USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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 60 HIS : no HE2:sc= 1.15 K(o=2.4,f=-3.6!) USER MOD Set 1.2: A 64 SER OG : rot 80:sc= 1.21 USER MOD Set 2.1: A 15 CYS SG : rot 100:sc= 0.133 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.152 USER MOD Set 2.3: A 18 CYS SG : rot 180:sc= 1.13 USER MOD Set 2.4: A 21 LYS NZ :NH3+ 180:sc= 2.02 (180deg=0.681) USER MOD Single : A 13 MET CE :methyl -166:sc= -1.77 (180deg=-2.24) USER MOD Single : A 14 THR OG1 : rot -39:sc= 0.87 USER MOD Single : A 20 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -76:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.0755 X(o=-0.075,f=-0.34) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 CYS SG : rot 13:sc= -0.514 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 41 THR OG1 : rot -30:sc= 0.935 USER MOD Single : A 42 ASN : amide:sc= 0.851 K(o=0.85,f=-4.4!) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0.877 (180deg=0.0768) USER MOD Single : A 45 HIS : no HE2:sc= 0.748 K(o=0.75,f=-6.5!) 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 61 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.389 -12.927 -2.044 1.00 1.29 N ATOM 40 CA GLY A 4 -2.414 -11.878 -1.810 1.00 1.57 C ATOM 41 C GLY A 4 -2.983 -10.862 -0.822 1.00 1.27 C ATOM 42 O GLY A 4 -3.938 -10.153 -1.132 1.00 1.45 O ATOM 0 HA2 GLY A 4 -1.492 -12.306 -1.417 1.00 1.57 H new ATOM 0 HA3 GLY A 4 -2.162 -11.386 -2.749 1.00 1.57 H new ATOM 46 N VAL A 5 -2.397 -10.782 0.373 1.00 1.33 N ATOM 47 CA VAL A 5 -2.732 -9.783 1.370 1.00 1.14 C ATOM 48 C VAL A 5 -1.452 -9.395 2.094 1.00 0.99 C ATOM 49 O VAL A 5 -0.614 -10.256 2.357 1.00 1.41 O ATOM 50 CB VAL A 5 -3.819 -10.303 2.329 1.00 1.28 C ATOM 51 CG1 VAL A 5 -3.433 -11.610 3.037 1.00 2.12 C ATOM 52 CG2 VAL A 5 -4.168 -9.252 3.394 1.00 1.87 C ATOM 0 H VAL A 5 -1.664 -11.424 0.674 1.00 1.33 H new ATOM 0 HA VAL A 5 -3.154 -8.896 0.897 1.00 1.14 H new ATOM 0 HB VAL A 5 -4.685 -10.505 1.699 1.00 1.28 H new ATOM 0 HG11 VAL A 5 -4.243 -11.919 3.697 1.00 2.12 H new ATOM 0 HG12 VAL A 5 -3.253 -12.387 2.294 1.00 2.12 H new ATOM 0 HG13 VAL A 5 -2.528 -11.453 3.623 1.00 2.12 H new ATOM 0 HG21 VAL A 5 -4.938 -9.647 4.057 1.00 1.87 H new ATOM 0 HG22 VAL A 5 -3.277 -9.013 3.975 1.00 1.87 H new ATOM 0 HG23 VAL A 5 -4.537 -8.349 2.907 1.00 1.87 H new ATOM 62 N LEU A 6 -1.301 -8.111 2.422 1.00 0.91 N ATOM 63 CA LEU A 6 -0.301 -7.676 3.376 1.00 1.31 C ATOM 64 C LEU A 6 -0.789 -6.416 4.076 1.00 1.12 C ATOM 65 O LEU A 6 -1.483 -5.596 3.471 1.00 1.21 O ATOM 66 CB LEU A 6 1.089 -7.483 2.739 1.00 1.99 C ATOM 67 CG LEU A 6 1.284 -6.239 1.849 1.00 1.59 C ATOM 68 CD1 LEU A 6 2.786 -6.018 1.636 1.00 2.22 C ATOM 69 CD2 LEU A 6 0.622 -6.383 0.475 1.00 2.67 C ATOM 0 H LEU A 6 -1.866 -7.356 2.034 1.00 0.91 H new ATOM 0 HA LEU A 6 -0.169 -8.466 4.116 1.00 1.31 H new ATOM 0 HB2 LEU A 6 1.827 -7.445 3.541 1.00 1.99 H new ATOM 0 HB3 LEU A 6 1.313 -8.366 2.141 1.00 1.99 H new ATOM 0 HG LEU A 6 0.816 -5.397 2.359 1.00 1.59 H new ATOM 0 HD11 LEU A 6 2.939 -5.141 1.008 1.00 2.22 H new ATOM 0 HD12 LEU A 6 3.271 -5.863 2.600 1.00 2.22 H new ATOM 0 HD13 LEU A 6 3.217 -6.893 1.149 1.00 2.22 H new ATOM 0 HD21 LEU A 6 0.792 -5.478 -0.108 1.00 2.67 H new ATOM 0 HD22 LEU A 6 1.052 -7.237 -0.048 1.00 2.67 H new ATOM 0 HD23 LEU A 6 -0.450 -6.537 0.602 1.00 2.67 H new ATOM 81 N GLU A 7 -0.381 -6.259 5.335 1.00 1.12 N ATOM 82 CA GLU A 7 -0.243 -4.946 5.922 1.00 0.89 C ATOM 83 C GLU A 7 1.204 -4.543 5.714 1.00 0.73 C ATOM 84 O GLU A 7 2.117 -5.297 6.052 1.00 1.09 O ATOM 85 CB GLU A 7 -0.629 -4.942 7.400 1.00 1.39 C ATOM 86 CG GLU A 7 -2.104 -5.342 7.527 1.00 1.31 C ATOM 87 CD GLU A 7 -2.857 -4.518 8.557 1.00 2.09 C ATOM 88 OE1 GLU A 7 -2.234 -4.022 9.521 1.00 3.05 O ATOM 89 OE2 GLU A 7 -4.070 -4.283 8.351 1.00 3.16 O ATOM 0 H GLU A 7 -0.143 -7.030 5.959 1.00 1.12 H new ATOM 0 HA GLU A 7 -0.918 -4.233 5.450 1.00 0.89 H new ATOM 0 HB2 GLU A 7 -0.000 -5.637 7.956 1.00 1.39 H new ATOM 0 HB3 GLU A 7 -0.468 -3.953 7.829 1.00 1.39 H new ATOM 0 HG2 GLU A 7 -2.589 -5.232 6.557 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -2.167 -6.396 7.797 1.00 1.31 H new ATOM 96 N LEU A 8 1.410 -3.366 5.138 1.00 0.62 N ATOM 97 CA LEU A 8 2.699 -2.711 5.168 1.00 0.73 C ATOM 98 C LEU A 8 2.590 -1.538 6.128 1.00 0.61 C ATOM 99 O LEU A 8 1.500 -0.994 6.299 1.00 0.63 O ATOM 100 CB LEU A 8 3.168 -2.364 3.744 1.00 1.02 C ATOM 101 CG LEU A 8 2.188 -1.546 2.885 1.00 1.44 C ATOM 102 CD1 LEU A 8 2.276 -0.052 3.199 1.00 2.54 C ATOM 103 CD2 LEU A 8 2.515 -1.741 1.402 1.00 2.32 C ATOM 0 H LEU A 8 0.688 -2.845 4.640 1.00 0.62 H new ATOM 0 HA LEU A 8 3.487 -3.363 5.544 1.00 0.73 H new ATOM 0 HB2 LEU A 8 4.104 -1.810 3.817 1.00 1.02 H new ATOM 0 HB3 LEU A 8 3.388 -3.294 3.220 1.00 1.02 H new ATOM 0 HG LEU A 8 1.182 -1.898 3.112 1.00 1.44 H new ATOM 0 HD11 LEU A 8 1.570 0.494 2.573 1.00 2.54 H new ATOM 0 HD12 LEU A 8 2.034 0.114 4.249 1.00 2.54 H new ATOM 0 HD13 LEU A 8 3.287 0.303 2.999 1.00 2.54 H new ATOM 0 HD21 LEU A 8 1.819 -1.160 0.797 1.00 2.32 H new ATOM 0 HD22 LEU A 8 3.533 -1.405 1.207 1.00 2.32 H new ATOM 0 HD23 LEU A 8 2.426 -2.797 1.145 1.00 2.32 H new ATOM 115 N VAL A 9 3.705 -1.169 6.758 1.00 0.66 N ATOM 116 CA VAL A 9 3.868 0.125 7.384 1.00 0.65 C ATOM 117 C VAL A 9 4.140 1.084 6.232 1.00 0.57 C ATOM 118 O VAL A 9 4.786 0.685 5.263 1.00 0.82 O ATOM 119 CB VAL A 9 5.022 0.079 8.414 1.00 0.88 C ATOM 120 CG1 VAL A 9 6.149 1.097 8.178 1.00 1.28 C ATOM 121 CG2 VAL A 9 4.458 0.299 9.820 1.00 1.09 C ATOM 0 H VAL A 9 4.523 -1.772 6.844 1.00 0.66 H new ATOM 0 HA VAL A 9 2.992 0.443 7.949 1.00 0.65 H new ATOM 0 HB VAL A 9 5.471 -0.907 8.297 1.00 0.88 H new ATOM 0 HG11 VAL A 9 6.909 0.985 8.952 1.00 1.28 H new ATOM 0 HG12 VAL A 9 6.598 0.922 7.200 1.00 1.28 H new ATOM 0 HG13 VAL A 9 5.741 2.107 8.214 1.00 1.28 H new ATOM 0 HG21 VAL A 9 5.270 0.267 10.547 1.00 1.09 H new ATOM 0 HG22 VAL A 9 3.967 1.271 9.867 1.00 1.09 H new ATOM 0 HG23 VAL A 9 3.735 -0.484 10.049 1.00 1.09 H new ATOM 131 N VAL A 10 3.636 2.315 6.315 1.00 0.60 N ATOM 132 CA VAL A 10 3.834 3.338 5.315 1.00 0.55 C ATOM 133 C VAL A 10 4.015 4.678 6.021 1.00 0.61 C ATOM 134 O VAL A 10 3.272 5.015 6.951 1.00 0.81 O ATOM 135 CB VAL A 10 2.686 3.322 4.297 1.00 0.54 C ATOM 136 CG1 VAL A 10 1.324 3.090 4.956 1.00 2.26 C ATOM 137 CG2 VAL A 10 2.657 4.615 3.491 1.00 2.21 C ATOM 0 H VAL A 10 3.067 2.626 7.102 1.00 0.60 H new ATOM 0 HA VAL A 10 4.738 3.150 4.735 1.00 0.55 H new ATOM 0 HB VAL A 10 2.876 2.483 3.627 1.00 0.54 H new ATOM 0 HG11 VAL A 10 0.546 3.088 4.193 1.00 2.26 H new ATOM 0 HG12 VAL A 10 1.328 2.130 5.473 1.00 2.26 H new ATOM 0 HG13 VAL A 10 1.126 3.887 5.673 1.00 2.26 H new ATOM 0 HG21 VAL A 10 1.835 4.580 2.776 1.00 2.21 H new ATOM 0 HG22 VAL A 10 2.516 5.460 4.164 1.00 2.21 H new ATOM 0 HG23 VAL A 10 3.599 4.731 2.955 1.00 2.21 H new ATOM 147 N ARG A 11 5.031 5.426 5.589 1.00 0.87 N ATOM 148 CA ARG A 11 5.483 6.661 6.205 1.00 1.01 C ATOM 149 C ARG A 11 5.722 7.707 5.112 1.00 0.99 C ATOM 150 O ARG A 11 5.773 7.375 3.928 1.00 1.28 O ATOM 151 CB ARG A 11 6.779 6.382 6.975 1.00 1.15 C ATOM 152 CG ARG A 11 6.623 5.398 8.148 1.00 1.49 C ATOM 153 CD ARG A 11 6.976 6.040 9.495 1.00 2.44 C ATOM 154 NE ARG A 11 5.909 6.938 9.979 1.00 4.12 N ATOM 155 CZ ARG A 11 6.031 7.795 11.009 1.00 5.47 C ATOM 156 NH1 ARG A 11 7.235 8.037 11.540 1.00 5.58 N ATOM 157 NH2 ARG A 11 4.952 8.399 11.515 1.00 7.10 N ATOM 0 H ARG A 11 5.579 5.173 4.767 1.00 0.87 H new ATOM 0 HA ARG A 11 4.732 7.041 6.897 1.00 1.01 H new ATOM 0 HB2 ARG A 11 7.521 5.987 6.282 1.00 1.15 H new ATOM 0 HB3 ARG A 11 7.170 7.325 7.357 1.00 1.15 H new ATOM 0 HG2 ARG A 11 5.596 5.033 8.180 1.00 1.49 H new ATOM 0 HG3 ARG A 11 7.264 4.532 7.981 1.00 1.49 H new ATOM 0 HD2 ARG A 11 7.154 5.258 10.233 1.00 2.44 H new ATOM 0 HD3 ARG A 11 7.905 6.602 9.396 1.00 2.44 H new ATOM 0 HE ARG A 11 5.011 6.906 9.496 1.00 4.12 H new ATOM 0 HH11 ARG A 11 8.061 7.572 11.164 1.00 5.58 H new ATOM 0 HH12 ARG A 11 7.327 8.687 12.321 1.00 5.58 H new ATOM 0 HH21 ARG A 11 4.030 8.211 11.120 1.00 7.10 H new ATOM 0 HH22 ARG A 11 5.050 9.048 12.296 1.00 7.10 H new ATOM 171 N GLY A 12 5.851 8.976 5.513 1.00 1.05 N ATOM 172 CA GLY A 12 6.089 10.099 4.612 1.00 1.11 C ATOM 173 C GLY A 12 4.790 10.838 4.287 1.00 1.23 C ATOM 174 O GLY A 12 4.774 12.066 4.229 1.00 1.48 O ATOM 0 H GLY A 12 5.791 9.252 6.493 1.00 1.05 H new ATOM 0 HA2 GLY A 12 6.798 10.790 5.068 1.00 1.11 H new ATOM 0 HA3 GLY A 12 6.544 9.738 3.690 1.00 1.11 H new ATOM 178 N MET A 13 3.696 10.092 4.097 1.00 1.33 N ATOM 179 CA MET A 13 2.369 10.605 3.768 1.00 1.45 C ATOM 180 C MET A 13 1.738 11.415 4.917 1.00 1.18 C ATOM 181 O MET A 13 0.713 11.041 5.481 1.00 1.62 O ATOM 182 CB MET A 13 1.483 9.432 3.317 1.00 1.92 C ATOM 183 CG MET A 13 1.376 8.304 4.349 1.00 1.02 C ATOM 184 SD MET A 13 0.089 7.094 3.982 1.00 1.55 S ATOM 185 CE MET A 13 0.008 6.298 5.587 1.00 1.22 C ATOM 0 H MET A 13 3.716 9.075 4.172 1.00 1.33 H new ATOM 0 HA MET A 13 2.462 11.317 2.948 1.00 1.45 H new ATOM 0 HB2 MET A 13 0.483 9.807 3.098 1.00 1.92 H new ATOM 0 HB3 MET A 13 1.881 9.025 2.388 1.00 1.92 H new ATOM 0 HG2 MET A 13 2.336 7.791 4.412 1.00 1.02 H new ATOM 0 HG3 MET A 13 1.182 8.739 5.329 1.00 1.02 H new ATOM 0 HE1 MET A 13 -0.547 5.364 5.502 1.00 1.22 H new ATOM 0 HE2 MET A 13 1.018 6.089 5.941 1.00 1.22 H new ATOM 0 HE3 MET A 13 -0.496 6.956 6.295 1.00 1.22 H new ATOM 195 N THR A 14 2.332 12.554 5.261 1.00 0.87 N ATOM 196 CA THR A 14 2.058 13.286 6.493 1.00 0.72 C ATOM 197 C THR A 14 0.688 13.992 6.544 1.00 0.80 C ATOM 198 O THR A 14 0.512 14.878 7.382 1.00 1.24 O ATOM 199 CB THR A 14 3.229 14.255 6.749 1.00 0.98 C ATOM 200 OG1 THR A 14 3.121 14.839 8.031 1.00 1.77 O ATOM 201 CG2 THR A 14 3.322 15.361 5.691 1.00 1.20 C ATOM 0 H THR A 14 3.035 13.005 4.675 1.00 0.87 H new ATOM 0 HA THR A 14 1.984 12.556 7.299 1.00 0.72 H new ATOM 0 HB THR A 14 4.141 13.660 6.689 1.00 0.98 H new ATOM 0 HG1 THR A 14 2.181 15.042 8.220 1.00 1.77 H new ATOM 0 HG21 THR A 14 4.164 16.014 5.921 1.00 1.20 H new ATOM 0 HG22 THR A 14 3.468 14.913 4.708 1.00 1.20 H new ATOM 0 HG23 THR A 14 2.400 15.943 5.691 1.00 1.20 H new ATOM 209 N CYS A 15 -0.283 13.609 5.710 1.00 0.54 N ATOM 210 CA CYS A 15 -1.617 14.186 5.719 1.00 0.54 C ATOM 211 C CYS A 15 -2.570 13.323 4.895 1.00 0.47 C ATOM 212 O CYS A 15 -2.154 12.563 4.018 1.00 0.49 O ATOM 213 CB CYS A 15 -1.596 15.649 5.238 1.00 0.63 C ATOM 214 SG CYS A 15 -0.319 16.138 4.040 1.00 1.14 S ATOM 0 H CYS A 15 -0.157 12.882 5.005 1.00 0.54 H new ATOM 0 HA CYS A 15 -1.985 14.201 6.745 1.00 0.54 H new ATOM 0 HB2 CYS A 15 -2.568 15.869 4.797 1.00 0.63 H new ATOM 0 HB3 CYS A 15 -1.492 16.287 6.116 1.00 0.63 H new ATOM 0 HG CYS A 15 -0.831 16.162 2.845 1.00 1.14 H new ATOM 219 N ALA A 16 -3.869 13.472 5.175 1.00 0.53 N ATOM 220 CA ALA A 16 -4.943 12.779 4.472 1.00 0.63 C ATOM 221 C ALA A 16 -4.794 12.925 2.957 1.00 0.54 C ATOM 222 O ALA A 16 -5.059 11.985 2.207 1.00 0.55 O ATOM 223 CB ALA A 16 -6.297 13.326 4.931 1.00 0.91 C ATOM 0 H ALA A 16 -4.205 14.091 5.912 1.00 0.53 H new ATOM 0 HA ALA A 16 -4.885 11.717 4.711 1.00 0.63 H new ATOM 0 HB1 ALA A 16 -7.097 12.806 4.404 1.00 0.91 H new ATOM 0 HB2 ALA A 16 -6.408 13.169 6.004 1.00 0.91 H new ATOM 0 HB3 ALA A 16 -6.352 14.392 4.712 1.00 0.91 H new ATOM 229 N SER A 17 -4.352 14.108 2.514 1.00 0.58 N ATOM 230 CA SER A 17 -4.122 14.383 1.108 1.00 0.71 C ATOM 231 C SER A 17 -3.109 13.405 0.505 1.00 0.67 C ATOM 232 O SER A 17 -3.153 13.135 -0.692 1.00 0.84 O ATOM 233 CB SER A 17 -3.688 15.837 0.889 1.00 0.92 C ATOM 234 OG SER A 17 -2.343 16.044 1.274 1.00 1.89 O ATOM 0 H SER A 17 -4.146 14.896 3.128 1.00 0.58 H new ATOM 0 HA SER A 17 -5.068 14.238 0.587 1.00 0.71 H new ATOM 0 HB2 SER A 17 -3.810 16.099 -0.162 1.00 0.92 H new ATOM 0 HB3 SER A 17 -4.337 16.501 1.461 1.00 0.92 H new ATOM 0 HG SER A 17 -2.099 16.981 1.120 1.00 1.89 H new ATOM 240 N CYS A 18 -2.119 12.947 1.273 1.00 0.57 N ATOM 241 CA CYS A 18 -1.263 11.838 0.884 1.00 0.60 C ATOM 242 C CYS A 18 -1.931 10.476 1.012 1.00 0.43 C ATOM 243 O CYS A 18 -1.832 9.670 0.090 1.00 0.45 O ATOM 244 CB CYS A 18 0.109 11.985 1.511 1.00 0.97 C ATOM 245 SG CYS A 18 0.885 13.506 0.911 1.00 1.61 S ATOM 0 H CYS A 18 -1.892 13.341 2.186 1.00 0.57 H new ATOM 0 HA CYS A 18 -1.091 11.887 -0.191 1.00 0.60 H new ATOM 0 HB2 CYS A 18 0.023 12.012 2.597 1.00 0.97 H new ATOM 0 HB3 CYS A 18 0.729 11.124 1.261 1.00 0.97 H new ATOM 0 HG CYS A 18 2.061 13.635 1.449 1.00 1.61 H new ATOM 250 N VAL A 19 -2.630 10.220 2.116 1.00 0.43 N ATOM 251 CA VAL A 19 -3.332 8.950 2.304 1.00 0.50 C ATOM 252 C VAL A 19 -4.196 8.619 1.077 1.00 0.44 C ATOM 253 O VAL A 19 -3.992 7.594 0.422 1.00 0.44 O ATOM 254 CB VAL A 19 -4.149 8.980 3.607 1.00 0.65 C ATOM 255 CG1 VAL A 19 -4.932 7.681 3.817 1.00 0.92 C ATOM 256 CG2 VAL A 19 -3.232 9.165 4.823 1.00 0.76 C ATOM 0 H VAL A 19 -2.726 10.873 2.893 1.00 0.43 H new ATOM 0 HA VAL A 19 -2.600 8.148 2.399 1.00 0.50 H new ATOM 0 HB VAL A 19 -4.841 9.817 3.514 1.00 0.65 H new ATOM 0 HG11 VAL A 19 -5.496 7.742 4.748 1.00 0.92 H new ATOM 0 HG12 VAL A 19 -5.620 7.533 2.985 1.00 0.92 H new ATOM 0 HG13 VAL A 19 -4.238 6.842 3.868 1.00 0.92 H new ATOM 0 HG21 VAL A 19 -3.833 9.183 5.732 1.00 0.76 H new ATOM 0 HG22 VAL A 19 -2.523 8.339 4.873 1.00 0.76 H new ATOM 0 HG23 VAL A 19 -2.688 10.105 4.729 1.00 0.76 H new ATOM 266 N HIS A 20 -5.160 9.483 0.739 1.00 0.46 N ATOM 267 CA HIS A 20 -6.055 9.183 -0.376 1.00 0.52 C ATOM 268 C HIS A 20 -5.339 9.268 -1.733 1.00 0.46 C ATOM 269 O HIS A 20 -5.755 8.610 -2.682 1.00 0.50 O ATOM 270 CB HIS A 20 -7.367 9.978 -0.308 1.00 0.72 C ATOM 271 CG HIS A 20 -7.339 11.371 -0.885 1.00 0.77 C ATOM 272 ND1 HIS A 20 -8.356 11.974 -1.588 1.00 0.99 N ATOM 273 CD2 HIS A 20 -6.312 12.267 -0.800 1.00 0.79 C ATOM 274 CE1 HIS A 20 -7.941 13.210 -1.917 1.00 1.07 C ATOM 275 NE2 HIS A 20 -6.698 13.436 -1.461 1.00 1.00 N ATOM 0 H HIS A 20 -5.335 10.371 1.209 1.00 0.46 H new ATOM 0 HA HIS A 20 -6.355 8.140 -0.275 1.00 0.52 H new ATOM 0 HB2 HIS A 20 -8.138 9.409 -0.827 1.00 0.72 H new ATOM 0 HB3 HIS A 20 -7.671 10.047 0.737 1.00 0.72 H new ATOM 0 HD2 HIS A 20 -5.365 12.101 -0.307 1.00 0.79 H new ATOM 0 HE1 HIS A 20 -8.529 13.925 -2.473 1.00 1.07 H new ATOM 0 HE2 HIS A 20 -6.148 14.287 -1.574 1.00 1.00 H new ATOM 283 N LYS A 21 -4.258 10.054 -1.834 1.00 0.47 N ATOM 284 CA LYS A 21 -3.416 10.105 -3.025 1.00 0.53 C ATOM 285 C LYS A 21 -2.823 8.715 -3.262 1.00 0.50 C ATOM 286 O LYS A 21 -2.962 8.179 -4.361 1.00 0.58 O ATOM 287 CB LYS A 21 -2.353 11.203 -2.851 1.00 0.62 C ATOM 288 CG LYS A 21 -1.248 11.305 -3.908 1.00 0.65 C ATOM 289 CD LYS A 21 -0.033 12.108 -3.393 1.00 1.05 C ATOM 290 CE LYS A 21 -0.282 13.597 -3.071 1.00 2.43 C ATOM 291 NZ LYS A 21 -0.749 13.859 -1.687 1.00 3.81 N ATOM 0 H LYS A 21 -3.946 10.673 -1.085 1.00 0.47 H new ATOM 0 HA LYS A 21 -3.991 10.368 -3.913 1.00 0.53 H new ATOM 0 HB2 LYS A 21 -2.867 12.163 -2.811 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -1.876 11.056 -1.882 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -0.927 10.304 -4.195 1.00 0.65 H new ATOM 0 HG3 LYS A 21 -1.645 11.782 -4.804 1.00 0.65 H new ATOM 0 HD2 LYS A 21 0.341 11.621 -2.492 1.00 1.05 H new ATOM 0 HD3 LYS A 21 0.758 12.048 -4.140 1.00 1.05 H new ATOM 0 HE2 LYS A 21 0.641 14.151 -3.240 1.00 2.43 H new ATOM 0 HE3 LYS A 21 -1.021 13.988 -3.770 1.00 2.43 H new ATOM 0 HZ1 LYS A 21 -0.891 14.881 -1.556 1.00 3.81 H new ATOM 0 HZ2 LYS A 21 -1.647 13.361 -1.524 1.00 3.81 H new ATOM 0 HZ3 LYS A 21 -0.036 13.519 -1.010 1.00 3.81 H new ATOM 305 N ILE A 22 -2.196 8.120 -2.237 1.00 0.45 N ATOM 306 CA ILE A 22 -1.735 6.738 -2.315 1.00 0.47 C ATOM 307 C ILE A 22 -2.901 5.866 -2.750 1.00 0.46 C ATOM 308 O ILE A 22 -2.811 5.220 -3.788 1.00 0.50 O ATOM 309 CB ILE A 22 -1.148 6.229 -0.982 1.00 0.49 C ATOM 310 CG1 ILE A 22 0.172 6.947 -0.685 1.00 0.54 C ATOM 311 CG2 ILE A 22 -0.907 4.709 -1.030 1.00 0.57 C ATOM 312 CD1 ILE A 22 0.779 6.517 0.649 1.00 0.79 C ATOM 0 H ILE A 22 -1.999 8.579 -1.348 1.00 0.45 H new ATOM 0 HA ILE A 22 -0.925 6.688 -3.043 1.00 0.47 H new ATOM 0 HB ILE A 22 -1.867 6.442 -0.191 1.00 0.49 H new ATOM 0 HG12 ILE A 22 0.882 6.744 -1.487 1.00 0.54 H new ATOM 0 HG13 ILE A 22 0.003 8.024 -0.674 1.00 0.54 H new ATOM 0 HG21 ILE A 22 -0.493 4.376 -0.078 1.00 0.57 H new ATOM 0 HG22 ILE A 22 -1.851 4.197 -1.214 1.00 0.57 H new ATOM 0 HG23 ILE A 22 -0.206 4.477 -1.832 1.00 0.57 H new ATOM 0 HD11 ILE A 22 1.713 7.054 0.814 1.00 0.79 H new ATOM 0 HD12 ILE A 22 0.082 6.745 1.456 1.00 0.79 H new ATOM 0 HD13 ILE A 22 0.975 5.445 0.631 1.00 0.79 H new ATOM 324 N GLU A 23 -3.973 5.840 -1.955 1.00 0.46 N ATOM 325 CA GLU A 23 -5.064 4.895 -2.148 1.00 0.48 C ATOM 326 C GLU A 23 -5.587 4.961 -3.589 1.00 0.43 C ATOM 327 O GLU A 23 -5.567 3.972 -4.324 1.00 0.51 O ATOM 328 CB GLU A 23 -6.146 5.157 -1.084 1.00 0.60 C ATOM 329 CG GLU A 23 -6.896 3.880 -0.688 1.00 1.26 C ATOM 330 CD GLU A 23 -7.559 4.028 0.676 1.00 2.16 C ATOM 331 OE1 GLU A 23 -8.531 4.807 0.747 1.00 2.91 O ATOM 332 OE2 GLU A 23 -7.052 3.386 1.625 1.00 3.27 O ATOM 0 H GLU A 23 -4.105 6.472 -1.165 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.715 3.872 -2.011 1.00 0.48 H new ATOM 0 HB2 GLU A 23 -5.683 5.593 -0.199 1.00 0.60 H new ATOM 0 HB3 GLU A 23 -6.857 5.890 -1.465 1.00 0.60 H new ATOM 0 HG2 GLU A 23 -7.652 3.652 -1.439 1.00 1.26 H new ATOM 0 HG3 GLU A 23 -6.202 3.039 -0.668 1.00 1.26 H new ATOM 339 N SER A 24 -5.997 6.160 -4.006 1.00 0.42 N ATOM 340 CA SER A 24 -6.506 6.449 -5.337 1.00 0.51 C ATOM 341 C SER A 24 -5.495 6.044 -6.414 1.00 0.53 C ATOM 342 O SER A 24 -5.852 5.379 -7.385 1.00 0.64 O ATOM 343 CB SER A 24 -6.855 7.942 -5.422 1.00 0.60 C ATOM 344 OG SER A 24 -7.472 8.252 -6.655 1.00 0.84 O ATOM 0 H SER A 24 -5.981 6.981 -3.401 1.00 0.42 H new ATOM 0 HA SER A 24 -7.407 5.863 -5.518 1.00 0.51 H new ATOM 0 HB2 SER A 24 -7.521 8.210 -4.601 1.00 0.60 H new ATOM 0 HB3 SER A 24 -5.949 8.537 -5.305 1.00 0.60 H new ATOM 0 HG SER A 24 -7.685 9.208 -6.683 1.00 0.84 H new ATOM 350 N SER A 25 -4.227 6.438 -6.257 1.00 0.57 N ATOM 351 CA SER A 25 -3.220 6.174 -7.271 1.00 0.69 C ATOM 352 C SER A 25 -3.018 4.663 -7.392 1.00 0.67 C ATOM 353 O SER A 25 -3.218 4.077 -8.450 1.00 0.86 O ATOM 354 CB SER A 25 -1.920 6.913 -6.920 1.00 0.84 C ATOM 355 OG SER A 25 -0.967 6.787 -7.956 1.00 1.29 O ATOM 0 H SER A 25 -3.882 6.939 -5.438 1.00 0.57 H new ATOM 0 HA SER A 25 -3.547 6.547 -8.242 1.00 0.69 H new ATOM 0 HB2 SER A 25 -2.134 7.967 -6.744 1.00 0.84 H new ATOM 0 HB3 SER A 25 -1.509 6.512 -5.993 1.00 0.84 H new ATOM 0 HG SER A 25 -0.149 7.268 -7.709 1.00 1.29 H new ATOM 361 N LEU A 26 -2.657 4.023 -6.288 1.00 0.68 N ATOM 362 CA LEU A 26 -2.349 2.617 -6.202 1.00 0.85 C ATOM 363 C LEU A 26 -3.496 1.766 -6.756 1.00 0.75 C ATOM 364 O LEU A 26 -3.271 0.909 -7.610 1.00 0.81 O ATOM 365 CB LEU A 26 -2.024 2.372 -4.729 1.00 1.15 C ATOM 366 CG LEU A 26 -1.816 0.924 -4.307 1.00 0.94 C ATOM 367 CD1 LEU A 26 -0.661 0.271 -5.063 1.00 2.46 C ATOM 368 CD2 LEU A 26 -1.514 0.920 -2.807 1.00 1.78 C ATOM 0 H LEU A 26 -2.569 4.500 -5.391 1.00 0.68 H new ATOM 0 HA LEU A 26 -1.499 2.323 -6.817 1.00 0.85 H new ATOM 0 HB2 LEU A 26 -1.122 2.932 -4.482 1.00 1.15 H new ATOM 0 HB3 LEU A 26 -2.832 2.789 -4.128 1.00 1.15 H new ATOM 0 HG LEU A 26 -2.715 0.351 -4.536 1.00 0.94 H new ATOM 0 HD11 LEU A 26 -0.547 -0.761 -4.732 1.00 2.46 H new ATOM 0 HD12 LEU A 26 -0.870 0.288 -6.133 1.00 2.46 H new ATOM 0 HD13 LEU A 26 0.260 0.820 -4.865 1.00 2.46 H new ATOM 0 HD21 LEU A 26 -1.359 -0.105 -2.470 1.00 1.78 H new ATOM 0 HD22 LEU A 26 -0.614 1.505 -2.615 1.00 1.78 H new ATOM 0 HD23 LEU A 26 -2.353 1.357 -2.266 1.00 1.78 H new ATOM 380 N THR A 27 -4.738 2.022 -6.333 1.00 0.71 N ATOM 381 CA THR A 27 -5.871 1.251 -6.840 1.00 0.81 C ATOM 382 C THR A 27 -6.046 1.344 -8.366 1.00 0.73 C ATOM 383 O THR A 27 -6.783 0.538 -8.931 1.00 1.13 O ATOM 384 CB THR A 27 -7.169 1.600 -6.098 1.00 0.97 C ATOM 385 OG1 THR A 27 -7.416 2.988 -6.123 1.00 1.67 O ATOM 386 CG2 THR A 27 -7.138 1.115 -4.646 1.00 2.24 C ATOM 0 H THR A 27 -4.979 2.744 -5.654 1.00 0.71 H new ATOM 0 HA THR A 27 -5.636 0.207 -6.633 1.00 0.81 H new ATOM 0 HB THR A 27 -7.976 1.086 -6.620 1.00 0.97 H new ATOM 0 HG1 THR A 27 -6.825 3.437 -5.483 1.00 1.67 H new ATOM 0 HG21 THR A 27 -8.074 1.380 -4.154 1.00 2.24 H new ATOM 0 HG22 THR A 27 -7.012 0.032 -4.627 1.00 2.24 H new ATOM 0 HG23 THR A 27 -6.306 1.586 -4.123 1.00 2.24 H new ATOM 394 N LYS A 28 -5.371 2.272 -9.061 1.00 0.69 N ATOM 395 CA LYS A 28 -5.435 2.322 -10.516 1.00 0.68 C ATOM 396 C LYS A 28 -4.793 1.092 -11.170 1.00 0.67 C ATOM 397 O LYS A 28 -5.103 0.784 -12.320 1.00 0.85 O ATOM 398 CB LYS A 28 -4.848 3.643 -11.044 1.00 0.87 C ATOM 399 CG LYS A 28 -3.319 3.675 -11.229 1.00 1.43 C ATOM 400 CD LYS A 28 -2.884 3.476 -12.690 1.00 2.50 C ATOM 401 CE LYS A 28 -3.143 4.739 -13.530 1.00 3.35 C ATOM 402 NZ LYS A 28 -2.738 4.561 -14.939 1.00 4.82 N ATOM 0 H LYS A 28 -4.782 2.989 -8.637 1.00 0.69 H new ATOM 0 HA LYS A 28 -6.487 2.294 -10.801 1.00 0.68 H new ATOM 0 HB2 LYS A 28 -5.315 3.868 -12.003 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -5.128 4.442 -10.358 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -2.935 4.630 -10.869 1.00 1.43 H new ATOM 0 HG3 LYS A 28 -2.868 2.897 -10.613 1.00 1.43 H new ATOM 0 HD2 LYS A 28 -1.824 3.225 -12.725 1.00 2.50 H new ATOM 0 HD3 LYS A 28 -3.425 2.633 -13.121 1.00 2.50 H new ATOM 0 HE2 LYS A 28 -4.202 4.992 -13.487 1.00 3.35 H new ATOM 0 HE3 LYS A 28 -2.597 5.579 -13.100 1.00 3.35 H new ATOM 0 HZ1 LYS A 28 -2.930 5.435 -15.468 1.00 4.82 H new ATOM 0 HZ2 LYS A 28 -1.722 4.345 -14.983 1.00 4.82 H new ATOM 0 HZ3 LYS A 28 -3.277 3.777 -15.359 1.00 4.82 H new ATOM 416 N HIS A 29 -3.855 0.423 -10.487 1.00 0.61 N ATOM 417 CA HIS A 29 -3.156 -0.715 -11.069 1.00 0.79 C ATOM 418 C HIS A 29 -4.029 -1.966 -10.959 1.00 0.89 C ATOM 419 O HIS A 29 -4.529 -2.288 -9.881 1.00 1.57 O ATOM 420 CB HIS A 29 -1.801 -0.924 -10.382 1.00 1.03 C ATOM 421 CG HIS A 29 -0.956 0.324 -10.322 1.00 1.24 C ATOM 422 ND1 HIS A 29 -0.445 1.033 -11.385 1.00 2.28 N ATOM 423 CD2 HIS A 29 -0.635 1.009 -9.184 1.00 1.10 C ATOM 424 CE1 HIS A 29 0.157 2.128 -10.881 1.00 2.33 C ATOM 425 NE2 HIS A 29 0.053 2.164 -9.547 1.00 1.50 N ATOM 0 H HIS A 29 -3.568 0.654 -9.536 1.00 0.61 H new ATOM 0 HA HIS A 29 -2.964 -0.516 -12.124 1.00 0.79 H new ATOM 0 HB2 HIS A 29 -1.969 -1.288 -9.368 1.00 1.03 H new ATOM 0 HB3 HIS A 29 -1.250 -1.701 -10.912 1.00 1.03 H new ATOM 0 HD1 HIS A 29 -0.510 0.777 -12.370 1.00 2.28 H new ATOM 0 HD2 HIS A 29 -0.874 0.706 -8.175 1.00 1.10 H new ATOM 0 HE1 HIS A 29 0.658 2.878 -11.475 1.00 2.33 H new ATOM 433 N ARG A 30 -4.192 -2.701 -12.066 1.00 1.10 N ATOM 434 CA ARG A 30 -4.808 -4.015 -12.008 1.00 1.34 C ATOM 435 C ARG A 30 -3.991 -4.891 -11.059 1.00 1.55 C ATOM 436 O ARG A 30 -2.794 -4.670 -10.888 1.00 3.54 O ATOM 437 CB ARG A 30 -4.871 -4.649 -13.403 1.00 1.77 C ATOM 438 CG ARG A 30 -5.802 -3.870 -14.340 1.00 2.19 C ATOM 439 CD ARG A 30 -5.924 -4.607 -15.679 1.00 3.20 C ATOM 440 NE ARG A 30 -6.856 -3.918 -16.585 1.00 4.02 N ATOM 441 CZ ARG A 30 -7.208 -4.363 -17.802 1.00 5.35 C ATOM 442 NH1 ARG A 30 -6.679 -5.498 -18.274 1.00 6.14 N ATOM 443 NH2 ARG A 30 -8.085 -3.673 -18.541 1.00 6.39 N ATOM 0 H ARG A 30 -3.906 -2.405 -12.999 1.00 1.10 H new ATOM 0 HA ARG A 30 -5.831 -3.924 -11.642 1.00 1.34 H new ATOM 0 HB2 ARG A 30 -3.870 -4.684 -13.832 1.00 1.77 H new ATOM 0 HB3 ARG A 30 -5.218 -5.679 -13.319 1.00 1.77 H new ATOM 0 HG2 ARG A 30 -6.786 -3.761 -13.883 1.00 2.19 H new ATOM 0 HG3 ARG A 30 -5.413 -2.865 -14.502 1.00 2.19 H new ATOM 0 HD2 ARG A 30 -4.943 -4.678 -16.148 1.00 3.20 H new ATOM 0 HD3 ARG A 30 -6.269 -5.626 -15.505 1.00 3.20 H new ATOM 0 HE ARG A 30 -7.264 -3.039 -16.266 1.00 4.02 H new ATOM 0 HH11 ARG A 30 -6.010 -6.022 -17.710 1.00 6.14 H new ATOM 0 HH12 ARG A 30 -6.944 -5.839 -19.198 1.00 6.14 H new ATOM 0 HH21 ARG A 30 -8.487 -2.808 -18.180 1.00 6.39 H new ATOM 0 HH22 ARG A 30 -8.351 -4.012 -19.465 1.00 6.39 H new ATOM 457 N GLY A 31 -4.643 -5.865 -10.430 1.00 0.96 N ATOM 458 CA GLY A 31 -4.005 -6.718 -9.446 1.00 0.83 C ATOM 459 C GLY A 31 -4.263 -6.212 -8.036 1.00 0.70 C ATOM 460 O GLY A 31 -4.274 -7.009 -7.107 1.00 1.02 O ATOM 0 H GLY A 31 -5.627 -6.081 -10.591 1.00 0.96 H new ATOM 0 HA2 GLY A 31 -4.380 -7.737 -9.545 1.00 0.83 H new ATOM 0 HA3 GLY A 31 -2.932 -6.754 -9.632 1.00 0.83 H new ATOM 464 N ILE A 32 -4.477 -4.908 -7.842 1.00 0.68 N ATOM 465 CA ILE A 32 -4.847 -4.383 -6.539 1.00 0.75 C ATOM 466 C ILE A 32 -6.342 -4.652 -6.350 1.00 0.72 C ATOM 467 O ILE A 32 -7.149 -4.205 -7.162 1.00 0.99 O ATOM 468 CB ILE A 32 -4.514 -2.884 -6.469 1.00 1.06 C ATOM 469 CG1 ILE A 32 -3.060 -2.570 -6.867 1.00 2.17 C ATOM 470 CG2 ILE A 32 -4.792 -2.351 -5.061 1.00 2.17 C ATOM 471 CD1 ILE A 32 -2.021 -3.094 -5.876 1.00 4.08 C ATOM 0 H ILE A 32 -4.399 -4.202 -8.574 1.00 0.68 H new ATOM 0 HA ILE A 32 -4.290 -4.866 -5.736 1.00 0.75 H new ATOM 0 HB ILE A 32 -5.157 -2.386 -7.194 1.00 1.06 H new ATOM 0 HG12 ILE A 32 -2.861 -3.000 -7.849 1.00 2.17 H new ATOM 0 HG13 ILE A 32 -2.945 -1.490 -6.963 1.00 2.17 H new ATOM 0 HG21 ILE A 32 -4.553 -1.288 -5.021 1.00 2.17 H new ATOM 0 HG22 ILE A 32 -5.845 -2.496 -4.818 1.00 2.17 H new ATOM 0 HG23 ILE A 32 -4.176 -2.889 -4.340 1.00 2.17 H new ATOM 0 HD11 ILE A 32 -1.022 -2.834 -6.225 1.00 4.08 H new ATOM 0 HD12 ILE A 32 -2.192 -2.645 -4.898 1.00 4.08 H new ATOM 0 HD13 ILE A 32 -2.107 -4.178 -5.797 1.00 4.08 H new ATOM 483 N LEU A 33 -6.711 -5.390 -5.301 1.00 0.58 N ATOM 484 CA LEU A 33 -8.098 -5.742 -5.019 1.00 0.63 C ATOM 485 C LEU A 33 -8.677 -4.737 -4.035 1.00 0.63 C ATOM 486 O LEU A 33 -9.805 -4.283 -4.208 1.00 0.74 O ATOM 487 CB LEU A 33 -8.209 -7.162 -4.445 1.00 0.69 C ATOM 488 CG LEU A 33 -7.782 -8.261 -5.427 1.00 0.94 C ATOM 489 CD1 LEU A 33 -7.660 -9.592 -4.676 1.00 1.87 C ATOM 490 CD2 LEU A 33 -8.789 -8.414 -6.575 1.00 1.46 C ATOM 0 H LEU A 33 -6.048 -5.761 -4.620 1.00 0.58 H new ATOM 0 HA LEU A 33 -8.660 -5.716 -5.953 1.00 0.63 H new ATOM 0 HB2 LEU A 33 -7.594 -7.230 -3.548 1.00 0.69 H new ATOM 0 HB3 LEU A 33 -9.240 -7.341 -4.139 1.00 0.69 H new ATOM 0 HG LEU A 33 -6.821 -7.978 -5.856 1.00 0.94 H new ATOM 0 HD11 LEU A 33 -7.357 -10.375 -5.371 1.00 1.87 H new ATOM 0 HD12 LEU A 33 -6.914 -9.498 -3.887 1.00 1.87 H new ATOM 0 HD13 LEU A 33 -8.623 -9.851 -4.235 1.00 1.87 H new ATOM 0 HD21 LEU A 33 -8.454 -9.201 -7.250 1.00 1.46 H new ATOM 0 HD22 LEU A 33 -9.766 -8.676 -6.169 1.00 1.46 H new ATOM 0 HD23 LEU A 33 -8.863 -7.474 -7.122 1.00 1.46 H new ATOM 502 N TYR A 34 -7.920 -4.400 -2.986 1.00 0.57 N ATOM 503 CA TYR A 34 -8.370 -3.449 -1.989 1.00 0.63 C ATOM 504 C TYR A 34 -7.161 -2.787 -1.348 1.00 0.59 C ATOM 505 O TYR A 34 -6.086 -3.382 -1.304 1.00 0.53 O ATOM 506 CB TYR A 34 -9.227 -4.164 -0.938 1.00 0.68 C ATOM 507 CG TYR A 34 -9.813 -3.243 0.109 1.00 0.77 C ATOM 508 CD1 TYR A 34 -10.713 -2.233 -0.276 1.00 1.70 C ATOM 509 CD2 TYR A 34 -9.394 -3.340 1.448 1.00 2.41 C ATOM 510 CE1 TYR A 34 -11.164 -1.297 0.670 1.00 1.68 C ATOM 511 CE2 TYR A 34 -9.891 -2.438 2.403 1.00 2.52 C ATOM 512 CZ TYR A 34 -10.744 -1.394 2.008 1.00 1.05 C ATOM 513 OH TYR A 34 -11.191 -0.502 2.934 1.00 1.27 O ATOM 0 H TYR A 34 -6.989 -4.779 -2.813 1.00 0.57 H new ATOM 0 HA TYR A 34 -8.982 -2.679 -2.459 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -10.039 -4.688 -1.442 1.00 0.68 H new ATOM 0 HB3 TYR A 34 -8.619 -4.921 -0.442 1.00 0.68 H new ATOM 0 HD1 TYR A 34 -11.057 -2.177 -1.298 1.00 1.70 H new ATOM 0 HD2 TYR A 34 -8.692 -4.106 1.741 1.00 2.41 H new ATOM 0 HE1 TYR A 34 -11.833 -0.504 0.369 1.00 1.68 H new ATOM 0 HE2 TYR A 34 -9.617 -2.547 3.442 1.00 2.52 H new ATOM 0 HH TYR A 34 -11.005 -0.844 3.834 1.00 1.27 H new ATOM 523 N CYS A 35 -7.367 -1.568 -0.850 1.00 0.67 N ATOM 524 CA CYS A 35 -6.402 -0.742 -0.149 1.00 0.63 C ATOM 525 C CYS A 35 -7.169 -0.111 1.004 1.00 0.70 C ATOM 526 O CYS A 35 -8.286 0.361 0.801 1.00 1.08 O ATOM 527 CB CYS A 35 -5.867 0.352 -1.075 1.00 0.73 C ATOM 528 SG CYS A 35 -4.780 -0.331 -2.339 1.00 2.29 S ATOM 0 H CYS A 35 -8.273 -1.107 -0.934 1.00 0.67 H new ATOM 0 HA CYS A 35 -5.548 -1.326 0.196 1.00 0.63 H new ATOM 0 HB2 CYS A 35 -6.701 0.868 -1.550 1.00 0.73 H new ATOM 0 HB3 CYS A 35 -5.325 1.094 -0.489 1.00 0.73 H new ATOM 0 HG CYS A 35 -4.903 -1.625 -2.364 1.00 2.29 H new ATOM 534 N SER A 36 -6.595 -0.149 2.203 1.00 0.57 N ATOM 535 CA SER A 36 -7.030 0.625 3.354 1.00 0.66 C ATOM 536 C SER A 36 -5.761 1.203 3.972 1.00 0.53 C ATOM 537 O SER A 36 -5.151 0.543 4.820 1.00 0.74 O ATOM 538 CB SER A 36 -7.826 -0.276 4.313 1.00 0.89 C ATOM 539 OG SER A 36 -7.715 0.129 5.666 1.00 1.93 O ATOM 0 H SER A 36 -5.788 -0.740 2.403 1.00 0.57 H new ATOM 0 HA SER A 36 -7.706 1.439 3.093 1.00 0.66 H new ATOM 0 HB2 SER A 36 -8.876 -0.270 4.022 1.00 0.89 H new ATOM 0 HB3 SER A 36 -7.474 -1.303 4.216 1.00 0.89 H new ATOM 0 HG SER A 36 -8.240 -0.475 6.232 1.00 1.93 H new ATOM 545 N VAL A 37 -5.354 2.396 3.526 1.00 0.47 N ATOM 546 CA VAL A 37 -4.175 3.098 4.017 1.00 0.52 C ATOM 547 C VAL A 37 -4.555 4.153 5.066 1.00 0.70 C ATOM 548 O VAL A 37 -5.544 4.862 4.903 1.00 1.05 O ATOM 549 CB VAL A 37 -3.331 3.639 2.842 1.00 0.85 C ATOM 550 CG1 VAL A 37 -4.103 4.514 1.858 1.00 1.58 C ATOM 551 CG2 VAL A 37 -2.106 4.386 3.355 1.00 2.39 C ATOM 0 H VAL A 37 -5.850 2.908 2.797 1.00 0.47 H new ATOM 0 HA VAL A 37 -3.529 2.394 4.542 1.00 0.52 H new ATOM 0 HB VAL A 37 -3.024 2.756 2.282 1.00 0.85 H new ATOM 0 HG11 VAL A 37 -3.433 4.850 1.066 1.00 1.58 H new ATOM 0 HG12 VAL A 37 -4.920 3.938 1.422 1.00 1.58 H new ATOM 0 HG13 VAL A 37 -4.508 5.380 2.382 1.00 1.58 H new ATOM 0 HG21 VAL A 37 -1.526 4.758 2.510 1.00 2.39 H new ATOM 0 HG22 VAL A 37 -2.424 5.225 3.974 1.00 2.39 H new ATOM 0 HG23 VAL A 37 -1.490 3.710 3.948 1.00 2.39 H new ATOM 561 N ALA A 38 -3.783 4.259 6.159 1.00 0.60 N ATOM 562 CA ALA A 38 -3.973 5.266 7.188 1.00 0.79 C ATOM 563 C ALA A 38 -2.637 5.704 7.781 1.00 0.78 C ATOM 564 O ALA A 38 -1.816 4.873 8.171 1.00 0.75 O ATOM 565 CB ALA A 38 -4.823 4.695 8.314 1.00 0.87 C ATOM 0 H ALA A 38 -3.000 3.633 6.346 1.00 0.60 H new ATOM 0 HA ALA A 38 -4.464 6.123 6.727 1.00 0.79 H new ATOM 0 HB1 ALA A 38 -4.963 5.453 9.084 1.00 0.87 H new ATOM 0 HB2 ALA A 38 -5.794 4.394 7.920 1.00 0.87 H new ATOM 0 HB3 ALA A 38 -4.321 3.829 8.745 1.00 0.87 H new ATOM 571 N LEU A 39 -2.473 7.022 7.917 1.00 0.94 N ATOM 572 CA LEU A 39 -1.370 7.652 8.639 1.00 0.96 C ATOM 573 C LEU A 39 -1.532 7.461 10.141 1.00 0.88 C ATOM 574 O LEU A 39 -0.542 7.260 10.836 1.00 0.90 O ATOM 575 CB LEU A 39 -1.186 9.125 8.224 1.00 1.27 C ATOM 576 CG LEU A 39 -2.224 10.128 8.767 1.00 1.02 C ATOM 577 CD1 LEU A 39 -1.835 10.692 10.144 1.00 2.03 C ATOM 578 CD2 LEU A 39 -2.316 11.329 7.818 1.00 1.14 C ATOM 0 H LEU A 39 -3.123 7.698 7.516 1.00 0.94 H new ATOM 0 HA LEU A 39 -0.442 7.153 8.360 1.00 0.96 H new ATOM 0 HB2 LEU A 39 -0.197 9.449 8.547 1.00 1.27 H new ATOM 0 HB3 LEU A 39 -1.199 9.177 7.135 1.00 1.27 H new ATOM 0 HG LEU A 39 -3.165 9.585 8.849 1.00 1.02 H new ATOM 0 HD11 LEU A 39 -2.600 11.393 10.479 1.00 2.03 H new ATOM 0 HD12 LEU A 39 -1.751 9.875 10.861 1.00 2.03 H new ATOM 0 HD13 LEU A 39 -0.878 11.208 10.069 1.00 2.03 H new ATOM 0 HD21 LEU A 39 -3.049 12.039 8.200 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -1.342 11.814 7.750 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -2.622 10.988 6.829 1.00 1.14 H new ATOM 590 N ALA A 40 -2.778 7.457 10.631 1.00 1.00 N ATOM 591 CA ALA A 40 -3.089 7.307 12.050 1.00 1.09 C ATOM 592 C ALA A 40 -2.414 6.071 12.649 1.00 0.98 C ATOM 593 O ALA A 40 -2.048 6.068 13.820 1.00 1.17 O ATOM 594 CB ALA A 40 -4.606 7.238 12.233 1.00 1.34 C ATOM 0 H ALA A 40 -3.605 7.559 10.043 1.00 1.00 H new ATOM 0 HA ALA A 40 -2.698 8.174 12.583 1.00 1.09 H new ATOM 0 HB1 ALA A 40 -4.840 7.126 13.292 1.00 1.34 H new ATOM 0 HB2 ALA A 40 -5.060 8.154 11.856 1.00 1.34 H new ATOM 0 HB3 ALA A 40 -5.001 6.384 11.682 1.00 1.34 H new ATOM 600 N THR A 41 -2.258 5.025 11.834 1.00 0.92 N ATOM 601 CA THR A 41 -1.594 3.782 12.196 1.00 0.86 C ATOM 602 C THR A 41 -0.397 3.502 11.289 1.00 0.77 C ATOM 603 O THR A 41 0.141 2.398 11.326 1.00 1.09 O ATOM 604 CB THR A 41 -2.647 2.655 12.183 1.00 0.98 C ATOM 605 OG1 THR A 41 -2.095 1.377 12.432 1.00 2.23 O ATOM 606 CG2 THR A 41 -3.449 2.621 10.881 1.00 2.56 C ATOM 0 H THR A 41 -2.603 5.025 10.874 1.00 0.92 H new ATOM 0 HA THR A 41 -1.175 3.852 13.200 1.00 0.86 H new ATOM 0 HB THR A 41 -3.323 2.895 13.004 1.00 0.98 H new ATOM 0 HG1 THR A 41 -1.170 1.351 12.108 1.00 2.23 H new ATOM 0 HG21 THR A 41 -4.176 1.810 10.923 1.00 2.56 H new ATOM 0 HG22 THR A 41 -3.970 3.569 10.750 1.00 2.56 H new ATOM 0 HG23 THR A 41 -2.773 2.459 10.041 1.00 2.56 H new ATOM 614 N ASN A 42 0.018 4.493 10.494 1.00 0.72 N ATOM 615 CA ASN A 42 1.073 4.401 9.496 1.00 0.71 C ATOM 616 C ASN A 42 1.115 3.050 8.809 1.00 0.73 C ATOM 617 O ASN A 42 2.170 2.431 8.733 1.00 0.97 O ATOM 618 CB ASN A 42 2.423 4.802 10.118 1.00 0.83 C ATOM 619 CG ASN A 42 2.532 6.309 10.106 1.00 1.13 C ATOM 620 OD1 ASN A 42 2.714 6.969 11.124 1.00 1.62 O ATOM 621 ND2 ASN A 42 2.432 6.878 8.916 1.00 2.12 N ATOM 0 H ASN A 42 -0.397 5.424 10.536 1.00 0.72 H new ATOM 0 HA ASN A 42 0.848 5.111 8.700 1.00 0.71 H new ATOM 0 HB2 ASN A 42 2.496 4.426 11.138 1.00 0.83 H new ATOM 0 HB3 ASN A 42 3.245 4.359 9.556 1.00 0.83 H new ATOM 0 HD21 ASN A 42 2.506 7.891 8.827 1.00 2.12 H new ATOM 0 HD22 ASN A 42 2.281 6.303 8.087 1.00 2.12 H new ATOM 628 N LYS A 43 -0.028 2.607 8.286 1.00 0.61 N ATOM 629 CA LYS A 43 -0.172 1.259 7.774 1.00 0.63 C ATOM 630 C LYS A 43 -1.082 1.283 6.561 1.00 0.56 C ATOM 631 O LYS A 43 -1.948 2.152 6.462 1.00 0.70 O ATOM 632 CB LYS A 43 -0.627 0.312 8.905 1.00 0.92 C ATOM 633 CG LYS A 43 -1.563 -0.839 8.514 1.00 1.79 C ATOM 634 CD LYS A 43 -3.028 -0.359 8.417 1.00 1.29 C ATOM 635 CE LYS A 43 -3.839 -0.730 9.671 1.00 2.10 C ATOM 636 NZ LYS A 43 -4.002 -2.188 9.871 1.00 3.47 N ATOM 0 H LYS A 43 -0.872 3.175 8.209 1.00 0.61 H new ATOM 0 HA LYS A 43 0.782 0.860 7.431 1.00 0.63 H new ATOM 0 HB2 LYS A 43 0.263 -0.116 9.367 1.00 0.92 H new ATOM 0 HB3 LYS A 43 -1.125 0.910 9.668 1.00 0.92 H new ATOM 0 HG2 LYS A 43 -1.250 -1.257 7.557 1.00 1.79 H new ATOM 0 HG3 LYS A 43 -1.488 -1.639 9.251 1.00 1.79 H new ATOM 0 HD2 LYS A 43 -3.047 0.722 8.279 1.00 1.29 H new ATOM 0 HD3 LYS A 43 -3.497 -0.801 7.538 1.00 1.29 H new ATOM 0 HE2 LYS A 43 -3.349 -0.306 10.547 1.00 2.10 H new ATOM 0 HE3 LYS A 43 -4.825 -0.270 9.603 1.00 2.10 H new ATOM 0 HZ1 LYS A 43 -4.680 -2.359 10.640 1.00 3.47 H new ATOM 0 HZ2 LYS A 43 -4.356 -2.621 8.994 1.00 3.47 H new ATOM 0 HZ3 LYS A 43 -3.084 -2.609 10.119 1.00 3.47 H new ATOM 650 N ALA A 44 -0.884 0.328 5.653 1.00 0.54 N ATOM 651 CA ALA A 44 -1.776 0.085 4.543 1.00 0.55 C ATOM 652 C ALA A 44 -2.031 -1.400 4.441 1.00 0.54 C ATOM 653 O ALA A 44 -1.103 -2.181 4.245 1.00 0.64 O ATOM 654 CB ALA A 44 -1.232 0.669 3.243 1.00 0.66 C ATOM 0 H ALA A 44 -0.083 -0.303 5.677 1.00 0.54 H new ATOM 0 HA ALA A 44 -2.723 0.594 4.721 1.00 0.55 H new ATOM 0 HB1 ALA A 44 -1.931 0.465 2.432 1.00 0.66 H new ATOM 0 HB2 ALA A 44 -1.107 1.746 3.352 1.00 0.66 H new ATOM 0 HB3 ALA A 44 -0.269 0.213 3.014 1.00 0.66 H new ATOM 660 N HIS A 45 -3.302 -1.758 4.603 1.00 0.54 N ATOM 661 CA HIS A 45 -3.816 -3.080 4.347 1.00 0.57 C ATOM 662 C HIS A 45 -4.126 -3.132 2.860 1.00 0.54 C ATOM 663 O HIS A 45 -5.087 -2.500 2.421 1.00 0.59 O ATOM 664 CB HIS A 45 -5.043 -3.276 5.236 1.00 0.62 C ATOM 665 CG HIS A 45 -5.499 -4.701 5.278 1.00 0.71 C ATOM 666 ND1 HIS A 45 -5.339 -5.562 6.335 1.00 0.87 N ATOM 667 CD2 HIS A 45 -6.023 -5.402 4.232 1.00 0.77 C ATOM 668 CE1 HIS A 45 -5.773 -6.769 5.931 1.00 1.02 C ATOM 669 NE2 HIS A 45 -6.207 -6.722 4.656 1.00 0.96 N ATOM 0 H HIS A 45 -4.017 -1.107 4.927 1.00 0.54 H new ATOM 0 HA HIS A 45 -3.121 -3.886 4.581 1.00 0.57 H new ATOM 0 HB2 HIS A 45 -4.812 -2.942 6.247 1.00 0.62 H new ATOM 0 HB3 HIS A 45 -5.856 -2.648 4.871 1.00 0.62 H new ATOM 0 HD1 HIS A 45 -4.962 -5.330 7.254 1.00 0.87 H new ATOM 0 HD2 HIS A 45 -6.254 -5.009 3.253 1.00 0.77 H new ATOM 0 HE1 HIS A 45 -5.774 -7.657 6.546 1.00 1.02 H new ATOM 677 N ILE A 46 -3.292 -3.838 2.092 1.00 0.58 N ATOM 678 CA ILE A 46 -3.534 -4.089 0.682 1.00 0.57 C ATOM 679 C ILE A 46 -3.933 -5.553 0.558 1.00 0.60 C ATOM 680 O ILE A 46 -3.308 -6.428 1.160 1.00 0.86 O ATOM 681 CB ILE A 46 -2.319 -3.756 -0.207 1.00 0.59 C ATOM 682 CG1 ILE A 46 -2.092 -2.245 -0.363 1.00 1.28 C ATOM 683 CG2 ILE A 46 -2.547 -4.288 -1.632 1.00 1.33 C ATOM 684 CD1 ILE A 46 -1.602 -1.560 0.904 1.00 1.73 C ATOM 0 H ILE A 46 -2.427 -4.251 2.440 1.00 0.58 H new ATOM 0 HA ILE A 46 -4.327 -3.433 0.324 1.00 0.57 H new ATOM 0 HB ILE A 46 -1.461 -4.215 0.284 1.00 0.59 H new ATOM 0 HG12 ILE A 46 -1.366 -2.077 -1.159 1.00 1.28 H new ATOM 0 HG13 ILE A 46 -3.025 -1.778 -0.679 1.00 1.28 H new ATOM 0 HG21 ILE A 46 -1.684 -4.048 -2.252 1.00 1.33 H new ATOM 0 HG22 ILE A 46 -2.681 -5.369 -1.600 1.00 1.33 H new ATOM 0 HG23 ILE A 46 -3.438 -3.824 -2.055 1.00 1.33 H new ATOM 0 HD11 ILE A 46 -1.466 -0.496 0.713 1.00 1.73 H new ATOM 0 HD12 ILE A 46 -2.337 -1.695 1.698 1.00 1.73 H new ATOM 0 HD13 ILE A 46 -0.652 -1.998 1.210 1.00 1.73 H new ATOM 696 N LYS A 47 -4.962 -5.799 -0.248 1.00 0.50 N ATOM 697 CA LYS A 47 -5.286 -7.109 -0.776 1.00 0.52 C ATOM 698 C LYS A 47 -5.124 -7.017 -2.289 1.00 0.48 C ATOM 699 O LYS A 47 -5.455 -5.983 -2.878 1.00 0.61 O ATOM 700 CB LYS A 47 -6.707 -7.486 -0.369 1.00 0.72 C ATOM 701 CG LYS A 47 -6.808 -7.785 1.127 1.00 0.96 C ATOM 702 CD LYS A 47 -8.207 -8.319 1.456 1.00 1.06 C ATOM 703 CE LYS A 47 -8.354 -8.508 2.972 1.00 1.99 C ATOM 704 NZ LYS A 47 -9.594 -9.226 3.326 1.00 2.93 N ATOM 0 H LYS A 47 -5.606 -5.071 -0.556 1.00 0.50 H new ATOM 0 HA LYS A 47 -4.632 -7.888 -0.384 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -7.386 -6.672 -0.624 1.00 0.72 H new ATOM 0 HB3 LYS A 47 -7.028 -8.359 -0.937 1.00 0.72 H new ATOM 0 HG2 LYS A 47 -6.053 -8.517 1.413 1.00 0.96 H new ATOM 0 HG3 LYS A 47 -6.609 -6.881 1.702 1.00 0.96 H new ATOM 0 HD2 LYS A 47 -8.965 -7.625 1.093 1.00 1.06 H new ATOM 0 HD3 LYS A 47 -8.372 -9.268 0.945 1.00 1.06 H new ATOM 0 HE2 LYS A 47 -7.495 -9.060 3.353 1.00 1.99 H new ATOM 0 HE3 LYS A 47 -8.348 -7.534 3.460 1.00 1.99 H new ATOM 0 HZ1 LYS A 47 -9.652 -9.331 4.359 1.00 2.93 H new ATOM 0 HZ2 LYS A 47 -10.416 -8.687 2.986 1.00 2.93 H new ATOM 0 HZ3 LYS A 47 -9.589 -10.167 2.882 1.00 2.93 H new ATOM 718 N TYR A 48 -4.572 -8.063 -2.907 1.00 0.74 N ATOM 719 CA TYR A 48 -4.106 -8.033 -4.279 1.00 0.79 C ATOM 720 C TYR A 48 -4.031 -9.456 -4.838 1.00 0.74 C ATOM 721 O TYR A 48 -3.982 -10.410 -4.067 1.00 0.84 O ATOM 722 CB TYR A 48 -2.738 -7.333 -4.340 1.00 0.88 C ATOM 723 CG TYR A 48 -1.594 -8.083 -3.677 1.00 0.83 C ATOM 724 CD1 TYR A 48 -1.501 -8.157 -2.274 1.00 1.61 C ATOM 725 CD2 TYR A 48 -0.611 -8.705 -4.471 1.00 1.70 C ATOM 726 CE1 TYR A 48 -0.462 -8.888 -1.674 1.00 1.68 C ATOM 727 CE2 TYR A 48 0.456 -9.390 -3.865 1.00 1.71 C ATOM 728 CZ TYR A 48 0.515 -9.505 -2.469 1.00 0.98 C ATOM 729 OH TYR A 48 1.497 -10.243 -1.879 1.00 1.12 O ATOM 0 H TYR A 48 -4.438 -8.966 -2.453 1.00 0.74 H new ATOM 0 HA TYR A 48 -4.807 -7.470 -4.895 1.00 0.79 H new ATOM 0 HB2 TYR A 48 -2.482 -7.163 -5.386 1.00 0.88 H new ATOM 0 HB3 TYR A 48 -2.828 -6.353 -3.871 1.00 0.88 H new ATOM 0 HD1 TYR A 48 -2.230 -7.651 -1.658 1.00 1.61 H new ATOM 0 HD2 TYR A 48 -0.677 -8.655 -5.548 1.00 1.70 H new ATOM 0 HE1 TYR A 48 -0.416 -8.975 -0.599 1.00 1.68 H new ATOM 0 HE2 TYR A 48 1.232 -9.828 -4.475 1.00 1.71 H new ATOM 0 HH TYR A 48 2.094 -10.604 -2.568 1.00 1.12 H new ATOM 739 N ASP A 49 -4.001 -9.597 -6.163 1.00 0.73 N ATOM 740 CA ASP A 49 -3.796 -10.864 -6.854 1.00 0.84 C ATOM 741 C ASP A 49 -2.279 -11.054 -7.010 1.00 0.80 C ATOM 742 O ASP A 49 -1.658 -10.297 -7.765 1.00 0.84 O ATOM 743 CB ASP A 49 -4.455 -10.814 -8.244 1.00 0.98 C ATOM 744 CG ASP A 49 -5.927 -10.435 -8.206 1.00 2.64 C ATOM 745 OD1 ASP A 49 -6.732 -11.299 -7.799 1.00 3.55 O ATOM 746 OD2 ASP A 49 -6.221 -9.282 -8.595 1.00 4.04 O ATOM 0 H ASP A 49 -4.122 -8.810 -6.800 1.00 0.73 H new ATOM 0 HA ASP A 49 -4.238 -11.687 -6.293 1.00 0.84 H new ATOM 0 HB2 ASP A 49 -3.919 -10.096 -8.865 1.00 0.98 H new ATOM 0 HB3 ASP A 49 -4.351 -11.788 -8.721 1.00 0.98 H new ATOM 751 N PRO A 50 -1.648 -12.017 -6.314 1.00 0.83 N ATOM 752 CA PRO A 50 -0.200 -12.127 -6.201 1.00 0.85 C ATOM 753 C PRO A 50 0.392 -12.807 -7.439 1.00 1.03 C ATOM 754 O PRO A 50 1.044 -13.846 -7.346 1.00 2.04 O ATOM 755 CB PRO A 50 0.023 -12.927 -4.912 1.00 0.99 C ATOM 756 CG PRO A 50 -1.166 -13.887 -4.916 1.00 1.02 C ATOM 757 CD PRO A 50 -2.291 -13.037 -5.509 1.00 0.95 C ATOM 0 HA PRO A 50 0.302 -11.161 -6.152 1.00 0.85 H new ATOM 0 HB2 PRO A 50 0.975 -13.458 -4.922 1.00 0.99 H new ATOM 0 HB3 PRO A 50 0.025 -12.286 -4.030 1.00 0.99 H new ATOM 0 HG2 PRO A 50 -0.968 -14.773 -5.520 1.00 1.02 H new ATOM 0 HG3 PRO A 50 -1.408 -14.234 -3.911 1.00 1.02 H new ATOM 0 HD2 PRO A 50 -2.961 -13.647 -6.116 1.00 0.95 H new ATOM 0 HD3 PRO A 50 -2.895 -12.587 -4.721 1.00 0.95 H new ATOM 765 N GLU A 51 0.157 -12.197 -8.598 1.00 0.86 N ATOM 766 CA GLU A 51 0.494 -12.720 -9.911 1.00 0.91 C ATOM 767 C GLU A 51 0.354 -11.599 -10.940 1.00 0.89 C ATOM 768 O GLU A 51 1.260 -11.370 -11.736 1.00 1.33 O ATOM 769 CB GLU A 51 -0.365 -13.955 -10.237 1.00 1.07 C ATOM 770 CG GLU A 51 -1.875 -13.780 -10.007 1.00 2.26 C ATOM 771 CD GLU A 51 -2.592 -15.108 -10.203 1.00 2.39 C ATOM 772 OE1 GLU A 51 -2.842 -15.443 -11.380 1.00 2.90 O ATOM 773 OE2 GLU A 51 -2.847 -15.773 -9.175 1.00 2.83 O ATOM 0 H GLU A 51 -0.294 -11.283 -8.645 1.00 0.86 H new ATOM 0 HA GLU A 51 1.529 -13.062 -9.933 1.00 0.91 H new ATOM 0 HB2 GLU A 51 -0.201 -14.227 -11.280 1.00 1.07 H new ATOM 0 HB3 GLU A 51 -0.016 -14.791 -9.631 1.00 1.07 H new ATOM 0 HG2 GLU A 51 -2.056 -13.405 -9.000 1.00 2.26 H new ATOM 0 HG3 GLU A 51 -2.272 -13.038 -10.699 1.00 2.26 H new ATOM 780 N ILE A 52 -0.757 -10.858 -10.882 1.00 0.80 N ATOM 781 CA ILE A 52 -0.920 -9.639 -11.664 1.00 0.85 C ATOM 782 C ILE A 52 0.079 -8.584 -11.181 1.00 0.76 C ATOM 783 O ILE A 52 0.615 -7.831 -11.992 1.00 0.94 O ATOM 784 CB ILE A 52 -2.364 -9.112 -11.560 1.00 0.93 C ATOM 785 CG1 ILE A 52 -3.426 -10.103 -12.074 1.00 1.85 C ATOM 786 CG2 ILE A 52 -2.507 -7.775 -12.303 1.00 2.08 C ATOM 787 CD1 ILE A 52 -3.488 -10.205 -13.601 1.00 2.51 C ATOM 0 H ILE A 52 -1.559 -11.088 -10.296 1.00 0.80 H new ATOM 0 HA ILE A 52 -0.723 -9.861 -12.713 1.00 0.85 H new ATOM 0 HB ILE A 52 -2.550 -8.974 -10.495 1.00 0.93 H new ATOM 0 HG12 ILE A 52 -3.218 -11.090 -11.661 1.00 1.85 H new ATOM 0 HG13 ILE A 52 -4.404 -9.800 -11.699 1.00 1.85 H new ATOM 0 HG21 ILE A 52 -3.534 -7.419 -12.218 1.00 2.08 H new ATOM 0 HG22 ILE A 52 -1.831 -7.041 -11.864 1.00 2.08 H new ATOM 0 HG23 ILE A 52 -2.258 -7.915 -13.355 1.00 2.08 H new ATOM 0 HD11 ILE A 52 -4.258 -10.921 -13.887 1.00 2.51 H new ATOM 0 HD12 ILE A 52 -3.727 -9.228 -14.022 1.00 2.51 H new ATOM 0 HD13 ILE A 52 -2.523 -10.538 -13.983 1.00 2.51 H new ATOM 799 N ILE A 53 0.304 -8.495 -9.865 1.00 0.64 N ATOM 800 CA ILE A 53 1.136 -7.491 -9.250 1.00 0.68 C ATOM 801 C ILE A 53 1.678 -8.126 -7.968 1.00 0.74 C ATOM 802 O ILE A 53 1.068 -9.057 -7.443 1.00 1.29 O ATOM 803 CB ILE A 53 0.293 -6.215 -9.020 1.00 0.90 C ATOM 804 CG1 ILE A 53 1.139 -4.989 -9.368 1.00 1.29 C ATOM 805 CG2 ILE A 53 -0.330 -6.149 -7.617 1.00 1.02 C ATOM 806 CD1 ILE A 53 0.505 -3.660 -8.954 1.00 0.86 C ATOM 0 H ILE A 53 -0.105 -9.144 -9.193 1.00 0.64 H new ATOM 0 HA ILE A 53 1.979 -7.177 -9.865 1.00 0.68 H new ATOM 0 HB ILE A 53 -0.568 -6.239 -9.688 1.00 0.90 H new ATOM 0 HG12 ILE A 53 2.112 -5.082 -8.885 1.00 1.29 H new ATOM 0 HG13 ILE A 53 1.317 -4.976 -10.443 1.00 1.29 H new ATOM 0 HG21 ILE A 53 -0.909 -5.231 -7.519 1.00 1.02 H new ATOM 0 HG22 ILE A 53 -0.984 -7.008 -7.469 1.00 1.02 H new ATOM 0 HG23 ILE A 53 0.461 -6.162 -6.867 1.00 1.02 H new ATOM 0 HD11 ILE A 53 1.165 -2.839 -9.235 1.00 0.86 H new ATOM 0 HD12 ILE A 53 -0.455 -3.542 -9.457 1.00 0.86 H new ATOM 0 HD13 ILE A 53 0.352 -3.650 -7.875 1.00 0.86 H new ATOM 818 N GLY A 54 2.826 -7.661 -7.484 1.00 0.90 N ATOM 819 CA GLY A 54 3.498 -8.174 -6.302 1.00 1.06 C ATOM 820 C GLY A 54 3.594 -7.124 -5.191 1.00 0.95 C ATOM 821 O GLY A 54 3.241 -5.956 -5.373 1.00 0.96 O ATOM 0 H GLY A 54 3.329 -6.889 -7.922 1.00 0.90 H new ATOM 0 HA2 GLY A 54 2.960 -9.046 -5.930 1.00 1.06 H new ATOM 0 HA3 GLY A 54 4.500 -8.508 -6.572 1.00 1.06 H new ATOM 825 N PRO A 55 4.091 -7.533 -4.012 1.00 0.94 N ATOM 826 CA PRO A 55 4.281 -6.645 -2.876 1.00 0.93 C ATOM 827 C PRO A 55 5.321 -5.573 -3.205 1.00 0.79 C ATOM 828 O PRO A 55 5.146 -4.416 -2.830 1.00 0.85 O ATOM 829 CB PRO A 55 4.710 -7.549 -1.716 1.00 1.06 C ATOM 830 CG PRO A 55 5.357 -8.751 -2.407 1.00 1.07 C ATOM 831 CD PRO A 55 4.557 -8.876 -3.704 1.00 1.04 C ATOM 0 HA PRO A 55 3.375 -6.099 -2.615 1.00 0.93 H new ATOM 0 HB2 PRO A 55 5.412 -7.043 -1.054 1.00 1.06 H new ATOM 0 HB3 PRO A 55 3.857 -7.849 -1.107 1.00 1.06 H new ATOM 0 HG2 PRO A 55 6.416 -8.583 -2.601 1.00 1.07 H new ATOM 0 HG3 PRO A 55 5.284 -9.653 -1.799 1.00 1.07 H new ATOM 0 HD2 PRO A 55 5.177 -9.269 -4.510 1.00 1.04 H new ATOM 0 HD3 PRO A 55 3.719 -9.563 -3.582 1.00 1.04 H new ATOM 839 N ARG A 56 6.391 -5.952 -3.917 1.00 0.71 N ATOM 840 CA ARG A 56 7.369 -5.021 -4.471 1.00 0.70 C ATOM 841 C ARG A 56 6.665 -3.877 -5.187 1.00 0.71 C ATOM 842 O ARG A 56 6.893 -2.724 -4.836 1.00 0.87 O ATOM 843 CB ARG A 56 8.346 -5.751 -5.410 1.00 0.96 C ATOM 844 CG ARG A 56 9.727 -5.946 -4.772 1.00 1.73 C ATOM 845 CD ARG A 56 9.697 -6.823 -3.514 1.00 3.33 C ATOM 846 NE ARG A 56 11.037 -6.891 -2.907 1.00 4.42 N ATOM 847 CZ ARG A 56 11.325 -7.463 -1.728 1.00 6.11 C ATOM 848 NH1 ARG A 56 10.363 -8.080 -1.034 1.00 7.04 N ATOM 849 NH2 ARG A 56 12.575 -7.414 -1.249 1.00 7.27 N ATOM 0 H ARG A 56 6.600 -6.929 -4.124 1.00 0.71 H new ATOM 0 HA ARG A 56 7.951 -4.599 -3.652 1.00 0.70 H new ATOM 0 HB2 ARG A 56 7.931 -6.723 -5.679 1.00 0.96 H new ATOM 0 HB3 ARG A 56 8.452 -5.183 -6.334 1.00 0.96 H new ATOM 0 HG2 ARG A 56 10.397 -6.396 -5.504 1.00 1.73 H new ATOM 0 HG3 ARG A 56 10.142 -4.971 -4.517 1.00 1.73 H new ATOM 0 HD2 ARG A 56 8.985 -6.416 -2.796 1.00 3.33 H new ATOM 0 HD3 ARG A 56 9.355 -7.826 -3.769 1.00 3.33 H new ATOM 0 HE ARG A 56 11.808 -6.469 -3.425 1.00 4.42 H new ATOM 0 HH11 ARG A 56 9.412 -8.115 -1.401 1.00 7.04 H new ATOM 0 HH12 ARG A 56 10.580 -8.515 -0.138 1.00 7.04 H new ATOM 0 HH21 ARG A 56 13.307 -6.942 -1.780 1.00 7.27 H new ATOM 0 HH22 ARG A 56 12.795 -7.848 -0.353 1.00 7.27 H new ATOM 863 N ASP A 57 5.819 -4.191 -6.169 1.00 0.63 N ATOM 864 CA ASP A 57 5.120 -3.189 -6.950 1.00 0.68 C ATOM 865 C ASP A 57 4.391 -2.228 -6.019 1.00 0.64 C ATOM 866 O ASP A 57 4.605 -1.025 -6.088 1.00 0.70 O ATOM 867 CB ASP A 57 4.129 -3.861 -7.899 1.00 0.80 C ATOM 868 CG ASP A 57 4.749 -5.019 -8.662 1.00 1.25 C ATOM 869 OD1 ASP A 57 4.950 -6.060 -7.995 1.00 2.28 O ATOM 870 OD2 ASP A 57 4.991 -4.858 -9.874 1.00 2.04 O ATOM 0 H ASP A 57 5.604 -5.151 -6.440 1.00 0.63 H new ATOM 0 HA ASP A 57 5.843 -2.628 -7.542 1.00 0.68 H new ATOM 0 HB2 ASP A 57 3.273 -4.222 -7.329 1.00 0.80 H new ATOM 0 HB3 ASP A 57 3.752 -3.123 -8.608 1.00 0.80 H new ATOM 875 N ILE A 58 3.545 -2.756 -5.131 1.00 0.61 N ATOM 876 CA ILE A 58 2.796 -1.952 -4.168 1.00 0.64 C ATOM 877 C ILE A 58 3.730 -1.031 -3.370 1.00 0.69 C ATOM 878 O ILE A 58 3.583 0.193 -3.404 1.00 0.66 O ATOM 879 CB ILE A 58 1.976 -2.887 -3.262 1.00 0.64 C ATOM 880 CG1 ILE A 58 0.833 -3.524 -4.062 1.00 0.63 C ATOM 881 CG2 ILE A 58 1.408 -2.165 -2.033 1.00 0.79 C ATOM 882 CD1 ILE A 58 0.506 -4.918 -3.535 1.00 0.72 C ATOM 0 H ILE A 58 3.361 -3.757 -5.061 1.00 0.61 H new ATOM 0 HA ILE A 58 2.105 -1.296 -4.697 1.00 0.64 H new ATOM 0 HB ILE A 58 2.655 -3.660 -2.901 1.00 0.64 H new ATOM 0 HG12 ILE A 58 -0.053 -2.892 -4.003 1.00 0.63 H new ATOM 0 HG13 ILE A 58 1.111 -3.585 -5.114 1.00 0.63 H new ATOM 0 HG21 ILE A 58 0.838 -2.870 -1.428 1.00 0.79 H new ATOM 0 HG22 ILE A 58 2.227 -1.757 -1.440 1.00 0.79 H new ATOM 0 HG23 ILE A 58 0.755 -1.354 -2.357 1.00 0.79 H new ATOM 0 HD11 ILE A 58 -0.308 -5.347 -4.120 1.00 0.72 H new ATOM 0 HD12 ILE A 58 1.387 -5.554 -3.618 1.00 0.72 H new ATOM 0 HD13 ILE A 58 0.205 -4.850 -2.490 1.00 0.72 H new ATOM 894 N ILE A 59 4.683 -1.621 -2.645 1.00 0.81 N ATOM 895 CA ILE A 59 5.621 -0.895 -1.797 1.00 0.97 C ATOM 896 C ILE A 59 6.299 0.217 -2.595 1.00 1.02 C ATOM 897 O ILE A 59 6.315 1.378 -2.194 1.00 1.07 O ATOM 898 CB ILE A 59 6.634 -1.899 -1.218 1.00 1.01 C ATOM 899 CG1 ILE A 59 5.961 -2.701 -0.090 1.00 1.11 C ATOM 900 CG2 ILE A 59 7.899 -1.194 -0.716 1.00 0.99 C ATOM 901 CD1 ILE A 59 6.678 -4.024 0.181 1.00 1.20 C ATOM 0 H ILE A 59 4.824 -2.631 -2.633 1.00 0.81 H new ATOM 0 HA ILE A 59 5.099 -0.415 -0.969 1.00 0.97 H new ATOM 0 HB ILE A 59 6.946 -2.582 -2.008 1.00 1.01 H new ATOM 0 HG12 ILE A 59 5.948 -2.103 0.821 1.00 1.11 H new ATOM 0 HG13 ILE A 59 4.923 -2.900 -0.356 1.00 1.11 H new ATOM 0 HG21 ILE A 59 8.592 -1.933 -0.314 1.00 0.99 H new ATOM 0 HG22 ILE A 59 8.373 -0.664 -1.543 1.00 0.99 H new ATOM 0 HG23 ILE A 59 7.633 -0.483 0.066 1.00 0.99 H new ATOM 0 HD11 ILE A 59 6.168 -4.556 0.984 1.00 1.20 H new ATOM 0 HD12 ILE A 59 6.669 -4.635 -0.722 1.00 1.20 H new ATOM 0 HD13 ILE A 59 7.709 -3.826 0.474 1.00 1.20 H new ATOM 913 N HIS A 60 6.855 -0.142 -3.744 1.00 1.03 N ATOM 914 CA HIS A 60 7.581 0.787 -4.582 1.00 1.13 C ATOM 915 C HIS A 60 6.638 1.836 -5.189 1.00 0.79 C ATOM 916 O HIS A 60 7.025 2.992 -5.355 1.00 0.79 O ATOM 917 CB HIS A 60 8.351 -0.025 -5.619 1.00 1.46 C ATOM 918 CG HIS A 60 8.952 0.800 -6.712 1.00 1.75 C ATOM 919 ND1 HIS A 60 10.012 1.671 -6.625 1.00 3.62 N ATOM 920 CD2 HIS A 60 8.477 0.836 -7.985 1.00 2.68 C ATOM 921 CE1 HIS A 60 10.174 2.213 -7.845 1.00 4.25 C ATOM 922 NE2 HIS A 60 9.266 1.729 -8.714 1.00 3.99 N ATOM 0 H HIS A 60 6.812 -1.090 -4.118 1.00 1.03 H new ATOM 0 HA HIS A 60 8.299 1.364 -4.000 1.00 1.13 H new ATOM 0 HB2 HIS A 60 9.145 -0.578 -5.117 1.00 1.46 H new ATOM 0 HB3 HIS A 60 7.680 -0.762 -6.061 1.00 1.46 H new ATOM 0 HD1 HIS A 60 10.569 1.868 -5.794 1.00 3.62 H new ATOM 0 HD2 HIS A 60 7.637 0.273 -8.366 1.00 2.68 H new ATOM 0 HE1 HIS A 60 10.932 2.940 -8.095 1.00 4.25 H new ATOM 930 N THR A 61 5.386 1.475 -5.493 1.00 0.60 N ATOM 931 CA THR A 61 4.421 2.441 -6.005 1.00 0.52 C ATOM 932 C THR A 61 4.233 3.524 -4.953 1.00 0.55 C ATOM 933 O THR A 61 4.289 4.708 -5.274 1.00 0.68 O ATOM 934 CB THR A 61 3.093 1.765 -6.379 1.00 0.59 C ATOM 935 OG1 THR A 61 3.305 0.894 -7.468 1.00 0.76 O ATOM 936 CG2 THR A 61 2.025 2.778 -6.803 1.00 0.77 C ATOM 0 H THR A 61 5.024 0.527 -5.393 1.00 0.60 H new ATOM 0 HA THR A 61 4.796 2.890 -6.924 1.00 0.52 H new ATOM 0 HB THR A 61 2.744 1.233 -5.494 1.00 0.59 H new ATOM 0 HG1 THR A 61 3.856 0.137 -7.179 1.00 0.76 H new ATOM 0 HG21 THR A 61 1.105 2.252 -7.058 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.833 3.469 -5.982 1.00 0.77 H new ATOM 0 HG23 THR A 61 2.376 3.335 -7.671 1.00 0.77 H new ATOM 944 N ILE A 62 4.050 3.118 -3.693 1.00 0.56 N ATOM 945 CA ILE A 62 4.001 4.052 -2.582 1.00 0.70 C ATOM 946 C ILE A 62 5.282 4.882 -2.565 1.00 0.71 C ATOM 947 O ILE A 62 5.220 6.112 -2.616 1.00 0.82 O ATOM 948 CB ILE A 62 3.787 3.292 -1.261 1.00 0.82 C ATOM 949 CG1 ILE A 62 2.324 2.866 -1.143 1.00 0.81 C ATOM 950 CG2 ILE A 62 4.143 4.167 -0.048 1.00 1.18 C ATOM 951 CD1 ILE A 62 2.148 1.635 -0.251 1.00 1.31 C ATOM 0 H ILE A 62 3.933 2.141 -3.424 1.00 0.56 H new ATOM 0 HA ILE A 62 3.158 4.733 -2.702 1.00 0.70 H new ATOM 0 HB ILE A 62 4.440 2.419 -1.270 1.00 0.82 H new ATOM 0 HG12 ILE A 62 1.739 3.692 -0.738 1.00 0.81 H new ATOM 0 HG13 ILE A 62 1.929 2.652 -2.136 1.00 0.81 H new ATOM 0 HG21 ILE A 62 3.981 3.601 0.869 1.00 1.18 H new ATOM 0 HG22 ILE A 62 5.189 4.466 -0.110 1.00 1.18 H new ATOM 0 HG23 ILE A 62 3.511 5.055 -0.042 1.00 1.18 H new ATOM 0 HD11 ILE A 62 1.092 1.372 -0.199 1.00 1.31 H new ATOM 0 HD12 ILE A 62 2.710 0.800 -0.669 1.00 1.31 H new ATOM 0 HD13 ILE A 62 2.517 1.856 0.751 1.00 1.31 H new ATOM 963 N GLU A 63 6.434 4.212 -2.467 1.00 0.73 N ATOM 964 CA GLU A 63 7.696 4.886 -2.197 1.00 0.93 C ATOM 965 C GLU A 63 7.930 6.007 -3.215 1.00 0.81 C ATOM 966 O GLU A 63 8.272 7.134 -2.849 1.00 0.90 O ATOM 967 CB GLU A 63 8.846 3.865 -2.068 1.00 1.24 C ATOM 968 CG GLU A 63 9.701 3.671 -3.327 1.00 1.66 C ATOM 969 CD GLU A 63 10.718 2.544 -3.201 1.00 1.40 C ATOM 970 OE1 GLU A 63 10.961 2.100 -2.061 1.00 1.76 O ATOM 971 OE2 GLU A 63 11.219 2.130 -4.269 1.00 2.35 O ATOM 0 H GLU A 63 6.513 3.200 -2.572 1.00 0.73 H new ATOM 0 HA GLU A 63 7.657 5.383 -1.228 1.00 0.93 H new ATOM 0 HB2 GLU A 63 9.497 4.179 -1.252 1.00 1.24 H new ATOM 0 HB3 GLU A 63 8.423 2.901 -1.785 1.00 1.24 H new ATOM 0 HG2 GLU A 63 9.046 3.466 -4.174 1.00 1.66 H new ATOM 0 HG3 GLU A 63 10.226 4.601 -3.548 1.00 1.66 H new ATOM 978 N SER A 64 7.656 5.696 -4.488 1.00 0.72 N ATOM 979 CA SER A 64 7.950 6.532 -5.640 1.00 0.75 C ATOM 980 C SER A 64 7.217 7.873 -5.642 1.00 0.67 C ATOM 981 O SER A 64 7.599 8.746 -6.416 1.00 0.78 O ATOM 982 CB SER A 64 7.639 5.769 -6.930 1.00 0.80 C ATOM 983 OG SER A 64 8.456 4.622 -7.022 1.00 2.53 O ATOM 0 H SER A 64 7.205 4.818 -4.745 1.00 0.72 H new ATOM 0 HA SER A 64 9.012 6.768 -5.578 1.00 0.75 H new ATOM 0 HB2 SER A 64 6.588 5.479 -6.946 1.00 0.80 H new ATOM 0 HB3 SER A 64 7.805 6.414 -7.793 1.00 0.80 H new ATOM 0 HG SER A 64 8.082 3.908 -6.465 1.00 2.53 H new ATOM 989 N LEU A 65 6.172 8.055 -4.825 1.00 0.79 N ATOM 990 CA LEU A 65 5.598 9.380 -4.651 1.00 0.99 C ATOM 991 C LEU A 65 6.616 10.238 -3.891 1.00 1.14 C ATOM 992 O LEU A 65 7.363 11.006 -4.494 1.00 1.45 O ATOM 993 CB LEU A 65 4.257 9.282 -3.913 1.00 1.27 C ATOM 994 CG LEU A 65 3.026 8.952 -4.775 1.00 1.37 C ATOM 995 CD1 LEU A 65 2.748 10.007 -5.852 1.00 3.02 C ATOM 996 CD2 LEU A 65 3.090 7.556 -5.391 1.00 1.55 C ATOM 0 H LEU A 65 5.720 7.315 -4.288 1.00 0.79 H new ATOM 0 HA LEU A 65 5.391 9.846 -5.614 1.00 0.99 H new ATOM 0 HB2 LEU A 65 4.347 8.519 -3.140 1.00 1.27 H new ATOM 0 HB3 LEU A 65 4.075 10.230 -3.406 1.00 1.27 H new ATOM 0 HG LEU A 65 2.186 8.967 -4.081 1.00 1.37 H new ATOM 0 HD11 LEU A 65 1.868 9.717 -6.426 1.00 3.02 H new ATOM 0 HD12 LEU A 65 2.571 10.973 -5.378 1.00 3.02 H new ATOM 0 HD13 LEU A 65 3.607 10.082 -6.518 1.00 3.02 H new ATOM 0 HD21 LEU A 65 2.195 7.380 -5.988 1.00 1.55 H new ATOM 0 HD22 LEU A 65 3.971 7.479 -6.028 1.00 1.55 H new ATOM 0 HD23 LEU A 65 3.149 6.811 -4.598 1.00 1.55 H new ATOM 1008 N GLY A 66 6.639 10.137 -2.561 1.00 1.16 N ATOM 1009 CA GLY A 66 7.726 10.674 -1.758 1.00 1.25 C ATOM 1010 C GLY A 66 7.747 9.980 -0.403 1.00 0.97 C ATOM 1011 O GLY A 66 7.832 10.654 0.624 1.00 0.98 O ATOM 0 H GLY A 66 5.906 9.682 -2.017 1.00 1.16 H new ATOM 0 HA2 GLY A 66 8.677 10.526 -2.269 1.00 1.25 H new ATOM 0 HA3 GLY A 66 7.599 11.748 -1.626 1.00 1.25 H new ATOM 1015 N PHE A 67 7.562 8.657 -0.389 1.00 0.87 N ATOM 1016 CA PHE A 67 7.120 7.941 0.802 1.00 0.71 C ATOM 1017 C PHE A 67 8.058 6.787 1.135 1.00 0.74 C ATOM 1018 O PHE A 67 9.016 6.523 0.413 1.00 1.16 O ATOM 1019 CB PHE A 67 5.669 7.474 0.598 1.00 0.81 C ATOM 1020 CG PHE A 67 4.660 8.562 0.261 1.00 0.80 C ATOM 1021 CD1 PHE A 67 4.743 9.838 0.854 1.00 2.18 C ATOM 1022 CD2 PHE A 67 3.606 8.287 -0.630 1.00 2.02 C ATOM 1023 CE1 PHE A 67 3.840 10.851 0.490 1.00 2.17 C ATOM 1024 CE2 PHE A 67 2.682 9.289 -0.968 1.00 2.02 C ATOM 1025 CZ PHE A 67 2.811 10.576 -0.422 1.00 0.77 C ATOM 0 H PHE A 67 7.715 8.058 -1.201 1.00 0.87 H new ATOM 0 HA PHE A 67 7.149 8.611 1.661 1.00 0.71 H new ATOM 0 HB2 PHE A 67 5.656 6.733 -0.201 1.00 0.81 H new ATOM 0 HB3 PHE A 67 5.340 6.969 1.506 1.00 0.81 H new ATOM 0 HD1 PHE A 67 5.505 10.038 1.593 1.00 2.18 H new ATOM 0 HD2 PHE A 67 3.507 7.300 -1.056 1.00 2.02 H new ATOM 0 HE1 PHE A 67 3.938 11.840 0.912 1.00 2.17 H new ATOM 0 HE2 PHE A 67 1.872 9.070 -1.648 1.00 2.02 H new ATOM 0 HZ PHE A 67 2.118 11.354 -0.704 1.00 0.77 H new ATOM 1035 N GLU A 68 7.773 6.116 2.250 1.00 0.57 N ATOM 1036 CA GLU A 68 8.402 4.869 2.654 1.00 0.65 C ATOM 1037 C GLU A 68 7.256 3.875 2.781 1.00 0.83 C ATOM 1038 O GLU A 68 6.160 4.272 3.189 1.00 1.03 O ATOM 1039 CB GLU A 68 9.195 5.077 3.963 1.00 0.81 C ATOM 1040 CG GLU A 68 9.046 3.991 5.051 1.00 2.43 C ATOM 1041 CD GLU A 68 9.504 2.600 4.626 1.00 3.74 C ATOM 1042 OE1 GLU A 68 10.022 2.491 3.494 1.00 4.65 O ATOM 1043 OE2 GLU A 68 9.266 1.663 5.419 1.00 4.82 O ATOM 0 H GLU A 68 7.073 6.441 2.917 1.00 0.57 H new ATOM 0 HA GLU A 68 9.137 4.498 1.940 1.00 0.65 H new ATOM 0 HB2 GLU A 68 10.252 5.160 3.710 1.00 0.81 H new ATOM 0 HB3 GLU A 68 8.894 6.032 4.394 1.00 0.81 H new ATOM 0 HG2 GLU A 68 9.616 4.294 5.929 1.00 2.43 H new ATOM 0 HG3 GLU A 68 8.000 3.938 5.353 1.00 2.43 H new ATOM 1050 N ALA A 69 7.506 2.610 2.447 1.00 0.94 N ATOM 1051 CA ALA A 69 6.622 1.516 2.790 1.00 1.04 C ATOM 1052 C ALA A 69 7.405 0.220 2.988 1.00 1.40 C ATOM 1053 O ALA A 69 8.378 -0.026 2.282 1.00 1.93 O ATOM 1054 CB ALA A 69 5.563 1.339 1.702 1.00 1.54 C ATOM 0 H ALA A 69 8.335 2.322 1.927 1.00 0.94 H new ATOM 0 HA ALA A 69 6.127 1.756 3.731 1.00 1.04 H new ATOM 0 HB1 ALA A 69 4.902 0.514 1.968 1.00 1.54 H new ATOM 0 HB2 ALA A 69 4.980 2.255 1.609 1.00 1.54 H new ATOM 0 HB3 ALA A 69 6.051 1.121 0.752 1.00 1.54 H new ATOM 1060 N SER A 70 6.954 -0.633 3.913 1.00 1.29 N ATOM 1061 CA SER A 70 7.602 -1.912 4.182 1.00 1.68 C ATOM 1062 C SER A 70 6.591 -2.889 4.791 1.00 1.40 C ATOM 1063 O SER A 70 5.870 -2.519 5.712 1.00 1.14 O ATOM 1064 CB SER A 70 8.796 -1.676 5.114 1.00 2.03 C ATOM 1065 OG SER A 70 9.552 -2.865 5.242 1.00 3.07 O ATOM 0 H SER A 70 6.133 -0.454 4.492 1.00 1.29 H new ATOM 0 HA SER A 70 7.969 -2.355 3.256 1.00 1.68 H new ATOM 0 HB2 SER A 70 9.424 -0.877 4.719 1.00 2.03 H new ATOM 0 HB3 SER A 70 8.445 -1.351 6.093 1.00 2.03 H new ATOM 0 HG SER A 70 10.314 -2.706 5.837 1.00 3.07 H new ATOM 1071 N LEU A 71 6.506 -4.118 4.266 1.00 1.63 N ATOM 1072 CA LEU A 71 5.630 -5.172 4.779 1.00 1.52 C ATOM 1073 C LEU A 71 5.853 -5.413 6.278 1.00 1.50 C ATOM 1074 O LEU A 71 6.995 -5.400 6.734 1.00 1.79 O ATOM 1075 CB LEU A 71 5.791 -6.461 3.953 1.00 1.70 C ATOM 1076 CG LEU A 71 7.081 -7.276 4.173 1.00 1.49 C ATOM 1077 CD1 LEU A 71 6.997 -8.553 3.328 1.00 2.36 C ATOM 1078 CD2 LEU A 71 8.359 -6.517 3.793 1.00 2.25 C ATOM 0 H LEU A 71 7.056 -4.410 3.458 1.00 1.63 H new ATOM 0 HA LEU A 71 4.598 -4.839 4.670 1.00 1.52 H new ATOM 0 HB2 LEU A 71 4.941 -7.109 4.166 1.00 1.70 H new ATOM 0 HB3 LEU A 71 5.733 -6.196 2.897 1.00 1.70 H new ATOM 0 HG LEU A 71 7.147 -7.492 5.239 1.00 1.49 H new ATOM 0 HD11 LEU A 71 7.902 -9.144 3.470 1.00 2.36 H new ATOM 0 HD12 LEU A 71 6.130 -9.137 3.637 1.00 2.36 H new ATOM 0 HD13 LEU A 71 6.899 -8.287 2.275 1.00 2.36 H new ATOM 0 HD21 LEU A 71 9.227 -7.152 3.974 1.00 2.25 H new ATOM 0 HD22 LEU A 71 8.321 -6.246 2.738 1.00 2.25 H new ATOM 0 HD23 LEU A 71 8.438 -5.613 4.397 1.00 2.25 H new