00 0.92 H new ATOM 0 HD3 PRO A 50 -10.449 -7.252 -4.439 1.00 0.92 H new ATOM 765 N GLU A 51 -11.176 -10.684 -0.969 1.00 0.93 N ATOM 766 CA GLU A 51 -11.726 -11.945 -0.494 1.00 1.04 C ATOM 767 C GLU A 51 -10.622 -12.799 0.143 1.00 1.23 C ATOM 768 O GLU A 51 -10.701 -14.025 0.167 1.00 2.64 O ATOM 769 CB GLU A 51 -12.439 -12.640 -1.664 1.00 1.34 C ATOM 770 CG GLU A 51 -11.517 -12.861 -2.877 1.00 1.86 C ATOM 771 CD GLU A 51 -12.097 -12.281 -4.161 1.00 2.62 C ATOM 772 OE1 GLU A 51 -12.112 -11.037 -4.284 1.00 3.84 O ATOM 773 OE2 GLU A 51 -12.492 -13.065 -5.047 1.00 3.00 O ATOM 0 H GLU A 51 -10.187 -10.747 -1.209 1.00 0.93 H new ATOM 0 HA GLU A 51 -12.464 -11.779 0.290 1.00 1.04 H new ATOM 0 HB2 GLU A 51 -12.827 -13.602 -1.328 1.00 1.34 H new ATOM 0 HB3 GLU A 51 -13.296 -12.040 -1.969 1.00 1.34 H new ATOM 0 HG2 GLU A 51 -10.547 -12.404 -2.681 1.00 1.86 H new ATOM 0 HG3 GLU A 51 -11.345 -13.929 -3.009 1.00 1.86 H new ATOM 780 N ILE A 52 -9.586 -12.136 0.670 1.00 0.70 N ATOM 781 CA ILE A 52 -8.427 -12.757 1.293 1.00 0.87 C ATOM 782 C ILE A 52 -7.828 -11.788 2.301 1.00 0.79 C ATOM 783 O ILE A 52 -7.610 -12.152 3.453 1.00 1.04 O ATOM 784 CB ILE A 52 -7.435 -13.249 0.219 1.00 1.33 C ATOM 785 CG1 ILE A 52 -6.177 -13.932 0.775 1.00 1.55 C ATOM 786 CG2 ILE A 52 -7.100 -12.254 -0.899 1.00 3.40 C ATOM 787 CD1 ILE A 52 -5.075 -13.009 1.300 1.00 2.17 C ATOM 0 H ILE A 52 -9.537 -11.117 0.671 1.00 0.70 H new ATOM 0 HA ILE A 52 -8.715 -13.650 1.847 1.00 0.87 H new ATOM 0 HB ILE A 52 -8.022 -14.026 -0.271 1.00 1.33 H new ATOM 0 HG12 ILE A 52 -6.479 -14.597 1.584 1.00 1.55 H new ATOM 0 HG13 ILE A 52 -5.753 -14.557 -0.010 1.00 1.55 H new ATOM 0 HG21 ILE A 52 -6.395 -12.711 -1.593 1.00 3.40 H new ATOM 0 HG22 ILE A 52 -8.012 -11.986 -1.432 1.00 3.40 H new ATOM 0 HG23 ILE A 52 -6.655 -11.358 -0.467 1.00 3.40 H new ATOM 0 HD11 ILE A 52 -4.241 -13.609 1.665 1.00 2.17 H new ATOM 0 HD12 ILE A 52 -4.730 -12.360 0.495 1.00 2.17 H new ATOM 0 HD13 ILE A 52 -5.468 -12.400 2.114 1.00 2.17 H new ATOM 799 N ILE A 53 -7.572 -10.558 1.860 1.00 0.67 N ATOM 800 CA ILE A 53 -6.907 -9.532 2.642 1.00 0.69 C ATOM 801 C ILE A 53 -7.770 -8.273 2.622 1.00 0.62 C ATOM 802 O ILE A 53 -8.535 -8.091 1.676 1.00 0.65 O ATOM 803 CB ILE A 53 -5.508 -9.332 2.036 1.00 0.83 C ATOM 804 CG1 ILE A 53 -4.618 -8.610 3.038 1.00 1.08 C ATOM 805 CG2 ILE A 53 -5.527 -8.617 0.678 1.00 0.95 C ATOM 806 CD1 ILE A 53 -3.147 -8.693 2.647 1.00 1.11 C ATOM 0 H ILE A 53 -7.830 -10.245 0.924 1.00 0.67 H new ATOM 0 HA ILE A 53 -6.781 -9.806 3.689 1.00 0.69 H new ATOM 0 HB ILE A 53 -5.096 -10.320 1.832 1.00 0.83 H new ATOM 0 HG12 ILE A 53 -4.919 -7.564 3.104 1.00 1.08 H new ATOM 0 HG13 ILE A 53 -4.757 -9.045 4.028 1.00 1.08 H new ATOM 0 HG21 ILE A 53 -4.507 -8.509 0.309 1.00 0.95 H new ATOM 0 HG22 ILE A 53 -6.110 -9.202 -0.033 1.00 0.95 H new ATOM 0 HG23 ILE A 53 -5.977 -7.631 0.792 1.00 0.95 H new ATOM 0 HD11 ILE A 53 -2.544 -8.166 3.386 1.00 1.11 H new ATOM 0 HD12 ILE A 53 -2.840 -9.738 2.606 1.00 1.11 H new ATOM 0 HD13 ILE A 53 -3.004 -8.234 1.669 1.00 1.11 H new ATOM 818 N GLY A 54 -7.688 -7.428 3.654 1.00 0.62 N ATOM 819 CA GLY A 54 -8.485 -6.222 3.767 1.00 0.60 C ATOM 820 C GLY A 54 -7.632 -5.022 4.182 1.00 0.64 C ATOM 821 O GLY A 54 -6.409 -5.114 4.301 1.00 0.74 O ATOM 0 H GLY A 54 -7.055 -7.572 4.441 1.00 0.62 H new ATOM 0 HA2 GLY A 54 -8.968 -6.013 2.812 1.00 0.60 H new ATOM 0 HA3 GLY A 54 -9.278 -6.376 4.499 1.00 0.60 H new ATOM 825 N PRO A 55 -8.279 -3.865 4.397 1.00 0.67 N ATOM 826 CA PRO A 55 -7.594 -2.630 4.729 1.00 0.75 C ATOM 827 C PRO A 55 -6.790 -2.755 6.022 1.00 0.75 C ATOM 828 O PRO A 55 -5.671 -2.260 6.081 1.00 0.78 O ATOM 829 CB PRO A 55 -8.678 -1.548 4.804 1.00 0.81 C ATOM 830 CG PRO A 55 -9.983 -2.324 4.985 1.00 0.72 C ATOM 831 CD PRO A 55 -9.710 -3.648 4.271 1.00 0.64 C ATOM 0 HA PRO A 55 -6.853 -2.372 3.973 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -8.502 -0.867 5.637 1.00 0.81 H new ATOM 0 HB3 PRO A 55 -8.698 -0.943 3.897 1.00 0.81 H new ATOM 0 HG2 PRO A 55 -10.217 -2.476 6.039 1.00 0.72 H new ATOM 0 HG3 PRO A 55 -10.829 -1.796 4.544 1.00 0.72 H new ATOM 0 HD2 PRO A 55 -10.273 -4.463 4.726 1.00 0.64 H new ATOM 0 HD3 PRO A 55 -10.010 -3.599 3.224 1.00 0.64 H new ATOM 839 N ARG A 56 -7.336 -3.408 7.057 1.00 0.77 N ATOM 840 CA ARG A 56 -6.630 -3.565 8.325 1.00 0.81 C ATOM 841 C ARG A 56 -5.286 -4.263 8.117 1.00 0.75 C ATOM 842 O ARG A 56 -4.271 -3.813 8.641 1.00 0.71 O ATOM 843 CB ARG A 56 -7.462 -4.338 9.359 1.00 0.97 C ATOM 844 CG ARG A 56 -8.533 -3.488 10.060 1.00 2.06 C ATOM 845 CD ARG A 56 -9.804 -3.273 9.228 1.00 2.99 C ATOM 846 NE ARG A 56 -10.449 -4.550 8.868 1.00 3.84 N ATOM 847 CZ ARG A 56 -11.180 -5.315 9.698 1.00 4.55 C ATOM 848 NH1 ARG A 56 -11.397 -4.917 10.957 1.00 4.40 N ATOM 849 NH2 ARG A 56 -11.687 -6.474 9.267 1.00 6.14 N ATOM 0 H ARG A 56 -8.263 -3.833 7.036 1.00 0.77 H new ATOM 0 HA ARG A 56 -6.458 -2.562 8.715 1.00 0.81 H new ATOM 0 HB2 ARG A 56 -7.947 -5.180 8.864 1.00 0.97 H new ATOM 0 HB3 ARG A 56 -6.792 -4.754 10.112 1.00 0.97 H new ATOM 0 HG2 ARG A 56 -8.804 -3.967 11.001 1.00 2.06 H new ATOM 0 HG3 ARG A 56 -8.106 -2.517 10.309 1.00 2.06 H new ATOM 0 HD2 ARG A 56 -10.506 -2.658 9.790 1.00 2.99 H new ATOM 0 HD3 ARG A 56 -9.555 -2.724 8.320 1.00 2.99 H new ATOM 0 HE ARG A 56 -10.331 -4.880 7.910 1.00 3.84 H new ATOM 0 HH11 ARG A 56 -11.008 -4.034 11.287 1.00 4.40 H new ATOM 0 HH12 ARG A 56 -11.951 -5.497 11.587 1.00 4.40 H new ATOM 0 HH21 ARG A 56 -11.520 -6.779 8.308 1.00 6.14 H new ATOM 0 HH22 ARG A 56 -12.241 -7.054 9.897 1.00 6.14 H new ATOM 863 N ASP A 57 -5.275 -5.366 7.366 1.00 0.77 N ATOM 864 CA ASP A 57 -4.082 -6.174 7.161 1.00 0.74 C ATOM 865 C ASP A 57 -2.999 -5.302 6.530 1.00 0.68 C ATOM 866 O ASP A 57 -1.877 -5.198 7.034 1.00 0.66 O ATOM 867 CB ASP A 57 -4.409 -7.363 6.244 1.00 0.80 C ATOM 868 CG ASP A 57 -5.741 -8.023 6.565 1.00 1.53 C ATOM 869 OD1 ASP A 57 -6.764 -7.392 6.209 1.00 2.71 O ATOM 870 OD2 ASP A 57 -5.720 -9.126 7.146 1.00 2.45 O ATOM 0 H ASP A 57 -6.100 -5.721 6.883 1.00 0.77 H new ATOM 0 HA ASP A 57 -3.727 -6.561 8.116 1.00 0.74 H new ATOM 0 HB2 ASP A 57 -4.421 -7.022 5.209 1.00 0.80 H new ATOM 0 HB3 ASP A 57 -3.615 -8.105 6.326 1.00 0.80 H new ATOM 875 N ILE A 58 -3.374 -4.654 5.425 1.00 0.68 N ATOM 876 CA ILE A 58 -2.544 -3.695 4.713 1.00 0.64 C ATOM 877 C ILE A 58 -2.018 -2.638 5.686 1.00 0.60 C ATOM 878 O ILE A 58 -0.812 -2.395 5.746 1.00 0.56 O ATOM 879 CB ILE A 58 -3.370 -3.075 3.569 1.00 0.67 C ATOM 880 CG1 ILE A 58 -3.734 -4.100 2.478 1.00 0.65 C ATOM 881 CG2 ILE A 58 -2.680 -1.846 2.964 1.00 0.76 C ATOM 882 CD1 ILE A 58 -2.520 -4.713 1.780 1.00 1.95 C ATOM 0 H ILE A 58 -4.288 -4.789 4.994 1.00 0.68 H new ATOM 0 HA ILE A 58 -1.676 -4.189 4.277 1.00 0.64 H new ATOM 0 HB ILE A 58 -4.306 -2.743 4.019 1.00 0.67 H new ATOM 0 HG12 ILE A 58 -4.326 -4.898 2.925 1.00 0.65 H new ATOM 0 HG13 ILE A 58 -4.364 -3.615 1.732 1.00 0.65 H new ATOM 0 HG21 ILE A 58 -3.296 -1.441 2.162 1.00 0.76 H new ATOM 0 HG22 ILE A 58 -2.545 -1.088 3.736 1.00 0.76 H new ATOM 0 HG23 ILE A 58 -1.708 -2.134 2.564 1.00 0.76 H new ATOM 0 HD11 ILE A 58 -2.855 -5.425 1.025 1.00 1.95 H new ATOM 0 HD12 ILE A 58 -1.938 -3.925 1.302 1.00 1.95 H new ATOM 0 HD13 ILE A 58 -1.900 -5.228 2.514 1.00 1.95 H new ATOM 894 N ILE A 59 -2.919 -2.017 6.450 1.00 0.62 N ATOM 895 CA ILE A 59 -2.560 -0.980 7.400 1.00 0.61 C ATOM 896 C ILE A 59 -1.498 -1.506 8.366 1.00 0.56 C ATOM 897 O ILE A 59 -0.404 -0.958 8.437 1.00 0.52 O ATOM 898 CB ILE A 59 -3.812 -0.397 8.093 1.00 0.68 C ATOM 899 CG1 ILE A 59 -4.445 0.714 7.234 1.00 0.87 C ATOM 900 CG2 ILE A 59 -3.540 0.153 9.502 1.00 0.71 C ATOM 901 CD1 ILE A 59 -5.951 0.816 7.480 1.00 0.80 C ATOM 0 H ILE A 59 -3.917 -2.224 6.422 1.00 0.62 H new ATOM 0 HA ILE A 59 -2.111 -0.138 6.874 1.00 0.61 H new ATOM 0 HB ILE A 59 -4.500 -1.235 8.200 1.00 0.68 H new ATOM 0 HG12 ILE A 59 -3.971 1.669 7.463 1.00 0.87 H new ATOM 0 HG13 ILE A 59 -4.259 0.511 6.179 1.00 0.87 H new ATOM 0 HG21 ILE A 59 -4.465 0.545 9.924 1.00 0.71 H new ATOM 0 HG22 ILE A 59 -3.161 -0.647 10.138 1.00 0.71 H new ATOM 0 HG23 ILE A 59 -2.801 0.952 9.444 1.00 0.71 H new ATOM 0 HD11 ILE A 59 -6.368 1.609 6.859 1.00 0.80 H new ATOM 0 HD12 ILE A 59 -6.426 -0.132 7.226 1.00 0.80 H new ATOM 0 HD13 ILE A 59 -6.134 1.043 8.530 1.00 0.80 H new ATOM 913 N HIS A 60 -1.780 -2.595 9.076 1.00 0.62 N ATOM 914 CA HIS A 60 -0.909 -3.071 10.142 1.00 0.67 C ATOM 915 C HIS A 60 0.431 -3.514 9.569 1.00 0.66 C ATOM 916 O HIS A 60 1.487 -3.316 10.175 1.00 0.67 O ATOM 917 CB HIS A 60 -1.611 -4.175 10.935 1.00 0.85 C ATOM 918 CG HIS A 60 -2.885 -3.691 11.583 1.00 1.31 C ATOM 919 ND1 HIS A 60 -3.103 -2.435 12.108 1.00 2.78 N ATOM 920 CD2 HIS A 60 -4.067 -4.378 11.656 1.00 1.22 C ATOM 921 CE1 HIS A 60 -4.390 -2.375 12.486 1.00 3.00 C ATOM 922 NE2 HIS A 60 -5.022 -3.535 12.233 1.00 1.97 N ATOM 0 H HIS A 60 -2.612 -3.167 8.929 1.00 0.62 H new ATOM 0 HA HIS A 60 -0.699 -2.260 10.839 1.00 0.67 H new ATOM 0 HB2 HIS A 60 -1.838 -5.009 10.271 1.00 0.85 H new ATOM 0 HB3 HIS A 60 -0.936 -4.553 11.703 1.00 0.85 H new ATOM 0 HD1 HIS A 60 -2.413 -1.688 12.194 1.00 2.78 H new ATOM 0 HD2 HIS A 60 -4.233 -5.393 11.326 1.00 1.22 H new ATOM 0 HE1 HIS A 60 -4.856 -1.510 12.934 1.00 3.00 H new ATOM 930 N THR A 61 0.395 -4.068 8.359 1.00 0.68 N ATOM 931 CA THR A 61 1.618 -4.363 7.640 1.00 0.71 C ATOM 932 C THR A 61 2.423 -3.077 7.429 1.00 0.68 C ATOM 933 O THR A 61 3.585 -3.004 7.822 1.00 0.78 O ATOM 934 CB THR A 61 1.284 -5.078 6.331 1.00 0.75 C ATOM 935 OG1 THR A 61 0.620 -6.287 6.635 1.00 0.83 O ATOM 936 CG2 THR A 61 2.569 -5.392 5.555 1.00 0.88 C ATOM 0 H THR A 61 -0.462 -4.317 7.865 1.00 0.68 H new ATOM 0 HA THR A 61 2.246 -5.036 8.223 1.00 0.71 H new ATOM 0 HB THR A 61 0.650 -4.437 5.719 1.00 0.75 H new ATOM 0 HG1 THR A 61 -0.328 -6.106 6.802 1.00 0.83 H new ATOM 0 HG21 THR A 61 2.317 -5.901 4.625 1.00 0.88 H new ATOM 0 HG22 THR A 61 3.094 -4.464 5.330 1.00 0.88 H new ATOM 0 HG23 THR A 61 3.210 -6.035 6.158 1.00 0.88 H new ATOM 944 N ILE A 62 1.834 -2.053 6.813 1.00 0.57 N ATOM 945 CA ILE A 62 2.561 -0.831 6.495 1.00 0.53 C ATOM 946 C ILE A 62 3.031 -0.109 7.773 1.00 0.50 C ATOM 947 O ILE A 62 4.146 0.416 7.795 1.00 0.51 O ATOM 948 CB ILE A 62 1.730 0.032 5.534 1.00 0.48 C ATOM 949 CG1 ILE A 62 1.638 -0.641 4.155 1.00 0.52 C ATOM 950 CG2 ILE A 62 2.350 1.424 5.377 1.00 0.52 C ATOM 951 CD1 ILE A 62 0.523 -0.037 3.299 1.00 1.22 C ATOM 0 H ILE A 62 0.855 -2.048 6.525 1.00 0.57 H new ATOM 0 HA ILE A 62 3.483 -1.071 5.966 1.00 0.53 H new ATOM 0 HB ILE A 62 0.730 0.135 5.956 1.00 0.48 H new ATOM 0 HG12 ILE A 62 2.591 -0.537 3.636 1.00 0.52 H new ATOM 0 HG13 ILE A 62 1.460 -1.709 4.283 1.00 0.52 H new ATOM 0 HG21 ILE A 62 1.744 2.017 4.692 1.00 0.52 H new ATOM 0 HG22 ILE A 62 2.387 1.917 6.348 1.00 0.52 H new ATOM 0 HG23 ILE A 62 3.360 1.330 4.979 1.00 0.52 H new ATOM 0 HD11 ILE A 62 0.492 -0.541 2.333 1.00 1.22 H new ATOM 0 HD12 ILE A 62 -0.434 -0.164 3.805 1.00 1.22 H new ATOM 0 HD13 ILE A 62 0.715 1.025 3.148 1.00 1.22 H new ATOM 963 N GLU A 63 2.229 -0.136 8.846 1.00 0.51 N ATOM 964 CA GLU A 63 2.669 0.274 10.174 1.00 0.55 C ATOM 965 C GLU A 63 3.969 -0.453 10.520 1.00 0.52 C ATOM 966 O GLU A 63 4.980 0.187 10.804 1.00 0.53 O ATOM 967 CB GLU A 63 1.588 -0.005 11.231 1.00 0.69 C ATOM 968 CG GLU A 63 0.365 0.915 11.114 1.00 1.07 C ATOM 969 CD GLU A 63 -0.634 0.622 12.229 1.00 1.76 C ATOM 970 OE1 GLU A 63 -1.495 -0.262 12.018 1.00 2.62 O ATOM 971 OE2 GLU A 63 -0.501 1.266 13.289 1.00 2.81 O ATOM 0 H GLU A 63 1.257 -0.444 8.811 1.00 0.51 H new ATOM 0 HA GLU A 63 2.846 1.349 10.171 1.00 0.55 H new ATOM 0 HB2 GLU A 63 1.263 -1.042 11.142 1.00 0.69 H new ATOM 0 HB3 GLU A 63 2.024 0.108 12.224 1.00 0.69 H new ATOM 0 HG2 GLU A 63 0.681 1.957 11.165 1.00 1.07 H new ATOM 0 HG3 GLU A 63 -0.112 0.774 10.144 1.00 1.07 H new ATOM 978 N SER A 64 3.967 -1.789 10.452 1.00 0.57 N ATOM 979 CA SER A 64 5.159 -2.593 10.703 1.00 0.59 C ATOM 980 C SER A 64 6.333 -2.159 9.807 1.00 0.62 C ATOM 981 O SER A 64 7.463 -2.044 10.280 1.00 0.69 O ATOM 982 CB SER A 64 4.829 -4.086 10.557 1.00 0.67 C ATOM 983 OG SER A 64 5.865 -4.889 11.089 1.00 1.82 O ATOM 0 H SER A 64 3.139 -2.338 10.222 1.00 0.57 H new ATOM 0 HA SER A 64 5.484 -2.425 11.730 1.00 0.59 H new ATOM 0 HB2 SER A 64 3.893 -4.307 11.070 1.00 0.67 H new ATOM 0 HB3 SER A 64 4.681 -4.328 9.505 1.00 0.67 H new ATOM 0 HG SER A 64 5.631 -5.835 10.986 1.00 1.82 H new ATOM 989 N LEU A 65 6.080 -1.880 8.523 1.00 0.69 N ATOM 990 CA LEU A 65 7.111 -1.388 7.607 1.00 0.81 C ATOM 991 C LEU A 65 7.586 0.034 7.939 1.00 0.81 C ATOM 992 O LEU A 65 8.591 0.482 7.376 1.00 1.11 O ATOM 993 CB LEU A 65 6.642 -1.461 6.146 1.00 0.97 C ATOM 994 CG LEU A 65 6.218 -2.861 5.675 1.00 1.09 C ATOM 995 CD1 LEU A 65 5.778 -2.780 4.209 1.00 1.40 C ATOM 996 CD2 LEU A 65 7.330 -3.903 5.832 1.00 1.15 C ATOM 0 H LEU A 65 5.161 -1.988 8.094 1.00 0.69 H new ATOM 0 HA LEU A 65 7.966 -2.051 7.740 1.00 0.81 H new ATOM 0 HB2 LEU A 65 5.802 -0.779 6.014 1.00 0.97 H new ATOM 0 HB3 LEU A 65 7.446 -1.105 5.503 1.00 0.97 H new ATOM 0 HG LEU A 65 5.393 -3.189 6.307 1.00 1.09 H new ATOM 0 HD11 LEU A 65 5.475 -3.769 3.865 1.00 1.40 H new ATOM 0 HD12 LEU A 65 4.938 -2.091 4.119 1.00 1.40 H new ATOM 0 HD13 LEU A 65 6.608 -2.422 3.599 1.00 1.40 H new ATOM 0 HD21 LEU A 65 6.973 -4.872 5.483 1.00 1.15 H new ATOM 0 HD22 LEU A 65 8.196 -3.602 5.243 1.00 1.15 H new ATOM 0 HD23 LEU A 65 7.613 -3.977 6.882 1.00 1.15 H new ATOM 1008 N GLY A 66 6.897 0.745 8.834 1.00 0.72 N ATOM 1009 CA GLY A 66 7.323 2.034 9.346 1.00 0.78 C ATOM 1010 C GLY A 66 6.835 3.184 8.473 1.00 0.78 C ATOM 1011 O GLY A 66 7.594 4.116 8.213 1.00 0.98 O ATOM 0 H GLY A 66 6.010 0.428 9.226 1.00 0.72 H new ATOM 0 HA2 GLY A 66 6.946 2.164 10.361 1.00 0.78 H new ATOM 0 HA3 GLY A 66 8.411 2.059 9.404 1.00 0.78 H new ATOM 1015 N PHE A 67 5.568 3.139 8.051 1.00 0.62 N ATOM 1016 CA PHE A 67 4.875 4.267 7.444 1.00 0.57 C ATOM 1017 C PHE A 67 3.442 4.255 7.975 1.00 0.58 C ATOM 1018 O PHE A 67 3.017 3.230 8.497 1.00 0.67 O ATOM 1019 CB PHE A 67 4.878 4.136 5.917 1.00 0.53 C ATOM 1020 CG PHE A 67 6.171 3.648 5.291 1.00 0.63 C ATOM 1021 CD1 PHE A 67 7.221 4.548 5.044 1.00 1.49 C ATOM 1022 CD2 PHE A 67 6.310 2.299 4.910 1.00 2.28 C ATOM 1023 CE1 PHE A 67 8.345 4.134 4.310 1.00 1.47 C ATOM 1024 CE2 PHE A 67 7.406 1.896 4.132 1.00 2.45 C ATOM 1025 CZ PHE A 67 8.398 2.830 3.787 1.00 1.08 C ATOM 0 H PHE A 67 4.990 2.302 8.125 1.00 0.62 H new ATOM 0 HA PHE A 67 5.372 5.204 7.695 1.00 0.57 H new ATOM 0 HB2 PHE A 67 4.079 3.453 5.630 1.00 0.53 H new ATOM 0 HB3 PHE A 67 4.635 5.109 5.489 1.00 0.53 H new ATOM 0 HD1 PHE A 67 7.164 5.559 5.419 1.00 1.49 H new ATOM 0 HD2 PHE A 67 5.571 1.573 5.217 1.00 2.28 H new ATOM 0 HE1 PHE A 67 9.167 4.816 4.148 1.00 1.47 H new ATOM 0 HE2 PHE A 67 7.487 0.872 3.799 1.00 2.45 H new ATOM 0 HZ PHE A 67 9.200 2.546 3.121 1.00 1.08 H new ATOM 1035 N GLU A 68 2.696 5.357 7.842 1.00 0.58 N ATOM 1036 CA GLU A 68 1.332 5.507 8.301 1.00 0.58 C ATOM 1037 C GLU A 68 0.363 5.421 7.108 1.00 0.51 C ATOM 1038 O GLU A 68 0.299 6.354 6.305 1.00 0.56 O ATOM 1039 CB GLU A 68 1.274 6.872 8.966 1.00 0.75 C ATOM 1040 CG GLU A 68 0.082 7.055 9.889 1.00 1.77 C ATOM 1041 CD GLU A 68 -1.016 7.880 9.244 1.00 2.96 C ATOM 1042 OE1 GLU A 68 -0.708 9.033 8.864 1.00 2.84 O ATOM 1043 OE2 GLU A 68 -2.144 7.361 9.113 1.00 4.59 O ATOM 0 H GLU A 68 3.052 6.199 7.390 1.00 0.58 H new ATOM 0 HA GLU A 68 1.039 4.721 8.997 1.00 0.58 H new ATOM 0 HB2 GLU A 68 2.190 7.027 9.536 1.00 0.75 H new ATOM 0 HB3 GLU A 68 1.245 7.641 8.194 1.00 0.75 H new ATOM 0 HG2 GLU A 68 -0.314 6.078 10.167 1.00 1.77 H new ATOM 0 HG3 GLU A 68 0.407 7.541 10.809 1.00 1.77 H new ATOM 1050 N PRO A 69 -0.349 4.298 6.948 1.00 0.52 N ATOM 1051 CA PRO A 69 -1.205 4.019 5.803 1.00 0.56 C ATOM 1052 C PRO A 69 -2.588 4.654 5.974 1.00 0.59 C ATOM 1053 O PRO A 69 -3.536 4.006 6.412 1.00 0.94 O ATOM 1054 CB PRO A 69 -1.275 2.494 5.732 1.00 0.62 C ATOM 1055 CG PRO A 69 -1.051 2.050 7.171 1.00 0.63 C ATOM 1056 CD PRO A 69 -0.234 3.145 7.818 1.00 0.58 C ATOM 0 HA PRO A 69 -0.813 4.444 4.879 1.00 0.56 H new ATOM 0 HB2 PRO A 69 -2.240 2.155 5.355 1.00 0.62 H new ATOM 0 HB3 PRO A 69 -0.513 2.090 5.066 1.00 0.62 H new ATOM 0 HG2 PRO A 69 -2.000 1.912 7.690 1.00 0.63 H new ATOM 0 HG3 PRO A 69 -0.525 1.096 7.208 1.00 0.63 H new ATOM 0 HD2 PRO A 69 -0.607 3.371 8.817 1.00 0.58 H new ATOM 0 HD3 PRO A 69 0.807 2.842 7.928 1.00 0.58 H new ATOM 1064 N SER A 70 -2.719 5.924 5.599 1.00 0.59 N ATOM 1065 CA SER A 70 -3.927 6.694 5.839 1.00 0.69 C ATOM 1066 C SER A 70 -4.843 6.628 4.620 1.00 0.62 C ATOM 1067 O SER A 70 -4.528 7.173 3.566 1.00 0.60 O ATOM 1068 CB SER A 70 -3.503 8.119 6.166 1.00 0.90 C ATOM 1069 OG SER A 70 -4.566 8.959 6.606 1.00 1.75 O ATOM 0 H SER A 70 -1.986 6.446 5.119 1.00 0.59 H new ATOM 0 HA SER A 70 -4.497 6.289 6.675 1.00 0.69 H new ATOM 0 HB2 SER A 70 -2.735 8.089 6.939 1.00 0.90 H new ATOM 0 HB3 SER A 70 -3.047 8.563 5.281 1.00 0.90 H new ATOM 0 HG SER A 70 -5.166 9.147 5.855 1.00 1.75 H new ATOM 1075 N LEU A 71 -5.987 5.964 4.766 1.00 0.70 N ATOM 1076 CA LEU A 71 -7.023 5.893 3.744 1.00 0.83 C ATOM 1077 C LEU A 71 -7.565 7.297 3.451 1.00 1.08 C ATOM 1078 O LEU A 71 -8.302 7.841 4.269 1.00 1.79 O ATOM 1079 CB LEU A 71 -8.152 4.974 4.235 1.00 1.14 C ATOM 1080 CG LEU A 71 -7.732 3.498 4.322 1.00 1.42 C ATOM 1081 CD1 LEU A 71 -8.741 2.731 5.185 1.00 1.68 C ATOM 1082 CD2 LEU A 71 -7.690 2.858 2.930 1.00 3.01 C ATOM 0 H LEU A 71 -6.222 5.451 5.615 1.00 0.70 H new ATOM 0 HA LEU A 71 -6.604 5.487 2.823 1.00 0.83 H new ATOM 0 HB2 LEU A 71 -8.485 5.310 5.217 1.00 1.14 H new ATOM 0 HB3 LEU A 71 -9.005 5.064 3.562 1.00 1.14 H new ATOM 0 HG LEU A 71 -6.737 3.451 4.765 1.00 1.42 H new ATOM 0 HD11 LEU A 71 -8.444 1.684 5.248 1.00 1.68 H new ATOM 0 HD12 LEU A 71 -8.765 3.162 6.186 1.00 1.68 H new ATOM 0 HD13 LEU A 71 -9.732 2.801 4.736 1.00 1.68 H new ATOM 0 HD21 LEU A 71 -7.390 1.814 3.019 1.00 3.01 H new ATOM 0 HD22 LEU A 71 -8.678 2.914 2.474 1.00 3.01 H new ATOM 0 HD23 LEU A 71 -6.972 3.390 2.306 1.00 3.01 H new ATOM 1094 N VAL A 72 -7.212 7.881 2.299 1.00 0.97 N ATOM 1095 CA VAL A 72 -7.716 9.194 1.901 1.00 1.18 C ATOM 1096 C VAL A 72 -8.961 9.026 1.033 1.00 1.30 C ATOM 1097 O VAL A 72 -10.051 9.443 1.413 1.00 2.21 O ATOM 1098 CB VAL A 72 -6.639 10.019 1.167 1.00 1.62 C ATOM 1099 CG1 VAL A 72 -7.096 11.476 1.004 1.00 2.35 C ATOM 1100 CG2 VAL A 72 -5.320 10.019 1.934 1.00 2.49 C ATOM 0 H VAL A 72 -6.574 7.458 1.624 1.00 0.97 H new ATOM 0 HA VAL A 72 -7.982 9.747 2.802 1.00 1.18 H new ATOM 0 HB VAL A 72 -6.492 9.556 0.191 1.00 1.62 H new ATOM 0 HG11 VAL A 72 -6.324 12.043 0.484 1.00 2.35 H new ATOM 0 HG12 VAL A 72 -8.019 11.505 0.426 1.00 2.35 H new ATOM 0 HG13 VAL A 72 -7.269 11.915 1.986 1.00 2.35 H new ATOM 0 HG21 VAL A 72 -4.583 10.609 1.390 1.00 2.49 H new ATOM 0 HG22 VAL A 72 -5.474 10.452 2.922 1.00 2.49 H new ATOM 0 HG23 VAL A 72 -4.960 8.996 2.039 1.00 2.49 H new