USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 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 37 TYR OH : rot 68:sc= 1.18 USER MOD Set 1.2: A 46 LYS NZ :NH3+ -165:sc= 0.81 (180deg=0.641) USER MOD Single : A 3 SER OG : rot 31:sc= 0.515 USER MOD Single : A 4 THR OG1 : rot -178:sc= -2.86! USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= -0.0246 (180deg=-0.269) USER MOD Single : A 25 THR OG1 : rot 51:sc= 1.16 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.17) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 136:sc= 0.406 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot -24:sc= 0.0129 USER MOD Single : B 4 THR OG1 : rot -179:sc= -3.03! USER MOD Single : B 9 LYS NZ :NH3+ 159:sc=-0.00877 (180deg=-0.168) USER MOD Single : B 25 THR OG1 : rot 59:sc= 1.24 USER MOD Single : B 31 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.2) USER MOD Single : B 37 TYR OH : rot 24:sc= 0.0803 USER MOD Single : B 42 LYS NZ :NH3+ -137:sc= 0.578 (180deg=0.0226) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 2.348 10.230 7.784 1.00 0.32 N ATOM 43 CA SER A 3 0.967 9.913 7.491 1.00 0.24 C ATOM 44 C SER A 3 0.277 11.079 6.839 1.00 0.25 C ATOM 45 O SER A 3 0.296 12.199 7.350 1.00 0.41 O ATOM 46 CB SER A 3 0.258 9.569 8.792 1.00 0.29 C ATOM 47 OG SER A 3 0.240 10.682 9.671 1.00 1.15 O ATOM 0 HA SER A 3 0.935 9.067 6.804 1.00 0.24 H new ATOM 0 HB2 SER A 3 -0.763 9.251 8.581 1.00 0.29 H new ATOM 0 HB3 SER A 3 0.760 8.729 9.273 1.00 0.29 H new ATOM 0 HG SER A 3 0.223 11.511 9.149 1.00 1.15 H new ATOM 53 N THR A 4 -0.341 10.811 5.720 1.00 0.20 N ATOM 54 CA THR A 4 -1.051 11.837 5.020 1.00 0.20 C ATOM 55 C THR A 4 -2.537 11.737 5.303 1.00 0.21 C ATOM 56 O THR A 4 -3.235 12.743 5.422 1.00 0.26 O ATOM 57 CB THR A 4 -0.806 11.725 3.515 1.00 0.19 C ATOM 58 OG1 THR A 4 -0.976 10.360 3.107 1.00 0.19 O ATOM 59 CG2 THR A 4 0.587 12.209 3.157 1.00 0.24 C ATOM 0 H THR A 4 -0.365 9.892 5.278 1.00 0.20 H new ATOM 0 HA THR A 4 -0.686 12.803 5.368 1.00 0.20 H new ATOM 0 HB THR A 4 -1.526 12.355 2.992 1.00 0.19 H new ATOM 0 HG1 THR A 4 -0.790 10.280 2.148 1.00 0.19 H new ATOM 0 HG21 THR A 4 0.738 12.120 2.081 1.00 0.24 H new ATOM 0 HG22 THR A 4 0.697 13.252 3.453 1.00 0.24 H new ATOM 0 HG23 THR A 4 1.328 11.603 3.679 1.00 0.24 H new ATOM 67 N GLY A 5 -3.009 10.503 5.431 1.00 0.19 N ATOM 68 CA GLY A 5 -4.427 10.266 5.532 1.00 0.22 C ATOM 69 C GLY A 5 -5.060 10.457 4.179 1.00 0.22 C ATOM 70 O GLY A 5 -6.034 11.187 4.021 1.00 0.36 O ATOM 0 H GLY A 5 -2.430 9.664 5.466 1.00 0.19 H new ATOM 0 HA2 GLY A 5 -4.614 9.255 5.894 1.00 0.22 H new ATOM 0 HA3 GLY A 5 -4.871 10.951 6.254 1.00 0.22 H new ATOM 74 N ILE A 6 -4.465 9.803 3.201 1.00 0.14 N ATOM 75 CA ILE A 6 -4.757 10.043 1.803 1.00 0.14 C ATOM 76 C ILE A 6 -5.216 8.747 1.140 1.00 0.12 C ATOM 77 O ILE A 6 -4.531 7.731 1.223 1.00 0.11 O ATOM 78 CB ILE A 6 -3.488 10.622 1.105 1.00 0.16 C ATOM 79 CG1 ILE A 6 -3.648 12.128 0.862 1.00 0.18 C ATOM 80 CG2 ILE A 6 -3.179 9.918 -0.214 1.00 0.17 C ATOM 81 CD1 ILE A 6 -3.801 12.953 2.122 1.00 0.19 C ATOM 0 H ILE A 6 -3.759 9.084 3.357 1.00 0.14 H new ATOM 0 HA ILE A 6 -5.564 10.770 1.709 1.00 0.14 H new ATOM 0 HB ILE A 6 -2.649 10.447 1.779 1.00 0.16 H new ATOM 0 HG12 ILE A 6 -2.780 12.489 0.310 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.520 12.291 0.228 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -2.287 10.357 -0.661 1.00 0.17 H new ATOM 0 HG22 ILE A 6 -3.008 8.858 -0.029 1.00 0.17 H new ATOM 0 HG23 ILE A 6 -4.022 10.036 -0.895 1.00 0.17 H new ATOM 0 HD11 ILE A 6 -3.908 14.005 1.857 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.686 12.624 2.667 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -2.919 12.825 2.750 1.00 0.19 H new ATOM 93 N VAL A 7 -6.384 8.765 0.508 1.00 0.13 N ATOM 94 CA VAL A 7 -6.888 7.555 -0.119 1.00 0.12 C ATOM 95 C VAL A 7 -6.539 7.527 -1.607 1.00 0.13 C ATOM 96 O VAL A 7 -6.482 8.566 -2.265 1.00 0.16 O ATOM 97 CB VAL A 7 -8.417 7.361 0.062 1.00 0.15 C ATOM 98 CG1 VAL A 7 -8.868 7.763 1.457 1.00 0.22 C ATOM 99 CG2 VAL A 7 -9.224 8.089 -1.004 1.00 0.21 C ATOM 0 H VAL A 7 -6.985 9.584 0.418 1.00 0.13 H new ATOM 0 HA VAL A 7 -6.396 6.727 0.392 1.00 0.12 H new ATOM 0 HB VAL A 7 -8.612 6.296 -0.062 1.00 0.15 H new ATOM 0 HG11 VAL A 7 -9.944 7.614 1.549 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -8.353 7.150 2.197 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -8.631 8.813 1.627 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.287 7.922 -0.833 1.00 0.21 H new ATOM 0 HG22 VAL A 7 -9.012 9.157 -0.955 1.00 0.21 H new ATOM 0 HG23 VAL A 7 -8.951 7.710 -1.989 1.00 0.21 H new ATOM 109 N ARG A 8 -6.277 6.335 -2.122 1.00 0.12 N ATOM 110 CA ARG A 8 -5.976 6.150 -3.537 1.00 0.14 C ATOM 111 C ARG A 8 -6.721 4.949 -4.084 1.00 0.15 C ATOM 112 O ARG A 8 -7.118 4.065 -3.329 1.00 0.13 O ATOM 113 CB ARG A 8 -4.472 5.951 -3.751 1.00 0.14 C ATOM 114 CG ARG A 8 -3.620 7.128 -3.315 1.00 0.20 C ATOM 115 CD ARG A 8 -3.897 8.351 -4.168 1.00 0.32 C ATOM 116 NE ARG A 8 -2.950 9.429 -3.894 1.00 0.48 N ATOM 117 CZ ARG A 8 -2.905 10.579 -4.566 1.00 0.65 C ATOM 118 NH1 ARG A 8 -3.798 10.838 -5.512 1.00 1.60 N ATOM 119 NH2 ARG A 8 -1.974 11.479 -4.269 1.00 0.67 N ATOM 0 H ARG A 8 -6.266 5.473 -1.577 1.00 0.12 H new ATOM 0 HA ARG A 8 -6.296 7.047 -4.067 1.00 0.14 H new ATOM 0 HB2 ARG A 8 -4.153 5.064 -3.204 1.00 0.14 H new ATOM 0 HB3 ARG A 8 -4.289 5.757 -4.808 1.00 0.14 H new ATOM 0 HG2 ARG A 8 -3.821 7.358 -2.269 1.00 0.20 H new ATOM 0 HG3 ARG A 8 -2.565 6.863 -3.386 1.00 0.20 H new ATOM 0 HD2 ARG A 8 -3.843 8.079 -5.222 1.00 0.32 H new ATOM 0 HD3 ARG A 8 -4.912 8.702 -3.981 1.00 0.32 H new ATOM 0 HE ARG A 8 -2.279 9.292 -3.138 1.00 0.48 H new ATOM 0 HH11 ARG A 8 -4.524 10.155 -5.728 1.00 1.60 H new ATOM 0 HH12 ARG A 8 -3.758 11.720 -6.023 1.00 1.60 H new ATOM 0 HH21 ARG A 8 -1.298 11.288 -3.530 1.00 0.67 H new ATOM 0 HH22 ARG A 8 -1.935 12.361 -4.780 1.00 0.67 H new ATOM 133 N LYS A 9 -6.909 4.923 -5.395 1.00 0.18 N ATOM 134 CA LYS A 9 -7.518 3.779 -6.059 1.00 0.19 C ATOM 135 C LYS A 9 -6.503 2.656 -6.224 1.00 0.18 C ATOM 136 O LYS A 9 -5.297 2.901 -6.299 1.00 0.21 O ATOM 137 CB LYS A 9 -8.028 4.185 -7.441 1.00 0.23 C ATOM 138 CG LYS A 9 -9.132 5.221 -7.419 1.00 0.34 C ATOM 139 CD LYS A 9 -10.483 4.586 -7.130 1.00 0.43 C ATOM 140 CE LYS A 9 -10.970 4.902 -5.728 1.00 0.37 C ATOM 141 NZ LYS A 9 -11.267 6.349 -5.556 1.00 1.09 N ATOM 0 H LYS A 9 -6.648 5.684 -6.022 1.00 0.18 H new ATOM 0 HA LYS A 9 -8.348 3.432 -5.444 1.00 0.19 H new ATOM 0 HB2 LYS A 9 -7.193 4.574 -8.024 1.00 0.23 H new ATOM 0 HB3 LYS A 9 -8.390 3.296 -7.957 1.00 0.23 H new ATOM 0 HG2 LYS A 9 -8.912 5.973 -6.661 1.00 0.34 H new ATOM 0 HG3 LYS A 9 -9.168 5.737 -8.379 1.00 0.34 H new ATOM 0 HD2 LYS A 9 -11.214 4.941 -7.857 1.00 0.43 H new ATOM 0 HD3 LYS A 9 -10.410 3.506 -7.254 1.00 0.43 H new ATOM 0 HE2 LYS A 9 -11.867 4.320 -5.516 1.00 0.37 H new ATOM 0 HE3 LYS A 9 -10.214 4.598 -5.004 1.00 0.37 H new ATOM 0 HZ1 LYS A 9 -11.937 6.475 -4.771 1.00 1.09 H new ATOM 0 HZ2 LYS A 9 -10.387 6.861 -5.345 1.00 1.09 H new ATOM 0 HZ3 LYS A 9 -11.685 6.724 -6.431 1.00 1.09 H new ATOM 155 N VAL A 10 -7.005 1.436 -6.292 1.00 0.17 N ATOM 156 CA VAL A 10 -6.158 0.251 -6.404 1.00 0.17 C ATOM 157 C VAL A 10 -5.980 -0.149 -7.880 1.00 0.22 C ATOM 158 O VAL A 10 -5.505 -1.244 -8.199 1.00 0.25 O ATOM 159 CB VAL A 10 -6.767 -0.915 -5.583 1.00 0.19 C ATOM 160 CG1 VAL A 10 -5.824 -2.107 -5.499 1.00 0.22 C ATOM 161 CG2 VAL A 10 -7.142 -0.435 -4.189 1.00 0.20 C ATOM 0 H VAL A 10 -8.005 1.234 -6.272 1.00 0.17 H new ATOM 0 HA VAL A 10 -5.173 0.482 -5.999 1.00 0.17 H new ATOM 0 HB VAL A 10 -7.666 -1.249 -6.102 1.00 0.19 H new ATOM 0 HG11 VAL A 10 -6.291 -2.900 -4.915 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.610 -2.473 -6.503 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -4.894 -1.802 -5.019 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -7.569 -1.262 -3.622 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -6.252 -0.067 -3.679 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -7.875 0.368 -4.266 1.00 0.20 H new ATOM 171 N ASP A 11 -6.360 0.764 -8.777 1.00 0.24 N ATOM 172 CA ASP A 11 -6.188 0.579 -10.216 1.00 0.35 C ATOM 173 C ASP A 11 -7.072 -0.568 -10.706 1.00 0.44 C ATOM 174 O ASP A 11 -8.149 -0.807 -10.172 1.00 0.77 O ATOM 175 CB ASP A 11 -4.705 0.314 -10.538 1.00 0.41 C ATOM 176 CG ASP A 11 -4.348 0.495 -11.999 1.00 0.49 C ATOM 177 OD1 ASP A 11 -4.121 1.645 -12.427 1.00 1.32 O ATOM 178 OD2 ASP A 11 -4.262 -0.524 -12.719 1.00 1.11 O ATOM 0 H ASP A 11 -6.795 1.651 -8.524 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.492 1.487 -10.736 1.00 0.35 H new ATOM 0 HB2 ASP A 11 -4.089 0.984 -9.939 1.00 0.41 H new ATOM 0 HB3 ASP A 11 -4.455 -0.703 -10.237 1.00 0.41 H new ATOM 183 N GLU A 12 -6.624 -1.246 -11.735 1.00 0.34 N ATOM 184 CA GLU A 12 -7.322 -2.405 -12.272 1.00 0.38 C ATOM 185 C GLU A 12 -6.454 -3.632 -12.092 1.00 0.29 C ATOM 186 O GLU A 12 -6.911 -4.693 -11.672 1.00 0.35 O ATOM 187 CB GLU A 12 -7.632 -2.226 -13.765 1.00 0.58 C ATOM 188 CG GLU A 12 -6.913 -1.055 -14.415 1.00 0.72 C ATOM 189 CD GLU A 12 -7.723 0.230 -14.380 1.00 1.25 C ATOM 190 OE1 GLU A 12 -7.925 0.796 -13.287 1.00 2.06 O ATOM 191 OE2 GLU A 12 -8.172 0.679 -15.453 1.00 1.53 O ATOM 0 H GLU A 12 -5.763 -1.014 -12.230 1.00 0.34 H new ATOM 0 HA GLU A 12 -8.264 -2.518 -11.736 1.00 0.38 H new ATOM 0 HB2 GLU A 12 -7.363 -3.141 -14.293 1.00 0.58 H new ATOM 0 HB3 GLU A 12 -8.707 -2.091 -13.888 1.00 0.58 H new ATOM 0 HG2 GLU A 12 -5.962 -0.893 -13.908 1.00 0.72 H new ATOM 0 HG3 GLU A 12 -6.684 -1.306 -15.451 1.00 0.72 H new ATOM 198 N LEU A 13 -5.182 -3.459 -12.405 1.00 0.25 N ATOM 199 CA LEU A 13 -4.216 -4.545 -12.334 1.00 0.25 C ATOM 200 C LEU A 13 -3.924 -4.924 -10.886 1.00 0.26 C ATOM 201 O LEU A 13 -3.379 -5.993 -10.615 1.00 0.41 O ATOM 202 CB LEU A 13 -2.927 -4.158 -13.063 1.00 0.33 C ATOM 203 CG LEU A 13 -2.998 -4.202 -14.598 1.00 0.41 C ATOM 204 CD1 LEU A 13 -3.331 -5.607 -15.076 1.00 0.45 C ATOM 205 CD2 LEU A 13 -4.019 -3.203 -15.140 1.00 0.40 C ATOM 0 H LEU A 13 -4.790 -2.569 -12.714 1.00 0.25 H new ATOM 0 HA LEU A 13 -4.646 -5.417 -12.827 1.00 0.25 H new ATOM 0 HB2 LEU A 13 -2.646 -3.150 -12.758 1.00 0.33 H new ATOM 0 HB3 LEU A 13 -2.130 -4.824 -12.734 1.00 0.33 H new ATOM 0 HG LEU A 13 -2.017 -3.921 -14.982 1.00 0.41 H new ATOM 0 HD11 LEU A 13 -3.377 -5.619 -16.165 1.00 0.45 H new ATOM 0 HD12 LEU A 13 -2.560 -6.299 -14.738 1.00 0.45 H new ATOM 0 HD13 LEU A 13 -4.295 -5.911 -14.668 1.00 0.45 H new ATOM 0 HD21 LEU A 13 -4.043 -3.261 -16.228 1.00 0.40 H new ATOM 0 HD22 LEU A 13 -5.006 -3.439 -14.742 1.00 0.40 H new ATOM 0 HD23 LEU A 13 -3.738 -2.195 -14.837 1.00 0.40 H new ATOM 217 N GLY A 14 -4.280 -4.039 -9.967 1.00 0.19 N ATOM 218 CA GLY A 14 -4.189 -4.357 -8.556 1.00 0.18 C ATOM 219 C GLY A 14 -3.132 -3.562 -7.858 1.00 0.15 C ATOM 220 O GLY A 14 -2.862 -3.769 -6.686 1.00 0.18 O ATOM 0 H GLY A 14 -4.631 -3.104 -10.173 1.00 0.19 H new ATOM 0 HA2 GLY A 14 -5.152 -4.170 -8.082 1.00 0.18 H new ATOM 0 HA3 GLY A 14 -3.977 -5.420 -8.439 1.00 0.18 H new ATOM 224 N ARG A 15 -2.519 -2.656 -8.574 1.00 0.14 N ATOM 225 CA ARG A 15 -1.523 -1.814 -7.978 1.00 0.13 C ATOM 226 C ARG A 15 -2.112 -0.487 -7.531 1.00 0.14 C ATOM 227 O ARG A 15 -2.641 0.272 -8.336 1.00 0.17 O ATOM 228 CB ARG A 15 -0.336 -1.623 -8.923 1.00 0.13 C ATOM 229 CG ARG A 15 -0.694 -1.488 -10.388 1.00 0.23 C ATOM 230 CD ARG A 15 0.558 -1.582 -11.250 1.00 0.37 C ATOM 231 NE ARG A 15 0.294 -1.811 -12.678 1.00 0.86 N ATOM 232 CZ ARG A 15 -0.635 -1.192 -13.422 1.00 1.03 C ATOM 233 NH1 ARG A 15 -1.486 -0.325 -12.892 1.00 1.33 N ATOM 234 NH2 ARG A 15 -0.706 -1.458 -14.715 1.00 1.58 N ATOM 0 H ARG A 15 -2.692 -2.485 -9.565 1.00 0.14 H new ATOM 0 HA ARG A 15 -1.152 -2.312 -7.082 1.00 0.13 H new ATOM 0 HB2 ARG A 15 0.213 -0.733 -8.616 1.00 0.13 H new ATOM 0 HB3 ARG A 15 0.340 -2.470 -8.807 1.00 0.13 H new ATOM 0 HG2 ARG A 15 -1.398 -2.271 -10.671 1.00 0.23 H new ATOM 0 HG3 ARG A 15 -1.192 -0.534 -10.561 1.00 0.23 H new ATOM 0 HD2 ARG A 15 1.130 -0.660 -11.142 1.00 0.37 H new ATOM 0 HD3 ARG A 15 1.184 -2.391 -10.874 1.00 0.37 H new ATOM 0 HE ARG A 15 0.873 -2.507 -13.148 1.00 0.86 H new ATOM 0 HH11 ARG A 15 -1.444 -0.114 -11.895 1.00 1.33 H new ATOM 0 HH12 ARG A 15 -2.182 0.131 -13.481 1.00 1.33 H new ATOM 0 HH21 ARG A 15 -0.060 -2.126 -15.134 1.00 1.58 H new ATOM 0 HH22 ARG A 15 -1.407 -0.995 -15.293 1.00 1.58 H new ATOM 248 N VAL A 16 -1.985 -0.207 -6.238 1.00 0.14 N ATOM 249 CA VAL A 16 -2.502 1.026 -5.673 1.00 0.14 C ATOM 250 C VAL A 16 -1.491 2.118 -5.917 1.00 0.12 C ATOM 251 O VAL A 16 -0.303 1.929 -5.668 1.00 0.12 O ATOM 252 CB VAL A 16 -2.770 0.919 -4.144 1.00 0.15 C ATOM 253 CG1 VAL A 16 -1.488 0.890 -3.334 1.00 0.15 C ATOM 254 CG2 VAL A 16 -3.675 2.046 -3.675 1.00 0.17 C ATOM 0 H VAL A 16 -1.527 -0.821 -5.564 1.00 0.14 H new ATOM 0 HA VAL A 16 -3.455 1.243 -6.155 1.00 0.14 H new ATOM 0 HB VAL A 16 -3.277 -0.031 -3.976 1.00 0.15 H new ATOM 0 HG11 VAL A 16 -1.729 0.815 -2.274 1.00 0.15 H new ATOM 0 HG12 VAL A 16 -0.889 0.030 -3.632 1.00 0.15 H new ATOM 0 HG13 VAL A 16 -0.923 1.805 -3.514 1.00 0.15 H new ATOM 0 HG21 VAL A 16 -3.849 1.951 -2.603 1.00 0.17 H new ATOM 0 HG22 VAL A 16 -3.199 3.005 -3.882 1.00 0.17 H new ATOM 0 HG23 VAL A 16 -4.627 1.992 -4.203 1.00 0.17 H new ATOM 264 N VAL A 17 -1.934 3.244 -6.426 1.00 0.12 N ATOM 265 CA VAL A 17 -1.001 4.297 -6.752 1.00 0.11 C ATOM 266 C VAL A 17 -0.551 4.978 -5.479 1.00 0.10 C ATOM 267 O VAL A 17 -1.141 5.967 -5.043 1.00 0.12 O ATOM 268 CB VAL A 17 -1.595 5.338 -7.726 1.00 0.14 C ATOM 269 CG1 VAL A 17 -0.511 6.272 -8.245 1.00 0.16 C ATOM 270 CG2 VAL A 17 -2.318 4.656 -8.879 1.00 0.19 C ATOM 0 H VAL A 17 -2.913 3.453 -6.620 1.00 0.12 H new ATOM 0 HA VAL A 17 -0.151 3.839 -7.258 1.00 0.11 H new ATOM 0 HB VAL A 17 -2.324 5.934 -7.177 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.952 6.997 -8.929 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -0.051 6.797 -7.408 1.00 0.16 H new ATOM 0 HG13 VAL A 17 0.248 5.692 -8.770 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -2.727 5.412 -9.550 1.00 0.19 H new ATOM 0 HG22 VAL A 17 -1.617 4.026 -9.426 1.00 0.19 H new ATOM 0 HG23 VAL A 17 -3.129 4.042 -8.488 1.00 0.19 H new ATOM 280 N ILE A 18 0.465 4.400 -4.856 1.00 0.10 N ATOM 281 CA ILE A 18 1.045 4.999 -3.695 1.00 0.10 C ATOM 282 C ILE A 18 1.810 6.232 -4.135 1.00 0.10 C ATOM 283 O ILE A 18 2.758 6.138 -4.913 1.00 0.11 O ATOM 284 CB ILE A 18 1.961 4.053 -2.892 1.00 0.12 C ATOM 285 CG1 ILE A 18 2.892 4.855 -1.968 1.00 0.15 C ATOM 286 CG2 ILE A 18 2.753 3.118 -3.793 1.00 0.14 C ATOM 287 CD1 ILE A 18 3.634 4.005 -0.959 1.00 0.20 C ATOM 0 H ILE A 18 0.894 3.520 -5.144 1.00 0.10 H new ATOM 0 HA ILE A 18 0.234 5.256 -3.014 1.00 0.10 H new ATOM 0 HB ILE A 18 1.319 3.425 -2.274 1.00 0.12 H new ATOM 0 HG12 ILE A 18 3.617 5.394 -2.578 1.00 0.15 H new ATOM 0 HG13 ILE A 18 2.304 5.603 -1.436 1.00 0.15 H new ATOM 0 HG21 ILE A 18 3.383 2.471 -3.182 1.00 0.14 H new ATOM 0 HG22 ILE A 18 2.065 2.507 -4.378 1.00 0.14 H new ATOM 0 HG23 ILE A 18 3.379 3.704 -4.466 1.00 0.14 H new ATOM 0 HD11 ILE A 18 4.270 4.642 -0.344 1.00 0.20 H new ATOM 0 HD12 ILE A 18 2.917 3.486 -0.323 1.00 0.20 H new ATOM 0 HD13 ILE A 18 4.250 3.274 -1.482 1.00 0.20 H new ATOM 299 N PRO A 19 1.391 7.403 -3.672 1.00 0.14 N ATOM 300 CA PRO A 19 1.923 8.662 -4.165 1.00 0.17 C ATOM 301 C PRO A 19 3.438 8.733 -4.076 1.00 0.18 C ATOM 302 O PRO A 19 4.037 8.311 -3.078 1.00 0.15 O ATOM 303 CB PRO A 19 1.286 9.703 -3.254 1.00 0.22 C ATOM 304 CG PRO A 19 0.049 9.050 -2.744 1.00 0.22 C ATOM 305 CD PRO A 19 0.382 7.593 -2.624 1.00 0.19 C ATOM 0 HA PRO A 19 1.697 8.806 -5.222 1.00 0.17 H new ATOM 0 HB2 PRO A 19 1.954 9.978 -2.438 1.00 0.22 H new ATOM 0 HB3 PRO A 19 1.055 10.618 -3.799 1.00 0.22 H new ATOM 0 HG2 PRO A 19 -0.245 9.466 -1.780 1.00 0.22 H new ATOM 0 HG3 PRO A 19 -0.787 9.206 -3.426 1.00 0.22 H new ATOM 0 HD2 PRO A 19 0.773 7.347 -1.637 1.00 0.19 H new ATOM 0 HD3 PRO A 19 -0.493 6.963 -2.786 1.00 0.19 H new ATOM 313 N ILE A 20 4.051 9.281 -5.119 1.00 0.24 N ATOM 314 CA ILE A 20 5.497 9.430 -5.176 1.00 0.27 C ATOM 315 C ILE A 20 5.984 10.214 -3.973 1.00 0.27 C ATOM 316 O ILE A 20 7.082 10.008 -3.484 1.00 0.26 O ATOM 317 CB ILE A 20 5.954 10.130 -6.476 1.00 0.39 C ATOM 318 CG1 ILE A 20 5.411 11.565 -6.570 1.00 0.47 C ATOM 319 CG2 ILE A 20 5.523 9.308 -7.679 1.00 0.44 C ATOM 320 CD1 ILE A 20 6.354 12.614 -6.012 1.00 0.51 C ATOM 0 H ILE A 20 3.562 9.632 -5.943 1.00 0.24 H new ATOM 0 HA ILE A 20 5.932 8.430 -5.166 1.00 0.27 H new ATOM 0 HB ILE A 20 7.042 10.200 -6.462 1.00 0.39 H new ATOM 0 HG12 ILE A 20 5.202 11.797 -7.614 1.00 0.47 H new ATOM 0 HG13 ILE A 20 4.463 11.621 -6.035 1.00 0.47 H new ATOM 0 HG21 ILE A 20 5.847 9.804 -8.594 1.00 0.44 H new ATOM 0 HG22 ILE A 20 5.975 8.318 -7.624 1.00 0.44 H new ATOM 0 HG23 ILE A 20 4.437 9.211 -7.683 1.00 0.44 H new ATOM 0 HD11 ILE A 20 5.902 13.601 -6.114 1.00 0.51 H new ATOM 0 HD12 ILE A 20 6.544 12.409 -4.959 1.00 0.51 H new ATOM 0 HD13 ILE A 20 7.294 12.588 -6.562 1.00 0.51 H new ATOM 332 N GLU A 21 5.115 11.086 -3.497 1.00 0.31 N ATOM 333 CA GLU A 21 5.401 11.966 -2.382 1.00 0.35 C ATOM 334 C GLU A 21 5.576 11.156 -1.114 1.00 0.31 C ATOM 335 O GLU A 21 6.515 11.361 -0.340 1.00 0.32 O ATOM 336 CB GLU A 21 4.242 12.953 -2.222 1.00 0.42 C ATOM 337 CG GLU A 21 3.303 12.968 -3.426 1.00 0.62 C ATOM 338 CD GLU A 21 2.185 13.978 -3.299 1.00 0.61 C ATOM 339 OE1 GLU A 21 2.445 15.183 -3.495 1.00 1.33 O ATOM 340 OE2 GLU A 21 1.041 13.570 -3.015 1.00 1.17 O ATOM 0 H GLU A 21 4.177 11.204 -3.880 1.00 0.31 H new ATOM 0 HA GLU A 21 6.324 12.513 -2.571 1.00 0.35 H new ATOM 0 HB2 GLU A 21 3.674 12.696 -1.328 1.00 0.42 H new ATOM 0 HB3 GLU A 21 4.643 13.955 -2.068 1.00 0.42 H new ATOM 0 HG2 GLU A 21 3.880 13.185 -4.325 1.00 0.62 H new ATOM 0 HG3 GLU A 21 2.873 11.975 -3.555 1.00 0.62 H new ATOM 347 N LEU A 22 4.687 10.209 -0.924 1.00 0.28 N ATOM 348 CA LEU A 22 4.748 9.359 0.237 1.00 0.27 C ATOM 349 C LEU A 22 5.931 8.429 0.155 1.00 0.24 C ATOM 350 O LEU A 22 6.689 8.308 1.106 1.00 0.26 O ATOM 351 CB LEU A 22 3.461 8.577 0.403 1.00 0.27 C ATOM 352 CG LEU A 22 2.354 9.372 1.069 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.587 10.203 0.061 1.00 0.34 C ATOM 354 CD2 LEU A 22 1.428 8.442 1.828 1.00 0.32 C ATOM 0 H LEU A 22 3.914 10.010 -1.559 1.00 0.28 H new ATOM 0 HA LEU A 22 4.873 9.994 1.114 1.00 0.27 H new ATOM 0 HB2 LEU A 22 3.119 8.242 -0.576 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.662 7.683 0.993 1.00 0.27 H new ATOM 0 HG LEU A 22 2.809 10.064 1.778 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.801 10.760 0.571 1.00 0.34 H new ATOM 0 HD12 LEU A 22 2.267 10.900 -0.428 1.00 0.34 H new ATOM 0 HD13 LEU A 22 1.140 9.547 -0.686 1.00 0.34 H new ATOM 0 HD21 LEU A 22 0.637 9.023 2.302 1.00 0.32 H new ATOM 0 HD22 LEU A 22 0.986 7.724 1.137 1.00 0.32 H new ATOM 0 HD23 LEU A 22 1.994 7.909 2.592 1.00 0.32 H new ATOM 366 N ARG A 23 6.137 7.822 -1.005 1.00 0.20 N ATOM 367 CA ARG A 23 7.256 6.912 -1.180 1.00 0.19 C ATOM 368 C ARG A 23 8.551 7.714 -1.180 1.00 0.19 C ATOM 369 O ARG A 23 9.640 7.176 -1.037 1.00 0.20 O ATOM 370 CB ARG A 23 7.070 6.077 -2.463 1.00 0.21 C ATOM 371 CG ARG A 23 7.208 6.850 -3.764 1.00 0.28 C ATOM 372 CD ARG A 23 8.651 6.871 -4.236 1.00 0.31 C ATOM 373 NE ARG A 23 8.853 7.720 -5.405 1.00 0.70 N ATOM 374 CZ ARG A 23 9.761 8.695 -5.458 1.00 0.89 C ATOM 375 NH1 ARG A 23 10.544 8.934 -4.413 1.00 0.91 N ATOM 376 NH2 ARG A 23 9.908 9.419 -6.558 1.00 1.38 N ATOM 0 H ARG A 23 5.550 7.942 -1.830 1.00 0.20 H new ATOM 0 HA ARG A 23 7.303 6.202 -0.354 1.00 0.19 H new ATOM 0 HB2 ARG A 23 7.801 5.268 -2.460 1.00 0.21 H new ATOM 0 HB3 ARG A 23 6.083 5.615 -2.437 1.00 0.21 H new ATOM 0 HG2 ARG A 23 6.578 6.396 -4.529 1.00 0.28 H new ATOM 0 HG3 ARG A 23 6.853 7.871 -3.624 1.00 0.28 H new ATOM 0 HD2 ARG A 23 9.289 7.221 -3.424 1.00 0.31 H new ATOM 0 HD3 ARG A 23 8.966 5.855 -4.473 1.00 0.31 H new ATOM 0 HE ARG A 23 8.269 7.559 -6.225 1.00 0.70 H new ATOM 0 HH11 ARG A 23 10.452 8.371 -3.567 1.00 0.91 H new ATOM 0 HH12 ARG A 23 11.238 9.680 -4.456 1.00 0.91 H new ATOM 0 HH21 ARG A 23 9.324 9.232 -7.373 1.00 1.38 H new ATOM 0 HH22 ARG A 23 10.605 10.163 -6.590 1.00 1.38 H new ATOM 390 N ARG A 24 8.399 9.018 -1.315 1.00 0.22 N ATOM 391 CA ARG A 24 9.495 9.954 -1.169 1.00 0.25 C ATOM 392 C ARG A 24 9.708 10.255 0.303 1.00 0.26 C ATOM 393 O ARG A 24 10.821 10.544 0.743 1.00 0.30 O ATOM 394 CB ARG A 24 9.156 11.224 -1.937 1.00 0.32 C ATOM 395 CG ARG A 24 10.120 12.371 -1.736 1.00 0.35 C ATOM 396 CD ARG A 24 9.586 13.366 -0.720 1.00 0.69 C ATOM 397 NE ARG A 24 10.578 14.382 -0.379 1.00 0.77 N ATOM 398 CZ ARG A 24 10.282 15.592 0.091 1.00 1.12 C ATOM 399 NH1 ARG A 24 9.016 15.961 0.257 1.00 1.94 N ATOM 400 NH2 ARG A 24 11.259 16.439 0.385 1.00 1.19 N ATOM 0 H ARG A 24 7.505 9.459 -1.531 1.00 0.22 H new ATOM 0 HA ARG A 24 10.416 9.530 -1.569 1.00 0.25 H new ATOM 0 HB2 ARG A 24 9.114 10.987 -3.000 1.00 0.32 H new ATOM 0 HB3 ARG A 24 8.159 11.552 -1.644 1.00 0.32 H new ATOM 0 HG2 ARG A 24 11.083 11.986 -1.400 1.00 0.35 H new ATOM 0 HG3 ARG A 24 10.293 12.875 -2.687 1.00 0.35 H new ATOM 0 HD2 ARG A 24 8.694 13.849 -1.119 1.00 0.69 H new ATOM 0 HD3 ARG A 24 9.284 12.836 0.183 1.00 0.69 H new ATOM 0 HE ARG A 24 11.562 14.149 -0.509 1.00 0.77 H new ATOM 0 HH11 ARG A 24 8.262 15.315 0.024 1.00 1.94 H new ATOM 0 HH12 ARG A 24 8.799 16.890 0.618 1.00 1.94 H new ATOM 0 HH21 ARG A 24 12.232 16.162 0.251 1.00 1.19 H new ATOM 0 HH22 ARG A 24 11.038 17.367 0.745 1.00 1.19 H new ATOM 414 N THR A 25 8.628 10.153 1.061 1.00 0.28 N ATOM 415 CA THR A 25 8.664 10.399 2.481 1.00 0.34 C ATOM 416 C THR A 25 9.435 9.293 3.178 1.00 0.32 C ATOM 417 O THR A 25 10.280 9.548 4.040 1.00 0.36 O ATOM 418 CB THR A 25 7.239 10.484 3.057 1.00 0.39 C ATOM 419 OG1 THR A 25 6.517 11.547 2.416 1.00 0.43 O ATOM 420 CG2 THR A 25 7.272 10.719 4.553 1.00 0.48 C ATOM 0 H THR A 25 7.707 9.898 0.704 1.00 0.28 H new ATOM 0 HA THR A 25 9.164 11.352 2.652 1.00 0.34 H new ATOM 0 HB THR A 25 6.737 9.535 2.868 1.00 0.39 H new ATOM 0 HG1 THR A 25 6.594 11.454 1.443 1.00 0.43 H new ATOM 0 HG21 THR A 25 6.253 10.775 4.935 1.00 0.48 H new ATOM 0 HG22 THR A 25 7.797 9.897 5.039 1.00 0.48 H new ATOM 0 HG23 THR A 25 7.790 11.655 4.763 1.00 0.48 H new ATOM 428 N LEU A 26 9.160 8.061 2.775 1.00 0.29 N ATOM 429 CA LEU A 26 9.871 6.919 3.325 1.00 0.32 C ATOM 430 C LEU A 26 11.221 6.789 2.633 1.00 0.30 C ATOM 431 O LEU A 26 12.113 6.078 3.100 1.00 0.38 O ATOM 432 CB LEU A 26 9.077 5.618 3.158 1.00 0.38 C ATOM 433 CG LEU A 26 7.599 5.639 3.583 1.00 0.47 C ATOM 434 CD1 LEU A 26 7.309 6.717 4.621 1.00 0.58 C ATOM 435 CD2 LEU A 26 6.704 5.790 2.371 1.00 0.56 C ATOM 0 H LEU A 26 8.455 7.829 2.075 1.00 0.29 H new ATOM 0 HA LEU A 26 10.008 7.087 4.393 1.00 0.32 H new ATOM 0 HB2 LEU A 26 9.123 5.326 2.109 1.00 0.38 H new ATOM 0 HB3 LEU A 26 9.582 4.838 3.728 1.00 0.38 H new ATOM 0 HG LEU A 26 7.383 4.683 4.060 1.00 0.47 H new ATOM 0 HD11 LEU A 26 6.252 6.690 4.888 1.00 0.58 H new ATOM 0 HD12 LEU A 26 7.913 6.537 5.511 1.00 0.58 H new ATOM 0 HD13 LEU A 26 7.554 7.695 4.208 1.00 0.58 H new ATOM 0 HD21 LEU A 26 5.661 5.803 2.688 1.00 0.56 H new ATOM 0 HD22 LEU A 26 6.939 6.723 1.859 1.00 0.56 H new ATOM 0 HD23 LEU A 26 6.866 4.953 1.692 1.00 0.56 H new ATOM 447 N GLY A 27 11.345 7.484 1.503 1.00 0.24 N ATOM 448 CA GLY A 27 12.581 7.506 0.745 1.00 0.26 C ATOM 449 C GLY A 27 12.806 6.226 -0.033 1.00 0.30 C ATOM 450 O GLY A 27 13.937 5.889 -0.390 1.00 0.42 O ATOM 0 H GLY A 27 10.594 8.041 1.095 1.00 0.24 H new ATOM 0 HA2 GLY A 27 12.565 8.349 0.055 1.00 0.26 H new ATOM 0 HA3 GLY A 27 13.418 7.666 1.425 1.00 0.26 H new ATOM 454 N ILE A 28 11.720 5.511 -0.281 1.00 0.28 N ATOM 455 CA ILE A 28 11.737 4.354 -1.156 1.00 0.32 C ATOM 456 C ILE A 28 11.593 4.826 -2.601 1.00 0.26 C ATOM 457 O ILE A 28 11.852 5.992 -2.912 1.00 0.29 O ATOM 458 CB ILE A 28 10.595 3.372 -0.810 1.00 0.38 C ATOM 459 CG1 ILE A 28 9.245 3.995 -1.131 1.00 0.41 C ATOM 460 CG2 ILE A 28 10.670 2.970 0.657 1.00 0.70 C ATOM 461 CD1 ILE A 28 8.101 3.024 -1.024 1.00 0.49 C ATOM 0 H ILE A 28 10.805 5.717 0.119 1.00 0.28 H new ATOM 0 HA ILE A 28 12.682 3.827 -1.023 1.00 0.32 H new ATOM 0 HB ILE A 28 10.709 2.474 -1.417 1.00 0.38 H new ATOM 0 HG12 ILE A 28 9.068 4.830 -0.454 1.00 0.41 H new ATOM 0 HG13 ILE A 28 9.272 4.404 -2.141 1.00 0.41 H new ATOM 0 HG21 ILE A 28 9.860 2.278 0.887 1.00 0.70 H new ATOM 0 HG22 ILE A 28 11.627 2.486 0.853 1.00 0.70 H new ATOM 0 HG23 ILE A 28 10.577 3.858 1.283 1.00 0.70 H new ATOM 0 HD11 ILE A 28 7.168 3.533 -1.266 1.00 0.49 H new ATOM 0 HD12 ILE A 28 8.256 2.201 -1.721 1.00 0.49 H new ATOM 0 HD13 ILE A 28 8.049 2.634 -0.008 1.00 0.49 H new ATOM 473 N ALA A 29 11.161 3.940 -3.474 1.00 0.23 N ATOM 474 CA ALA A 29 10.992 4.273 -4.875 1.00 0.25 C ATOM 475 C ALA A 29 9.960 3.367 -5.504 1.00 0.25 C ATOM 476 O ALA A 29 9.409 2.497 -4.840 1.00 0.28 O ATOM 477 CB ALA A 29 12.319 4.164 -5.618 1.00 0.31 C ATOM 0 H ALA A 29 10.919 2.978 -3.237 1.00 0.23 H new ATOM 0 HA ALA A 29 10.645 5.304 -4.947 1.00 0.25 H new ATOM 0 HB1 ALA A 29 12.170 4.418 -6.668 1.00 0.31 H new ATOM 0 HB2 ALA A 29 13.040 4.852 -5.177 1.00 0.31 H new ATOM 0 HB3 ALA A 29 12.696 3.144 -5.541 1.00 0.31 H new ATOM 483 N GLU A 30 9.703 3.577 -6.779 1.00 0.24 N ATOM 484 CA GLU A 30 8.787 2.741 -7.524 1.00 0.26 C ATOM 485 C GLU A 30 9.484 1.441 -7.889 1.00 0.24 C ATOM 486 O GLU A 30 8.883 0.371 -7.931 1.00 0.26 O ATOM 487 CB GLU A 30 8.307 3.482 -8.775 1.00 0.35 C ATOM 488 CG GLU A 30 9.441 4.107 -9.577 1.00 0.44 C ATOM 489 CD GLU A 30 9.813 5.500 -9.103 1.00 1.17 C ATOM 490 OE1 GLU A 30 10.637 5.613 -8.172 1.00 2.00 O ATOM 491 OE2 GLU A 30 9.302 6.484 -9.673 1.00 1.68 O ATOM 0 H GLU A 30 10.122 4.329 -7.325 1.00 0.24 H new ATOM 0 HA GLU A 30 7.913 2.509 -6.915 1.00 0.26 H new ATOM 0 HB2 GLU A 30 7.760 2.788 -9.413 1.00 0.35 H new ATOM 0 HB3 GLU A 30 7.606 4.263 -8.480 1.00 0.35 H new ATOM 0 HG2 GLU A 30 10.318 3.463 -9.515 1.00 0.44 H new ATOM 0 HG3 GLU A 30 9.152 4.153 -10.627 1.00 0.44 H new ATOM 498 N LYS A 31 10.781 1.546 -8.111 1.00 0.25 N ATOM 499 CA LYS A 31 11.605 0.390 -8.407 1.00 0.25 C ATOM 500 C LYS A 31 11.937 -0.348 -7.117 1.00 0.23 C ATOM 501 O LYS A 31 12.630 -1.368 -7.128 1.00 0.28 O ATOM 502 CB LYS A 31 12.890 0.836 -9.099 1.00 0.30 C ATOM 503 CG LYS A 31 12.670 1.836 -10.226 1.00 0.41 C ATOM 504 CD LYS A 31 12.184 1.173 -11.507 1.00 0.50 C ATOM 505 CE LYS A 31 10.701 0.853 -11.452 1.00 0.44 C ATOM 506 NZ LYS A 31 10.244 0.116 -12.658 1.00 0.67 N ATOM 0 H LYS A 31 11.290 2.430 -8.091 1.00 0.25 H new ATOM 0 HA LYS A 31 11.059 -0.281 -9.070 1.00 0.25 H new ATOM 0 HB2 LYS A 31 13.555 1.280 -8.358 1.00 0.30 H new ATOM 0 HB3 LYS A 31 13.399 -0.041 -9.499 1.00 0.30 H new ATOM 0 HG2 LYS A 31 11.942 2.582 -9.908 1.00 0.41 H new ATOM 0 HG3 LYS A 31 13.602 2.365 -10.425 1.00 0.41 H new ATOM 0 HD2 LYS A 31 12.382 1.830 -12.354 1.00 0.50 H new ATOM 0 HD3 LYS A 31 12.747 0.255 -11.677 1.00 0.50 H new ATOM 0 HE2 LYS A 31 10.492 0.258 -10.563 1.00 0.44 H new ATOM 0 HE3 LYS A 31 10.134 1.779 -11.357 1.00 0.44 H new ATOM 0 HZ1 LYS A 31 9.214 -0.023 -12.611 1.00 0.67 H new ATOM 0 HZ2 LYS A 31 10.481 0.663 -13.510 1.00 0.67 H new ATOM 0 HZ3 LYS A 31 10.716 -0.810 -12.699 1.00 0.67 H new ATOM 520 N ASP A 32 11.433 0.180 -6.008 1.00 0.20 N ATOM 521 CA ASP A 32 11.682 -0.380 -4.705 1.00 0.19 C ATOM 522 C ASP A 32 10.639 -1.448 -4.413 1.00 0.18 C ATOM 523 O ASP A 32 9.695 -1.638 -5.185 1.00 0.25 O ATOM 524 CB ASP A 32 11.629 0.744 -3.671 1.00 0.20 C ATOM 525 CG ASP A 32 12.379 0.455 -2.378 1.00 0.64 C ATOM 526 OD1 ASP A 32 12.538 -0.725 -2.006 1.00 1.65 O ATOM 527 OD2 ASP A 32 12.833 1.428 -1.737 1.00 1.00 O ATOM 0 H ASP A 32 10.840 1.010 -5.997 1.00 0.20 H new ATOM 0 HA ASP A 32 12.667 -0.846 -4.665 1.00 0.19 H new ATOM 0 HB2 ASP A 32 12.039 1.650 -4.118 1.00 0.20 H new ATOM 0 HB3 ASP A 32 10.586 0.950 -3.432 1.00 0.20 H new ATOM 532 N ALA A 33 10.818 -2.151 -3.321 1.00 0.16 N ATOM 533 CA ALA A 33 9.874 -3.160 -2.904 1.00 0.15 C ATOM 534 C ALA A 33 9.356 -2.798 -1.526 1.00 0.17 C ATOM 535 O ALA A 33 10.059 -2.174 -0.731 1.00 0.26 O ATOM 536 CB ALA A 33 10.514 -4.540 -2.883 1.00 0.18 C ATOM 0 H ALA A 33 11.618 -2.041 -2.698 1.00 0.16 H new ATOM 0 HA ALA A 33 9.050 -3.195 -3.617 1.00 0.15 H new ATOM 0 HB1 ALA A 33 9.777 -5.278 -2.565 1.00 0.18 H new ATOM 0 HB2 ALA A 33 10.871 -4.791 -3.882 1.00 0.18 H new ATOM 0 HB3 ALA A 33 11.353 -4.541 -2.187 1.00 0.18 H new ATOM 542 N LEU A 34 8.145 -3.201 -1.241 1.00 0.14 N ATOM 543 CA LEU A 34 7.506 -2.866 0.006 1.00 0.14 C ATOM 544 C LEU A 34 7.067 -4.139 0.682 1.00 0.13 C ATOM 545 O LEU A 34 6.406 -4.965 0.069 1.00 0.13 O ATOM 546 CB LEU A 34 6.299 -1.968 -0.247 1.00 0.15 C ATOM 547 CG LEU A 34 6.639 -0.542 -0.681 1.00 0.15 C ATOM 548 CD1 LEU A 34 5.421 0.134 -1.289 1.00 0.22 C ATOM 549 CD2 LEU A 34 7.125 0.256 0.515 1.00 0.27 C ATOM 0 H LEU A 34 7.574 -3.770 -1.866 1.00 0.14 H new ATOM 0 HA LEU A 34 8.207 -2.330 0.645 1.00 0.14 H new ATOM 0 HB2 LEU A 34 5.677 -2.428 -1.015 1.00 0.15 H new ATOM 0 HB3 LEU A 34 5.701 -1.923 0.663 1.00 0.15 H new ATOM 0 HG LEU A 34 7.427 -0.584 -1.433 1.00 0.15 H new ATOM 0 HD11 LEU A 34 5.681 1.148 -1.592 1.00 0.22 H new ATOM 0 HD12 LEU A 34 5.088 -0.431 -2.160 1.00 0.22 H new ATOM 0 HD13 LEU A 34 4.619 0.170 -0.552 1.00 0.22 H new ATOM 0 HD21 LEU A 34 7.366 1.272 0.201 1.00 0.27 H new ATOM 0 HD22 LEU A 34 6.343 0.287 1.274 1.00 0.27 H new ATOM 0 HD23 LEU A 34 8.015 -0.216 0.930 1.00 0.27 H new ATOM 561 N GLU A 35 7.426 -4.297 1.933 1.00 0.15 N ATOM 562 CA GLU A 35 7.105 -5.493 2.652 1.00 0.15 C ATOM 563 C GLU A 35 5.750 -5.329 3.296 1.00 0.13 C ATOM 564 O GLU A 35 5.607 -4.703 4.349 1.00 0.14 O ATOM 565 CB GLU A 35 8.168 -5.788 3.694 1.00 0.21 C ATOM 566 CG GLU A 35 8.114 -7.219 4.170 1.00 0.27 C ATOM 567 CD GLU A 35 9.090 -7.524 5.290 1.00 0.42 C ATOM 568 OE1 GLU A 35 9.874 -6.631 5.676 1.00 1.06 O ATOM 569 OE2 GLU A 35 9.058 -8.661 5.805 1.00 1.11 O ATOM 0 H GLU A 35 7.944 -3.603 2.472 1.00 0.15 H new ATOM 0 HA GLU A 35 7.075 -6.337 1.963 1.00 0.15 H new ATOM 0 HB2 GLU A 35 9.153 -5.583 3.275 1.00 0.21 H new ATOM 0 HB3 GLU A 35 8.038 -5.118 4.544 1.00 0.21 H new ATOM 0 HG2 GLU A 35 7.103 -7.442 4.510 1.00 0.27 H new ATOM 0 HG3 GLU A 35 8.321 -7.881 3.329 1.00 0.27 H new ATOM 576 N ILE A 36 4.753 -5.860 2.623 1.00 0.11 N ATOM 577 CA ILE A 36 3.379 -5.666 3.028 1.00 0.10 C ATOM 578 C ILE A 36 2.889 -6.744 4.002 1.00 0.10 C ATOM 579 O ILE A 36 3.123 -7.943 3.827 1.00 0.11 O ATOM 580 CB ILE A 36 2.459 -5.633 1.800 1.00 0.10 C ATOM 581 CG1 ILE A 36 2.837 -4.472 0.883 1.00 0.12 C ATOM 582 CG2 ILE A 36 1.002 -5.540 2.224 1.00 0.11 C ATOM 583 CD1 ILE A 36 3.398 -4.921 -0.444 1.00 0.11 C ATOM 0 H ILE A 36 4.870 -6.433 1.787 1.00 0.11 H new ATOM 0 HA ILE A 36 3.342 -4.710 3.550 1.00 0.10 H new ATOM 0 HB ILE A 36 2.588 -6.562 1.244 1.00 0.10 H new ATOM 0 HG12 ILE A 36 1.956 -3.854 0.708 1.00 0.12 H new ATOM 0 HG13 ILE A 36 3.572 -3.844 1.387 1.00 0.12 H new ATOM 0 HG21 ILE A 36 0.366 -5.518 1.339 1.00 0.11 H new ATOM 0 HG22 ILE A 36 0.745 -6.406 2.834 1.00 0.11 H new ATOM 0 HG23 ILE A 36 0.849 -4.630 2.803 1.00 0.11 H new ATOM 0 HD11 ILE A 36 3.646 -4.048 -1.048 1.00 0.11 H new ATOM 0 HD12 ILE A 36 4.297 -5.514 -0.277 1.00 0.11 H new ATOM 0 HD13 ILE A 36 2.657 -5.525 -0.967 1.00 0.11 H new ATOM 595 N TYR A 37 2.197 -6.275 5.021 1.00 0.11 N ATOM 596 CA TYR A 37 1.530 -7.110 6.011 1.00 0.14 C ATOM 597 C TYR A 37 0.101 -6.612 6.143 1.00 0.14 C ATOM 598 O TYR A 37 -0.299 -5.696 5.434 1.00 0.13 O ATOM 599 CB TYR A 37 2.174 -7.012 7.396 1.00 0.20 C ATOM 600 CG TYR A 37 3.641 -7.332 7.492 1.00 0.40 C ATOM 601 CD1 TYR A 37 4.080 -8.639 7.651 1.00 1.39 C ATOM 602 CD2 TYR A 37 4.584 -6.319 7.489 1.00 1.18 C ATOM 603 CE1 TYR A 37 5.423 -8.925 7.805 1.00 1.54 C ATOM 604 CE2 TYR A 37 5.924 -6.599 7.630 1.00 1.25 C ATOM 605 CZ TYR A 37 6.342 -7.900 7.791 1.00 0.87 C ATOM 606 OH TYR A 37 7.680 -8.169 7.974 1.00 1.11 O ATOM 0 H TYR A 37 2.077 -5.276 5.192 1.00 0.11 H new ATOM 0 HA TYR A 37 1.597 -8.145 5.676 1.00 0.14 H new ATOM 0 HB2 TYR A 37 2.023 -5.999 7.769 1.00 0.20 H new ATOM 0 HB3 TYR A 37 1.637 -7.682 8.067 1.00 0.20 H new ATOM 0 HD1 TYR A 37 3.361 -9.445 7.654 1.00 1.39 H new ATOM 0 HD2 TYR A 37 4.264 -5.294 7.374 1.00 1.18 H new ATOM 0 HE1 TYR A 37 5.750 -9.946 7.936 1.00 1.54 H new ATOM 0 HE2 TYR A 37 6.648 -5.797 7.614 1.00 1.25 H new ATOM 0 HH TYR A 37 8.022 -8.668 7.203 1.00 1.11 H new ATOM 616 N VAL A 38 -0.658 -7.219 7.039 1.00 0.16 N ATOM 617 CA VAL A 38 -1.994 -6.751 7.366 1.00 0.17 C ATOM 618 C VAL A 38 -2.317 -7.016 8.835 1.00 0.20 C ATOM 619 O VAL A 38 -2.099 -8.112 9.352 1.00 0.26 O ATOM 620 CB VAL A 38 -3.087 -7.390 6.468 1.00 0.18 C ATOM 621 CG1 VAL A 38 -4.457 -7.303 7.129 1.00 0.21 C ATOM 622 CG2 VAL A 38 -3.129 -6.734 5.096 1.00 0.21 C ATOM 0 H VAL A 38 -0.367 -8.047 7.559 1.00 0.16 H new ATOM 0 HA VAL A 38 -1.999 -5.677 7.179 1.00 0.17 H new ATOM 0 HB VAL A 38 -2.827 -8.441 6.339 1.00 0.18 H new ATOM 0 HG11 VAL A 38 -5.204 -7.758 6.479 1.00 0.21 H new ATOM 0 HG12 VAL A 38 -4.435 -7.831 8.082 1.00 0.21 H new ATOM 0 HG13 VAL A 38 -4.713 -6.257 7.300 1.00 0.21 H new ATOM 0 HG21 VAL A 38 -3.905 -7.204 4.491 1.00 0.21 H new ATOM 0 HG22 VAL A 38 -3.349 -5.672 5.207 1.00 0.21 H new ATOM 0 HG23 VAL A 38 -2.163 -6.855 4.605 1.00 0.21 H new ATOM 632 N ASP A 39 -2.845 -5.998 9.483 1.00 0.20 N ATOM 633 CA ASP A 39 -3.259 -6.078 10.870 1.00 0.23 C ATOM 634 C ASP A 39 -4.756 -6.298 10.917 1.00 0.28 C ATOM 635 O ASP A 39 -5.527 -5.343 10.789 1.00 0.35 O ATOM 636 CB ASP A 39 -2.876 -4.799 11.620 1.00 0.37 C ATOM 637 CG ASP A 39 -3.232 -4.850 13.093 1.00 0.98 C ATOM 638 OD1 ASP A 39 -2.421 -5.369 13.885 1.00 1.74 O ATOM 639 OD2 ASP A 39 -4.310 -4.353 13.470 1.00 1.60 O ATOM 0 H ASP A 39 -3.000 -5.084 9.059 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.752 -6.911 11.357 1.00 0.23 H new ATOM 0 HB2 ASP A 39 -1.804 -4.630 11.516 1.00 0.37 H new ATOM 0 HB3 ASP A 39 -3.379 -3.949 11.159 1.00 0.37 H new ATOM 644 N ASP A 40 -5.144 -7.569 11.027 1.00 0.42 N ATOM 645 CA ASP A 40 -6.547 -7.986 11.050 1.00 0.57 C ATOM 646 C ASP A 40 -7.251 -7.707 9.730 1.00 0.48 C ATOM 647 O ASP A 40 -7.644 -8.625 9.009 1.00 0.58 O ATOM 648 CB ASP A 40 -7.289 -7.308 12.197 1.00 0.73 C ATOM 649 CG ASP A 40 -7.221 -8.114 13.475 1.00 1.26 C ATOM 650 OD1 ASP A 40 -7.956 -9.116 13.595 1.00 1.73 O ATOM 651 OD2 ASP A 40 -6.424 -7.759 14.367 1.00 2.01 O ATOM 0 H ASP A 40 -4.487 -8.346 11.103 1.00 0.42 H new ATOM 0 HA ASP A 40 -6.558 -9.065 11.205 1.00 0.57 H new ATOM 0 HB2 ASP A 40 -6.863 -6.320 12.369 1.00 0.73 H new ATOM 0 HB3 ASP A 40 -8.332 -7.161 11.917 1.00 0.73 H new ATOM 656 N GLU A 41 -7.393 -6.437 9.417 1.00 0.41 N ATOM 657 CA GLU A 41 -8.141 -6.002 8.259 1.00 0.45 C ATOM 658 C GLU A 41 -7.413 -4.887 7.518 1.00 0.37 C ATOM 659 O GLU A 41 -7.877 -4.430 6.473 1.00 0.44 O ATOM 660 CB GLU A 41 -9.506 -5.493 8.717 1.00 0.65 C ATOM 661 CG GLU A 41 -9.406 -4.588 9.936 1.00 0.76 C ATOM 662 CD GLU A 41 -10.663 -3.785 10.191 1.00 1.05 C ATOM 663 OE1 GLU A 41 -10.815 -2.710 9.575 1.00 1.67 O ATOM 664 OE2 GLU A 41 -11.490 -4.205 11.024 1.00 1.40 O ATOM 0 H GLU A 41 -6.991 -5.674 9.962 1.00 0.41 H new ATOM 0 HA GLU A 41 -8.253 -6.847 7.579 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -9.981 -4.948 7.901 1.00 0.65 H new ATOM 0 HB3 GLU A 41 -10.149 -6.342 8.950 1.00 0.65 H new ATOM 0 HG2 GLU A 41 -9.187 -5.196 10.814 1.00 0.76 H new ATOM 0 HG3 GLU A 41 -8.567 -3.905 9.804 1.00 0.76 H new ATOM 671 N LYS A 42 -6.278 -4.438 8.046 1.00 0.27 N ATOM 672 CA LYS A 42 -5.618 -3.283 7.461 1.00 0.25 C ATOM 673 C LYS A 42 -4.237 -3.617 6.949 1.00 0.19 C ATOM 674 O LYS A 42 -3.553 -4.463 7.484 1.00 0.19 O ATOM 675 CB LYS A 42 -5.541 -2.123 8.462 1.00 0.30 C ATOM 676 CG LYS A 42 -4.406 -2.258 9.463 1.00 0.32 C ATOM 677 CD LYS A 42 -4.363 -1.106 10.453 1.00 0.50 C ATOM 678 CE LYS A 42 -3.015 -1.048 11.157 1.00 0.40 C ATOM 679 NZ LYS A 42 -3.054 -0.214 12.385 1.00 0.75 N ATOM 0 H LYS A 42 -5.809 -4.845 8.855 1.00 0.27 H new ATOM 0 HA LYS A 42 -6.225 -2.974 6.610 1.00 0.25 H new ATOM 0 HB2 LYS A 42 -5.422 -1.188 7.914 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -6.485 -2.057 9.003 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -4.515 -3.196 10.007 1.00 0.32 H new ATOM 0 HG3 LYS A 42 -3.458 -2.308 8.928 1.00 0.32 H new ATOM 0 HD2 LYS A 42 -4.547 -0.166 9.932 1.00 0.50 H new ATOM 0 HD3 LYS A 42 -5.158 -1.224 11.189 1.00 0.50 H new ATOM 0 HE2 LYS A 42 -2.700 -2.059 11.417 1.00 0.40 H new ATOM 0 HE3 LYS A 42 -2.267 -0.647 10.472 1.00 0.40 H new ATOM 0 HZ1 LYS A 42 -2.113 -0.205 12.829 1.00 0.75 H new ATOM 0 HZ2 LYS A 42 -3.328 0.758 12.136 1.00 0.75 H new ATOM 0 HZ3 LYS A 42 -3.748 -0.610 13.051 1.00 0.75 H new ATOM 693 N ILE A 43 -3.837 -2.901 5.931 1.00 0.15 N ATOM 694 CA ILE A 43 -2.624 -3.186 5.194 1.00 0.12 C ATOM 695 C ILE A 43 -1.445 -2.396 5.762 1.00 0.11 C ATOM 696 O ILE A 43 -1.582 -1.227 6.118 1.00 0.12 O ATOM 697 CB ILE A 43 -2.839 -2.813 3.718 1.00 0.10 C ATOM 698 CG1 ILE A 43 -4.172 -3.383 3.233 1.00 0.14 C ATOM 699 CG2 ILE A 43 -1.702 -3.327 2.863 1.00 0.10 C ATOM 700 CD1 ILE A 43 -4.649 -2.796 1.924 1.00 0.16 C ATOM 0 H ILE A 43 -4.349 -2.091 5.582 1.00 0.15 H new ATOM 0 HA ILE A 43 -2.395 -4.248 5.282 1.00 0.12 H new ATOM 0 HB ILE A 43 -2.861 -1.727 3.630 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.075 -4.463 3.122 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -4.930 -3.208 3.996 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.876 -3.051 1.823 1.00 0.10 H new ATOM 0 HG22 ILE A 43 -0.764 -2.888 3.203 1.00 0.10 H new ATOM 0 HG23 ILE A 43 -1.646 -4.412 2.946 1.00 0.10 H new ATOM 0 HD11 ILE A 43 -5.600 -3.251 1.647 1.00 0.16 H new ATOM 0 HD12 ILE A 43 -4.780 -1.719 2.034 1.00 0.16 H new ATOM 0 HD13 ILE A 43 -3.912 -2.994 1.146 1.00 0.16 H new ATOM 712 N ILE A 44 -0.295 -3.046 5.858 1.00 0.12 N ATOM 713 CA ILE A 44 0.901 -2.428 6.425 1.00 0.12 C ATOM 714 C ILE A 44 2.038 -2.508 5.420 1.00 0.11 C ATOM 715 O ILE A 44 2.583 -3.583 5.187 1.00 0.11 O ATOM 716 CB ILE A 44 1.382 -3.114 7.736 1.00 0.15 C ATOM 717 CG1 ILE A 44 0.296 -4.009 8.354 1.00 0.16 C ATOM 718 CG2 ILE A 44 1.846 -2.064 8.742 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.917 -3.279 8.884 1.00 0.18 C ATOM 0 H ILE A 44 -0.161 -4.009 5.549 1.00 0.12 H new ATOM 0 HA ILE A 44 0.633 -1.397 6.658 1.00 0.12 H new ATOM 0 HB ILE A 44 2.222 -3.759 7.478 1.00 0.15 H new ATOM 0 HG12 ILE A 44 -0.032 -4.727 7.602 1.00 0.16 H new ATOM 0 HG13 ILE A 44 0.740 -4.581 9.168 1.00 0.16 H new ATOM 0 HG21 ILE A 44 2.180 -2.557 9.655 1.00 0.19 H new ATOM 0 HG22 ILE A 44 2.670 -1.492 8.316 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.020 -1.392 8.974 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.623 -3.999 9.298 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.610 -2.582 9.664 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.394 -2.729 8.073 1.00 0.18 H new ATOM 731 N LEU A 45 2.383 -1.389 4.812 1.00 0.11 N ATOM 732 CA LEU A 45 3.467 -1.363 3.845 1.00 0.10 C ATOM 733 C LEU A 45 4.748 -0.867 4.490 1.00 0.11 C ATOM 734 O LEU A 45 4.847 0.286 4.886 1.00 0.13 O ATOM 735 CB LEU A 45 3.127 -0.459 2.648 1.00 0.10 C ATOM 736 CG LEU A 45 2.363 -1.126 1.506 1.00 0.09 C ATOM 737 CD1 LEU A 45 0.990 -1.573 1.963 1.00 0.09 C ATOM 738 CD2 LEU A 45 2.242 -0.176 0.325 1.00 0.10 C ATOM 0 H LEU A 45 1.931 -0.488 4.969 1.00 0.11 H new ATOM 0 HA LEU A 45 3.607 -2.384 3.489 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.539 0.384 3.010 1.00 0.10 H new ATOM 0 HB3 LEU A 45 4.056 -0.052 2.249 1.00 0.10 H new ATOM 0 HG LEU A 45 2.922 -2.008 1.192 1.00 0.09 H new ATOM 0 HD11 LEU A 45 0.466 -2.045 1.132 1.00 0.09 H new ATOM 0 HD12 LEU A 45 1.093 -2.288 2.780 1.00 0.09 H new ATOM 0 HD13 LEU A 45 0.422 -0.709 2.307 1.00 0.09 H new ATOM 0 HD21 LEU A 45 1.695 -0.665 -0.481 1.00 0.10 H new ATOM 0 HD22 LEU A 45 1.707 0.722 0.634 1.00 0.10 H new ATOM 0 HD23 LEU A 45 3.237 0.097 -0.025 1.00 0.10 H new ATOM 750 N LYS A 46 5.715 -1.740 4.622 1.00 0.12 N ATOM 751 CA LYS A 46 7.052 -1.311 4.977 1.00 0.14 C ATOM 752 C LYS A 46 7.872 -1.282 3.726 1.00 0.19 C ATOM 753 O LYS A 46 7.467 -1.814 2.707 1.00 0.45 O ATOM 754 CB LYS A 46 7.734 -2.269 5.945 1.00 0.29 C ATOM 755 CG LYS A 46 7.009 -2.534 7.244 1.00 0.89 C ATOM 756 CD LYS A 46 7.914 -3.341 8.147 1.00 0.95 C ATOM 757 CE LYS A 46 8.394 -4.578 7.411 1.00 1.75 C ATOM 758 NZ LYS A 46 9.508 -5.271 8.103 1.00 2.11 N ATOM 0 H LYS A 46 5.607 -2.746 4.491 1.00 0.12 H new ATOM 0 HA LYS A 46 6.974 -0.336 5.457 1.00 0.14 H new ATOM 0 HB2 LYS A 46 7.884 -3.221 5.436 1.00 0.29 H new ATOM 0 HB3 LYS A 46 8.722 -1.874 6.179 1.00 0.29 H new ATOM 0 HG2 LYS A 46 6.737 -1.594 7.724 1.00 0.89 H new ATOM 0 HG3 LYS A 46 6.082 -3.076 7.056 1.00 0.89 H new ATOM 0 HD2 LYS A 46 8.766 -2.737 8.459 1.00 0.95 H new ATOM 0 HD3 LYS A 46 7.379 -3.628 9.052 1.00 0.95 H new ATOM 0 HE2 LYS A 46 7.560 -5.270 7.294 1.00 1.75 H new ATOM 0 HE3 LYS A 46 8.717 -4.295 6.409 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 9.959 -5.943 7.449 1.00 2.11 H new ATOM 0 HZ2 LYS A 46 10.210 -4.571 8.418 1.00 2.11 H new ATOM 0 HZ3 LYS A 46 9.138 -5.786 8.927 1.00 2.11 H new ATOM 772 N LYS A 47 9.005 -0.652 3.799 1.00 0.19 N ATOM 773 CA LYS A 47 10.008 -0.817 2.775 1.00 0.25 C ATOM 774 C LYS A 47 10.595 -2.211 2.946 1.00 0.24 C ATOM 775 O LYS A 47 10.697 -2.694 4.076 1.00 0.28 O ATOM 776 CB LYS A 47 11.072 0.263 2.935 1.00 0.38 C ATOM 777 CG LYS A 47 11.818 0.173 4.257 1.00 0.48 C ATOM 778 CD LYS A 47 12.845 1.272 4.394 1.00 0.83 C ATOM 779 CE LYS A 47 12.181 2.629 4.583 1.00 1.57 C ATOM 780 NZ LYS A 47 13.173 3.707 4.840 1.00 2.48 N ATOM 0 H LYS A 47 9.264 -0.017 4.554 1.00 0.19 H new ATOM 0 HA LYS A 47 9.589 -0.717 1.774 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.786 0.185 2.115 1.00 0.38 H new ATOM 0 HB3 LYS A 47 10.601 1.243 2.856 1.00 0.38 H new ATOM 0 HG2 LYS A 47 11.107 0.234 5.081 1.00 0.48 H new ATOM 0 HG3 LYS A 47 12.310 -0.797 4.332 1.00 0.48 H new ATOM 0 HD2 LYS A 47 13.495 1.061 5.243 1.00 0.83 H new ATOM 0 HD3 LYS A 47 13.477 1.295 3.506 1.00 0.83 H new ATOM 0 HE2 LYS A 47 11.601 2.875 3.693 1.00 1.57 H new ATOM 0 HE3 LYS A 47 11.480 2.576 5.416 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 12.928 4.546 4.276 1.00 2.48 H new ATOM 0 HZ2 LYS A 47 13.163 3.954 5.850 1.00 2.48 H new ATOM 0 HZ3 LYS A 47 14.122 3.376 4.574 1.00 2.48 H new ATOM 794 N TYR A 48 10.929 -2.881 1.856 1.00 0.26 N ATOM 795 CA TYR A 48 11.353 -4.267 1.956 1.00 0.33 C ATOM 796 C TYR A 48 12.625 -4.391 2.785 1.00 0.48 C ATOM 797 O TYR A 48 13.448 -3.474 2.817 1.00 0.58 O ATOM 798 CB TYR A 48 11.524 -4.897 0.567 1.00 0.35 C ATOM 799 CG TYR A 48 12.884 -4.692 -0.073 1.00 0.88 C ATOM 800 CD1 TYR A 48 13.198 -3.517 -0.740 1.00 1.81 C ATOM 801 CD2 TYR A 48 13.850 -5.689 -0.013 1.00 1.68 C ATOM 802 CE1 TYR A 48 14.435 -3.338 -1.328 1.00 2.49 C ATOM 803 CE2 TYR A 48 15.088 -5.518 -0.600 1.00 2.32 C ATOM 804 CZ TYR A 48 15.376 -4.342 -1.256 1.00 2.51 C ATOM 805 OH TYR A 48 16.608 -4.172 -1.845 1.00 3.33 O ATOM 0 H TYR A 48 10.916 -2.498 0.911 1.00 0.26 H new ATOM 0 HA TYR A 48 10.568 -4.821 2.471 1.00 0.33 H new ATOM 0 HB2 TYR A 48 11.335 -5.968 0.646 1.00 0.35 H new ATOM 0 HB3 TYR A 48 10.763 -4.487 -0.096 1.00 0.35 H new ATOM 0 HD1 TYR A 48 12.463 -2.728 -0.801 1.00 1.81 H new ATOM 0 HD2 TYR A 48 13.629 -6.613 0.501 1.00 1.68 H new ATOM 0 HE1 TYR A 48 14.663 -2.416 -1.842 1.00 2.49 H new ATOM 0 HE2 TYR A 48 15.827 -6.303 -0.545 1.00 2.32 H new ATOM 0 HH TYR A 48 17.153 -4.974 -1.701 1.00 3.33 H new ATOM 939 N SER B 3 -2.158 -10.514 7.420 1.00 0.29 N ATOM 940 CA SER B 3 -0.777 -10.246 7.054 1.00 0.22 C ATOM 941 C SER B 3 -0.146 -11.407 6.337 1.00 0.24 C ATOM 942 O SER B 3 -0.245 -12.560 6.763 1.00 0.40 O ATOM 943 CB SER B 3 0.013 -9.953 8.325 1.00 0.28 C ATOM 944 OG SER B 3 0.169 -11.123 9.111 1.00 1.17 O ATOM 0 HA SER B 3 -0.763 -9.393 6.375 1.00 0.22 H new ATOM 0 HB2 SER B 3 0.993 -9.554 8.064 1.00 0.28 H new ATOM 0 HB3 SER B 3 -0.499 -9.186 8.906 1.00 0.28 H new ATOM 0 HG SER B 3 -0.545 -11.759 8.897 1.00 1.17 H new ATOM 950 N THR B 4 0.527 -11.089 5.264 1.00 0.20 N ATOM 951 CA THR B 4 1.216 -12.090 4.513 1.00 0.22 C ATOM 952 C THR B 4 2.711 -12.006 4.772 1.00 0.23 C ATOM 953 O THR B 4 3.400 -13.022 4.861 1.00 0.28 O ATOM 954 CB THR B 4 0.941 -11.925 3.017 1.00 0.23 C ATOM 955 OG1 THR B 4 1.090 -10.542 2.660 1.00 0.24 O ATOM 956 CG2 THR B 4 -0.456 -12.410 2.668 1.00 0.22 C ATOM 0 H THR B 4 0.610 -10.142 4.894 1.00 0.20 H new ATOM 0 HA THR B 4 0.852 -13.067 4.831 1.00 0.22 H new ATOM 0 HB THR B 4 1.655 -12.527 2.456 1.00 0.23 H new ATOM 0 HG1 THR B 4 0.901 -10.428 1.705 1.00 0.24 H new ATOM 0 HG21 THR B 4 -0.629 -12.283 1.599 1.00 0.22 H new ATOM 0 HG22 THR B 4 -0.551 -13.464 2.928 1.00 0.22 H new ATOM 0 HG23 THR B 4 -1.192 -11.831 3.226 1.00 0.22 H new ATOM 964 N GLY B 5 3.197 -10.778 4.915 1.00 0.20 N ATOM 965 CA GLY B 5 4.623 -10.553 5.013 1.00 0.21 C ATOM 966 C GLY B 5 5.241 -10.656 3.643 1.00 0.19 C ATOM 967 O GLY B 5 6.264 -11.311 3.439 1.00 0.29 O ATOM 0 H GLY B 5 2.626 -9.934 4.965 1.00 0.20 H new ATOM 0 HA2 GLY B 5 4.819 -9.569 5.439 1.00 0.21 H new ATOM 0 HA3 GLY B 5 5.073 -11.286 5.683 1.00 0.21 H new ATOM 971 N ILE B 6 4.588 -9.999 2.704 1.00 0.12 N ATOM 972 CA ILE B 6 4.852 -10.168 1.291 1.00 0.12 C ATOM 973 C ILE B 6 5.291 -8.842 0.682 1.00 0.11 C ATOM 974 O ILE B 6 4.605 -7.833 0.825 1.00 0.11 O ATOM 975 CB ILE B 6 3.575 -10.723 0.590 1.00 0.13 C ATOM 976 CG1 ILE B 6 3.724 -12.222 0.301 1.00 0.17 C ATOM 977 CG2 ILE B 6 3.256 -9.976 -0.701 1.00 0.16 C ATOM 978 CD1 ILE B 6 3.935 -13.075 1.533 1.00 0.20 C ATOM 0 H ILE B 6 3.850 -9.324 2.905 1.00 0.12 H new ATOM 0 HA ILE B 6 5.661 -10.884 1.147 1.00 0.12 H new ATOM 0 HB ILE B 6 2.744 -10.568 1.278 1.00 0.13 H new ATOM 0 HG12 ILE B 6 2.832 -12.570 -0.220 1.00 0.17 H new ATOM 0 HG13 ILE B 6 4.566 -12.368 -0.376 1.00 0.17 H new ATOM 0 HG21 ILE B 6 2.359 -10.398 -1.153 1.00 0.16 H new ATOM 0 HG22 ILE B 6 3.089 -8.922 -0.480 1.00 0.16 H new ATOM 0 HG23 ILE B 6 4.092 -10.074 -1.394 1.00 0.16 H new ATOM 0 HD11 ILE B 6 4.031 -14.120 1.240 1.00 0.20 H new ATOM 0 HD12 ILE B 6 4.844 -12.757 2.044 1.00 0.20 H new ATOM 0 HD13 ILE B 6 3.083 -12.963 2.204 1.00 0.20 H new ATOM 990 N VAL B 7 6.447 -8.829 0.038 1.00 0.13 N ATOM 991 CA VAL B 7 6.936 -7.599 -0.561 1.00 0.12 C ATOM 992 C VAL B 7 6.504 -7.505 -2.023 1.00 0.13 C ATOM 993 O VAL B 7 6.338 -8.523 -2.697 1.00 0.17 O ATOM 994 CB VAL B 7 8.475 -7.447 -0.465 1.00 0.15 C ATOM 995 CG1 VAL B 7 8.990 -7.884 0.896 1.00 0.20 C ATOM 996 CG2 VAL B 7 9.198 -8.187 -1.581 1.00 0.18 C ATOM 0 H VAL B 7 7.054 -9.640 -0.082 1.00 0.13 H new ATOM 0 HA VAL B 7 6.493 -6.784 0.012 1.00 0.12 H new ATOM 0 HB VAL B 7 8.693 -6.386 -0.587 1.00 0.15 H new ATOM 0 HG11 VAL B 7 10.073 -7.765 0.931 1.00 0.20 H new ATOM 0 HG12 VAL B 7 8.533 -7.271 1.672 1.00 0.20 H new ATOM 0 HG13 VAL B 7 8.735 -8.930 1.063 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.274 -8.051 -1.471 1.00 0.18 H new ATOM 0 HG22 VAL B 7 8.960 -9.249 -1.527 1.00 0.18 H new ATOM 0 HG23 VAL B 7 8.879 -7.792 -2.546 1.00 0.18 H new ATOM 1006 N ARG B 8 6.306 -6.283 -2.497 1.00 0.12 N ATOM 1007 CA ARG B 8 5.944 -6.034 -3.888 1.00 0.13 C ATOM 1008 C ARG B 8 6.677 -4.818 -4.427 1.00 0.14 C ATOM 1009 O ARG B 8 7.106 -3.959 -3.662 1.00 0.14 O ATOM 1010 CB ARG B 8 4.433 -5.823 -4.026 1.00 0.13 C ATOM 1011 CG ARG B 8 3.638 -7.102 -3.902 1.00 0.15 C ATOM 1012 CD ARG B 8 4.042 -8.054 -5.001 1.00 0.21 C ATOM 1013 NE ARG B 8 3.243 -9.277 -5.010 1.00 0.27 N ATOM 1014 CZ ARG B 8 2.379 -9.585 -5.977 1.00 0.90 C ATOM 1015 NH1 ARG B 8 2.197 -8.753 -6.995 1.00 1.94 N ATOM 1016 NH2 ARG B 8 1.691 -10.717 -5.927 1.00 0.79 N ATOM 0 H ARG B 8 6.391 -5.438 -1.932 1.00 0.12 H new ATOM 0 HA ARG B 8 6.235 -6.910 -4.468 1.00 0.13 H new ATOM 0 HB2 ARG B 8 4.100 -5.121 -3.262 1.00 0.13 H new ATOM 0 HB3 ARG B 8 4.224 -5.365 -4.993 1.00 0.13 H new ATOM 0 HG2 ARG B 8 3.813 -7.559 -2.928 1.00 0.15 H new ATOM 0 HG3 ARG B 8 2.571 -6.887 -3.966 1.00 0.15 H new ATOM 0 HD2 ARG B 8 3.943 -7.553 -5.964 1.00 0.21 H new ATOM 0 HD3 ARG B 8 5.094 -8.313 -4.883 1.00 0.21 H new ATOM 0 HE ARG B 8 3.352 -9.930 -4.234 1.00 0.27 H new ATOM 0 HH11 ARG B 8 2.718 -7.877 -7.038 1.00 1.94 H new ATOM 0 HH12 ARG B 8 1.536 -8.989 -7.735 1.00 1.94 H new ATOM 0 HH21 ARG B 8 1.821 -11.359 -5.145 1.00 0.79 H new ATOM 0 HH22 ARG B 8 1.031 -10.946 -6.671 1.00 0.79 H new ATOM 1030 N LYS B 9 6.818 -4.764 -5.742 1.00 0.15 N ATOM 1031 CA LYS B 9 7.397 -3.606 -6.408 1.00 0.15 C ATOM 1032 C LYS B 9 6.373 -2.487 -6.497 1.00 0.15 C ATOM 1033 O LYS B 9 5.164 -2.733 -6.517 1.00 0.19 O ATOM 1034 CB LYS B 9 7.832 -3.977 -7.827 1.00 0.17 C ATOM 1035 CG LYS B 9 8.952 -4.993 -7.885 1.00 0.25 C ATOM 1036 CD LYS B 9 10.303 -4.344 -7.629 1.00 0.37 C ATOM 1037 CE LYS B 9 10.891 -4.778 -6.302 1.00 0.44 C ATOM 1038 NZ LYS B 9 11.241 -6.226 -6.294 1.00 1.37 N ATOM 0 H LYS B 9 6.537 -5.514 -6.374 1.00 0.15 H new ATOM 0 HA LYS B 9 8.259 -3.276 -5.829 1.00 0.15 H new ATOM 0 HB2 LYS B 9 6.971 -4.370 -8.368 1.00 0.17 H new ATOM 0 HB3 LYS B 9 8.149 -3.073 -8.346 1.00 0.17 H new ATOM 0 HG2 LYS B 9 8.776 -5.774 -7.145 1.00 0.25 H new ATOM 0 HG3 LYS B 9 8.958 -5.475 -8.862 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.990 -4.604 -8.434 1.00 0.37 H new ATOM 0 HD3 LYS B 9 10.194 -3.260 -7.641 1.00 0.37 H new ATOM 0 HE2 LYS B 9 11.783 -4.188 -6.090 1.00 0.44 H new ATOM 0 HE3 LYS B 9 10.177 -4.573 -5.505 1.00 0.44 H new ATOM 0 HZ1 LYS B 9 11.941 -6.410 -5.547 1.00 1.37 H new ATOM 0 HZ2 LYS B 9 10.385 -6.789 -6.113 1.00 1.37 H new ATOM 0 HZ3 LYS B 9 11.641 -6.491 -7.216 1.00 1.37 H new ATOM 1052 N VAL B 10 6.869 -1.266 -6.566 1.00 0.14 N ATOM 1053 CA VAL B 10 6.015 -0.085 -6.601 1.00 0.15 C ATOM 1054 C VAL B 10 5.790 0.374 -8.052 1.00 0.18 C ATOM 1055 O VAL B 10 5.347 1.498 -8.312 1.00 0.21 O ATOM 1056 CB VAL B 10 6.642 1.045 -5.749 1.00 0.18 C ATOM 1057 CG1 VAL B 10 5.691 2.216 -5.574 1.00 0.22 C ATOM 1058 CG2 VAL B 10 7.074 0.503 -4.395 1.00 0.19 C ATOM 0 H VAL B 10 7.868 -1.061 -6.599 1.00 0.14 H new ATOM 0 HA VAL B 10 5.043 -0.336 -6.177 1.00 0.15 H new ATOM 0 HB VAL B 10 7.518 1.415 -6.282 1.00 0.18 H new ATOM 0 HG11 VAL B 10 6.170 2.987 -4.970 1.00 0.22 H new ATOM 0 HG12 VAL B 10 5.436 2.627 -6.551 1.00 0.22 H new ATOM 0 HG13 VAL B 10 4.783 1.876 -5.075 1.00 0.22 H new ATOM 0 HG21 VAL B 10 7.514 1.307 -3.805 1.00 0.19 H new ATOM 0 HG22 VAL B 10 6.207 0.100 -3.871 1.00 0.19 H new ATOM 0 HG23 VAL B 10 7.811 -0.287 -4.538 1.00 0.19 H new ATOM 1068 N ASP B 11 6.103 -0.518 -8.995 1.00 0.21 N ATOM 1069 CA ASP B 11 5.862 -0.286 -10.415 1.00 0.30 C ATOM 1070 C ASP B 11 6.781 0.823 -10.922 1.00 0.38 C ATOM 1071 O ASP B 11 7.918 0.957 -10.482 1.00 0.66 O ATOM 1072 CB ASP B 11 4.385 0.089 -10.646 1.00 0.33 C ATOM 1073 CG ASP B 11 3.934 -0.006 -12.092 1.00 0.35 C ATOM 1074 OD1 ASP B 11 3.731 -1.131 -12.593 1.00 1.17 O ATOM 1075 OD2 ASP B 11 3.762 1.060 -12.723 1.00 1.11 O ATOM 0 H ASP B 11 6.531 -1.421 -8.792 1.00 0.21 H new ATOM 0 HA ASP B 11 6.078 -1.200 -10.969 1.00 0.30 H new ATOM 0 HB2 ASP B 11 3.758 -0.563 -10.039 1.00 0.33 H new ATOM 0 HB3 ASP B 11 4.222 1.107 -10.293 1.00 0.33 H new ATOM 1080 N GLU B 12 6.287 1.582 -11.866 1.00 0.30 N ATOM 1081 CA GLU B 12 6.982 2.740 -12.395 1.00 0.31 C ATOM 1082 C GLU B 12 6.137 3.963 -12.151 1.00 0.25 C ATOM 1083 O GLU B 12 6.617 5.012 -11.724 1.00 0.28 O ATOM 1084 CB GLU B 12 7.190 2.605 -13.898 1.00 0.41 C ATOM 1085 CG GLU B 12 6.548 1.376 -14.500 1.00 0.51 C ATOM 1086 CD GLU B 12 7.491 0.190 -14.540 1.00 1.03 C ATOM 1087 OE1 GLU B 12 7.766 -0.404 -13.478 1.00 2.09 O ATOM 1088 OE2 GLU B 12 7.988 -0.137 -15.639 1.00 1.00 O ATOM 0 H GLU B 12 5.378 1.416 -12.299 1.00 0.30 H new ATOM 0 HA GLU B 12 7.951 2.821 -11.902 1.00 0.31 H new ATOM 0 HB2 GLU B 12 6.788 3.490 -14.391 1.00 0.41 H new ATOM 0 HB3 GLU B 12 8.260 2.582 -14.106 1.00 0.41 H new ATOM 0 HG2 GLU B 12 5.662 1.113 -13.922 1.00 0.51 H new ATOM 0 HG3 GLU B 12 6.212 1.604 -15.512 1.00 0.51 H new ATOM 1095 N LEU B 13 4.859 3.800 -12.441 1.00 0.24 N ATOM 1096 CA LEU B 13 3.892 4.874 -12.314 1.00 0.24 C ATOM 1097 C LEU B 13 3.724 5.278 -10.855 1.00 0.23 C ATOM 1098 O LEU B 13 3.404 6.428 -10.552 1.00 0.32 O ATOM 1099 CB LEU B 13 2.550 4.453 -12.924 1.00 0.32 C ATOM 1100 CG LEU B 13 2.505 4.396 -14.462 1.00 0.42 C ATOM 1101 CD1 LEU B 13 2.903 5.736 -15.056 1.00 0.49 C ATOM 1102 CD2 LEU B 13 3.394 3.284 -15.011 1.00 0.40 C ATOM 0 H LEU B 13 4.463 2.920 -12.771 1.00 0.24 H new ATOM 0 HA LEU B 13 4.261 5.742 -12.861 1.00 0.24 H new ATOM 0 HB2 LEU B 13 2.287 3.470 -12.534 1.00 0.32 H new ATOM 0 HB3 LEU B 13 1.782 5.147 -12.582 1.00 0.32 H new ATOM 0 HG LEU B 13 1.479 4.172 -14.753 1.00 0.42 H new ATOM 0 HD11 LEU B 13 2.866 5.677 -16.144 1.00 0.49 H new ATOM 0 HD12 LEU B 13 2.214 6.506 -14.710 1.00 0.49 H new ATOM 0 HD13 LEU B 13 3.916 5.987 -14.741 1.00 0.49 H new ATOM 0 HD21 LEU B 13 3.336 3.276 -16.099 1.00 0.40 H new ATOM 0 HD22 LEU B 13 4.425 3.458 -14.704 1.00 0.40 H new ATOM 0 HD23 LEU B 13 3.057 2.323 -14.622 1.00 0.40 H new ATOM 1114 N GLY B 14 3.938 4.325 -9.956 1.00 0.17 N ATOM 1115 CA GLY B 14 3.924 4.632 -8.538 1.00 0.15 C ATOM 1116 C GLY B 14 2.936 3.784 -7.806 1.00 0.14 C ATOM 1117 O GLY B 14 2.763 3.907 -6.607 1.00 0.15 O ATOM 0 H GLY B 14 4.121 3.347 -10.182 1.00 0.17 H new ATOM 0 HA2 GLY B 14 4.919 4.476 -8.121 1.00 0.15 H new ATOM 0 HA3 GLY B 14 3.679 5.684 -8.395 1.00 0.15 H new ATOM 1121 N ARG B 15 2.269 2.930 -8.536 1.00 0.16 N ATOM 1122 CA ARG B 15 1.301 2.051 -7.948 1.00 0.14 C ATOM 1123 C ARG B 15 1.915 0.709 -7.558 1.00 0.16 C ATOM 1124 O ARG B 15 2.432 -0.017 -8.402 1.00 0.20 O ATOM 1125 CB ARG B 15 0.119 1.884 -8.897 1.00 0.16 C ATOM 1126 CG ARG B 15 0.500 1.696 -10.351 1.00 0.25 C ATOM 1127 CD ARG B 15 -0.489 2.406 -11.253 1.00 0.48 C ATOM 1128 NE ARG B 15 -0.118 2.327 -12.667 1.00 0.87 N ATOM 1129 CZ ARG B 15 -0.848 2.854 -13.651 1.00 1.14 C ATOM 1130 NH1 ARG B 15 -1.991 3.467 -13.378 1.00 1.00 N ATOM 1131 NH2 ARG B 15 -0.448 2.743 -14.910 1.00 1.72 N ATOM 0 H ARG B 15 2.381 2.826 -9.544 1.00 0.16 H new ATOM 0 HA ARG B 15 0.941 2.499 -7.022 1.00 0.14 H new ATOM 0 HB2 ARG B 15 -0.470 1.025 -8.575 1.00 0.16 H new ATOM 0 HB3 ARG B 15 -0.524 2.760 -8.814 1.00 0.16 H new ATOM 0 HG2 ARG B 15 1.503 2.085 -10.524 1.00 0.25 H new ATOM 0 HG3 ARG B 15 0.524 0.633 -10.593 1.00 0.25 H new ATOM 0 HD2 ARG B 15 -1.478 1.970 -11.116 1.00 0.48 H new ATOM 0 HD3 ARG B 15 -0.558 3.453 -10.957 1.00 0.48 H new ATOM 0 HE ARG B 15 0.745 1.843 -12.913 1.00 0.87 H new ATOM 0 HH11 ARG B 15 -2.315 3.537 -12.413 1.00 1.00 H new ATOM 0 HH12 ARG B 15 -2.547 3.869 -14.133 1.00 1.00 H new ATOM 0 HH21 ARG B 15 0.420 2.254 -15.128 1.00 1.72 H new ATOM 0 HH22 ARG B 15 -1.008 3.147 -15.661 1.00 1.72 H new ATOM 1145 N VAL B 16 1.821 0.374 -6.275 1.00 0.14 N ATOM 1146 CA VAL B 16 2.355 -0.886 -5.777 1.00 0.14 C ATOM 1147 C VAL B 16 1.333 -1.965 -6.038 1.00 0.12 C ATOM 1148 O VAL B 16 0.156 -1.799 -5.718 1.00 0.11 O ATOM 1149 CB VAL B 16 2.676 -0.855 -4.256 1.00 0.16 C ATOM 1150 CG1 VAL B 16 1.421 -0.800 -3.399 1.00 0.15 C ATOM 1151 CG2 VAL B 16 3.535 -2.050 -3.869 1.00 0.17 C ATOM 0 H VAL B 16 1.381 0.957 -5.563 1.00 0.14 H new ATOM 0 HA VAL B 16 3.294 -1.077 -6.296 1.00 0.14 H new ATOM 0 HB VAL B 16 3.233 0.062 -4.065 1.00 0.16 H new ATOM 0 HG11 VAL B 16 1.700 -0.780 -2.346 1.00 0.15 H new ATOM 0 HG12 VAL B 16 0.854 0.099 -3.641 1.00 0.15 H new ATOM 0 HG13 VAL B 16 0.808 -1.679 -3.595 1.00 0.15 H new ATOM 0 HG21 VAL B 16 3.750 -2.013 -2.801 1.00 0.17 H new ATOM 0 HG22 VAL B 16 3.001 -2.972 -4.100 1.00 0.17 H new ATOM 0 HG23 VAL B 16 4.470 -2.023 -4.429 1.00 0.17 H new ATOM 1161 N VAL B 17 1.750 -3.052 -6.647 1.00 0.11 N ATOM 1162 CA VAL B 17 0.803 -4.088 -6.982 1.00 0.10 C ATOM 1163 C VAL B 17 0.445 -4.851 -5.733 1.00 0.10 C ATOM 1164 O VAL B 17 1.070 -5.860 -5.401 1.00 0.10 O ATOM 1165 CB VAL B 17 1.330 -5.060 -8.056 1.00 0.10 C ATOM 1166 CG1 VAL B 17 0.199 -5.928 -8.591 1.00 0.14 C ATOM 1167 CG2 VAL B 17 2.006 -4.300 -9.188 1.00 0.12 C ATOM 0 H VAL B 17 2.716 -3.239 -6.915 1.00 0.11 H new ATOM 0 HA VAL B 17 -0.077 -3.603 -7.404 1.00 0.10 H new ATOM 0 HB VAL B 17 2.073 -5.710 -7.594 1.00 0.10 H new ATOM 0 HG11 VAL B 17 0.589 -6.608 -9.348 1.00 0.14 H new ATOM 0 HG12 VAL B 17 -0.235 -6.505 -7.774 1.00 0.14 H new ATOM 0 HG13 VAL B 17 -0.568 -5.293 -9.034 1.00 0.14 H new ATOM 0 HG21 VAL B 17 2.370 -5.006 -9.934 1.00 0.12 H new ATOM 0 HG22 VAL B 17 1.289 -3.622 -9.650 1.00 0.12 H new ATOM 0 HG23 VAL B 17 2.844 -3.727 -8.792 1.00 0.12 H new ATOM 1177 N ILE B 18 -0.530 -4.322 -5.009 1.00 0.10 N ATOM 1178 CA ILE B 18 -1.025 -4.987 -3.846 1.00 0.10 C ATOM 1179 C ILE B 18 -1.786 -6.216 -4.290 1.00 0.09 C ATOM 1180 O ILE B 18 -2.798 -6.109 -4.985 1.00 0.10 O ATOM 1181 CB ILE B 18 -1.908 -4.097 -2.952 1.00 0.12 C ATOM 1182 CG1 ILE B 18 -2.679 -4.956 -1.941 1.00 0.12 C ATOM 1183 CG2 ILE B 18 -2.851 -3.226 -3.767 1.00 0.12 C ATOM 1184 CD1 ILE B 18 -3.345 -4.156 -0.846 1.00 0.16 C ATOM 0 H ILE B 18 -0.985 -3.433 -5.219 1.00 0.10 H new ATOM 0 HA ILE B 18 -0.169 -5.258 -3.228 1.00 0.10 H new ATOM 0 HB ILE B 18 -1.251 -3.421 -2.405 1.00 0.12 H new ATOM 0 HG12 ILE B 18 -3.438 -5.532 -2.471 1.00 0.12 H new ATOM 0 HG13 ILE B 18 -1.993 -5.673 -1.489 1.00 0.12 H new ATOM 0 HG21 ILE B 18 -3.454 -2.615 -3.095 1.00 0.12 H new ATOM 0 HG22 ILE B 18 -2.271 -2.578 -4.424 1.00 0.12 H new ATOM 0 HG23 ILE B 18 -3.505 -3.860 -4.367 1.00 0.12 H new ATOM 0 HD11 ILE B 18 -3.870 -4.831 -0.170 1.00 0.16 H new ATOM 0 HD12 ILE B 18 -2.589 -3.601 -0.290 1.00 0.16 H new ATOM 0 HD13 ILE B 18 -4.057 -3.458 -1.287 1.00 0.16 H new ATOM 1196 N PRO B 19 -1.295 -7.397 -3.925 1.00 0.11 N ATOM 1197 CA PRO B 19 -1.825 -8.651 -4.437 1.00 0.15 C ATOM 1198 C PRO B 19 -3.337 -8.744 -4.321 1.00 0.17 C ATOM 1199 O PRO B 19 -3.920 -8.351 -3.303 1.00 0.16 O ATOM 1200 CB PRO B 19 -1.159 -9.703 -3.562 1.00 0.19 C ATOM 1201 CG PRO B 19 0.113 -9.071 -3.118 1.00 0.17 C ATOM 1202 CD PRO B 19 -0.185 -7.604 -2.980 1.00 0.14 C ATOM 0 HA PRO B 19 -1.620 -8.767 -5.501 1.00 0.15 H new ATOM 0 HB2 PRO B 19 -1.788 -9.968 -2.712 1.00 0.19 H new ATOM 0 HB3 PRO B 19 -0.972 -10.621 -4.119 1.00 0.19 H new ATOM 0 HG2 PRO B 19 0.449 -9.493 -2.171 1.00 0.17 H new ATOM 0 HG3 PRO B 19 0.909 -9.242 -3.843 1.00 0.17 H new ATOM 0 HD2 PRO B 19 -0.470 -7.345 -1.960 1.00 0.14 H new ATOM 0 HD3 PRO B 19 0.680 -6.992 -3.234 1.00 0.14 H new ATOM 1210 N ILE B 20 -3.964 -9.280 -5.366 1.00 0.23 N ATOM 1211 CA ILE B 20 -5.412 -9.431 -5.404 1.00 0.27 C ATOM 1212 C ILE B 20 -5.884 -10.204 -4.189 1.00 0.28 C ATOM 1213 O ILE B 20 -6.964 -9.973 -3.672 1.00 0.28 O ATOM 1214 CB ILE B 20 -5.879 -10.149 -6.693 1.00 0.35 C ATOM 1215 CG1 ILE B 20 -5.337 -11.586 -6.780 1.00 0.40 C ATOM 1216 CG2 ILE B 20 -5.450 -9.348 -7.907 1.00 0.38 C ATOM 1217 CD1 ILE B 20 -6.278 -12.640 -6.217 1.00 0.43 C ATOM 0 H ILE B 20 -3.486 -9.618 -6.201 1.00 0.23 H new ATOM 0 HA ILE B 20 -5.849 -8.433 -5.398 1.00 0.27 H new ATOM 0 HB ILE B 20 -6.967 -10.216 -6.665 1.00 0.35 H new ATOM 0 HG12 ILE B 20 -5.128 -11.821 -7.824 1.00 0.40 H new ATOM 0 HG13 ILE B 20 -4.389 -11.638 -6.245 1.00 0.40 H new ATOM 0 HG21 ILE B 20 -5.780 -9.856 -8.813 1.00 0.38 H new ATOM 0 HG22 ILE B 20 -5.897 -8.355 -7.864 1.00 0.38 H new ATOM 0 HG23 ILE B 20 -4.364 -9.257 -7.917 1.00 0.38 H new ATOM 0 HD11 ILE B 20 -5.822 -13.625 -6.316 1.00 0.43 H new ATOM 0 HD12 ILE B 20 -6.468 -12.433 -5.164 1.00 0.43 H new ATOM 0 HD13 ILE B 20 -7.219 -12.619 -6.767 1.00 0.43 H new ATOM 1229 N GLU B 21 -5.018 -11.091 -3.730 1.00 0.30 N ATOM 1230 CA GLU B 21 -5.297 -11.976 -2.617 1.00 0.33 C ATOM 1231 C GLU B 21 -5.460 -11.182 -1.332 1.00 0.30 C ATOM 1232 O GLU B 21 -6.378 -11.421 -0.543 1.00 0.30 O ATOM 1233 CB GLU B 21 -4.148 -12.973 -2.482 1.00 0.38 C ATOM 1234 CG GLU B 21 -3.296 -13.071 -3.746 1.00 0.37 C ATOM 1235 CD GLU B 21 -2.170 -14.075 -3.632 1.00 0.44 C ATOM 1236 OE1 GLU B 21 -2.451 -15.287 -3.606 1.00 1.27 O ATOM 1237 OE2 GLU B 21 -0.994 -13.656 -3.575 1.00 1.06 O ATOM 0 H GLU B 21 -4.087 -11.217 -4.128 1.00 0.30 H new ATOM 0 HA GLU B 21 -6.229 -12.511 -2.802 1.00 0.33 H new ATOM 0 HB2 GLU B 21 -3.515 -12.679 -1.645 1.00 0.38 H new ATOM 0 HB3 GLU B 21 -4.553 -13.957 -2.245 1.00 0.38 H new ATOM 0 HG2 GLU B 21 -3.934 -13.345 -4.586 1.00 0.37 H new ATOM 0 HG3 GLU B 21 -2.877 -12.090 -3.971 1.00 0.37 H new ATOM 1244 N LEU B 22 -4.587 -10.213 -1.136 1.00 0.28 N ATOM 1245 CA LEU B 22 -4.638 -9.398 0.055 1.00 0.27 C ATOM 1246 C LEU B 22 -5.840 -8.484 0.030 1.00 0.23 C ATOM 1247 O LEU B 22 -6.590 -8.417 0.996 1.00 0.25 O ATOM 1248 CB LEU B 22 -3.359 -8.598 0.223 1.00 0.28 C ATOM 1249 CG LEU B 22 -2.195 -9.409 0.774 1.00 0.30 C ATOM 1250 CD1 LEU B 22 -1.502 -10.189 -0.326 1.00 0.52 C ATOM 1251 CD2 LEU B 22 -1.214 -8.506 1.503 1.00 0.41 C ATOM 0 H LEU B 22 -3.838 -9.974 -1.785 1.00 0.28 H new ATOM 0 HA LEU B 22 -4.734 -10.064 0.912 1.00 0.27 H new ATOM 0 HB2 LEU B 22 -3.074 -8.180 -0.742 1.00 0.28 H new ATOM 0 HB3 LEU B 22 -3.552 -7.758 0.890 1.00 0.28 H new ATOM 0 HG LEU B 22 -2.592 -10.130 1.489 1.00 0.30 H new ATOM 0 HD11 LEU B 22 -0.675 -10.759 0.098 1.00 0.52 H new ATOM 0 HD12 LEU B 22 -2.213 -10.872 -0.791 1.00 0.52 H new ATOM 0 HD13 LEU B 22 -1.119 -9.498 -1.077 1.00 0.52 H new ATOM 0 HD21 LEU B 22 -0.388 -9.103 1.890 1.00 0.41 H new ATOM 0 HD22 LEU B 22 -0.827 -7.757 0.813 1.00 0.41 H new ATOM 0 HD23 LEU B 22 -1.722 -8.010 2.330 1.00 0.41 H new ATOM 1263 N ARG B 23 -6.063 -7.818 -1.092 1.00 0.20 N ATOM 1264 CA ARG B 23 -7.214 -6.937 -1.210 1.00 0.19 C ATOM 1265 C ARG B 23 -8.488 -7.764 -1.250 1.00 0.20 C ATOM 1266 O ARG B 23 -9.587 -7.256 -1.045 1.00 0.21 O ATOM 1267 CB ARG B 23 -7.084 -6.015 -2.431 1.00 0.22 C ATOM 1268 CG ARG B 23 -6.890 -6.700 -3.757 1.00 0.33 C ATOM 1269 CD ARG B 23 -8.206 -6.759 -4.488 1.00 0.48 C ATOM 1270 NE ARG B 23 -8.041 -7.018 -5.915 1.00 0.71 N ATOM 1271 CZ ARG B 23 -9.034 -6.933 -6.797 1.00 0.94 C ATOM 1272 NH1 ARG B 23 -10.281 -6.770 -6.375 1.00 1.10 N ATOM 1273 NH2 ARG B 23 -8.786 -7.039 -8.094 1.00 1.20 N ATOM 0 H ARG B 23 -5.472 -7.869 -1.922 1.00 0.20 H new ATOM 0 HA ARG B 23 -7.258 -6.288 -0.336 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -7.980 -5.397 -2.491 1.00 0.22 H new ATOM 0 HB3 ARG B 23 -6.243 -5.342 -2.265 1.00 0.22 H new ATOM 0 HG2 ARG B 23 -6.154 -6.160 -4.353 1.00 0.33 H new ATOM 0 HG3 ARG B 23 -6.501 -7.707 -3.605 1.00 0.33 H new ATOM 0 HD2 ARG B 23 -8.827 -7.540 -4.050 1.00 0.48 H new ATOM 0 HD3 ARG B 23 -8.736 -5.816 -4.352 1.00 0.48 H new ATOM 0 HE ARG B 23 -7.115 -7.278 -6.254 1.00 0.71 H new ATOM 0 HH11 ARG B 23 -10.478 -6.710 -5.376 1.00 1.10 H new ATOM 0 HH12 ARG B 23 -11.043 -6.705 -7.050 1.00 1.10 H new ATOM 0 HH21 ARG B 23 -7.831 -7.186 -8.420 1.00 1.20 H new ATOM 0 HH22 ARG B 23 -9.550 -6.973 -8.766 1.00 1.20 H new ATOM 1287 N ARG B 24 -8.312 -9.051 -1.486 1.00 0.24 N ATOM 1288 CA ARG B 24 -9.377 -10.017 -1.369 1.00 0.27 C ATOM 1289 C ARG B 24 -9.618 -10.314 0.103 1.00 0.29 C ATOM 1290 O ARG B 24 -10.746 -10.557 0.533 1.00 0.33 O ATOM 1291 CB ARG B 24 -8.981 -11.289 -2.122 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.886 -12.465 -1.852 1.00 0.38 C ATOM 1293 CD ARG B 24 -9.278 -13.388 -0.811 1.00 0.65 C ATOM 1294 NE ARG B 24 -10.291 -14.142 -0.087 1.00 0.70 N ATOM 1295 CZ ARG B 24 -10.017 -15.094 0.800 1.00 1.25 C ATOM 1296 NH1 ARG B 24 -8.773 -15.532 0.957 1.00 2.11 N ATOM 1297 NH2 ARG B 24 -10.997 -15.625 1.515 1.00 1.28 N ATOM 0 H ARG B 24 -7.418 -9.454 -1.766 1.00 0.24 H new ATOM 0 HA ARG B 24 -10.297 -9.625 -1.802 1.00 0.27 H new ATOM 0 HB2 ARG B 24 -8.981 -11.081 -3.192 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.960 -11.558 -1.850 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.857 -12.110 -1.507 1.00 0.38 H new ATOM 0 HG3 ARG B 24 -10.058 -13.016 -2.776 1.00 0.38 H new ATOM 0 HD2 ARG B 24 -8.591 -14.080 -1.298 1.00 0.65 H new ATOM 0 HD3 ARG B 24 -8.691 -12.800 -0.105 1.00 0.65 H new ATOM 0 HE ARG B 24 -11.271 -13.927 -0.271 1.00 0.70 H new ATOM 0 HH11 ARG B 24 -8.019 -15.138 0.395 1.00 2.11 H new ATOM 0 HH12 ARG B 24 -8.572 -16.263 1.640 1.00 2.11 H new ATOM 0 HH21 ARG B 24 -11.956 -15.303 1.384 1.00 1.28 H new ATOM 0 HH22 ARG B 24 -10.793 -16.356 2.197 1.00 1.28 H new ATOM 1311 N THR B 25 -8.542 -10.255 0.873 1.00 0.29 N ATOM 1312 CA THR B 25 -8.592 -10.571 2.287 1.00 0.35 C ATOM 1313 C THR B 25 -9.312 -9.476 3.057 1.00 0.33 C ATOM 1314 O THR B 25 -10.101 -9.749 3.962 1.00 0.37 O ATOM 1315 CB THR B 25 -7.175 -10.766 2.862 1.00 0.41 C ATOM 1316 OG1 THR B 25 -6.505 -11.822 2.158 1.00 0.45 O ATOM 1317 CG2 THR B 25 -7.233 -11.095 4.346 1.00 0.51 C ATOM 0 H THR B 25 -7.617 -9.988 0.536 1.00 0.29 H new ATOM 0 HA THR B 25 -9.144 -11.504 2.397 1.00 0.35 H new ATOM 0 HB THR B 25 -6.622 -9.835 2.736 1.00 0.41 H new ATOM 0 HG1 THR B 25 -6.452 -11.598 1.205 1.00 0.45 H new ATOM 0 HG21 THR B 25 -6.221 -11.228 4.729 1.00 0.51 H new ATOM 0 HG22 THR B 25 -7.719 -10.279 4.881 1.00 0.51 H new ATOM 0 HG23 THR B 25 -7.800 -12.014 4.493 1.00 0.51 H new ATOM 1325 N LEU B 26 -9.052 -8.236 2.676 1.00 0.30 N ATOM 1326 CA LEU B 26 -9.640 -7.098 3.365 1.00 0.33 C ATOM 1327 C LEU B 26 -11.046 -6.824 2.852 1.00 0.32 C ATOM 1328 O LEU B 26 -11.809 -6.086 3.470 1.00 0.43 O ATOM 1329 CB LEU B 26 -8.776 -5.846 3.208 1.00 0.40 C ATOM 1330 CG LEU B 26 -7.318 -5.949 3.693 1.00 0.50 C ATOM 1331 CD1 LEU B 26 -7.101 -7.122 4.643 1.00 0.59 C ATOM 1332 CD2 LEU B 26 -6.364 -6.013 2.518 1.00 0.54 C ATOM 0 H LEU B 26 -8.441 -7.992 1.897 1.00 0.30 H new ATOM 0 HA LEU B 26 -9.692 -7.349 4.424 1.00 0.33 H new ATOM 0 HB2 LEU B 26 -8.766 -5.569 2.154 1.00 0.40 H new ATOM 0 HB3 LEU B 26 -9.257 -5.030 3.747 1.00 0.40 H new ATOM 0 HG LEU B 26 -7.106 -5.044 4.262 1.00 0.50 H new ATOM 0 HD11 LEU B 26 -6.057 -7.149 4.955 1.00 0.59 H new ATOM 0 HD12 LEU B 26 -7.739 -7.003 5.519 1.00 0.59 H new ATOM 0 HD13 LEU B 26 -7.352 -8.053 4.135 1.00 0.59 H new ATOM 0 HD21 LEU B 26 -5.340 -6.085 2.884 1.00 0.54 H new ATOM 0 HD22 LEU B 26 -6.594 -6.887 1.909 1.00 0.54 H new ATOM 0 HD23 LEU B 26 -6.470 -5.112 1.914 1.00 0.54 H new ATOM 1344 N GLY B 27 -11.381 -7.420 1.715 1.00 0.24 N ATOM 1345 CA GLY B 27 -12.706 -7.257 1.154 1.00 0.27 C ATOM 1346 C GLY B 27 -12.836 -5.996 0.326 1.00 0.33 C ATOM 1347 O GLY B 27 -13.939 -5.601 -0.050 1.00 0.52 O ATOM 0 H GLY B 27 -10.756 -8.015 1.171 1.00 0.24 H new ATOM 0 HA2 GLY B 27 -12.943 -8.121 0.533 1.00 0.27 H new ATOM 0 HA3 GLY B 27 -13.438 -7.234 1.961 1.00 0.27 H new ATOM 1351 N ILE B 28 -11.712 -5.355 0.058 1.00 0.32 N ATOM 1352 CA ILE B 28 -11.678 -4.189 -0.812 1.00 0.36 C ATOM 1353 C ILE B 28 -11.615 -4.638 -2.266 1.00 0.32 C ATOM 1354 O ILE B 28 -11.967 -5.772 -2.589 1.00 0.35 O ATOM 1355 CB ILE B 28 -10.462 -3.291 -0.491 1.00 0.42 C ATOM 1356 CG1 ILE B 28 -9.164 -4.009 -0.831 1.00 0.42 C ATOM 1357 CG2 ILE B 28 -10.478 -2.878 0.971 1.00 0.73 C ATOM 1358 CD1 ILE B 28 -7.944 -3.134 -0.693 1.00 0.50 C ATOM 0 H ILE B 28 -10.803 -5.624 0.433 1.00 0.32 H new ATOM 0 HA ILE B 28 -12.585 -3.609 -0.644 1.00 0.36 H new ATOM 0 HB ILE B 28 -10.526 -2.391 -1.103 1.00 0.42 H new ATOM 0 HG12 ILE B 28 -9.056 -4.877 -0.180 1.00 0.42 H new ATOM 0 HG13 ILE B 28 -9.221 -4.383 -1.853 1.00 0.42 H new ATOM 0 HG21 ILE B 28 -9.615 -2.246 1.180 1.00 0.73 H new ATOM 0 HG22 ILE B 28 -11.393 -2.324 1.183 1.00 0.73 H new ATOM 0 HG23 ILE B 28 -10.438 -3.767 1.601 1.00 0.73 H new ATOM 0 HD11 ILE B 28 -7.054 -3.708 -0.950 1.00 0.50 H new ATOM 0 HD12 ILE B 28 -8.031 -2.279 -1.364 1.00 0.50 H new ATOM 0 HD13 ILE B 28 -7.864 -2.781 0.335 1.00 0.50 H new ATOM 1370 N ALA B 29 -11.153 -3.766 -3.137 1.00 0.30 N ATOM 1371 CA ALA B 29 -11.113 -4.062 -4.552 1.00 0.33 C ATOM 1372 C ALA B 29 -10.107 -3.187 -5.257 1.00 0.43 C ATOM 1373 O ALA B 29 -9.505 -2.311 -4.653 1.00 0.92 O ATOM 1374 CB ALA B 29 -12.498 -3.897 -5.170 1.00 0.36 C ATOM 0 H ALA B 29 -10.799 -2.843 -2.888 1.00 0.30 H new ATOM 0 HA ALA B 29 -10.801 -5.099 -4.675 1.00 0.33 H new ATOM 0 HB1 ALA B 29 -12.450 -4.123 -6.235 1.00 0.36 H new ATOM 0 HB2 ALA B 29 -13.196 -4.579 -4.685 1.00 0.36 H new ATOM 0 HB3 ALA B 29 -12.838 -2.871 -5.032 1.00 0.36 H new ATOM 1380 N GLU B 30 -9.926 -3.449 -6.531 1.00 0.31 N ATOM 1381 CA GLU B 30 -9.043 -2.661 -7.368 1.00 0.29 C ATOM 1382 C GLU B 30 -9.686 -1.306 -7.635 1.00 0.28 C ATOM 1383 O GLU B 30 -9.042 -0.264 -7.580 1.00 0.36 O ATOM 1384 CB GLU B 30 -8.810 -3.432 -8.674 1.00 0.36 C ATOM 1385 CG GLU B 30 -10.113 -3.709 -9.423 1.00 0.47 C ATOM 1386 CD GLU B 30 -10.034 -4.845 -10.419 1.00 0.78 C ATOM 1387 OE1 GLU B 30 -10.315 -5.999 -10.026 1.00 1.44 O ATOM 1388 OE2 GLU B 30 -9.748 -4.588 -11.603 1.00 1.50 O ATOM 0 H GLU B 30 -10.387 -4.216 -7.020 1.00 0.31 H new ATOM 0 HA GLU B 30 -8.084 -2.490 -6.878 1.00 0.29 H new ATOM 0 HB2 GLU B 30 -8.139 -2.861 -9.316 1.00 0.36 H new ATOM 0 HB3 GLU B 30 -8.313 -4.376 -8.452 1.00 0.36 H new ATOM 0 HG2 GLU B 30 -10.894 -3.933 -8.697 1.00 0.47 H new ATOM 0 HG3 GLU B 30 -10.416 -2.803 -9.948 1.00 0.47 H new ATOM 1395 N LYS B 31 -10.983 -1.333 -7.877 1.00 0.24 N ATOM 1396 CA LYS B 31 -11.748 -0.127 -8.101 1.00 0.25 C ATOM 1397 C LYS B 31 -12.089 0.516 -6.767 1.00 0.24 C ATOM 1398 O LYS B 31 -12.813 1.513 -6.708 1.00 0.28 O ATOM 1399 CB LYS B 31 -13.024 -0.454 -8.867 1.00 0.27 C ATOM 1400 CG LYS B 31 -12.806 -1.341 -10.085 1.00 0.30 C ATOM 1401 CD LYS B 31 -12.367 -0.559 -11.316 1.00 0.40 C ATOM 1402 CE LYS B 31 -10.889 -0.205 -11.285 1.00 0.37 C ATOM 1403 NZ LYS B 31 -10.457 0.461 -12.543 1.00 0.46 N ATOM 0 H LYS B 31 -11.532 -2.191 -7.923 1.00 0.24 H new ATOM 0 HA LYS B 31 -11.154 0.570 -8.692 1.00 0.25 H new ATOM 0 HB2 LYS B 31 -13.724 -0.947 -8.192 1.00 0.27 H new ATOM 0 HB3 LYS B 31 -13.492 0.477 -9.187 1.00 0.27 H new ATOM 0 HG2 LYS B 31 -12.053 -2.093 -9.851 1.00 0.30 H new ATOM 0 HG3 LYS B 31 -13.730 -1.874 -10.310 1.00 0.30 H new ATOM 0 HD2 LYS B 31 -12.578 -1.146 -12.210 1.00 0.40 H new ATOM 0 HD3 LYS B 31 -12.955 0.356 -11.390 1.00 0.40 H new ATOM 0 HE2 LYS B 31 -10.690 0.452 -10.438 1.00 0.37 H new ATOM 0 HE3 LYS B 31 -10.301 -1.110 -11.132 1.00 0.37 H new ATOM 0 HZ1 LYS B 31 -9.452 0.718 -12.472 1.00 0.46 H new ATOM 0 HZ2 LYS B 31 -10.593 -0.188 -13.344 1.00 0.46 H new ATOM 0 HZ3 LYS B 31 -11.024 1.320 -12.694 1.00 0.46 H new ATOM 1417 N ASP B 32 -11.567 -0.071 -5.693 1.00 0.21 N ATOM 1418 CA ASP B 32 -11.780 0.439 -4.370 1.00 0.21 C ATOM 1419 C ASP B 32 -10.742 1.507 -4.076 1.00 0.22 C ATOM 1420 O ASP B 32 -9.940 1.866 -4.941 1.00 0.40 O ATOM 1421 CB ASP B 32 -11.714 -0.715 -3.368 1.00 0.21 C ATOM 1422 CG ASP B 32 -12.191 -0.367 -1.970 1.00 1.19 C ATOM 1423 OD1 ASP B 32 -13.417 -0.394 -1.736 1.00 1.85 O ATOM 1424 OD2 ASP B 32 -11.348 -0.093 -1.104 1.00 2.05 O ATOM 0 H ASP B 32 -10.988 -0.910 -5.730 1.00 0.21 H new ATOM 0 HA ASP B 32 -12.766 0.897 -4.287 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -12.314 -1.542 -3.747 1.00 0.21 H new ATOM 0 HB3 ASP B 32 -10.685 -1.069 -3.309 1.00 0.21 H new ATOM 1429 N ALA B 33 -10.761 2.011 -2.872 1.00 0.21 N ATOM 1430 CA ALA B 33 -9.881 3.094 -2.485 1.00 0.17 C ATOM 1431 C ALA B 33 -9.292 2.778 -1.131 1.00 0.15 C ATOM 1432 O ALA B 33 -9.951 2.190 -0.277 1.00 0.25 O ATOM 1433 CB ALA B 33 -10.619 4.428 -2.448 1.00 0.21 C ATOM 0 H ALA B 33 -11.382 1.688 -2.130 1.00 0.21 H new ATOM 0 HA ALA B 33 -9.086 3.187 -3.225 1.00 0.17 H new ATOM 0 HB1 ALA B 33 -9.928 5.218 -2.154 1.00 0.21 H new ATOM 0 HB2 ALA B 33 -11.022 4.648 -3.436 1.00 0.21 H new ATOM 0 HB3 ALA B 33 -11.435 4.373 -1.727 1.00 0.21 H new ATOM 1439 N LEU B 34 -8.075 3.187 -0.917 1.00 0.11 N ATOM 1440 CA LEU B 34 -7.377 2.833 0.281 1.00 0.12 C ATOM 1441 C LEU B 34 -6.926 4.081 0.979 1.00 0.12 C ATOM 1442 O LEU B 34 -6.281 4.930 0.383 1.00 0.14 O ATOM 1443 CB LEU B 34 -6.189 1.946 -0.053 1.00 0.14 C ATOM 1444 CG LEU B 34 -6.560 0.521 -0.461 1.00 0.15 C ATOM 1445 CD1 LEU B 34 -5.386 -0.158 -1.146 1.00 0.23 C ATOM 1446 CD2 LEU B 34 -6.976 -0.263 0.772 1.00 0.33 C ATOM 0 H LEU B 34 -7.544 3.770 -1.563 1.00 0.11 H new ATOM 0 HA LEU B 34 -8.042 2.278 0.943 1.00 0.12 H new ATOM 0 HB2 LEU B 34 -5.623 2.407 -0.863 1.00 0.14 H new ATOM 0 HB3 LEU B 34 -5.529 1.903 0.813 1.00 0.14 H new ATOM 0 HG LEU B 34 -7.392 0.555 -1.165 1.00 0.15 H new ATOM 0 HD11 LEU B 34 -5.667 -1.172 -1.430 1.00 0.23 H new ATOM 0 HD12 LEU B 34 -5.110 0.405 -2.037 1.00 0.23 H new ATOM 0 HD13 LEU B 34 -4.538 -0.195 -0.463 1.00 0.23 H new ATOM 0 HD21 LEU B 34 -7.241 -1.280 0.484 1.00 0.33 H new ATOM 0 HD22 LEU B 34 -6.149 -0.291 1.482 1.00 0.33 H new ATOM 0 HD23 LEU B 34 -7.836 0.219 1.236 1.00 0.33 H new ATOM 1458 N GLU B 35 -7.267 4.176 2.232 1.00 0.14 N ATOM 1459 CA GLU B 35 -6.961 5.321 3.022 1.00 0.16 C ATOM 1460 C GLU B 35 -5.588 5.129 3.622 1.00 0.13 C ATOM 1461 O GLU B 35 -5.415 4.427 4.624 1.00 0.14 O ATOM 1462 CB GLU B 35 -8.026 5.481 4.092 1.00 0.25 C ATOM 1463 CG GLU B 35 -8.042 6.850 4.706 1.00 0.33 C ATOM 1464 CD GLU B 35 -9.157 7.014 5.721 1.00 0.47 C ATOM 1465 OE1 GLU B 35 -9.140 6.310 6.752 1.00 1.29 O ATOM 1466 OE2 GLU B 35 -10.069 7.835 5.484 1.00 1.01 O ATOM 0 H GLU B 35 -7.772 3.447 2.735 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.953 6.229 2.420 1.00 0.16 H new ATOM 0 HB2 GLU B 35 -9.004 5.273 3.657 1.00 0.25 H new ATOM 0 HB3 GLU B 35 -7.861 4.740 4.874 1.00 0.25 H new ATOM 0 HG2 GLU B 35 -7.084 7.040 5.189 1.00 0.33 H new ATOM 0 HG3 GLU B 35 -8.157 7.597 3.920 1.00 0.33 H new ATOM 1473 N ILE B 36 -4.611 5.694 2.944 1.00 0.11 N ATOM 1474 CA ILE B 36 -3.220 5.494 3.295 1.00 0.09 C ATOM 1475 C ILE B 36 -2.706 6.532 4.297 1.00 0.10 C ATOM 1476 O ILE B 36 -2.960 7.733 4.183 1.00 0.12 O ATOM 1477 CB ILE B 36 -2.339 5.526 2.037 1.00 0.11 C ATOM 1478 CG1 ILE B 36 -2.726 4.396 1.086 1.00 0.10 C ATOM 1479 CG2 ILE B 36 -0.865 5.446 2.404 1.00 0.14 C ATOM 1480 CD1 ILE B 36 -3.335 4.890 -0.201 1.00 0.13 C ATOM 0 H ILE B 36 -4.757 6.302 2.138 1.00 0.11 H new ATOM 0 HA ILE B 36 -3.160 4.515 3.771 1.00 0.09 H new ATOM 0 HB ILE B 36 -2.505 6.475 1.527 1.00 0.11 H new ATOM 0 HG12 ILE B 36 -1.841 3.802 0.858 1.00 0.10 H new ATOM 0 HG13 ILE B 36 -3.434 3.735 1.586 1.00 0.10 H new ATOM 0 HG21 ILE B 36 -0.262 5.470 1.496 1.00 0.14 H new ATOM 0 HG22 ILE B 36 -0.601 6.293 3.038 1.00 0.14 H new ATOM 0 HG23 ILE B 36 -0.674 4.517 2.942 1.00 0.14 H new ATOM 0 HD11 ILE B 36 -3.588 4.039 -0.834 1.00 0.13 H new ATOM 0 HD12 ILE B 36 -4.238 5.460 0.019 1.00 0.13 H new ATOM 0 HD13 ILE B 36 -2.620 5.528 -0.720 1.00 0.13 H new ATOM 1492 N TYR B 37 -1.967 6.027 5.262 1.00 0.11 N ATOM 1493 CA TYR B 37 -1.311 6.819 6.294 1.00 0.12 C ATOM 1494 C TYR B 37 0.112 6.304 6.426 1.00 0.11 C ATOM 1495 O TYR B 37 0.509 5.420 5.678 1.00 0.11 O ATOM 1496 CB TYR B 37 -2.020 6.673 7.644 1.00 0.16 C ATOM 1497 CG TYR B 37 -3.449 7.175 7.702 1.00 0.39 C ATOM 1498 CD1 TYR B 37 -4.505 6.406 7.229 1.00 1.12 C ATOM 1499 CD2 TYR B 37 -3.739 8.414 8.260 1.00 1.43 C ATOM 1500 CE1 TYR B 37 -5.808 6.862 7.302 1.00 1.19 C ATOM 1501 CE2 TYR B 37 -5.040 8.874 8.343 1.00 1.59 C ATOM 1502 CZ TYR B 37 -6.070 8.098 7.860 1.00 0.88 C ATOM 1503 OH TYR B 37 -7.369 8.552 7.942 1.00 1.13 O ATOM 0 H TYR B 37 -1.798 5.026 5.357 1.00 0.11 H new ATOM 0 HA TYR B 37 -1.336 7.872 6.014 1.00 0.12 H new ATOM 0 HB2 TYR B 37 -2.015 5.619 7.923 1.00 0.16 H new ATOM 0 HB3 TYR B 37 -1.438 7.205 8.397 1.00 0.16 H new ATOM 0 HD1 TYR B 37 -4.305 5.436 6.797 1.00 1.12 H new ATOM 0 HD2 TYR B 37 -2.934 9.028 8.635 1.00 1.43 H new ATOM 0 HE1 TYR B 37 -6.617 6.255 6.924 1.00 1.19 H new ATOM 0 HE2 TYR B 37 -5.248 9.837 8.785 1.00 1.59 H new ATOM 0 HH TYR B 37 -7.983 7.789 7.934 1.00 1.13 H new ATOM 1513 N VAL B 38 0.884 6.861 7.346 1.00 0.12 N ATOM 1514 CA VAL B 38 2.242 6.387 7.597 1.00 0.13 C ATOM 1515 C VAL B 38 2.622 6.553 9.069 1.00 0.14 C ATOM 1516 O VAL B 38 2.369 7.588 9.681 1.00 0.17 O ATOM 1517 CB VAL B 38 3.289 7.104 6.698 1.00 0.15 C ATOM 1518 CG1 VAL B 38 4.687 7.001 7.290 1.00 0.16 C ATOM 1519 CG2 VAL B 38 3.281 6.541 5.283 1.00 0.19 C ATOM 0 H VAL B 38 0.596 7.643 7.934 1.00 0.12 H new ATOM 0 HA VAL B 38 2.252 5.327 7.345 1.00 0.13 H new ATOM 0 HB VAL B 38 3.008 8.156 6.654 1.00 0.15 H new ATOM 0 HG11 VAL B 38 5.396 7.512 6.639 1.00 0.16 H new ATOM 0 HG12 VAL B 38 4.700 7.466 8.276 1.00 0.16 H new ATOM 0 HG13 VAL B 38 4.968 5.952 7.380 1.00 0.16 H new ATOM 0 HG21 VAL B 38 4.024 7.063 4.680 1.00 0.19 H new ATOM 0 HG22 VAL B 38 3.520 5.478 5.313 1.00 0.19 H new ATOM 0 HG23 VAL B 38 2.294 6.679 4.842 1.00 0.19 H new ATOM 1529 N ASP B 39 3.236 5.516 9.616 1.00 0.16 N ATOM 1530 CA ASP B 39 3.718 5.527 10.986 1.00 0.20 C ATOM 1531 C ASP B 39 5.227 5.688 10.983 1.00 0.24 C ATOM 1532 O ASP B 39 5.956 4.752 10.645 1.00 0.35 O ATOM 1533 CB ASP B 39 3.320 4.243 11.720 1.00 0.37 C ATOM 1534 CG ASP B 39 3.949 4.154 13.099 1.00 0.99 C ATOM 1535 OD1 ASP B 39 3.746 5.079 13.908 1.00 1.49 O ATOM 1536 OD2 ASP B 39 4.664 3.162 13.366 1.00 1.71 O ATOM 0 H ASP B 39 3.414 4.642 9.121 1.00 0.16 H new ATOM 0 HA ASP B 39 3.262 6.365 11.514 1.00 0.20 H new ATOM 0 HB2 ASP B 39 2.235 4.201 11.814 1.00 0.37 H new ATOM 0 HB3 ASP B 39 3.622 3.379 11.128 1.00 0.37 H new ATOM 1541 N ASP B 40 5.669 6.888 11.344 1.00 0.33 N ATOM 1542 CA ASP B 40 7.072 7.299 11.262 1.00 0.46 C ATOM 1543 C ASP B 40 7.570 7.254 9.829 1.00 0.51 C ATOM 1544 O ASP B 40 7.709 8.286 9.173 1.00 0.90 O ATOM 1545 CB ASP B 40 7.987 6.428 12.130 1.00 0.71 C ATOM 1546 CG ASP B 40 9.293 7.128 12.452 1.00 1.40 C ATOM 1547 OD1 ASP B 40 10.246 7.027 11.657 1.00 1.98 O ATOM 1548 OD2 ASP B 40 9.370 7.797 13.503 1.00 2.08 O ATOM 0 H ASP B 40 5.055 7.617 11.708 1.00 0.33 H new ATOM 0 HA ASP B 40 7.111 8.322 11.637 1.00 0.46 H new ATOM 0 HB2 ASP B 40 7.473 6.173 13.057 1.00 0.71 H new ATOM 0 HB3 ASP B 40 8.195 5.491 11.613 1.00 0.71 H new ATOM 1553 N GLU B 41 7.817 6.048 9.347 1.00 0.40 N ATOM 1554 CA GLU B 41 8.373 5.849 8.031 1.00 0.60 C ATOM 1555 C GLU B 41 7.752 4.639 7.339 1.00 0.45 C ATOM 1556 O GLU B 41 8.286 4.157 6.340 1.00 0.48 O ATOM 1557 CB GLU B 41 9.883 5.665 8.130 1.00 1.02 C ATOM 1558 CG GLU B 41 10.289 4.516 9.034 1.00 1.19 C ATOM 1559 CD GLU B 41 11.778 4.256 8.983 1.00 1.70 C ATOM 1560 OE1 GLU B 41 12.287 3.892 7.899 1.00 2.39 O ATOM 1561 OE2 GLU B 41 12.454 4.440 10.014 1.00 1.96 O ATOM 0 H GLU B 41 7.636 5.185 9.860 1.00 0.40 H new ATOM 0 HA GLU B 41 8.147 6.733 7.434 1.00 0.60 H new ATOM 0 HB2 GLU B 41 10.287 5.494 7.132 1.00 1.02 H new ATOM 0 HB3 GLU B 41 10.331 6.587 8.502 1.00 1.02 H new ATOM 0 HG2 GLU B 41 9.995 4.740 10.059 1.00 1.19 H new ATOM 0 HG3 GLU B 41 9.753 3.614 8.738 1.00 1.19 H new ATOM 1568 N LYS B 42 6.631 4.140 7.851 1.00 0.32 N ATOM 1569 CA LYS B 42 5.984 3.011 7.201 1.00 0.28 C ATOM 1570 C LYS B 42 4.544 3.309 6.844 1.00 0.20 C ATOM 1571 O LYS B 42 3.870 4.068 7.513 1.00 0.18 O ATOM 1572 CB LYS B 42 6.069 1.734 8.040 1.00 0.35 C ATOM 1573 CG LYS B 42 5.187 1.738 9.277 1.00 0.44 C ATOM 1574 CD LYS B 42 4.711 0.334 9.606 1.00 0.52 C ATOM 1575 CE LYS B 42 3.862 0.312 10.863 1.00 0.41 C ATOM 1576 NZ LYS B 42 4.695 0.434 12.087 1.00 0.83 N ATOM 0 H LYS B 42 6.165 4.488 8.689 1.00 0.32 H new ATOM 0 HA LYS B 42 6.534 2.842 6.275 1.00 0.28 H new ATOM 0 HB2 LYS B 42 5.794 0.884 7.415 1.00 0.35 H new ATOM 0 HB3 LYS B 42 7.104 1.583 8.347 1.00 0.35 H new ATOM 0 HG2 LYS B 42 5.741 2.146 10.122 1.00 0.44 H new ATOM 0 HG3 LYS B 42 4.328 2.389 9.114 1.00 0.44 H new ATOM 0 HD2 LYS B 42 4.134 -0.060 8.770 1.00 0.52 H new ATOM 0 HD3 LYS B 42 5.572 -0.321 9.736 1.00 0.52 H new ATOM 0 HE2 LYS B 42 3.141 1.129 10.830 1.00 0.41 H new ATOM 0 HE3 LYS B 42 3.291 -0.616 10.901 1.00 0.41 H new ATOM 0 HZ1 LYS B 42 4.357 -0.238 12.805 1.00 0.83 H new ATOM 0 HZ2 LYS B 42 5.686 0.222 11.855 1.00 0.83 H new ATOM 0 HZ3 LYS B 42 4.626 1.403 12.459 1.00 0.83 H new ATOM 1590 N ILE B 43 4.081 2.655 5.802 1.00 0.16 N ATOM 1591 CA ILE B 43 2.816 2.973 5.171 1.00 0.13 C ATOM 1592 C ILE B 43 1.670 2.137 5.751 1.00 0.12 C ATOM 1593 O ILE B 43 1.826 0.946 6.011 1.00 0.13 O ATOM 1594 CB ILE B 43 2.908 2.723 3.648 1.00 0.12 C ATOM 1595 CG1 ILE B 43 4.082 3.479 3.021 1.00 0.20 C ATOM 1596 CG2 ILE B 43 1.625 3.115 2.966 1.00 0.12 C ATOM 1597 CD1 ILE B 43 5.387 2.707 3.029 1.00 0.47 C ATOM 0 H ILE B 43 4.576 1.879 5.363 1.00 0.16 H new ATOM 0 HA ILE B 43 2.606 4.025 5.365 1.00 0.13 H new ATOM 0 HB ILE B 43 3.077 1.656 3.506 1.00 0.12 H new ATOM 0 HG12 ILE B 43 3.829 3.734 1.992 1.00 0.20 H new ATOM 0 HG13 ILE B 43 4.224 4.418 3.556 1.00 0.20 H new ATOM 0 HG21 ILE B 43 1.711 2.931 1.895 1.00 0.12 H new ATOM 0 HG22 ILE B 43 0.803 2.525 3.371 1.00 0.12 H new ATOM 0 HG23 ILE B 43 1.430 4.174 3.138 1.00 0.12 H new ATOM 0 HD11 ILE B 43 6.169 3.310 2.568 1.00 0.47 H new ATOM 0 HD12 ILE B 43 5.666 2.475 4.057 1.00 0.47 H new ATOM 0 HD13 ILE B 43 5.265 1.780 2.468 1.00 0.47 H new ATOM 1609 N ILE B 44 0.523 2.773 5.960 1.00 0.12 N ATOM 1610 CA ILE B 44 -0.649 2.106 6.517 1.00 0.13 C ATOM 1611 C ILE B 44 -1.816 2.226 5.542 1.00 0.12 C ATOM 1612 O ILE B 44 -2.339 3.319 5.340 1.00 0.12 O ATOM 1613 CB ILE B 44 -1.101 2.722 7.869 1.00 0.14 C ATOM 1614 CG1 ILE B 44 -0.003 3.594 8.504 1.00 0.14 C ATOM 1615 CG2 ILE B 44 -1.534 1.620 8.832 1.00 0.18 C ATOM 1616 CD1 ILE B 44 1.238 2.849 8.946 1.00 0.15 C ATOM 0 H ILE B 44 0.379 3.761 5.750 1.00 0.12 H new ATOM 0 HA ILE B 44 -0.367 1.066 6.685 1.00 0.13 H new ATOM 0 HB ILE B 44 -1.951 3.373 7.665 1.00 0.14 H new ATOM 0 HG12 ILE B 44 0.289 4.361 7.787 1.00 0.14 H new ATOM 0 HG13 ILE B 44 -0.425 4.109 9.367 1.00 0.14 H new ATOM 0 HG21 ILE B 44 -1.849 2.065 9.776 1.00 0.18 H new ATOM 0 HG22 ILE B 44 -2.365 1.064 8.398 1.00 0.18 H new ATOM 0 HG23 ILE B 44 -0.698 0.943 9.010 1.00 0.18 H new ATOM 0 HD11 ILE B 44 1.949 3.552 9.379 1.00 0.15 H new ATOM 0 HD12 ILE B 44 0.967 2.101 9.691 1.00 0.15 H new ATOM 0 HD13 ILE B 44 1.692 2.357 8.086 1.00 0.15 H new ATOM 1628 N LEU B 45 -2.217 1.122 4.932 1.00 0.13 N ATOM 1629 CA LEU B 45 -3.333 1.138 3.993 1.00 0.12 C ATOM 1630 C LEU B 45 -4.588 0.563 4.629 1.00 0.12 C ATOM 1631 O LEU B 45 -4.681 -0.633 4.865 1.00 0.12 O ATOM 1632 CB LEU B 45 -3.023 0.313 2.739 1.00 0.12 C ATOM 1633 CG LEU B 45 -2.271 1.031 1.623 1.00 0.11 C ATOM 1634 CD1 LEU B 45 -0.885 1.420 2.072 1.00 0.12 C ATOM 1635 CD2 LEU B 45 -2.194 0.153 0.385 1.00 0.12 C ATOM 0 H LEU B 45 -1.790 0.206 5.068 1.00 0.13 H new ATOM 0 HA LEU B 45 -3.492 2.181 3.719 1.00 0.12 H new ATOM 0 HB2 LEU B 45 -2.440 -0.558 3.039 1.00 0.12 H new ATOM 0 HB3 LEU B 45 -3.964 -0.058 2.333 1.00 0.12 H new ATOM 0 HG LEU B 45 -2.819 1.940 1.376 1.00 0.11 H new ATOM 0 HD11 LEU B 45 -0.369 1.930 1.259 1.00 0.12 H new ATOM 0 HD12 LEU B 45 -0.955 2.086 2.932 1.00 0.12 H new ATOM 0 HD13 LEU B 45 -0.328 0.525 2.350 1.00 0.12 H new ATOM 0 HD21 LEU B 45 -1.654 0.680 -0.402 1.00 0.12 H new ATOM 0 HD22 LEU B 45 -1.671 -0.772 0.627 1.00 0.12 H new ATOM 0 HD23 LEU B 45 -3.202 -0.080 0.041 1.00 0.12 H new ATOM 1647 N LYS B 46 -5.551 1.404 4.903 1.00 0.15 N ATOM 1648 CA LYS B 46 -6.870 0.925 5.277 1.00 0.18 C ATOM 1649 C LYS B 46 -7.781 1.140 4.106 1.00 0.20 C ATOM 1650 O LYS B 46 -7.407 1.826 3.174 1.00 0.44 O ATOM 1651 CB LYS B 46 -7.389 1.659 6.514 1.00 0.30 C ATOM 1652 CG LYS B 46 -6.543 1.434 7.755 1.00 0.93 C ATOM 1653 CD LYS B 46 -7.234 1.968 8.994 1.00 1.04 C ATOM 1654 CE LYS B 46 -7.345 3.479 8.950 1.00 1.68 C ATOM 1655 NZ LYS B 46 -8.135 4.006 10.092 1.00 1.98 N ATOM 0 H LYS B 46 -5.455 2.419 4.877 1.00 0.15 H new ATOM 0 HA LYS B 46 -6.827 -0.134 5.532 1.00 0.18 H new ATOM 0 HB2 LYS B 46 -7.430 2.727 6.301 1.00 0.30 H new ATOM 0 HB3 LYS B 46 -8.410 1.335 6.717 1.00 0.30 H new ATOM 0 HG2 LYS B 46 -6.346 0.369 7.876 1.00 0.93 H new ATOM 0 HG3 LYS B 46 -5.577 1.925 7.634 1.00 0.93 H new ATOM 0 HD2 LYS B 46 -8.229 1.530 9.077 1.00 1.04 H new ATOM 0 HD3 LYS B 46 -6.678 1.667 9.882 1.00 1.04 H new ATOM 0 HE2 LYS B 46 -6.347 3.918 8.965 1.00 1.68 H new ATOM 0 HE3 LYS B 46 -7.813 3.782 8.013 1.00 1.68 H new ATOM 0 HZ1 LYS B 46 -8.189 5.043 10.028 1.00 1.98 H new ATOM 0 HZ2 LYS B 46 -9.095 3.607 10.064 1.00 1.98 H new ATOM 0 HZ3 LYS B 46 -7.675 3.738 10.985 1.00 1.98 H new ATOM 1669 N LYS B 47 -8.934 0.522 4.104 1.00 0.18 N ATOM 1670 CA LYS B 47 -9.907 0.845 3.075 1.00 0.22 C ATOM 1671 C LYS B 47 -10.409 2.254 3.325 1.00 0.23 C ATOM 1672 O LYS B 47 -10.417 2.717 4.469 1.00 0.32 O ATOM 1673 CB LYS B 47 -11.076 -0.145 3.032 1.00 0.38 C ATOM 1674 CG LYS B 47 -11.912 -0.218 4.298 1.00 0.54 C ATOM 1675 CD LYS B 47 -13.243 -0.886 4.014 1.00 0.88 C ATOM 1676 CE LYS B 47 -13.051 -2.329 3.580 1.00 1.63 C ATOM 1677 NZ LYS B 47 -14.280 -2.899 2.963 1.00 2.20 N ATOM 0 H LYS B 47 -9.223 -0.187 4.778 1.00 0.18 H new ATOM 0 HA LYS B 47 -9.419 0.775 2.103 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.728 0.124 2.201 1.00 0.38 H new ATOM 0 HB3 LYS B 47 -10.681 -1.139 2.819 1.00 0.38 H new ATOM 0 HG2 LYS B 47 -11.374 -0.776 5.065 1.00 0.54 H new ATOM 0 HG3 LYS B 47 -12.078 0.785 4.690 1.00 0.54 H new ATOM 0 HD2 LYS B 47 -13.868 -0.852 4.906 1.00 0.88 H new ATOM 0 HD3 LYS B 47 -13.770 -0.336 3.234 1.00 0.88 H new ATOM 0 HE2 LYS B 47 -12.229 -2.386 2.867 1.00 1.63 H new ATOM 0 HE3 LYS B 47 -12.767 -2.931 4.443 1.00 1.63 H new ATOM 0 HZ1 LYS B 47 -14.103 -3.885 2.682 1.00 2.20 H new ATOM 0 HZ2 LYS B 47 -15.059 -2.870 3.651 1.00 2.20 H new ATOM 0 HZ3 LYS B 47 -14.538 -2.341 2.124 1.00 2.20 H new ATOM 1691 N TYR B 48 -10.803 2.943 2.268 1.00 0.23 N ATOM 1692 CA TYR B 48 -11.241 4.318 2.388 1.00 0.31 C ATOM 1693 C TYR B 48 -12.434 4.413 3.331 1.00 0.50 C ATOM 1694 O TYR B 48 -13.177 3.446 3.499 1.00 0.60 O ATOM 1695 CB TYR B 48 -11.598 4.871 1.009 1.00 0.27 C ATOM 1696 CG TYR B 48 -12.878 4.310 0.418 1.00 0.85 C ATOM 1697 CD1 TYR B 48 -12.880 3.108 -0.276 1.00 1.70 C ATOM 1698 CD2 TYR B 48 -14.082 4.991 0.548 1.00 1.77 C ATOM 1699 CE1 TYR B 48 -14.042 2.600 -0.823 1.00 2.36 C ATOM 1700 CE2 TYR B 48 -15.246 4.489 0.002 1.00 2.45 C ATOM 1701 CZ TYR B 48 -15.222 3.296 -0.681 1.00 2.50 C ATOM 1702 OH TYR B 48 -16.381 2.797 -1.236 1.00 3.32 O ATOM 0 H TYR B 48 -10.828 2.571 1.319 1.00 0.23 H new ATOM 0 HA TYR B 48 -10.430 4.915 2.804 1.00 0.31 H new ATOM 0 HB2 TYR B 48 -11.690 5.955 1.079 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -10.775 4.664 0.324 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.956 2.560 -0.390 1.00 1.70 H new ATOM 0 HD2 TYR B 48 -14.108 5.928 1.085 1.00 1.77 H new ATOM 0 HE1 TYR B 48 -14.025 1.663 -1.359 1.00 2.36 H new ATOM 0 HE2 TYR B 48 -16.173 5.032 0.111 1.00 2.45 H new ATOM 0 HH TYR B 48 -17.124 3.407 -1.045 1.00 3.32 H new