USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 26 THR OG1 : rot -39:sc= -3.15! USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 23 SER OG : rot -153:sc= 0.108 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= -0.0451 USER MOD Single : A 1 ILE N :NH3+ 170:sc= -0.697 (180deg=-1.01) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= 0.0524 (180deg=0.00114) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00231) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -110:sc= 0.169 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.019) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 95:sc= 1.33 USER MOD Single : A 50 ASN : amide:sc=-0.00868 K(o=-0.0087,f=-0.54) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.435 -2.147 9.774 1.00 0.00 N ATOM 2 CA ILE A 1 9.268 -1.254 10.003 1.00 0.00 C ATOM 3 C ILE A 1 8.214 -1.436 8.913 1.00 0.00 C ATOM 4 O ILE A 1 8.464 -1.143 7.744 1.00 0.00 O ATOM 5 CB ILE A 1 9.681 0.235 10.049 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.946 0.477 9.221 1.00 0.00 C ATOM 7 CG2 ILE A 1 9.896 0.679 11.488 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.718 0.393 7.727 1.00 0.00 C ATOM 0 H1 ILE A 1 11.204 -1.887 10.424 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.156 -3.134 9.946 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.762 -2.046 8.792 1.00 0.00 H new ATOM 0 HA ILE A 1 8.851 -1.535 10.970 1.00 0.00 H new ATOM 0 HB ILE A 1 8.874 0.826 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 1 11.346 1.461 9.464 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.702 -0.254 9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 1 10.186 1.729 11.505 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.972 0.549 12.051 1.00 0.00 H new ATOM 0 HG23 ILE A 1 10.684 0.077 11.941 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.657 0.575 7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.347 -0.599 7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.986 1.143 7.428 1.00 0.00 H new ATOM 22 N PRO A 2 7.013 -1.923 9.277 1.00 0.00 N ATOM 23 CA PRO A 2 5.931 -2.136 8.329 1.00 0.00 C ATOM 24 C PRO A 2 5.048 -0.901 8.181 1.00 0.00 C ATOM 25 O PRO A 2 5.325 0.143 8.769 1.00 0.00 O ATOM 26 CB PRO A 2 5.155 -3.282 8.971 1.00 0.00 C ATOM 27 CG PRO A 2 5.336 -3.094 10.443 1.00 0.00 C ATOM 28 CD PRO A 2 6.610 -2.302 10.642 1.00 0.00 C ATOM 0 HA PRO A 2 6.286 -2.348 7.320 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.101 -3.248 8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.539 -4.249 8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.484 -2.565 10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.400 -4.058 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.441 -1.424 11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.378 -2.899 11.133 1.00 0.00 H new ATOM 36 N ALA A 3 3.985 -1.028 7.398 1.00 0.00 N ATOM 37 CA ALA A 3 3.065 0.075 7.179 1.00 0.00 C ATOM 38 C ALA A 3 1.714 -0.203 7.827 1.00 0.00 C ATOM 39 O ALA A 3 1.328 -1.357 8.010 1.00 0.00 O ATOM 40 CB ALA A 3 2.897 0.344 5.691 1.00 0.00 C ATOM 0 H ALA A 3 3.740 -1.886 6.904 1.00 0.00 H new ATOM 0 HA ALA A 3 3.488 0.964 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.204 1.173 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.863 0.599 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.503 -0.547 5.202 1.00 0.00 H new ATOM 46 N PHE A 4 1.002 0.862 8.179 1.00 0.00 N ATOM 47 CA PHE A 4 -0.295 0.741 8.813 1.00 0.00 C ATOM 48 C PHE A 4 -1.414 1.140 7.856 1.00 0.00 C ATOM 49 O PHE A 4 -1.498 2.293 7.433 1.00 0.00 O ATOM 50 CB PHE A 4 -0.350 1.614 10.060 1.00 0.00 C ATOM 51 CG PHE A 4 0.920 1.623 10.875 1.00 0.00 C ATOM 52 CD1 PHE A 4 1.779 0.535 10.870 1.00 0.00 C ATOM 53 CD2 PHE A 4 1.249 2.725 11.649 1.00 0.00 C ATOM 54 CE1 PHE A 4 2.940 0.547 11.620 1.00 0.00 C ATOM 55 CE2 PHE A 4 2.409 2.742 12.401 1.00 0.00 C ATOM 56 CZ PHE A 4 3.256 1.651 12.385 1.00 0.00 C ATOM 0 H PHE A 4 1.309 1.824 8.032 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.438 -0.303 9.093 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.583 2.636 9.762 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.170 1.272 10.692 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.538 -0.332 10.273 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.591 3.581 11.665 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.600 -0.308 11.607 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.653 3.607 13.000 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.164 1.662 12.970 1.00 0.00 H new ATOM 66 N VAL A 5 -2.275 0.186 7.524 1.00 0.00 N ATOM 67 CA VAL A 5 -3.392 0.448 6.624 1.00 0.00 C ATOM 68 C VAL A 5 -4.562 1.071 7.379 1.00 0.00 C ATOM 69 O VAL A 5 -4.838 0.707 8.522 1.00 0.00 O ATOM 70 CB VAL A 5 -3.868 -0.839 5.924 1.00 0.00 C ATOM 71 CG1 VAL A 5 -4.966 -0.530 4.917 1.00 0.00 C ATOM 72 CG2 VAL A 5 -2.700 -1.545 5.249 1.00 0.00 C ATOM 0 H VAL A 5 -2.222 -0.774 7.863 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.035 1.146 5.867 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.280 -1.507 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.287 -1.453 4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.813 -0.075 5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.585 0.160 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.056 -2.452 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.255 -0.883 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.951 -1.806 5.997 1.00 0.00 H new ATOM 82 N LYS A 6 -5.241 2.014 6.737 1.00 0.00 N ATOM 83 CA LYS A 6 -6.374 2.691 7.355 1.00 0.00 C ATOM 84 C LYS A 6 -7.690 1.985 7.016 1.00 0.00 C ATOM 85 O LYS A 6 -8.063 1.012 7.671 1.00 0.00 O ATOM 86 CB LYS A 6 -6.407 4.161 6.924 1.00 0.00 C ATOM 87 CG LYS A 6 -5.137 4.921 7.271 1.00 0.00 C ATOM 88 CD LYS A 6 -4.917 6.097 6.333 1.00 0.00 C ATOM 89 CE LYS A 6 -5.949 7.189 6.556 1.00 0.00 C ATOM 90 NZ LYS A 6 -5.933 8.201 5.463 1.00 0.00 N ATOM 0 H LYS A 6 -5.027 2.327 5.790 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.253 2.651 8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.570 4.213 5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.257 4.652 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.196 5.280 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.282 4.247 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.917 6.503 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.967 5.754 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.941 6.743 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.756 7.681 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.319 9.100 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.955 8.348 5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.513 7.863 4.669 1.00 0.00 H new ATOM 104 N PHE A 7 -8.393 2.475 5.999 1.00 0.00 N ATOM 105 CA PHE A 7 -9.658 1.885 5.592 1.00 0.00 C ATOM 106 C PHE A 7 -9.483 1.001 4.361 1.00 0.00 C ATOM 107 O PHE A 7 -8.624 1.257 3.516 1.00 0.00 O ATOM 108 CB PHE A 7 -10.689 2.980 5.309 1.00 0.00 C ATOM 109 CG PHE A 7 -11.760 3.080 6.358 1.00 0.00 C ATOM 110 CD1 PHE A 7 -12.385 1.942 6.839 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.141 4.314 6.861 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.371 2.032 7.804 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.125 4.410 7.826 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.741 3.267 8.298 1.00 0.00 C ATOM 0 H PHE A 7 -8.105 3.280 5.443 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.016 1.261 6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.177 3.939 5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -11.155 2.788 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -12.099 0.973 6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.663 5.211 6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.851 1.137 8.171 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.412 5.377 8.211 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.511 3.339 9.052 1.00 0.00 H new ATOM 124 N ALA A 8 -10.302 -0.040 4.268 1.00 0.00 N ATOM 125 CA ALA A 8 -10.244 -0.964 3.147 1.00 0.00 C ATOM 126 C ALA A 8 -11.091 -0.470 1.979 1.00 0.00 C ATOM 127 O ALA A 8 -12.182 0.065 2.175 1.00 0.00 O ATOM 128 CB ALA A 8 -10.707 -2.345 3.582 1.00 0.00 C ATOM 0 H ALA A 8 -11.017 -0.264 4.960 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.208 -1.023 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.659 -3.029 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.061 -2.711 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.733 -2.287 3.944 1.00 0.00 H new ATOM 134 N TYR A 9 -10.587 -0.658 0.765 1.00 0.00 N ATOM 135 CA TYR A 9 -11.304 -0.236 -0.432 1.00 0.00 C ATOM 136 C TYR A 9 -11.256 -1.325 -1.499 1.00 0.00 C ATOM 137 O TYR A 9 -10.228 -1.972 -1.695 1.00 0.00 O ATOM 138 CB TYR A 9 -10.712 1.063 -0.980 1.00 0.00 C ATOM 139 CG TYR A 9 -11.399 1.564 -2.230 1.00 0.00 C ATOM 140 CD1 TYR A 9 -12.781 1.706 -2.278 1.00 0.00 C ATOM 141 CD2 TYR A 9 -10.667 1.894 -3.364 1.00 0.00 C ATOM 142 CE1 TYR A 9 -13.412 2.164 -3.419 1.00 0.00 C ATOM 143 CE2 TYR A 9 -11.291 2.352 -4.509 1.00 0.00 C ATOM 144 CZ TYR A 9 -12.662 2.484 -4.532 1.00 0.00 C ATOM 145 OH TYR A 9 -13.287 2.939 -5.671 1.00 0.00 O ATOM 0 H TYR A 9 -9.686 -1.099 0.584 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.345 -0.060 -0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.772 1.832 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.655 0.908 -1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.371 1.454 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.592 1.791 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.487 2.271 -3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.707 2.605 -5.381 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.616 3.120 -6.362 1.00 0.00 H new ATOM 155 N VAL A 10 -12.378 -1.526 -2.182 1.00 0.00 N ATOM 156 CA VAL A 10 -12.465 -2.537 -3.222 1.00 0.00 C ATOM 157 C VAL A 10 -12.050 -1.973 -4.578 1.00 0.00 C ATOM 158 O VAL A 10 -12.728 -1.110 -5.135 1.00 0.00 O ATOM 159 CB VAL A 10 -13.890 -3.111 -3.331 1.00 0.00 C ATOM 160 CG1 VAL A 10 -14.195 -4.013 -2.145 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.914 -1.989 -3.433 1.00 0.00 C ATOM 0 H VAL A 10 -13.239 -1.000 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.780 -3.337 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.950 -3.710 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.206 -4.409 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.483 -4.838 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.115 -3.439 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.914 -2.415 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.854 -1.360 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.708 -1.387 -4.318 1.00 0.00 H new ATOM 171 N ALA A 11 -10.932 -2.464 -5.102 1.00 0.00 N ATOM 172 CA ALA A 11 -10.431 -2.006 -6.393 1.00 0.00 C ATOM 173 C ALA A 11 -9.261 -2.858 -6.867 1.00 0.00 C ATOM 174 O ALA A 11 -8.117 -2.633 -6.475 1.00 0.00 O ATOM 175 CB ALA A 11 -10.022 -0.543 -6.309 1.00 0.00 C ATOM 0 H ALA A 11 -10.357 -3.177 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.235 -2.108 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.650 -0.213 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.885 0.060 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.238 -0.427 -5.561 1.00 0.00 H new ATOM 181 N GLU A 12 -9.554 -3.836 -7.719 1.00 0.00 N ATOM 182 CA GLU A 12 -8.520 -4.716 -8.248 1.00 0.00 C ATOM 183 C GLU A 12 -8.565 -4.772 -9.772 1.00 0.00 C ATOM 184 O GLU A 12 -9.550 -5.214 -10.362 1.00 0.00 O ATOM 185 CB GLU A 12 -8.679 -6.124 -7.673 1.00 0.00 C ATOM 186 CG GLU A 12 -8.837 -6.152 -6.162 1.00 0.00 C ATOM 187 CD GLU A 12 -9.080 -7.549 -5.626 1.00 0.00 C ATOM 188 OE1 GLU A 12 -8.135 -8.364 -5.645 1.00 0.00 O ATOM 189 OE2 GLU A 12 -10.216 -7.826 -5.188 1.00 0.00 O ATOM 0 H GLU A 12 -10.495 -4.038 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.553 -4.311 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.548 -6.597 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.810 -6.720 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.940 -5.740 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.668 -5.507 -5.875 1.00 0.00 H new ATOM 196 N ARG A 13 -7.480 -4.331 -10.397 1.00 0.00 N ATOM 197 CA ARG A 13 -7.364 -4.333 -11.846 1.00 0.00 C ATOM 198 C ARG A 13 -5.889 -4.376 -12.236 1.00 0.00 C ATOM 199 O ARG A 13 -5.014 -4.285 -11.375 1.00 0.00 O ATOM 200 CB ARG A 13 -8.100 -3.113 -12.432 1.00 0.00 C ATOM 201 CG ARG A 13 -7.264 -2.164 -13.294 1.00 0.00 C ATOM 202 CD ARG A 13 -6.803 -0.965 -12.492 1.00 0.00 C ATOM 203 NE ARG A 13 -7.128 0.296 -13.152 1.00 0.00 N ATOM 204 CZ ARG A 13 -8.343 0.839 -13.156 1.00 0.00 C ATOM 205 NH1 ARG A 13 -9.348 0.235 -12.536 1.00 0.00 N ATOM 206 NH2 ARG A 13 -8.552 1.990 -13.782 1.00 0.00 N ATOM 0 H ARG A 13 -6.660 -3.964 -9.914 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.838 -5.221 -12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.935 -3.474 -13.032 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.524 -2.541 -11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.399 -2.695 -13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.852 -1.830 -14.149 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.268 -0.988 -11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.726 -1.025 -12.337 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.380 0.790 -13.639 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.191 -0.650 -12.053 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.277 0.655 -12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.782 2.458 -14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.483 2.407 -13.786 1.00 0.00 H new ATOM 220 N GLU A 14 -5.608 -4.517 -13.526 1.00 0.00 N ATOM 221 CA GLU A 14 -4.228 -4.571 -13.993 1.00 0.00 C ATOM 222 C GLU A 14 -3.446 -3.362 -13.488 1.00 0.00 C ATOM 223 O GLU A 14 -3.649 -2.240 -13.953 1.00 0.00 O ATOM 224 CB GLU A 14 -4.186 -4.622 -15.522 1.00 0.00 C ATOM 225 CG GLU A 14 -5.132 -3.639 -16.190 1.00 0.00 C ATOM 226 CD GLU A 14 -6.392 -4.306 -16.711 1.00 0.00 C ATOM 227 OE1 GLU A 14 -6.272 -5.247 -17.524 1.00 0.00 O ATOM 228 OE2 GLU A 14 -7.496 -3.885 -16.308 1.00 0.00 O ATOM 0 H GLU A 14 -6.310 -4.595 -14.262 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.766 -5.476 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.169 -4.418 -15.856 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.433 -5.632 -15.850 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.405 -2.861 -15.477 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.617 -3.148 -17.016 1.00 0.00 H new ATOM 235 N ASP A 15 -2.559 -3.607 -12.520 1.00 0.00 N ATOM 236 CA ASP A 15 -1.736 -2.553 -11.920 1.00 0.00 C ATOM 237 C ASP A 15 -2.480 -1.844 -10.786 1.00 0.00 C ATOM 238 O ASP A 15 -2.082 -0.762 -10.356 1.00 0.00 O ATOM 239 CB ASP A 15 -1.296 -1.532 -12.974 1.00 0.00 C ATOM 240 CG ASP A 15 0.162 -1.143 -12.830 1.00 0.00 C ATOM 241 OD1 ASP A 15 1.016 -2.053 -12.774 1.00 0.00 O ATOM 242 OD2 ASP A 15 0.450 0.071 -12.773 1.00 0.00 O ATOM 0 H ASP A 15 -2.391 -4.535 -12.132 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.849 -3.032 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.462 -1.946 -13.968 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.917 -0.640 -12.893 1.00 0.00 H new ATOM 247 N GLU A 16 -3.559 -2.458 -10.304 1.00 0.00 N ATOM 248 CA GLU A 16 -4.352 -1.888 -9.228 1.00 0.00 C ATOM 249 C GLU A 16 -4.529 -2.898 -8.096 1.00 0.00 C ATOM 250 O GLU A 16 -4.671 -4.097 -8.338 1.00 0.00 O ATOM 251 CB GLU A 16 -5.716 -1.454 -9.775 1.00 0.00 C ATOM 252 CG GLU A 16 -6.805 -1.342 -8.728 1.00 0.00 C ATOM 253 CD GLU A 16 -7.575 -0.037 -8.816 1.00 0.00 C ATOM 254 OE1 GLU A 16 -8.352 0.129 -9.779 1.00 0.00 O ATOM 255 OE2 GLU A 16 -7.400 0.817 -7.922 1.00 0.00 O ATOM 0 H GLU A 16 -3.902 -3.355 -10.647 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.832 -1.018 -8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.605 -0.489 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.032 -2.168 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.498 -2.176 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.360 -1.430 -7.737 1.00 0.00 H new ATOM 262 N LEU A 17 -4.533 -2.403 -6.864 1.00 0.00 N ATOM 263 CA LEU A 17 -4.709 -3.265 -5.698 1.00 0.00 C ATOM 264 C LEU A 17 -5.808 -2.750 -4.770 1.00 0.00 C ATOM 265 O LEU A 17 -6.070 -1.550 -4.692 1.00 0.00 O ATOM 266 CB LEU A 17 -3.396 -3.429 -4.914 1.00 0.00 C ATOM 267 CG LEU A 17 -2.636 -2.146 -4.520 1.00 0.00 C ATOM 268 CD1 LEU A 17 -3.557 -0.946 -4.364 1.00 0.00 C ATOM 269 CD2 LEU A 17 -1.872 -2.378 -3.226 1.00 0.00 C ATOM 0 H LEU A 17 -4.417 -1.413 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.012 -4.241 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.616 -3.983 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.724 -4.048 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.944 -1.919 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.970 -0.071 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.069 -0.755 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.293 -1.151 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.337 -1.469 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.572 -2.641 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.159 -3.191 -3.365 1.00 0.00 H new ATOM 281 N SER A 18 -6.443 -3.675 -4.061 1.00 0.00 N ATOM 282 CA SER A 18 -7.499 -3.333 -3.122 1.00 0.00 C ATOM 283 C SER A 18 -6.888 -3.038 -1.754 1.00 0.00 C ATOM 284 O SER A 18 -5.854 -3.603 -1.400 1.00 0.00 O ATOM 285 CB SER A 18 -8.527 -4.463 -3.029 1.00 0.00 C ATOM 286 OG SER A 18 -8.185 -5.390 -2.012 1.00 0.00 O ATOM 0 H SER A 18 -6.242 -4.673 -4.121 1.00 0.00 H new ATOM 0 HA SER A 18 -8.018 -2.442 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.513 -4.045 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.591 -4.979 -3.987 1.00 0.00 H new ATOM 0 HG SER A 18 -8.860 -6.099 -1.975 1.00 0.00 H new ATOM 292 N LEU A 19 -7.505 -2.138 -0.995 1.00 0.00 N ATOM 293 CA LEU A 19 -6.974 -1.774 0.315 1.00 0.00 C ATOM 294 C LEU A 19 -7.614 -2.595 1.426 1.00 0.00 C ATOM 295 O LEU A 19 -8.757 -3.038 1.318 1.00 0.00 O ATOM 296 CB LEU A 19 -7.177 -0.280 0.587 1.00 0.00 C ATOM 297 CG LEU A 19 -7.202 0.606 -0.657 1.00 0.00 C ATOM 298 CD1 LEU A 19 -7.643 2.018 -0.302 1.00 0.00 C ATOM 299 CD2 LEU A 19 -5.838 0.625 -1.326 1.00 0.00 C ATOM 0 H LEU A 19 -8.362 -1.652 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.906 -1.991 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.115 -0.149 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.379 0.066 1.245 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.924 0.189 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.654 2.633 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.643 1.989 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.948 2.445 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.875 1.261 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.096 1.015 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.562 -0.388 -1.619 1.00 0.00 H new ATOM 311 N VAL A 20 -6.844 -2.801 2.489 1.00 0.00 N ATOM 312 CA VAL A 20 -7.289 -3.581 3.641 1.00 0.00 C ATOM 313 C VAL A 20 -7.809 -2.686 4.755 1.00 0.00 C ATOM 314 O VAL A 20 -7.572 -1.477 4.759 1.00 0.00 O ATOM 315 CB VAL A 20 -6.151 -4.444 4.219 1.00 0.00 C ATOM 316 CG1 VAL A 20 -6.693 -5.774 4.721 1.00 0.00 C ATOM 317 CG2 VAL A 20 -5.049 -4.665 3.191 1.00 0.00 C ATOM 0 H VAL A 20 -5.897 -2.434 2.578 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.090 -4.224 3.276 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.716 -3.907 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.875 -6.371 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.432 -5.594 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.160 -6.311 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.261 -5.277 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.461 -5.173 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.635 -3.703 2.888 1.00 0.00 H new ATOM 327 N LYS A 21 -8.510 -3.290 5.710 1.00 0.00 N ATOM 328 CA LYS A 21 -9.050 -2.547 6.837 1.00 0.00 C ATOM 329 C LYS A 21 -8.222 -2.772 8.097 1.00 0.00 C ATOM 330 O LYS A 21 -8.362 -3.785 8.780 1.00 0.00 O ATOM 331 CB LYS A 21 -10.496 -2.936 7.110 1.00 0.00 C ATOM 332 CG LYS A 21 -10.720 -4.438 7.196 1.00 0.00 C ATOM 333 CD LYS A 21 -10.936 -5.052 5.822 1.00 0.00 C ATOM 334 CE LYS A 21 -10.262 -6.410 5.706 1.00 0.00 C ATOM 335 NZ LYS A 21 -10.836 -7.400 6.660 1.00 0.00 N ATOM 0 H LYS A 21 -8.715 -4.289 5.724 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.009 -1.491 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.816 -2.476 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.128 -2.528 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.860 -4.908 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.586 -4.642 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.004 -5.158 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.542 -4.383 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.370 -6.783 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.194 -6.302 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.361 -8.317 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.695 -7.065 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.854 -7.510 6.475 1.00 0.00 H new ATOM 349 N GLY A 22 -7.376 -1.806 8.399 1.00 0.00 N ATOM 350 CA GLY A 22 -6.541 -1.881 9.585 1.00 0.00 C ATOM 351 C GLY A 22 -5.403 -2.879 9.466 1.00 0.00 C ATOM 352 O GLY A 22 -4.793 -3.249 10.470 1.00 0.00 O ATOM 0 H GLY A 22 -7.248 -0.961 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.127 -0.894 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.162 -2.151 10.439 1.00 0.00 H new ATOM 356 N SER A 23 -5.110 -3.318 8.248 1.00 0.00 N ATOM 357 CA SER A 23 -4.034 -4.272 8.025 1.00 0.00 C ATOM 358 C SER A 23 -2.698 -3.554 7.860 1.00 0.00 C ATOM 359 O SER A 23 -2.642 -2.326 7.865 1.00 0.00 O ATOM 360 CB SER A 23 -4.328 -5.131 6.802 1.00 0.00 C ATOM 361 OG SER A 23 -4.011 -6.491 7.045 1.00 0.00 O ATOM 0 H SER A 23 -5.602 -3.029 7.402 1.00 0.00 H new ATOM 0 HA SER A 23 -3.969 -4.920 8.899 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.381 -5.042 6.536 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.752 -4.767 5.951 1.00 0.00 H new ATOM 0 HG SER A 23 -3.795 -6.933 6.198 1.00 0.00 H new ATOM 367 N ARG A 24 -1.623 -4.323 7.723 1.00 0.00 N ATOM 368 CA ARG A 24 -0.294 -3.744 7.565 1.00 0.00 C ATOM 369 C ARG A 24 0.357 -4.178 6.256 1.00 0.00 C ATOM 370 O ARG A 24 0.113 -5.278 5.761 1.00 0.00 O ATOM 371 CB ARG A 24 0.583 -4.121 8.748 1.00 0.00 C ATOM 372 CG ARG A 24 -0.037 -3.775 10.091 1.00 0.00 C ATOM 373 CD ARG A 24 0.638 -2.572 10.722 1.00 0.00 C ATOM 374 NE ARG A 24 0.540 -2.587 12.180 1.00 0.00 N ATOM 375 CZ ARG A 24 -0.544 -2.210 12.854 1.00 0.00 C ATOM 376 NH1 ARG A 24 -1.626 -1.791 12.208 1.00 0.00 N ATOM 377 NH2 ARG A 24 -0.546 -2.252 14.179 1.00 0.00 N ATOM 0 H ARG A 24 -1.645 -5.343 7.718 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.402 -2.660 7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.786 -5.191 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.542 -3.612 8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.100 -3.570 9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.043 -4.631 10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.688 -2.552 10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.183 -1.659 10.338 1.00 0.00 H new ATOM 0 HE ARG A 24 1.350 -2.905 12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.630 -1.757 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.453 -1.504 12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.282 -2.573 14.680 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.376 -1.963 14.697 1.00 0.00 H new ATOM 391 N VAL A 25 1.184 -3.297 5.700 1.00 0.00 N ATOM 392 CA VAL A 25 1.875 -3.567 4.444 1.00 0.00 C ATOM 393 C VAL A 25 3.386 -3.401 4.602 1.00 0.00 C ATOM 394 O VAL A 25 3.853 -2.823 5.582 1.00 0.00 O ATOM 395 CB VAL A 25 1.384 -2.627 3.326 1.00 0.00 C ATOM 396 CG1 VAL A 25 1.817 -3.139 1.961 1.00 0.00 C ATOM 397 CG2 VAL A 25 -0.128 -2.464 3.384 1.00 0.00 C ATOM 0 H VAL A 25 1.392 -2.384 6.104 1.00 0.00 H new ATOM 0 HA VAL A 25 1.651 -4.598 4.171 1.00 0.00 H new ATOM 0 HB VAL A 25 1.839 -1.649 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.459 -2.460 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.905 -3.194 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.398 -4.131 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.453 -1.796 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.604 -3.437 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.412 -2.042 4.348 1.00 0.00 H new ATOM 407 N THR A 26 4.146 -3.904 3.633 1.00 0.00 N ATOM 408 CA THR A 26 5.600 -3.800 3.670 1.00 0.00 C ATOM 409 C THR A 26 6.041 -2.430 3.169 1.00 0.00 C ATOM 410 O THR A 26 5.468 -1.896 2.219 1.00 0.00 O ATOM 411 CB THR A 26 6.257 -4.906 2.842 1.00 0.00 C ATOM 412 OG1 THR A 26 6.312 -4.538 1.480 1.00 0.00 O ATOM 413 CG2 THR A 26 5.547 -6.239 2.940 1.00 0.00 C ATOM 0 H THR A 26 3.778 -4.387 2.813 1.00 0.00 H new ATOM 0 HA THR A 26 5.922 -3.921 4.704 1.00 0.00 H new ATOM 0 HB THR A 26 7.257 -5.026 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.488 -4.067 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.068 -6.975 2.328 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.539 -6.571 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.522 -6.132 2.585 1.00 0.00 H new ATOM 421 N VAL A 27 7.040 -1.847 3.824 1.00 0.00 N ATOM 422 CA VAL A 27 7.516 -0.523 3.446 1.00 0.00 C ATOM 423 C VAL A 27 7.881 -0.486 1.965 1.00 0.00 C ATOM 424 O VAL A 27 8.931 -0.974 1.545 1.00 0.00 O ATOM 425 CB VAL A 27 8.740 -0.102 4.286 1.00 0.00 C ATOM 426 CG1 VAL A 27 9.890 -1.079 4.087 1.00 0.00 C ATOM 427 CG2 VAL A 27 9.167 1.318 3.943 1.00 0.00 C ATOM 0 H VAL A 27 7.532 -2.267 4.613 1.00 0.00 H new ATOM 0 HA VAL A 27 6.705 0.180 3.638 1.00 0.00 H new ATOM 0 HB VAL A 27 8.456 -0.123 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.743 -0.764 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.577 -2.077 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.174 -1.097 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.031 1.594 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.430 1.374 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.346 2.005 4.149 1.00 0.00 H new ATOM 437 N MET A 28 6.968 0.089 1.187 1.00 0.00 N ATOM 438 CA MET A 28 7.110 0.208 -0.258 1.00 0.00 C ATOM 439 C MET A 28 8.468 0.766 -0.669 1.00 0.00 C ATOM 440 O MET A 28 9.350 0.980 0.161 1.00 0.00 O ATOM 441 CB MET A 28 5.995 1.093 -0.814 1.00 0.00 C ATOM 442 CG MET A 28 4.613 0.702 -0.313 1.00 0.00 C ATOM 443 SD MET A 28 3.852 1.973 0.715 1.00 0.00 S ATOM 444 CE MET A 28 3.103 0.969 1.994 1.00 0.00 C ATOM 0 H MET A 28 6.101 0.489 1.547 1.00 0.00 H new ATOM 0 HA MET A 28 7.036 -0.796 -0.675 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.193 2.130 -0.542 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.008 1.041 -1.903 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.967 0.498 -1.167 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.688 -0.223 0.258 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.592 1.613 2.709 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.384 0.284 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.876 0.398 2.508 1.00 0.00 H new ATOM 454 N GLU A 29 8.620 0.986 -1.970 1.00 0.00 N ATOM 455 CA GLU A 29 9.858 1.504 -2.532 1.00 0.00 C ATOM 456 C GLU A 29 9.788 3.020 -2.687 1.00 0.00 C ATOM 457 O GLU A 29 8.793 3.554 -3.171 1.00 0.00 O ATOM 458 CB GLU A 29 10.117 0.846 -3.895 1.00 0.00 C ATOM 459 CG GLU A 29 9.428 1.536 -5.067 1.00 0.00 C ATOM 460 CD GLU A 29 9.761 0.892 -6.399 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.764 0.150 -6.465 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.020 1.130 -7.375 1.00 0.00 O ATOM 0 H GLU A 29 7.891 0.811 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 29 10.678 1.268 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.191 0.830 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.785 -0.191 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.349 1.511 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.723 2.585 -5.091 1.00 0.00 H new ATOM 469 N LYS A 30 10.847 3.708 -2.280 1.00 0.00 N ATOM 470 CA LYS A 30 10.886 5.160 -2.384 1.00 0.00 C ATOM 471 C LYS A 30 10.896 5.590 -3.846 1.00 0.00 C ATOM 472 O LYS A 30 11.943 5.615 -4.491 1.00 0.00 O ATOM 473 CB LYS A 30 12.117 5.716 -1.665 1.00 0.00 C ATOM 474 CG LYS A 30 11.840 6.996 -0.894 1.00 0.00 C ATOM 475 CD LYS A 30 12.790 7.155 0.281 1.00 0.00 C ATOM 476 CE LYS A 30 12.434 8.370 1.125 1.00 0.00 C ATOM 477 NZ LYS A 30 13.317 9.531 0.826 1.00 0.00 N ATOM 0 H LYS A 30 11.685 3.287 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 30 9.992 5.561 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.498 4.962 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.902 5.905 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.938 7.852 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.811 6.989 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.758 6.258 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.812 7.252 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.396 8.647 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.515 8.115 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.042 10.338 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.305 9.275 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.221 9.791 -0.176 1.00 0.00 H new ATOM 491 N CYS A 31 9.718 5.925 -4.361 1.00 0.00 N ATOM 492 CA CYS A 31 9.582 6.351 -5.746 1.00 0.00 C ATOM 493 C CYS A 31 9.551 7.874 -5.842 1.00 0.00 C ATOM 494 O CYS A 31 9.084 8.553 -4.928 1.00 0.00 O ATOM 495 CB CYS A 31 8.310 5.760 -6.359 1.00 0.00 C ATOM 496 SG CYS A 31 8.615 4.438 -7.556 1.00 0.00 S ATOM 0 H CYS A 31 8.843 5.909 -3.837 1.00 0.00 H new ATOM 0 HA CYS A 31 10.446 5.987 -6.303 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.679 5.373 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.751 6.557 -6.848 1.00 0.00 H new ATOM 0 HG CYS A 31 8.331 4.861 -8.752 1.00 0.00 H new ATOM 502 N SER A 32 10.051 8.405 -6.953 1.00 0.00 N ATOM 503 CA SER A 32 10.080 9.848 -7.162 1.00 0.00 C ATOM 504 C SER A 32 8.845 10.318 -7.921 1.00 0.00 C ATOM 505 O SER A 32 8.397 11.452 -7.755 1.00 0.00 O ATOM 506 CB SER A 32 11.345 10.251 -7.921 1.00 0.00 C ATOM 507 OG SER A 32 11.685 11.603 -7.665 1.00 0.00 O ATOM 0 H SER A 32 10.441 7.859 -7.721 1.00 0.00 H new ATOM 0 HA SER A 32 10.084 10.328 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.171 9.603 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.192 10.107 -8.991 1.00 0.00 H new ATOM 0 HG SER A 32 12.498 11.835 -8.161 1.00 0.00 H new ATOM 513 N ASP A 33 8.298 9.442 -8.755 1.00 0.00 N ATOM 514 CA ASP A 33 7.115 9.777 -9.537 1.00 0.00 C ATOM 515 C ASP A 33 5.845 9.295 -8.842 1.00 0.00 C ATOM 516 O ASP A 33 5.903 8.557 -7.859 1.00 0.00 O ATOM 517 CB ASP A 33 7.212 9.165 -10.936 1.00 0.00 C ATOM 518 CG ASP A 33 7.487 10.206 -12.003 1.00 0.00 C ATOM 519 OD1 ASP A 33 8.193 11.192 -11.702 1.00 0.00 O ATOM 520 OD2 ASP A 33 6.996 10.037 -13.139 1.00 0.00 O ATOM 0 H ASP A 33 8.653 8.498 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 33 7.066 10.862 -9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.005 8.417 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.282 8.647 -11.169 1.00 0.00 H new ATOM 525 N GLY A 34 4.701 9.722 -9.366 1.00 0.00 N ATOM 526 CA GLY A 34 3.422 9.334 -8.794 1.00 0.00 C ATOM 527 C GLY A 34 3.280 7.831 -8.623 1.00 0.00 C ATOM 528 O GLY A 34 2.479 7.368 -7.812 1.00 0.00 O ATOM 0 H GLY A 34 4.635 10.333 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.302 9.817 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.618 9.699 -9.434 1.00 0.00 H new ATOM 532 N TRP A 35 4.058 7.070 -9.387 1.00 0.00 N ATOM 533 CA TRP A 35 4.009 5.613 -9.309 1.00 0.00 C ATOM 534 C TRP A 35 4.806 5.113 -8.108 1.00 0.00 C ATOM 535 O TRP A 35 5.931 5.552 -7.872 1.00 0.00 O ATOM 536 CB TRP A 35 4.550 4.993 -10.602 1.00 0.00 C ATOM 537 CG TRP A 35 6.044 5.048 -10.726 1.00 0.00 C ATOM 538 CD1 TRP A 35 6.862 6.081 -10.365 1.00 0.00 C ATOM 539 CD2 TRP A 35 6.899 4.026 -11.250 1.00 0.00 C ATOM 540 NE1 TRP A 35 8.171 5.763 -10.633 1.00 0.00 N ATOM 541 CE2 TRP A 35 8.221 4.506 -11.176 1.00 0.00 C ATOM 542 CE3 TRP A 35 6.674 2.748 -11.774 1.00 0.00 C ATOM 543 CZ2 TRP A 35 9.311 3.755 -11.606 1.00 0.00 C ATOM 544 CZ3 TRP A 35 7.758 2.004 -12.200 1.00 0.00 C ATOM 545 CH2 TRP A 35 9.062 2.509 -12.114 1.00 0.00 C ATOM 0 H TRP A 35 4.727 7.436 -10.064 1.00 0.00 H new ATOM 0 HA TRP A 35 2.970 5.309 -9.183 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.229 3.953 -10.656 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.106 5.508 -11.454 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.528 7.012 -9.932 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.975 6.365 -10.456 1.00 0.00 H new ATOM 0 HE3 TRP A 35 5.672 2.351 -11.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.317 4.142 -11.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.597 1.016 -12.606 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.888 1.902 -12.456 1.00 0.00 H new ATOM 556 N TRP A 36 4.214 4.202 -7.344 1.00 0.00 N ATOM 557 CA TRP A 36 4.871 3.660 -6.168 1.00 0.00 C ATOM 558 C TRP A 36 4.739 2.139 -6.100 1.00 0.00 C ATOM 559 O TRP A 36 3.633 1.595 -6.129 1.00 0.00 O ATOM 560 CB TRP A 36 4.277 4.292 -4.910 1.00 0.00 C ATOM 561 CG TRP A 36 5.288 4.977 -4.048 1.00 0.00 C ATOM 562 CD1 TRP A 36 6.266 4.381 -3.313 1.00 0.00 C ATOM 563 CD2 TRP A 36 5.415 6.386 -3.826 1.00 0.00 C ATOM 564 NE1 TRP A 36 7.000 5.332 -2.645 1.00 0.00 N ATOM 565 CE2 TRP A 36 6.498 6.571 -2.943 1.00 0.00 C ATOM 566 CE3 TRP A 36 4.723 7.509 -4.286 1.00 0.00 C ATOM 567 CZ2 TRP A 36 6.901 7.832 -2.514 1.00 0.00 C ATOM 568 CZ3 TRP A 36 5.125 8.761 -3.859 1.00 0.00 C ATOM 569 CH2 TRP A 36 6.205 8.914 -2.981 1.00 0.00 C ATOM 0 H TRP A 36 3.282 3.826 -7.520 1.00 0.00 H new ATOM 0 HA TRP A 36 5.933 3.898 -6.234 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.513 5.013 -5.202 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.779 3.518 -4.326 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.440 3.316 -3.262 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.790 5.145 -2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 36 3.889 7.401 -4.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 7.733 7.953 -1.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.597 9.636 -4.209 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.495 9.906 -2.666 1.00 0.00 H new ATOM 580 N ARG A 37 5.879 1.466 -5.990 1.00 0.00 N ATOM 581 CA ARG A 37 5.912 0.012 -5.902 1.00 0.00 C ATOM 582 C ARG A 37 6.245 -0.436 -4.487 1.00 0.00 C ATOM 583 O ARG A 37 6.940 0.264 -3.754 1.00 0.00 O ATOM 584 CB ARG A 37 6.922 -0.578 -6.883 1.00 0.00 C ATOM 585 CG ARG A 37 6.506 -1.937 -7.422 1.00 0.00 C ATOM 586 CD ARG A 37 6.005 -1.843 -8.856 1.00 0.00 C ATOM 587 NE ARG A 37 6.209 -3.089 -9.591 1.00 0.00 N ATOM 588 CZ ARG A 37 5.551 -3.409 -10.703 1.00 0.00 C ATOM 589 NH1 ARG A 37 4.646 -2.582 -11.210 1.00 0.00 N ATOM 590 NH2 ARG A 37 5.800 -4.562 -11.313 1.00 0.00 N ATOM 0 H ARG A 37 6.798 1.908 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 37 4.920 -0.355 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.055 0.112 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.889 -0.670 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.353 -2.622 -7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.723 -2.356 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.944 -1.593 -8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.522 -1.031 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 37 6.895 -3.752 -9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.450 -1.694 -10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.146 -2.834 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.495 -5.202 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.296 -4.807 -12.165 1.00 0.00 H new ATOM 604 N GLY A 38 5.740 -1.600 -4.109 1.00 0.00 N ATOM 605 CA GLY A 38 5.991 -2.114 -2.776 1.00 0.00 C ATOM 606 C GLY A 38 5.540 -3.551 -2.602 1.00 0.00 C ATOM 607 O GLY A 38 5.195 -4.229 -3.573 1.00 0.00 O ATOM 0 H GLY A 38 5.162 -2.198 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.057 -2.045 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.477 -1.487 -2.048 1.00 0.00 H new ATOM 611 N SER A 39 5.549 -4.016 -1.355 1.00 0.00 N ATOM 612 CA SER A 39 5.148 -5.382 -1.045 1.00 0.00 C ATOM 613 C SER A 39 4.118 -5.423 0.078 1.00 0.00 C ATOM 614 O SER A 39 4.018 -4.501 0.889 1.00 0.00 O ATOM 615 CB SER A 39 6.371 -6.226 -0.669 1.00 0.00 C ATOM 616 OG SER A 39 7.571 -5.607 -1.099 1.00 0.00 O ATOM 0 H SER A 39 5.830 -3.465 -0.544 1.00 0.00 H new ATOM 0 HA SER A 39 4.686 -5.800 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.399 -6.370 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.287 -7.215 -1.120 1.00 0.00 H new ATOM 0 HG SER A 39 8.336 -6.165 -0.845 1.00 0.00 H new ATOM 622 N TYR A 40 3.355 -6.504 0.110 1.00 0.00 N ATOM 623 CA TYR A 40 2.327 -6.701 1.121 1.00 0.00 C ATOM 624 C TYR A 40 2.327 -8.151 1.585 1.00 0.00 C ATOM 625 O TYR A 40 2.595 -9.057 0.797 1.00 0.00 O ATOM 626 CB TYR A 40 0.951 -6.324 0.565 1.00 0.00 C ATOM 627 CG TYR A 40 -0.194 -6.632 1.506 1.00 0.00 C ATOM 628 CD1 TYR A 40 -0.553 -5.740 2.509 1.00 0.00 C ATOM 629 CD2 TYR A 40 -0.913 -7.815 1.392 1.00 0.00 C ATOM 630 CE1 TYR A 40 -1.596 -6.020 3.372 1.00 0.00 C ATOM 631 CE2 TYR A 40 -1.957 -8.100 2.250 1.00 0.00 C ATOM 632 CZ TYR A 40 -2.295 -7.199 3.237 1.00 0.00 C ATOM 633 OH TYR A 40 -3.335 -7.481 4.095 1.00 0.00 O ATOM 0 H TYR A 40 3.430 -7.268 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 40 2.544 -6.056 1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.942 -5.259 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.791 -6.855 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.009 -4.813 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.651 -8.523 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.861 -5.318 4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.506 -9.024 2.148 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.723 -8.351 3.864 1.00 0.00 H new ATOM 643 N ASN A 41 2.035 -8.372 2.862 1.00 0.00 N ATOM 644 CA ASN A 41 2.017 -9.724 3.405 1.00 0.00 C ATOM 645 C ASN A 41 1.000 -10.585 2.667 1.00 0.00 C ATOM 646 O ASN A 41 -0.153 -10.705 3.084 1.00 0.00 O ATOM 647 CB ASN A 41 1.693 -9.695 4.893 1.00 0.00 C ATOM 648 CG ASN A 41 2.649 -8.821 5.681 1.00 0.00 C ATOM 649 OD1 ASN A 41 3.847 -9.097 5.750 1.00 0.00 O ATOM 650 ND2 ASN A 41 2.123 -7.762 6.283 1.00 0.00 N ATOM 0 H ASN A 41 1.809 -7.639 3.535 1.00 0.00 H new ATOM 0 HA ASN A 41 3.007 -10.159 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.675 -9.331 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.725 -10.710 5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.717 -7.139 6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.125 -7.571 6.199 1.00 0.00 H new ATOM 657 N GLY A 42 1.438 -11.177 1.560 1.00 0.00 N ATOM 658 CA GLY A 42 0.568 -12.015 0.767 1.00 0.00 C ATOM 659 C GLY A 42 0.903 -11.961 -0.709 1.00 0.00 C ATOM 660 O GLY A 42 0.735 -12.947 -1.429 1.00 0.00 O ATOM 0 H GLY A 42 2.388 -11.088 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.643 -13.045 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.466 -11.703 0.914 1.00 0.00 H new ATOM 664 N GLN A 43 1.378 -10.807 -1.160 1.00 0.00 N ATOM 665 CA GLN A 43 1.738 -10.623 -2.562 1.00 0.00 C ATOM 666 C GLN A 43 2.484 -9.306 -2.779 1.00 0.00 C ATOM 667 O GLN A 43 2.569 -8.470 -1.880 1.00 0.00 O ATOM 668 CB GLN A 43 0.484 -10.661 -3.436 1.00 0.00 C ATOM 669 CG GLN A 43 -0.644 -9.781 -2.919 1.00 0.00 C ATOM 670 CD GLN A 43 -2.012 -10.367 -3.196 1.00 0.00 C ATOM 671 OE1 GLN A 43 -2.444 -10.456 -4.345 1.00 0.00 O ATOM 672 NE2 GLN A 43 -2.704 -10.770 -2.137 1.00 0.00 N ATOM 0 H GLN A 43 1.523 -9.984 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 43 2.403 -11.439 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.745 -10.346 -4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.129 -11.689 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.525 -9.637 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.574 -8.797 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.306 -10.677 -1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.633 -11.173 -2.258 1.00 0.00 H new ATOM 681 N ILE A 44 3.020 -9.134 -3.986 1.00 0.00 N ATOM 682 CA ILE A 44 3.761 -7.928 -4.342 1.00 0.00 C ATOM 683 C ILE A 44 3.084 -7.202 -5.505 1.00 0.00 C ATOM 684 O ILE A 44 2.324 -7.805 -6.262 1.00 0.00 O ATOM 685 CB ILE A 44 5.226 -8.276 -4.710 1.00 0.00 C ATOM 686 CG1 ILE A 44 6.092 -8.263 -3.455 1.00 0.00 C ATOM 687 CG2 ILE A 44 5.794 -7.316 -5.750 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.844 -9.437 -2.533 1.00 0.00 C ATOM 0 H ILE A 44 2.953 -9.820 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 44 3.767 -7.266 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 44 5.231 -9.274 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.142 -8.258 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.910 -7.338 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.822 -7.595 -5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.193 -7.366 -6.658 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.773 -6.300 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.496 -9.360 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.803 -9.432 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.054 -10.366 -3.062 1.00 0.00 H new ATOM 700 N GLY A 45 3.363 -5.906 -5.647 1.00 0.00 N ATOM 701 CA GLY A 45 2.767 -5.142 -6.729 1.00 0.00 C ATOM 702 C GLY A 45 2.785 -3.645 -6.484 1.00 0.00 C ATOM 703 O GLY A 45 3.837 -3.061 -6.229 1.00 0.00 O ATOM 0 H GLY A 45 3.986 -5.377 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.300 -5.359 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.737 -5.468 -6.871 1.00 0.00 H new ATOM 707 N TRP A 46 1.613 -3.024 -6.565 1.00 0.00 N ATOM 708 CA TRP A 46 1.484 -1.585 -6.361 1.00 0.00 C ATOM 709 C TRP A 46 1.020 -1.279 -4.945 1.00 0.00 C ATOM 710 O TRP A 46 0.284 -2.053 -4.353 1.00 0.00 O ATOM 711 CB TRP A 46 0.502 -0.979 -7.366 1.00 0.00 C ATOM 712 CG TRP A 46 0.944 0.357 -7.875 1.00 0.00 C ATOM 713 CD1 TRP A 46 2.212 0.716 -8.233 1.00 0.00 C ATOM 714 CD2 TRP A 46 0.126 1.515 -8.073 1.00 0.00 C ATOM 715 NE1 TRP A 46 2.233 2.028 -8.637 1.00 0.00 N ATOM 716 CE2 TRP A 46 0.964 2.540 -8.552 1.00 0.00 C ATOM 717 CE3 TRP A 46 -1.234 1.784 -7.895 1.00 0.00 C ATOM 718 CZ2 TRP A 46 0.486 3.813 -8.852 1.00 0.00 C ATOM 719 CZ3 TRP A 46 -1.707 3.048 -8.194 1.00 0.00 C ATOM 720 CH2 TRP A 46 -0.850 4.048 -8.668 1.00 0.00 C ATOM 0 H TRP A 46 0.734 -3.498 -6.772 1.00 0.00 H new ATOM 0 HA TRP A 46 2.467 -1.140 -6.515 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.382 -1.662 -8.207 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.476 -0.878 -6.896 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.072 0.064 -8.203 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.059 2.539 -8.950 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.903 1.018 -7.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.145 4.587 -9.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.756 3.268 -8.060 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.251 5.025 -8.893 1.00 0.00 H new ATOM 731 N PHE A 47 1.481 -0.157 -4.403 1.00 0.00 N ATOM 732 CA PHE A 47 1.127 0.245 -3.044 1.00 0.00 C ATOM 733 C PHE A 47 -0.319 0.753 -2.958 1.00 0.00 C ATOM 734 O PHE A 47 -0.821 1.392 -3.882 1.00 0.00 O ATOM 735 CB PHE A 47 2.101 1.323 -2.546 1.00 0.00 C ATOM 736 CG PHE A 47 1.853 2.704 -3.102 1.00 0.00 C ATOM 737 CD1 PHE A 47 1.291 2.884 -4.358 1.00 0.00 C ATOM 738 CD2 PHE A 47 2.193 3.826 -2.361 1.00 0.00 C ATOM 739 CE1 PHE A 47 1.071 4.152 -4.861 1.00 0.00 C ATOM 740 CE2 PHE A 47 1.975 5.097 -2.861 1.00 0.00 C ATOM 741 CZ PHE A 47 1.413 5.260 -4.111 1.00 0.00 C ATOM 0 H PHE A 47 2.103 0.493 -4.885 1.00 0.00 H new ATOM 0 HA PHE A 47 1.203 -0.635 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.045 1.369 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.117 1.021 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.022 2.022 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.633 3.706 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.632 4.276 -5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.245 5.962 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.241 6.252 -4.502 1.00 0.00 H new ATOM 751 N PRO A 48 -1.012 0.467 -1.837 1.00 0.00 N ATOM 752 CA PRO A 48 -2.391 0.886 -1.621 1.00 0.00 C ATOM 753 C PRO A 48 -2.479 2.198 -0.846 1.00 0.00 C ATOM 754 O PRO A 48 -3.397 2.397 -0.053 1.00 0.00 O ATOM 755 CB PRO A 48 -2.942 -0.262 -0.782 1.00 0.00 C ATOM 756 CG PRO A 48 -1.775 -0.749 0.023 1.00 0.00 C ATOM 757 CD PRO A 48 -0.513 -0.299 -0.684 1.00 0.00 C ATOM 0 HA PRO A 48 -2.930 1.071 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.753 0.075 -0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.344 -1.054 -1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.812 -0.345 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.798 -1.835 0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.112 0.315 -0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.093 -1.148 -1.000 1.00 0.00 H new ATOM 765 N SER A 49 -1.506 3.076 -1.083 1.00 0.00 N ATOM 766 CA SER A 49 -1.420 4.381 -0.415 1.00 0.00 C ATOM 767 C SER A 49 -2.783 5.012 -0.125 1.00 0.00 C ATOM 768 O SER A 49 -2.917 5.778 0.838 1.00 0.00 O ATOM 769 CB SER A 49 -0.585 5.339 -1.259 1.00 0.00 C ATOM 770 OG SER A 49 0.616 5.689 -0.593 1.00 0.00 O ATOM 0 H SER A 49 -0.750 2.905 -1.746 1.00 0.00 H new ATOM 0 HA SER A 49 -0.946 4.202 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.352 4.876 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.162 6.239 -1.472 1.00 0.00 H new ATOM 0 HG SER A 49 1.341 5.104 -0.897 1.00 0.00 H new ATOM 776 N ASN A 50 -3.791 4.696 -0.947 1.00 0.00 N ATOM 777 CA ASN A 50 -5.128 5.253 -0.778 1.00 0.00 C ATOM 778 C ASN A 50 -5.531 5.289 0.690 1.00 0.00 C ATOM 779 O ASN A 50 -6.274 6.172 1.118 1.00 0.00 O ATOM 780 CB ASN A 50 -6.124 4.427 -1.577 1.00 0.00 C ATOM 781 CG ASN A 50 -6.420 5.031 -2.930 1.00 0.00 C ATOM 782 OD1 ASN A 50 -5.588 5.731 -3.507 1.00 0.00 O ATOM 783 ND2 ASN A 50 -7.610 4.763 -3.443 1.00 0.00 N ATOM 0 H ASN A 50 -3.700 4.056 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.125 6.279 -1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.731 3.419 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.052 4.336 -1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.870 5.142 -4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.267 4.177 -2.928 1.00 0.00 H new ATOM 790 N TYR A 51 -4.997 4.360 1.469 1.00 0.00 N ATOM 791 CA TYR A 51 -5.264 4.329 2.894 1.00 0.00 C ATOM 792 C TYR A 51 -4.199 3.510 3.611 1.00 0.00 C ATOM 793 O TYR A 51 -4.486 2.460 4.184 1.00 0.00 O ATOM 794 CB TYR A 51 -6.649 3.736 3.156 1.00 0.00 C ATOM 795 CG TYR A 51 -7.772 4.744 3.053 1.00 0.00 C ATOM 796 CD1 TYR A 51 -7.925 5.741 4.008 1.00 0.00 C ATOM 797 CD2 TYR A 51 -8.678 4.698 2.001 1.00 0.00 C ATOM 798 CE1 TYR A 51 -8.950 6.664 3.917 1.00 0.00 C ATOM 799 CE2 TYR A 51 -9.706 5.617 1.905 1.00 0.00 C ATOM 800 CZ TYR A 51 -9.837 6.598 2.864 1.00 0.00 C ATOM 801 OH TYR A 51 -10.859 7.515 2.771 1.00 0.00 O ATOM 0 H TYR A 51 -4.378 3.620 1.137 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.239 5.349 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.830 2.930 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.662 3.292 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.232 5.796 4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.578 3.932 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.055 7.433 4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.404 5.566 1.082 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.393 7.330 1.971 1.00 0.00 H new ATOM 811 N VAL A 52 -2.960 4.001 3.574 1.00 0.00 N ATOM 812 CA VAL A 52 -1.854 3.310 4.225 1.00 0.00 C ATOM 813 C VAL A 52 -0.914 4.270 4.949 1.00 0.00 C ATOM 814 O VAL A 52 -0.910 5.474 4.691 1.00 0.00 O ATOM 815 CB VAL A 52 -1.045 2.465 3.216 1.00 0.00 C ATOM 816 CG1 VAL A 52 -1.964 1.897 2.154 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.071 3.281 2.574 1.00 0.00 C ATOM 0 H VAL A 52 -2.701 4.868 3.103 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.305 2.651 4.966 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.582 1.643 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.382 1.303 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.717 1.265 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.455 2.713 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.620 2.656 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.358 4.132 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.751 3.639 3.347 1.00 0.00 H new ATOM 827 N LEU A 53 -0.097 3.712 5.838 1.00 0.00 N ATOM 828 CA LEU A 53 0.877 4.488 6.584 1.00 0.00 C ATOM 829 C LEU A 53 2.254 3.847 6.463 1.00 0.00 C ATOM 830 O LEU A 53 2.457 2.715 6.893 1.00 0.00 O ATOM 831 CB LEU A 53 0.467 4.567 8.049 1.00 0.00 C ATOM 832 CG LEU A 53 1.142 5.661 8.862 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.177 6.964 8.081 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.428 5.842 10.192 1.00 0.00 C ATOM 0 H LEU A 53 -0.094 2.716 6.057 1.00 0.00 H new ATOM 0 HA LEU A 53 0.918 5.497 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.612 4.715 8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.678 3.607 8.519 1.00 0.00 H new ATOM 0 HG LEU A 53 2.171 5.364 9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.664 7.734 8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.733 6.818 7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.159 7.276 7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.920 6.628 10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.611 6.120 10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.462 4.908 10.753 1.00 0.00 H new ATOM 846 N GLU A 54 3.195 4.571 5.870 1.00 0.00 N ATOM 847 CA GLU A 54 4.549 4.060 5.684 1.00 0.00 C ATOM 848 C GLU A 54 5.539 4.716 6.643 1.00 0.00 C ATOM 849 O GLU A 54 5.538 5.933 6.817 1.00 0.00 O ATOM 850 CB GLU A 54 4.999 4.282 4.240 1.00 0.00 C ATOM 851 CG GLU A 54 6.388 3.743 3.945 1.00 0.00 C ATOM 852 CD GLU A 54 7.353 4.824 3.499 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.169 5.989 3.909 1.00 0.00 O ATOM 854 OE2 GLU A 54 8.292 4.505 2.740 1.00 0.00 O ATOM 0 H GLU A 54 3.047 5.514 5.509 1.00 0.00 H new ATOM 0 HA GLU A 54 4.532 2.992 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.284 3.807 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.979 5.350 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.781 3.256 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.320 2.980 3.170 1.00 0.00 H new ATOM 861 N GLU A 55 6.392 3.896 7.251 1.00 0.00 N ATOM 862 CA GLU A 55 7.399 4.388 8.176 1.00 0.00 C ATOM 863 C GLU A 55 8.770 4.412 7.510 1.00 0.00 C ATOM 864 O GLU A 55 9.308 3.370 7.137 1.00 0.00 O ATOM 865 CB GLU A 55 7.441 3.514 9.430 1.00 0.00 C ATOM 866 CG GLU A 55 6.072 3.096 9.922 1.00 0.00 C ATOM 867 CD GLU A 55 5.878 3.354 11.404 1.00 0.00 C ATOM 868 OE1 GLU A 55 6.788 3.014 12.189 1.00 0.00 O ATOM 869 OE2 GLU A 55 4.817 3.897 11.778 1.00 0.00 O ATOM 0 H GLU A 55 6.403 2.885 7.117 1.00 0.00 H new ATOM 0 HA GLU A 55 7.133 5.405 8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.031 2.622 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.953 4.057 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.309 3.635 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.926 2.035 9.720 1.00 0.00 H new ATOM 876 N VAL A 56 9.329 5.608 7.357 1.00 0.00 N ATOM 877 CA VAL A 56 10.632 5.764 6.731 1.00 0.00 C ATOM 878 C VAL A 56 11.756 5.614 7.749 1.00 0.00 C ATOM 879 O VAL A 56 12.243 6.601 8.304 1.00 0.00 O ATOM 880 CB VAL A 56 10.758 7.130 6.031 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.053 7.206 5.234 1.00 0.00 C ATOM 882 CG2 VAL A 56 9.555 7.382 5.133 1.00 0.00 C ATOM 0 H VAL A 56 8.898 6.482 7.659 1.00 0.00 H new ATOM 0 HA VAL A 56 10.721 4.975 5.985 1.00 0.00 H new ATOM 0 HB VAL A 56 10.783 7.908 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.124 8.178 4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.902 7.074 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.062 6.420 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.661 8.352 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.496 6.600 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.645 7.375 5.733 1.00 0.00 H new ATOM 892 N ASP A 57 12.164 4.373 7.990 1.00 0.00 N ATOM 893 CA ASP A 57 13.232 4.083 8.942 1.00 0.00 C ATOM 894 C ASP A 57 14.477 4.913 8.639 1.00 0.00 C ATOM 895 O ASP A 57 14.936 5.640 9.544 1.00 0.00 O ATOM 896 CB ASP A 57 13.577 2.592 8.912 1.00 0.00 C ATOM 897 CG ASP A 57 13.604 1.975 10.296 1.00 0.00 C ATOM 898 OD1 ASP A 57 12.883 2.478 11.184 1.00 0.00 O ATOM 899 OD2 ASP A 57 14.344 0.989 10.493 1.00 0.00 O ATOM 900 OXT ASP A 57 14.981 4.828 7.499 1.00 0.00 O ATOM 0 H ASP A 57 11.770 3.548 7.538 1.00 0.00 H new ATOM 0 HA ASP A 57 12.878 4.348 9.938 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.847 2.066 8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.549 2.457 8.438 1.00 0.00 H new TER 905 ASP A 57