USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 20 TYR OH : rot 180:sc= 1.04 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -156:sc= 0.893 (180deg=0.534) USER MOD Single : A 1 SER OG : rot 180:sc= -0.734 USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= 1.86 (180deg=1.75) USER MOD Single : A 5 LYS NZ :NH3+ -135:sc= 0.568 (180deg=0.00368) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 40:sc= 0.781 USER MOD Single : A 9 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.013) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0.269 (180deg=-0.0897) USER MOD Single : A 19 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -149:sc= 0.0164 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.71) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= -0.0665 (180deg=-0.379) USER MOD Single : A 47 SER OG : rot 33:sc= 1.29 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.88) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 3.53 (180deg=2.04) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.16) USER MOD Single : A 69 THR OG1 : rot -6:sc= 0.708 USER MOD Single : A 71 GLN : amide:sc= -0.0355 K(o=-0.036,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.568 20.875 13.172 1.00 15.00 N ATOM 2 CA SER A 1 7.802 20.001 12.288 1.00 15.00 C ATOM 3 C SER A 1 8.470 20.089 10.921 1.00 15.00 C ATOM 4 O SER A 1 9.118 21.112 10.660 1.00 15.00 O ATOM 5 CB SER A 1 6.354 20.533 12.223 1.00 15.00 C ATOM 6 OG SER A 1 5.544 19.779 11.348 1.00 15.00 O ATOM 0 H1 SER A 1 8.443 20.568 14.158 1.00 15.00 H new ATOM 0 H2 SER A 1 9.576 20.827 12.920 1.00 15.00 H new ATOM 0 H3 SER A 1 8.232 21.854 13.069 1.00 15.00 H new ATOM 0 HA SER A 1 7.776 18.967 12.633 1.00 15.00 H new ATOM 0 HB2 SER A 1 5.918 20.517 13.222 1.00 15.00 H new ATOM 0 HB3 SER A 1 6.366 21.573 11.897 1.00 15.00 H new ATOM 0 HG SER A 1 4.637 20.150 11.340 1.00 15.00 H new ATOM 12 N LYS A 2 8.398 19.074 10.045 1.00 15.00 N ATOM 13 CA LYS A 2 8.900 19.210 8.704 1.00 15.00 C ATOM 14 C LYS A 2 7.852 18.622 7.832 1.00 15.00 C ATOM 15 O LYS A 2 6.976 17.948 8.353 1.00 15.00 O ATOM 16 CB LYS A 2 10.188 18.383 8.427 1.00 15.00 C ATOM 17 CG LYS A 2 11.408 18.704 9.271 1.00 15.00 C ATOM 18 CD LYS A 2 12.694 18.208 8.577 1.00 15.00 C ATOM 19 CE LYS A 2 12.638 16.730 8.216 1.00 15.00 C ATOM 20 NZ LYS A 2 13.867 16.264 7.540 1.00 15.00 N ATOM 0 H LYS A 2 7.996 18.161 10.258 1.00 15.00 H new ATOM 0 HA LYS A 2 9.133 20.261 8.532 1.00 15.00 H new ATOM 0 HB2 LYS A 2 9.949 17.328 8.564 1.00 15.00 H new ATOM 0 HB3 LYS A 2 10.457 18.515 7.379 1.00 15.00 H new ATOM 0 HG2 LYS A 2 11.469 19.780 9.437 1.00 15.00 H new ATOM 0 HG3 LYS A 2 11.313 18.235 10.250 1.00 15.00 H new ATOM 0 HD2 LYS A 2 12.861 18.792 7.672 1.00 15.00 H new ATOM 0 HD3 LYS A 2 13.547 18.385 9.233 1.00 15.00 H new ATOM 0 HE2 LYS A 2 12.481 16.144 9.122 1.00 15.00 H new ATOM 0 HE3 LYS A 2 11.780 16.550 7.568 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 13.799 15.242 7.362 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 13.978 16.767 6.636 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 14.690 16.455 8.146 1.00 15.00 H new ATOM 34 N TRP A 3 7.934 18.825 6.562 1.00 15.00 N ATOM 35 CA TRP A 3 7.022 18.244 5.610 1.00 15.00 C ATOM 36 C TRP A 3 7.884 17.483 4.628 1.00 15.00 C ATOM 37 O TRP A 3 8.658 18.091 3.871 1.00 15.00 O ATOM 38 CB TRP A 3 6.298 19.366 4.835 1.00 15.00 C ATOM 39 CG TRP A 3 5.021 18.903 4.169 1.00 15.00 C ATOM 40 CD1 TRP A 3 3.761 19.142 4.620 1.00 15.00 C ATOM 41 CD2 TRP A 3 4.870 18.100 2.973 1.00 15.00 C ATOM 42 NE1 TRP A 3 2.838 18.557 3.795 1.00 15.00 N ATOM 43 CE2 TRP A 3 3.487 17.912 2.777 1.00 15.00 C ATOM 44 CE3 TRP A 3 5.759 17.528 2.054 1.00 15.00 C ATOM 45 CZ2 TRP A 3 2.976 17.179 1.706 1.00 15.00 C ATOM 46 CZ3 TRP A 3 5.249 16.801 0.994 1.00 15.00 C ATOM 47 CH2 TRP A 3 3.871 16.634 0.828 1.00 15.00 C ATOM 0 H TRP A 3 8.651 19.412 6.136 1.00 15.00 H new ATOM 0 HA TRP A 3 6.283 17.613 6.104 1.00 15.00 H new ATOM 0 HB2 TRP A 3 6.067 20.182 5.520 1.00 15.00 H new ATOM 0 HB3 TRP A 3 6.971 19.767 4.077 1.00 15.00 H new ATOM 0 HD1 TRP A 3 3.522 19.713 5.505 1.00 15.00 H new ATOM 0 HE1 TRP A 3 1.826 18.596 3.919 1.00 15.00 H new ATOM 0 HE3 TRP A 3 6.825 17.653 2.171 1.00 15.00 H new ATOM 0 HZ2 TRP A 3 1.912 17.047 1.575 1.00 15.00 H new ATOM 0 HZ3 TRP A 3 5.927 16.354 0.282 1.00 15.00 H new ATOM 0 HH2 TRP A 3 3.506 16.062 -0.012 1.00 15.00 H new ATOM 58 N ILE A 4 7.800 16.150 4.647 1.00 15.00 N ATOM 59 CA ILE A 4 8.594 15.309 3.746 1.00 15.00 C ATOM 60 C ILE A 4 7.681 14.238 3.145 1.00 15.00 C ATOM 61 O ILE A 4 6.458 14.329 3.303 1.00 15.00 O ATOM 62 CB ILE A 4 9.851 14.669 4.441 1.00 15.00 C ATOM 63 CG1 ILE A 4 9.451 13.779 5.620 1.00 15.00 C ATOM 64 CG2 ILE A 4 10.858 15.740 4.866 1.00 15.00 C ATOM 65 CD1 ILE A 4 10.603 13.081 6.313 1.00 15.00 C ATOM 0 H ILE A 4 7.190 15.629 5.277 1.00 15.00 H new ATOM 0 HA ILE A 4 8.997 15.943 2.956 1.00 15.00 H new ATOM 0 HB ILE A 4 10.340 14.031 3.705 1.00 15.00 H new ATOM 0 HG12 ILE A 4 8.921 14.388 6.352 1.00 15.00 H new ATOM 0 HG13 ILE A 4 8.749 13.025 5.265 1.00 15.00 H new ATOM 0 HG21 ILE A 4 11.715 15.265 5.343 1.00 15.00 H new ATOM 0 HG22 ILE A 4 11.192 16.294 3.989 1.00 15.00 H new ATOM 0 HG23 ILE A 4 10.385 16.425 5.569 1.00 15.00 H new ATOM 0 HD11 ILE A 4 10.220 12.475 7.134 1.00 15.00 H new ATOM 0 HD12 ILE A 4 11.122 12.441 5.600 1.00 15.00 H new ATOM 0 HD13 ILE A 4 11.297 13.825 6.704 1.00 15.00 H new ATOM 77 N LYS A 5 8.238 13.204 2.523 1.00 15.00 N ATOM 78 CA LYS A 5 7.426 12.212 1.834 1.00 15.00 C ATOM 79 C LYS A 5 7.873 10.860 2.324 1.00 15.00 C ATOM 80 O LYS A 5 9.057 10.589 2.315 1.00 15.00 O ATOM 81 CB LYS A 5 7.640 12.267 0.321 1.00 15.00 C ATOM 82 CG LYS A 5 6.833 11.222 -0.439 1.00 15.00 C ATOM 83 CD LYS A 5 7.189 11.205 -1.906 1.00 15.00 C ATOM 84 CE LYS A 5 6.421 10.122 -2.648 1.00 15.00 C ATOM 85 NZ LYS A 5 6.819 10.043 -4.068 1.00 15.00 N ATOM 0 H LYS A 5 9.243 13.033 2.483 1.00 15.00 H new ATOM 0 HA LYS A 5 6.372 12.403 2.036 1.00 15.00 H new ATOM 0 HB2 LYS A 5 7.370 13.259 -0.042 1.00 15.00 H new ATOM 0 HB3 LYS A 5 8.699 12.126 0.105 1.00 15.00 H new ATOM 0 HG2 LYS A 5 7.014 10.237 -0.008 1.00 15.00 H new ATOM 0 HG3 LYS A 5 5.769 11.429 -0.324 1.00 15.00 H new ATOM 0 HD2 LYS A 5 6.969 12.177 -2.347 1.00 15.00 H new ATOM 0 HD3 LYS A 5 8.260 11.038 -2.021 1.00 15.00 H new ATOM 0 HE2 LYS A 5 6.595 9.159 -2.168 1.00 15.00 H new ATOM 0 HE3 LYS A 5 5.352 10.323 -2.581 1.00 15.00 H new ATOM 0 HZ1 LYS A 5 5.969 9.968 -4.663 1.00 15.00 H new ATOM 0 HZ2 LYS A 5 7.350 10.899 -4.328 1.00 15.00 H new ATOM 0 HZ3 LYS A 5 7.419 9.206 -4.214 1.00 15.00 H new ATOM 99 N PHE A 6 6.963 10.090 2.878 1.00 15.00 N ATOM 100 CA PHE A 6 7.198 8.740 3.322 1.00 15.00 C ATOM 101 C PHE A 6 7.404 7.708 2.182 1.00 15.00 C ATOM 102 O PHE A 6 7.802 8.030 1.084 1.00 15.00 O ATOM 103 CB PHE A 6 5.787 8.388 3.970 1.00 15.00 C ATOM 104 CG PHE A 6 5.784 7.348 5.093 1.00 15.00 C ATOM 105 CD1 PHE A 6 6.903 7.142 5.903 1.00 15.00 C ATOM 106 CD2 PHE A 6 4.649 6.594 5.337 1.00 15.00 C ATOM 107 CE1 PHE A 6 6.877 6.209 6.917 1.00 15.00 C ATOM 108 CE2 PHE A 6 4.623 5.664 6.357 1.00 15.00 C ATOM 109 CZ PHE A 6 5.736 5.470 7.146 1.00 15.00 C ATOM 0 H PHE A 6 6.005 10.401 3.036 1.00 15.00 H new ATOM 0 HA PHE A 6 8.093 8.690 3.943 1.00 15.00 H new ATOM 0 HB2 PHE A 6 5.352 9.309 4.359 1.00 15.00 H new ATOM 0 HB3 PHE A 6 5.128 8.034 3.177 1.00 15.00 H new ATOM 0 HD1 PHE A 6 7.799 7.721 5.733 1.00 15.00 H new ATOM 0 HD2 PHE A 6 3.773 6.735 4.722 1.00 15.00 H new ATOM 0 HE1 PHE A 6 7.751 6.057 7.533 1.00 15.00 H new ATOM 0 HE2 PHE A 6 3.728 5.087 6.537 1.00 15.00 H new ATOM 0 HZ PHE A 6 5.714 4.741 7.942 1.00 15.00 H new ATOM 119 N THR A 7 6.874 6.545 2.441 1.00 15.00 N ATOM 120 CA THR A 7 6.900 5.381 1.641 1.00 15.00 C ATOM 121 C THR A 7 5.415 5.190 1.267 1.00 15.00 C ATOM 122 O THR A 7 4.545 5.354 2.133 1.00 15.00 O ATOM 123 CB THR A 7 7.346 4.202 2.545 1.00 15.00 C ATOM 124 OG1 THR A 7 8.601 4.508 3.183 1.00 15.00 O ATOM 125 CG2 THR A 7 7.487 2.917 1.756 1.00 15.00 C ATOM 0 H THR A 7 6.364 6.388 3.310 1.00 15.00 H new ATOM 0 HA THR A 7 7.561 5.438 0.776 1.00 15.00 H new ATOM 0 HB THR A 7 6.573 4.060 3.300 1.00 15.00 H new ATOM 0 HG1 THR A 7 8.870 3.757 3.752 1.00 15.00 H new ATOM 0 HG21 THR A 7 7.801 2.113 2.422 1.00 15.00 H new ATOM 0 HG22 THR A 7 6.529 2.660 1.304 1.00 15.00 H new ATOM 0 HG23 THR A 7 8.233 3.051 0.973 1.00 15.00 H new ATOM 133 N THR A 8 5.100 4.853 0.030 1.00 15.00 N ATOM 134 CA THR A 8 3.713 4.806 -0.420 1.00 15.00 C ATOM 135 C THR A 8 3.546 3.458 -1.132 1.00 15.00 C ATOM 136 O THR A 8 4.103 3.268 -2.210 1.00 15.00 O ATOM 137 CB THR A 8 3.517 5.976 -1.434 1.00 15.00 C ATOM 138 OG1 THR A 8 4.556 5.938 -2.429 1.00 15.00 O ATOM 139 CG2 THR A 8 3.564 7.333 -0.729 1.00 15.00 C ATOM 0 H THR A 8 5.784 4.607 -0.685 1.00 15.00 H new ATOM 0 HA THR A 8 2.992 4.904 0.391 1.00 15.00 H new ATOM 0 HB THR A 8 2.540 5.853 -1.900 1.00 15.00 H new ATOM 0 HG1 THR A 8 4.739 5.007 -2.676 1.00 15.00 H new ATOM 0 HG21 THR A 8 3.425 8.128 -1.461 1.00 15.00 H new ATOM 0 HG22 THR A 8 2.771 7.383 0.017 1.00 15.00 H new ATOM 0 HG23 THR A 8 4.530 7.456 -0.240 1.00 15.00 H new ATOM 147 N ASN A 9 2.849 2.511 -0.533 1.00 15.00 N ATOM 148 CA ASN A 9 2.808 1.152 -1.118 1.00 15.00 C ATOM 149 C ASN A 9 1.694 0.290 -0.546 1.00 15.00 C ATOM 150 O ASN A 9 0.994 -0.397 -1.270 1.00 15.00 O ATOM 151 CB ASN A 9 4.148 0.460 -0.744 1.00 15.00 C ATOM 152 CG ASN A 9 4.313 -0.958 -1.288 1.00 15.00 C ATOM 153 OD1 ASN A 9 4.900 -1.804 -0.626 1.00 15.00 O ATOM 154 ND2 ASN A 9 3.868 -1.213 -2.490 1.00 15.00 N ATOM 0 H ASN A 9 2.316 2.633 0.328 1.00 15.00 H new ATOM 0 HA ASN A 9 2.641 1.252 -2.191 1.00 15.00 H new ATOM 0 HB2 ASN A 9 4.971 1.073 -1.111 1.00 15.00 H new ATOM 0 HB3 ASN A 9 4.233 0.429 0.342 1.00 15.00 H new ATOM 0 HD21 ASN A 9 4.006 -2.137 -2.900 1.00 15.00 H new ATOM 0 HD22 ASN A 9 3.382 -0.488 -3.018 1.00 15.00 H new ATOM 161 N LEU A 10 1.508 0.435 0.745 1.00 15.00 N ATOM 162 CA LEU A 10 0.724 -0.467 1.592 1.00 15.00 C ATOM 163 C LEU A 10 0.597 0.121 2.978 1.00 15.00 C ATOM 164 O LEU A 10 -0.103 1.107 3.190 1.00 15.00 O ATOM 165 CB LEU A 10 1.421 -1.883 1.719 1.00 15.00 C ATOM 166 CG LEU A 10 1.487 -2.784 0.484 1.00 15.00 C ATOM 167 CD1 LEU A 10 2.298 -4.030 0.789 1.00 15.00 C ATOM 168 CD2 LEU A 10 0.083 -3.177 0.048 1.00 15.00 C ATOM 0 H LEU A 10 1.911 1.214 1.266 1.00 15.00 H new ATOM 0 HA LEU A 10 -0.256 -0.589 1.131 1.00 15.00 H new ATOM 0 HB2 LEU A 10 2.442 -1.719 2.063 1.00 15.00 H new ATOM 0 HB3 LEU A 10 0.905 -2.436 2.504 1.00 15.00 H new ATOM 0 HG LEU A 10 1.970 -2.235 -0.324 1.00 15.00 H new ATOM 0 HD11 LEU A 10 2.338 -4.664 -0.097 1.00 15.00 H new ATOM 0 HD12 LEU A 10 3.310 -3.744 1.077 1.00 15.00 H new ATOM 0 HD13 LEU A 10 1.829 -4.578 1.606 1.00 15.00 H new ATOM 0 HD21 LEU A 10 0.141 -3.818 -0.832 1.00 15.00 H new ATOM 0 HD22 LEU A 10 -0.412 -3.715 0.857 1.00 15.00 H new ATOM 0 HD23 LEU A 10 -0.487 -2.280 -0.194 1.00 15.00 H new ATOM 180 N THR A 11 1.323 -0.461 3.869 1.00 15.00 N ATOM 181 CA THR A 11 1.431 -0.155 5.206 1.00 15.00 C ATOM 182 C THR A 11 2.894 -0.347 5.399 1.00 15.00 C ATOM 183 O THR A 11 3.396 -1.476 5.411 1.00 15.00 O ATOM 184 CB THR A 11 0.556 -1.160 6.096 1.00 15.00 C ATOM 185 OG1 THR A 11 0.741 -0.916 7.496 1.00 15.00 O ATOM 186 CG2 THR A 11 0.768 -2.647 5.771 1.00 15.00 C ATOM 0 H THR A 11 1.915 -1.253 3.620 1.00 15.00 H new ATOM 0 HA THR A 11 1.069 0.832 5.495 1.00 15.00 H new ATOM 0 HB THR A 11 -0.478 -0.944 5.829 1.00 15.00 H new ATOM 0 HG1 THR A 11 0.193 -1.543 8.013 1.00 15.00 H new ATOM 0 HG21 THR A 11 0.137 -3.255 6.420 1.00 15.00 H new ATOM 0 HG22 THR A 11 0.504 -2.833 4.730 1.00 15.00 H new ATOM 0 HG23 THR A 11 1.814 -2.909 5.932 1.00 15.00 H new ATOM 194 N PRO A 12 3.637 0.727 5.305 1.00 15.00 N ATOM 195 CA PRO A 12 5.065 0.646 5.246 1.00 15.00 C ATOM 196 C PRO A 12 5.709 -0.017 6.463 1.00 15.00 C ATOM 197 O PRO A 12 5.039 -0.359 7.453 1.00 15.00 O ATOM 198 CB PRO A 12 5.535 2.083 5.043 1.00 15.00 C ATOM 199 CG PRO A 12 4.322 2.794 4.554 1.00 15.00 C ATOM 200 CD PRO A 12 3.172 2.121 5.231 1.00 15.00 C ATOM 0 HA PRO A 12 5.375 -0.008 4.431 1.00 15.00 H new ATOM 0 HB2 PRO A 12 5.904 2.517 5.972 1.00 15.00 H new ATOM 0 HB3 PRO A 12 6.349 2.138 4.320 1.00 15.00 H new ATOM 0 HG2 PRO A 12 4.360 3.854 4.804 1.00 15.00 H new ATOM 0 HG3 PRO A 12 4.236 2.725 3.470 1.00 15.00 H new ATOM 0 HD2 PRO A 12 2.978 2.540 6.218 1.00 15.00 H new ATOM 0 HD3 PRO A 12 2.249 2.214 4.658 1.00 15.00 H new ATOM 208 N GLU A 13 6.989 -0.198 6.389 1.00 15.00 N ATOM 209 CA GLU A 13 7.693 -0.848 7.433 1.00 15.00 C ATOM 210 C GLU A 13 8.219 0.277 8.335 1.00 15.00 C ATOM 211 O GLU A 13 7.793 1.430 8.196 1.00 15.00 O ATOM 212 CB GLU A 13 8.773 -1.793 6.856 1.00 15.00 C ATOM 213 CG GLU A 13 9.416 -2.757 7.856 1.00 15.00 C ATOM 214 CD GLU A 13 10.458 -3.626 7.223 1.00 15.00 C ATOM 215 OE1 GLU A 13 11.591 -3.179 7.049 1.00 15.00 O ATOM 216 OE2 GLU A 13 10.152 -4.796 6.886 1.00 15.00 O ATOM 0 H GLU A 13 7.568 0.101 5.604 1.00 15.00 H new ATOM 0 HA GLU A 13 7.070 -1.513 8.031 1.00 15.00 H new ATOM 0 HB2 GLU A 13 8.326 -2.378 6.052 1.00 15.00 H new ATOM 0 HB3 GLU A 13 9.559 -1.185 6.408 1.00 15.00 H new ATOM 0 HG2 GLU A 13 9.867 -2.186 8.668 1.00 15.00 H new ATOM 0 HG3 GLU A 13 8.643 -3.385 8.299 1.00 15.00 H new ATOM 223 N GLU A 14 9.144 0.001 9.186 1.00 15.00 N ATOM 224 CA GLU A 14 9.438 0.903 10.260 1.00 15.00 C ATOM 225 C GLU A 14 10.880 0.795 10.626 1.00 15.00 C ATOM 226 O GLU A 14 11.242 1.132 11.724 1.00 15.00 O ATOM 227 CB GLU A 14 8.568 0.633 11.503 1.00 15.00 C ATOM 228 CG GLU A 14 7.077 0.826 11.305 1.00 15.00 C ATOM 229 CD GLU A 14 6.295 0.549 12.548 1.00 15.00 C ATOM 230 OE1 GLU A 14 6.125 -0.637 12.898 1.00 15.00 O ATOM 231 OE2 GLU A 14 5.814 1.496 13.190 1.00 15.00 O ATOM 0 H GLU A 14 9.716 -0.843 9.165 1.00 15.00 H new ATOM 0 HA GLU A 14 9.212 1.911 9.912 1.00 15.00 H new ATOM 0 HB2 GLU A 14 8.744 -0.390 11.834 1.00 15.00 H new ATOM 0 HB3 GLU A 14 8.899 1.290 12.307 1.00 15.00 H new ATOM 0 HG2 GLU A 14 6.886 1.849 10.980 1.00 15.00 H new ATOM 0 HG3 GLU A 14 6.731 0.168 10.508 1.00 15.00 H new ATOM 238 N ALA A 15 11.746 0.406 9.710 1.00 15.00 N ATOM 239 CA ALA A 15 13.144 0.345 10.107 1.00 15.00 C ATOM 240 C ALA A 15 13.811 1.667 9.699 1.00 15.00 C ATOM 241 O ALA A 15 15.011 1.870 9.866 1.00 15.00 O ATOM 242 CB ALA A 15 13.872 -0.914 9.681 1.00 15.00 C ATOM 0 H ALA A 15 11.532 0.143 8.748 1.00 15.00 H new ATOM 0 HA ALA A 15 13.205 0.250 11.191 1.00 15.00 H new ATOM 0 HB1 ALA A 15 14.907 -0.869 10.021 1.00 15.00 H new ATOM 0 HB2 ALA A 15 13.383 -1.783 10.120 1.00 15.00 H new ATOM 0 HB3 ALA A 15 13.851 -0.997 8.594 1.00 15.00 H new ATOM 248 N LYS A 16 13.009 2.543 9.114 1.00 15.00 N ATOM 249 CA LYS A 16 13.408 3.908 8.944 1.00 15.00 C ATOM 250 C LYS A 16 12.981 4.634 10.224 1.00 15.00 C ATOM 251 O LYS A 16 13.796 5.240 10.902 1.00 15.00 O ATOM 252 CB LYS A 16 12.797 4.524 7.672 1.00 15.00 C ATOM 253 CG LYS A 16 13.311 5.924 7.343 1.00 15.00 C ATOM 254 CD LYS A 16 12.713 6.452 6.042 1.00 15.00 C ATOM 255 CE LYS A 16 13.293 7.814 5.674 1.00 15.00 C ATOM 256 NZ LYS A 16 12.856 8.261 4.337 1.00 15.00 N ATOM 0 H LYS A 16 12.081 2.321 8.753 1.00 15.00 H new ATOM 0 HA LYS A 16 14.485 3.997 8.800 1.00 15.00 H new ATOM 0 HB2 LYS A 16 13.004 3.866 6.828 1.00 15.00 H new ATOM 0 HB3 LYS A 16 11.714 4.565 7.786 1.00 15.00 H new ATOM 0 HG2 LYS A 16 13.065 6.603 8.159 1.00 15.00 H new ATOM 0 HG3 LYS A 16 14.398 5.903 7.262 1.00 15.00 H new ATOM 0 HD2 LYS A 16 12.907 5.743 5.237 1.00 15.00 H new ATOM 0 HD3 LYS A 16 11.631 6.531 6.143 1.00 15.00 H new ATOM 0 HE2 LYS A 16 12.990 8.550 6.419 1.00 15.00 H new ATOM 0 HE3 LYS A 16 14.381 7.763 5.701 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 13.100 9.264 4.209 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 13.333 7.693 3.608 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 11.827 8.142 4.250 1.00 15.00 H new ATOM 270 N ILE A 17 11.664 4.562 10.527 1.00 15.00 N ATOM 271 CA ILE A 17 11.077 4.986 11.823 1.00 15.00 C ATOM 272 C ILE A 17 11.885 4.507 13.031 1.00 15.00 C ATOM 273 O ILE A 17 12.202 5.296 13.918 1.00 15.00 O ATOM 274 CB ILE A 17 9.638 4.361 11.954 1.00 15.00 C ATOM 275 CG1 ILE A 17 8.726 4.767 10.769 1.00 15.00 C ATOM 276 CG2 ILE A 17 8.975 4.741 13.283 1.00 15.00 C ATOM 277 CD1 ILE A 17 8.596 6.265 10.548 1.00 15.00 C ATOM 0 H ILE A 17 10.969 4.204 9.872 1.00 15.00 H new ATOM 0 HA ILE A 17 11.067 6.076 11.823 1.00 15.00 H new ATOM 0 HB ILE A 17 9.766 3.279 11.931 1.00 15.00 H new ATOM 0 HG12 ILE A 17 9.114 4.312 9.858 1.00 15.00 H new ATOM 0 HG13 ILE A 17 7.732 4.351 10.935 1.00 15.00 H new ATOM 0 HG21 ILE A 17 7.984 4.291 13.337 1.00 15.00 H new ATOM 0 HG22 ILE A 17 9.584 4.377 14.111 1.00 15.00 H new ATOM 0 HG23 ILE A 17 8.885 5.825 13.348 1.00 15.00 H new ATOM 0 HD11 ILE A 17 7.939 6.452 9.698 1.00 15.00 H new ATOM 0 HD12 ILE A 17 8.176 6.729 11.440 1.00 15.00 H new ATOM 0 HD13 ILE A 17 9.579 6.690 10.347 1.00 15.00 H new ATOM 289 N VAL A 18 12.227 3.262 13.071 1.00 15.00 N ATOM 290 CA VAL A 18 13.017 2.768 14.154 1.00 15.00 C ATOM 291 C VAL A 18 14.458 2.770 13.691 1.00 15.00 C ATOM 292 O VAL A 18 14.787 2.179 12.684 1.00 15.00 O ATOM 293 CB VAL A 18 12.561 1.336 14.594 1.00 15.00 C ATOM 294 CG1 VAL A 18 13.357 0.840 15.783 1.00 15.00 C ATOM 295 CG2 VAL A 18 11.075 1.326 14.936 1.00 15.00 C ATOM 0 H VAL A 18 11.973 2.567 12.368 1.00 15.00 H new ATOM 0 HA VAL A 18 12.896 3.404 15.031 1.00 15.00 H new ATOM 0 HB VAL A 18 12.743 0.666 13.753 1.00 15.00 H new ATOM 0 HG11 VAL A 18 13.013 -0.156 16.061 1.00 15.00 H new ATOM 0 HG12 VAL A 18 14.414 0.800 15.522 1.00 15.00 H new ATOM 0 HG13 VAL A 18 13.217 1.519 16.624 1.00 15.00 H new ATOM 0 HG21 VAL A 18 10.778 0.322 15.239 1.00 15.00 H new ATOM 0 HG22 VAL A 18 10.885 2.023 15.752 1.00 15.00 H new ATOM 0 HG23 VAL A 18 10.498 1.626 14.061 1.00 15.00 H new ATOM 305 N GLN A 19 15.276 3.484 14.424 1.00 15.00 N ATOM 306 CA GLN A 19 16.706 3.750 14.188 1.00 15.00 C ATOM 307 C GLN A 19 16.914 5.145 13.614 1.00 15.00 C ATOM 308 O GLN A 19 17.434 6.006 14.336 1.00 15.00 O ATOM 309 CB GLN A 19 17.619 2.661 13.577 1.00 15.00 C ATOM 310 CG GLN A 19 18.089 1.540 14.499 1.00 15.00 C ATOM 311 CD GLN A 19 16.981 0.739 15.110 1.00 15.00 C ATOM 312 OE1 GLN A 19 16.509 1.040 16.210 1.00 15.00 O ATOM 313 NE2 GLN A 19 16.548 -0.268 14.416 1.00 15.00 N ATOM 0 H GLN A 19 14.949 3.939 15.276 1.00 15.00 H new ATOM 0 HA GLN A 19 17.109 3.698 15.199 1.00 15.00 H new ATOM 0 HB2 GLN A 19 17.089 2.208 12.739 1.00 15.00 H new ATOM 0 HB3 GLN A 19 18.501 3.152 13.167 1.00 15.00 H new ATOM 0 HG2 GLN A 19 18.738 0.870 13.935 1.00 15.00 H new ATOM 0 HG3 GLN A 19 18.693 1.971 15.297 1.00 15.00 H new ATOM 0 HE21 GLN A 19 16.967 -0.481 13.511 1.00 15.00 H new ATOM 0 HE22 GLN A 19 15.789 -0.846 14.776 1.00 15.00 H new ATOM 322 N TYR A 20 16.499 5.400 12.377 1.00 15.00 N ATOM 323 CA TYR A 20 16.672 6.748 11.815 1.00 15.00 C ATOM 324 C TYR A 20 15.863 7.849 12.523 1.00 15.00 C ATOM 325 O TYR A 20 16.449 8.638 13.249 1.00 15.00 O ATOM 326 CB TYR A 20 16.469 6.819 10.305 1.00 15.00 C ATOM 327 CG TYR A 20 17.489 6.086 9.454 1.00 15.00 C ATOM 328 CD1 TYR A 20 18.847 6.366 9.559 1.00 15.00 C ATOM 329 CD2 TYR A 20 17.088 5.158 8.504 1.00 15.00 C ATOM 330 CE1 TYR A 20 19.770 5.736 8.748 1.00 15.00 C ATOM 331 CE2 TYR A 20 18.004 4.518 7.696 1.00 15.00 C ATOM 332 CZ TYR A 20 19.342 4.811 7.821 1.00 15.00 C ATOM 333 OH TYR A 20 20.257 4.192 6.996 1.00 15.00 O ATOM 0 H TYR A 20 16.055 4.722 11.758 1.00 15.00 H new ATOM 0 HA TYR A 20 17.723 6.957 12.015 1.00 15.00 H new ATOM 0 HB2 TYR A 20 15.481 6.421 10.074 1.00 15.00 H new ATOM 0 HB3 TYR A 20 16.467 7.868 10.009 1.00 15.00 H new ATOM 0 HD1 TYR A 20 19.185 7.088 10.287 1.00 15.00 H new ATOM 0 HD2 TYR A 20 16.037 4.932 8.395 1.00 15.00 H new ATOM 0 HE1 TYR A 20 20.821 5.967 8.840 1.00 15.00 H new ATOM 0 HE2 TYR A 20 17.673 3.791 6.969 1.00 15.00 H new ATOM 0 HH TYR A 20 19.791 3.567 6.402 1.00 15.00 H new ATOM 343 N GLU A 21 14.522 7.920 12.300 1.00 15.00 N ATOM 344 CA GLU A 21 13.644 8.973 12.922 1.00 15.00 C ATOM 345 C GLU A 21 13.782 8.992 14.469 1.00 15.00 C ATOM 346 O GLU A 21 13.632 9.999 15.150 1.00 15.00 O ATOM 347 CB GLU A 21 12.164 8.612 12.635 1.00 15.00 C ATOM 348 CG GLU A 21 11.815 8.243 11.181 1.00 15.00 C ATOM 349 CD GLU A 21 12.304 9.188 10.111 1.00 15.00 C ATOM 350 OE1 GLU A 21 11.996 10.389 10.144 1.00 15.00 O ATOM 351 OE2 GLU A 21 13.004 8.709 9.206 1.00 15.00 O ATOM 0 H GLU A 21 14.019 7.268 11.698 1.00 15.00 H new ATOM 0 HA GLU A 21 13.940 9.936 12.506 1.00 15.00 H new ATOM 0 HB2 GLU A 21 11.887 7.774 13.275 1.00 15.00 H new ATOM 0 HB3 GLU A 21 11.543 9.458 12.930 1.00 15.00 H new ATOM 0 HG2 GLU A 21 12.221 7.253 10.973 1.00 15.00 H new ATOM 0 HG3 GLU A 21 10.731 8.167 11.099 1.00 15.00 H new ATOM 358 N LEU A 22 14.113 7.821 14.939 1.00 15.00 N ATOM 359 CA LEU A 22 14.187 7.429 16.328 1.00 15.00 C ATOM 360 C LEU A 22 15.402 8.042 16.978 1.00 15.00 C ATOM 361 O LEU A 22 15.358 8.319 18.164 1.00 15.00 O ATOM 362 CB LEU A 22 14.259 5.904 16.448 1.00 15.00 C ATOM 363 CG LEU A 22 14.212 5.332 17.876 1.00 15.00 C ATOM 364 CD1 LEU A 22 12.880 5.648 18.544 1.00 15.00 C ATOM 365 CD2 LEU A 22 14.444 3.836 17.856 1.00 15.00 C ATOM 0 H LEU A 22 14.358 7.052 14.315 1.00 15.00 H new ATOM 0 HA LEU A 22 13.290 7.785 16.834 1.00 15.00 H new ATOM 0 HB2 LEU A 22 13.433 5.476 15.880 1.00 15.00 H new ATOM 0 HB3 LEU A 22 15.180 5.566 15.974 1.00 15.00 H new ATOM 0 HG LEU A 22 15.007 5.803 18.454 1.00 15.00 H new ATOM 0 HD11 LEU A 22 12.871 5.233 19.552 1.00 15.00 H new ATOM 0 HD12 LEU A 22 12.746 6.729 18.595 1.00 15.00 H new ATOM 0 HD13 LEU A 22 12.069 5.209 17.964 1.00 15.00 H new ATOM 0 HD21 LEU A 22 14.407 3.448 18.874 1.00 15.00 H new ATOM 0 HD22 LEU A 22 13.670 3.356 17.257 1.00 15.00 H new ATOM 0 HD23 LEU A 22 15.422 3.625 17.423 1.00 15.00 H new ATOM 377 N SER A 23 16.516 8.166 16.264 1.00 15.00 N ATOM 378 CA SER A 23 17.713 8.823 16.830 1.00 15.00 C ATOM 379 C SER A 23 17.429 10.129 17.683 1.00 15.00 C ATOM 380 O SER A 23 18.088 10.351 18.712 1.00 15.00 O ATOM 381 CB SER A 23 18.719 9.094 15.690 1.00 15.00 C ATOM 382 OG SER A 23 19.967 9.560 16.165 1.00 15.00 O ATOM 0 H SER A 23 16.626 7.830 15.307 1.00 15.00 H new ATOM 0 HA SER A 23 18.135 8.130 17.558 1.00 15.00 H new ATOM 0 HB2 SER A 23 18.871 8.178 15.119 1.00 15.00 H new ATOM 0 HB3 SER A 23 18.297 9.830 15.006 1.00 15.00 H new ATOM 0 HG SER A 23 20.568 9.715 15.407 1.00 15.00 H new ATOM 388 N THR A 24 16.450 10.941 17.297 1.00 15.00 N ATOM 389 CA THR A 24 16.143 12.175 18.025 1.00 15.00 C ATOM 390 C THR A 24 14.845 12.050 18.875 1.00 15.00 C ATOM 391 O THR A 24 14.169 13.042 19.204 1.00 15.00 O ATOM 392 CB THR A 24 16.146 13.386 17.067 1.00 15.00 C ATOM 393 OG1 THR A 24 15.257 13.170 15.967 1.00 15.00 O ATOM 394 CG2 THR A 24 17.558 13.603 16.529 1.00 15.00 C ATOM 0 H THR A 24 15.855 10.771 16.486 1.00 15.00 H new ATOM 0 HA THR A 24 16.936 12.351 18.752 1.00 15.00 H new ATOM 0 HB THR A 24 15.812 14.263 17.621 1.00 15.00 H new ATOM 0 HG1 THR A 24 15.598 13.636 15.175 1.00 15.00 H new ATOM 0 HG21 THR A 24 17.562 14.458 15.852 1.00 15.00 H new ATOM 0 HG22 THR A 24 18.238 13.794 17.359 1.00 15.00 H new ATOM 0 HG23 THR A 24 17.883 12.713 15.991 1.00 15.00 H new ATOM 402 N ARG A 25 14.613 10.790 19.279 1.00 15.00 N ATOM 403 CA ARG A 25 13.465 10.271 20.076 1.00 15.00 C ATOM 404 C ARG A 25 12.706 11.297 20.975 1.00 15.00 C ATOM 405 O ARG A 25 11.609 11.645 20.630 1.00 15.00 O ATOM 406 CB ARG A 25 13.905 9.022 20.868 1.00 15.00 C ATOM 407 CG ARG A 25 15.246 9.191 21.584 1.00 15.00 C ATOM 408 CD ARG A 25 15.669 7.954 22.337 1.00 15.00 C ATOM 409 NE ARG A 25 14.786 7.654 23.469 1.00 15.00 N ATOM 410 CZ ARG A 25 15.105 6.836 24.485 1.00 15.00 C ATOM 411 NH1 ARG A 25 16.277 6.200 24.486 1.00 15.00 N ATOM 412 NH2 ARG A 25 14.256 6.661 25.490 1.00 15.00 N ATOM 0 H ARG A 25 15.267 10.043 19.044 1.00 15.00 H new ATOM 0 HA ARG A 25 12.707 10.010 19.337 1.00 15.00 H new ATOM 0 HB2 ARG A 25 13.138 8.780 21.604 1.00 15.00 H new ATOM 0 HB3 ARG A 25 13.971 8.174 20.186 1.00 15.00 H new ATOM 0 HG2 ARG A 25 16.013 9.445 20.853 1.00 15.00 H new ATOM 0 HG3 ARG A 25 15.178 10.028 22.279 1.00 15.00 H new ATOM 0 HD2 ARG A 25 15.681 7.104 21.655 1.00 15.00 H new ATOM 0 HD3 ARG A 25 16.688 8.085 22.701 1.00 15.00 H new ATOM 0 HE ARG A 25 13.867 8.097 23.486 1.00 15.00 H new ATOM 0 HH11 ARG A 25 16.931 6.335 23.715 1.00 15.00 H new ATOM 0 HH12 ARG A 25 16.519 5.579 25.258 1.00 15.00 H new ATOM 0 HH21 ARG A 25 13.360 7.148 25.491 1.00 15.00 H new ATOM 0 HH22 ARG A 25 14.500 6.039 26.261 1.00 15.00 H new ATOM 426 N ASP A 26 13.250 11.630 22.176 1.00 15.00 N ATOM 427 CA ASP A 26 12.714 12.707 23.116 1.00 15.00 C ATOM 428 C ASP A 26 11.758 13.697 22.428 1.00 15.00 C ATOM 429 O ASP A 26 10.545 13.637 22.609 1.00 15.00 O ATOM 430 CB ASP A 26 13.868 13.528 23.738 1.00 15.00 C ATOM 431 CG ASP A 26 14.799 12.766 24.649 1.00 15.00 C ATOM 432 OD1 ASP A 26 15.122 11.587 24.371 1.00 15.00 O ATOM 433 OD2 ASP A 26 15.272 13.353 25.645 1.00 15.00 O ATOM 0 H ASP A 26 14.082 11.166 22.542 1.00 15.00 H new ATOM 0 HA ASP A 26 12.162 12.163 23.883 1.00 15.00 H new ATOM 0 HB2 ASP A 26 14.456 13.963 22.930 1.00 15.00 H new ATOM 0 HB3 ASP A 26 13.437 14.357 24.300 1.00 15.00 H new ATOM 438 N GLU A 27 12.331 14.605 21.691 1.00 15.00 N ATOM 439 CA GLU A 27 11.689 15.549 20.830 1.00 15.00 C ATOM 440 C GLU A 27 10.855 14.954 19.698 1.00 15.00 C ATOM 441 O GLU A 27 9.741 15.433 19.438 1.00 15.00 O ATOM 442 CB GLU A 27 12.937 16.241 20.216 1.00 15.00 C ATOM 443 CG GLU A 27 13.718 16.973 21.337 1.00 15.00 C ATOM 444 CD GLU A 27 14.956 17.680 20.907 1.00 15.00 C ATOM 445 OE1 GLU A 27 14.937 18.362 19.894 1.00 15.00 O ATOM 446 OE2 GLU A 27 15.968 17.599 21.621 1.00 15.00 O ATOM 0 H GLU A 27 13.345 14.710 21.678 1.00 15.00 H new ATOM 0 HA GLU A 27 10.971 16.163 21.373 1.00 15.00 H new ATOM 0 HB2 GLU A 27 13.577 15.502 19.734 1.00 15.00 H new ATOM 0 HB3 GLU A 27 12.632 16.950 19.446 1.00 15.00 H new ATOM 0 HG2 GLU A 27 13.052 17.698 21.805 1.00 15.00 H new ATOM 0 HG3 GLU A 27 13.985 16.245 22.103 1.00 15.00 H new ATOM 453 N PHE A 28 11.394 13.977 18.982 1.00 15.00 N ATOM 454 CA PHE A 28 10.590 13.245 17.972 1.00 15.00 C ATOM 455 C PHE A 28 9.327 12.548 18.549 1.00 15.00 C ATOM 456 O PHE A 28 9.370 11.438 19.100 1.00 15.00 O ATOM 457 CB PHE A 28 11.432 12.283 17.107 1.00 15.00 C ATOM 458 CG PHE A 28 10.602 11.435 16.165 1.00 15.00 C ATOM 459 CD1 PHE A 28 9.961 11.998 15.077 1.00 15.00 C ATOM 460 CD2 PHE A 28 10.463 10.068 16.383 1.00 15.00 C ATOM 461 CE1 PHE A 28 9.196 11.221 14.225 1.00 15.00 C ATOM 462 CE2 PHE A 28 9.702 9.288 15.534 1.00 15.00 C ATOM 463 CZ PHE A 28 9.066 9.866 14.453 1.00 15.00 C ATOM 0 H PHE A 28 12.362 13.666 19.067 1.00 15.00 H new ATOM 0 HA PHE A 28 10.220 14.026 17.308 1.00 15.00 H new ATOM 0 HB2 PHE A 28 12.149 12.863 16.525 1.00 15.00 H new ATOM 0 HB3 PHE A 28 12.008 11.628 17.761 1.00 15.00 H new ATOM 0 HD1 PHE A 28 10.059 13.057 14.890 1.00 15.00 H new ATOM 0 HD2 PHE A 28 10.957 9.610 17.227 1.00 15.00 H new ATOM 0 HE1 PHE A 28 8.700 11.676 13.380 1.00 15.00 H new ATOM 0 HE2 PHE A 28 9.605 8.228 15.715 1.00 15.00 H new ATOM 0 HZ PHE A 28 8.469 9.260 13.788 1.00 15.00 H new ATOM 473 N TYR A 29 8.212 13.208 18.383 1.00 15.00 N ATOM 474 CA TYR A 29 6.941 12.693 18.798 1.00 15.00 C ATOM 475 C TYR A 29 5.917 12.874 17.695 1.00 15.00 C ATOM 476 O TYR A 29 5.178 11.941 17.365 1.00 15.00 O ATOM 477 CB TYR A 29 6.486 13.360 20.107 1.00 15.00 C ATOM 478 CG TYR A 29 5.126 12.921 20.598 1.00 15.00 C ATOM 479 CD1 TYR A 29 4.952 11.694 21.202 1.00 15.00 C ATOM 480 CD2 TYR A 29 4.023 13.752 20.472 1.00 15.00 C ATOM 481 CE1 TYR A 29 3.722 11.295 21.667 1.00 15.00 C ATOM 482 CE2 TYR A 29 2.787 13.362 20.932 1.00 15.00 C ATOM 483 CZ TYR A 29 2.641 12.131 21.528 1.00 15.00 C ATOM 484 OH TYR A 29 1.407 11.742 22.006 1.00 15.00 O ATOM 0 H TYR A 29 8.164 14.130 17.950 1.00 15.00 H new ATOM 0 HA TYR A 29 7.040 11.625 18.992 1.00 15.00 H new ATOM 0 HB2 TYR A 29 7.223 13.149 20.882 1.00 15.00 H new ATOM 0 HB3 TYR A 29 6.475 14.440 19.964 1.00 15.00 H new ATOM 0 HD1 TYR A 29 5.799 11.033 21.312 1.00 15.00 H new ATOM 0 HD2 TYR A 29 4.136 14.720 20.006 1.00 15.00 H new ATOM 0 HE1 TYR A 29 3.606 10.330 22.139 1.00 15.00 H new ATOM 0 HE2 TYR A 29 1.936 14.018 20.826 1.00 15.00 H new ATOM 0 HH TYR A 29 0.750 12.448 21.829 1.00 15.00 H new ATOM 494 N ARG A 30 5.809 14.106 17.202 1.00 15.00 N ATOM 495 CA ARG A 30 4.908 14.395 16.095 1.00 15.00 C ATOM 496 C ARG A 30 5.225 13.498 14.870 1.00 15.00 C ATOM 497 O ARG A 30 6.391 13.361 14.500 1.00 15.00 O ATOM 498 CB ARG A 30 5.021 15.852 15.686 1.00 15.00 C ATOM 499 CG ARG A 30 3.876 16.331 14.798 1.00 15.00 C ATOM 500 CD ARG A 30 2.589 16.623 15.581 1.00 15.00 C ATOM 501 NE ARG A 30 1.992 15.468 16.299 1.00 15.00 N ATOM 502 CZ ARG A 30 0.964 15.579 17.161 1.00 15.00 C ATOM 503 NH1 ARG A 30 0.377 16.763 17.352 1.00 15.00 N ATOM 504 NH2 ARG A 30 0.509 14.507 17.796 1.00 15.00 N ATOM 0 H ARG A 30 6.330 14.911 17.549 1.00 15.00 H new ATOM 0 HA ARG A 30 3.893 14.188 16.433 1.00 15.00 H new ATOM 0 HB2 ARG A 30 5.056 16.470 16.583 1.00 15.00 H new ATOM 0 HB3 ARG A 30 5.964 16.000 15.159 1.00 15.00 H new ATOM 0 HG2 ARG A 30 4.186 17.233 14.271 1.00 15.00 H new ATOM 0 HG3 ARG A 30 3.670 15.574 14.041 1.00 15.00 H new ATOM 0 HD2 ARG A 30 2.798 17.409 16.307 1.00 15.00 H new ATOM 0 HD3 ARG A 30 1.847 17.019 14.888 1.00 15.00 H new ATOM 0 HE ARG A 30 2.382 14.541 16.130 1.00 15.00 H new ATOM 0 HH11 ARG A 30 0.707 17.584 16.845 1.00 15.00 H new ATOM 0 HH12 ARG A 30 -0.402 16.847 18.005 1.00 15.00 H new ATOM 0 HH21 ARG A 30 0.938 13.596 17.632 1.00 15.00 H new ATOM 0 HH22 ARG A 30 -0.270 14.593 18.449 1.00 15.00 H new ATOM 518 N VAL A 31 4.184 12.902 14.278 1.00 15.00 N ATOM 519 CA VAL A 31 4.305 11.977 13.135 1.00 15.00 C ATOM 520 C VAL A 31 3.364 12.385 11.968 1.00 15.00 C ATOM 521 O VAL A 31 3.801 13.010 11.044 1.00 15.00 O ATOM 522 CB VAL A 31 3.971 10.502 13.566 1.00 15.00 C ATOM 523 CG1 VAL A 31 4.146 9.540 12.406 1.00 15.00 C ATOM 524 CG2 VAL A 31 4.837 10.056 14.734 1.00 15.00 C ATOM 0 H VAL A 31 3.220 13.047 14.579 1.00 15.00 H new ATOM 0 HA VAL A 31 5.339 12.033 12.793 1.00 15.00 H new ATOM 0 HB VAL A 31 2.928 10.490 13.881 1.00 15.00 H new ATOM 0 HG11 VAL A 31 3.908 8.528 12.734 1.00 15.00 H new ATOM 0 HG12 VAL A 31 3.478 9.825 11.593 1.00 15.00 H new ATOM 0 HG13 VAL A 31 5.178 9.575 12.057 1.00 15.00 H new ATOM 0 HG21 VAL A 31 4.581 9.032 15.007 1.00 15.00 H new ATOM 0 HG22 VAL A 31 5.887 10.103 14.447 1.00 15.00 H new ATOM 0 HG23 VAL A 31 4.664 10.713 15.587 1.00 15.00 H new ATOM 534 N PHE A 32 2.077 12.033 12.057 1.00 15.00 N ATOM 535 CA PHE A 32 1.057 12.310 11.005 1.00 15.00 C ATOM 536 C PHE A 32 1.473 11.924 9.587 1.00 15.00 C ATOM 537 O PHE A 32 1.993 12.741 8.837 1.00 15.00 O ATOM 538 CB PHE A 32 0.510 13.743 11.041 1.00 15.00 C ATOM 539 CG PHE A 32 -0.404 14.027 12.193 1.00 15.00 C ATOM 540 CD1 PHE A 32 -1.749 13.707 12.103 1.00 15.00 C ATOM 541 CD2 PHE A 32 0.063 14.611 13.350 1.00 15.00 C ATOM 542 CE1 PHE A 32 -2.610 13.964 13.148 1.00 15.00 C ATOM 543 CE2 PHE A 32 -0.796 14.872 14.398 1.00 15.00 C ATOM 544 CZ PHE A 32 -2.133 14.548 14.298 1.00 15.00 C ATOM 0 H PHE A 32 1.696 11.541 12.866 1.00 15.00 H new ATOM 0 HA PHE A 32 0.243 11.638 11.276 1.00 15.00 H new ATOM 0 HB2 PHE A 32 1.349 14.438 11.078 1.00 15.00 H new ATOM 0 HB3 PHE A 32 -0.025 13.938 10.112 1.00 15.00 H new ATOM 0 HD1 PHE A 32 -2.128 13.250 11.201 1.00 15.00 H new ATOM 0 HD2 PHE A 32 1.109 14.866 13.437 1.00 15.00 H new ATOM 0 HE1 PHE A 32 -3.656 13.708 13.064 1.00 15.00 H new ATOM 0 HE2 PHE A 32 -0.420 15.332 15.300 1.00 15.00 H new ATOM 0 HZ PHE A 32 -2.803 14.752 15.120 1.00 15.00 H new ATOM 554 N ILE A 33 1.248 10.664 9.248 1.00 15.00 N ATOM 555 CA ILE A 33 1.544 10.147 7.912 1.00 15.00 C ATOM 556 C ILE A 33 0.317 9.414 7.391 1.00 15.00 C ATOM 557 O ILE A 33 -0.589 9.112 8.183 1.00 15.00 O ATOM 558 CB ILE A 33 2.762 9.130 7.874 1.00 15.00 C ATOM 559 CG1 ILE A 33 2.443 7.738 8.534 1.00 15.00 C ATOM 560 CG2 ILE A 33 4.014 9.739 8.495 1.00 15.00 C ATOM 561 CD1 ILE A 33 2.129 7.735 10.023 1.00 15.00 C ATOM 0 H ILE A 33 0.857 9.970 9.885 1.00 15.00 H new ATOM 0 HA ILE A 33 1.814 11.008 7.300 1.00 15.00 H new ATOM 0 HB ILE A 33 2.947 8.937 6.817 1.00 15.00 H new ATOM 0 HG12 ILE A 33 1.595 7.300 8.008 1.00 15.00 H new ATOM 0 HG13 ILE A 33 3.296 7.080 8.366 1.00 15.00 H new ATOM 0 HG21 ILE A 33 4.829 9.017 8.453 1.00 15.00 H new ATOM 0 HG22 ILE A 33 4.295 10.636 7.943 1.00 15.00 H new ATOM 0 HG23 ILE A 33 3.814 10.001 9.534 1.00 15.00 H new ATOM 0 HD11 ILE A 33 1.928 6.715 10.350 1.00 15.00 H new ATOM 0 HD12 ILE A 33 2.981 8.132 10.575 1.00 15.00 H new ATOM 0 HD13 ILE A 33 1.253 8.356 10.211 1.00 15.00 H new ATOM 573 N ASN A 34 0.235 9.155 6.084 1.00 15.00 N ATOM 574 CA ASN A 34 -0.739 8.247 5.591 1.00 15.00 C ATOM 575 C ASN A 34 -0.049 6.916 5.521 1.00 15.00 C ATOM 576 O ASN A 34 0.841 6.726 4.719 1.00 15.00 O ATOM 577 CB ASN A 34 -1.253 8.559 4.163 1.00 15.00 C ATOM 578 CG ASN A 34 -2.096 9.811 3.931 1.00 15.00 C ATOM 579 OD1 ASN A 34 -2.917 9.839 3.021 1.00 15.00 O ATOM 580 ND2 ASN A 34 -1.907 10.836 4.674 1.00 15.00 N ATOM 0 H ASN A 34 0.837 9.570 5.373 1.00 15.00 H new ATOM 0 HA ASN A 34 -1.605 8.296 6.252 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -0.384 8.623 3.508 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -1.840 7.702 3.831 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -2.443 11.689 4.512 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -1.221 10.800 5.428 1.00 15.00 H new ATOM 587 N PRO A 35 -0.355 5.990 6.404 1.00 15.00 N ATOM 588 CA PRO A 35 0.233 4.674 6.361 1.00 15.00 C ATOM 589 C PRO A 35 -0.708 3.735 5.637 1.00 15.00 C ATOM 590 O PRO A 35 -0.714 2.521 5.864 1.00 15.00 O ATOM 591 CB PRO A 35 0.328 4.313 7.846 1.00 15.00 C ATOM 592 CG PRO A 35 -0.796 5.058 8.513 1.00 15.00 C ATOM 593 CD PRO A 35 -1.277 6.121 7.545 1.00 15.00 C ATOM 0 HA PRO A 35 1.191 4.618 5.845 1.00 15.00 H new ATOM 0 HB2 PRO A 35 0.230 3.238 7.996 1.00 15.00 H new ATOM 0 HB3 PRO A 35 1.293 4.605 8.260 1.00 15.00 H new ATOM 0 HG2 PRO A 35 -1.608 4.377 8.769 1.00 15.00 H new ATOM 0 HG3 PRO A 35 -0.456 5.513 9.443 1.00 15.00 H new ATOM 0 HD2 PRO A 35 -2.312 5.953 7.246 1.00 15.00 H new ATOM 0 HD3 PRO A 35 -1.230 7.117 7.986 1.00 15.00 H new ATOM 601 N TYR A 36 -1.481 4.302 4.737 1.00 15.00 N ATOM 602 CA TYR A 36 -2.547 3.598 4.138 1.00 15.00 C ATOM 603 C TYR A 36 -2.598 3.953 2.676 1.00 15.00 C ATOM 604 O TYR A 36 -2.472 5.135 2.308 1.00 15.00 O ATOM 605 CB TYR A 36 -3.873 3.896 4.861 1.00 15.00 C ATOM 606 CG TYR A 36 -5.070 3.098 4.381 1.00 15.00 C ATOM 607 CD1 TYR A 36 -5.372 1.872 4.944 1.00 15.00 C ATOM 608 CD2 TYR A 36 -5.892 3.571 3.367 1.00 15.00 C ATOM 609 CE1 TYR A 36 -6.455 1.138 4.510 1.00 15.00 C ATOM 610 CE2 TYR A 36 -6.977 2.842 2.931 1.00 15.00 C ATOM 611 CZ TYR A 36 -7.253 1.628 3.506 1.00 15.00 C ATOM 612 OH TYR A 36 -8.331 0.886 3.060 1.00 15.00 O ATOM 0 H TYR A 36 -1.373 5.263 4.413 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.385 2.524 4.227 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.736 3.709 5.926 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.097 4.957 4.750 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -4.750 1.483 5.736 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.677 4.527 2.912 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -6.675 0.180 4.958 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.606 3.224 2.141 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.793 1.375 2.347 1.00 15.00 H new ATOM 622 N ALA A 37 -2.744 2.916 1.885 1.00 15.00 N ATOM 623 CA ALA A 37 -2.877 2.947 0.450 1.00 15.00 C ATOM 624 C ALA A 37 -2.050 4.000 -0.273 1.00 15.00 C ATOM 625 O ALA A 37 -2.588 4.993 -0.758 1.00 15.00 O ATOM 626 CB ALA A 37 -4.332 2.976 0.021 1.00 15.00 C ATOM 0 H ALA A 37 -2.775 1.965 2.253 1.00 15.00 H new ATOM 0 HA ALA A 37 -2.435 2.005 0.125 1.00 15.00 H new ATOM 0 HB1 ALA A 37 -4.390 2.999 -1.067 1.00 15.00 H new ATOM 0 HB2 ALA A 37 -4.839 2.085 0.393 1.00 15.00 H new ATOM 0 HB3 ALA A 37 -4.814 3.865 0.429 1.00 15.00 H new ATOM 632 N LYS A 38 -0.723 3.812 -0.244 1.00 15.00 N ATOM 633 CA LYS A 38 0.246 4.535 -1.096 1.00 15.00 C ATOM 634 C LYS A 38 0.178 6.069 -1.126 1.00 15.00 C ATOM 635 O LYS A 38 0.591 6.678 -2.119 1.00 15.00 O ATOM 636 CB LYS A 38 0.264 3.945 -2.546 1.00 15.00 C ATOM 637 CG LYS A 38 -1.051 4.095 -3.305 1.00 15.00 C ATOM 638 CD LYS A 38 -1.050 3.405 -4.649 1.00 15.00 C ATOM 639 CE LYS A 38 -2.390 3.598 -5.358 1.00 15.00 C ATOM 640 NZ LYS A 38 -3.525 3.068 -4.558 1.00 15.00 N ATOM 0 H LYS A 38 -0.279 3.141 0.383 1.00 15.00 H new ATOM 0 HA LYS A 38 1.192 4.352 -0.587 1.00 15.00 H new ATOM 0 HB2 LYS A 38 1.055 4.434 -3.114 1.00 15.00 H new ATOM 0 HB3 LYS A 38 0.519 2.887 -2.491 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -1.861 3.690 -2.698 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -1.260 5.155 -3.449 1.00 15.00 H new ATOM 0 HD2 LYS A 38 -0.246 3.804 -5.267 1.00 15.00 H new ATOM 0 HD3 LYS A 38 -0.853 2.341 -4.517 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -2.548 4.659 -5.552 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -2.364 3.097 -6.326 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -4.185 2.564 -5.184 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -3.164 2.413 -3.835 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -4.021 3.856 -4.094 1.00 15.00 H new ATOM 654 N VAL A 39 -0.276 6.692 -0.104 1.00 15.00 N ATOM 655 CA VAL A 39 -0.216 8.142 -0.009 1.00 15.00 C ATOM 656 C VAL A 39 0.354 8.419 1.352 1.00 15.00 C ATOM 657 O VAL A 39 0.357 7.504 2.138 1.00 15.00 O ATOM 658 CB VAL A 39 -1.637 8.805 -0.123 1.00 15.00 C ATOM 659 CG1 VAL A 39 -1.540 10.326 -0.108 1.00 15.00 C ATOM 660 CG2 VAL A 39 -2.367 8.348 -1.376 1.00 15.00 C ATOM 0 H VAL A 39 -0.703 6.233 0.701 1.00 15.00 H new ATOM 0 HA VAL A 39 0.382 8.555 -0.822 1.00 15.00 H new ATOM 0 HB VAL A 39 -2.209 8.482 0.747 1.00 15.00 H new ATOM 0 HG11 VAL A 39 -2.539 10.755 -0.188 1.00 15.00 H new ATOM 0 HG12 VAL A 39 -1.079 10.652 0.824 1.00 15.00 H new ATOM 0 HG13 VAL A 39 -0.933 10.660 -0.949 1.00 15.00 H new ATOM 0 HG21 VAL A 39 -3.345 8.826 -1.422 1.00 15.00 H new ATOM 0 HG22 VAL A 39 -1.787 8.624 -2.256 1.00 15.00 H new ATOM 0 HG23 VAL A 39 -2.493 7.266 -1.349 1.00 15.00 H new ATOM 670 N ALA A 40 1.001 9.567 1.561 1.00 15.00 N ATOM 671 CA ALA A 40 1.452 10.032 2.853 1.00 15.00 C ATOM 672 C ALA A 40 1.834 11.511 2.844 1.00 15.00 C ATOM 673 O ALA A 40 2.146 12.084 1.802 1.00 15.00 O ATOM 674 CB ALA A 40 2.640 9.220 3.312 1.00 15.00 C ATOM 0 H ALA A 40 1.228 10.212 0.804 1.00 15.00 H new ATOM 0 HA ALA A 40 0.616 9.906 3.541 1.00 15.00 H new ATOM 0 HB1 ALA A 40 2.971 9.579 4.286 1.00 15.00 H new ATOM 0 HB2 ALA A 40 2.355 8.171 3.389 1.00 15.00 H new ATOM 0 HB3 ALA A 40 3.452 9.324 2.592 1.00 15.00 H new ATOM 680 N GLU A 41 1.790 12.079 4.021 1.00 15.00 N ATOM 681 CA GLU A 41 2.336 13.369 4.339 1.00 15.00 C ATOM 682 C GLU A 41 3.199 13.043 5.514 1.00 15.00 C ATOM 683 O GLU A 41 2.922 12.057 6.176 1.00 15.00 O ATOM 684 CB GLU A 41 1.287 14.468 4.704 1.00 15.00 C ATOM 685 CG GLU A 41 0.547 14.324 6.043 1.00 15.00 C ATOM 686 CD GLU A 41 -0.601 13.362 6.022 1.00 15.00 C ATOM 687 OE1 GLU A 41 -1.736 13.792 5.679 1.00 15.00 O ATOM 688 OE2 GLU A 41 -0.422 12.178 6.361 1.00 15.00 O ATOM 0 H GLU A 41 1.349 11.629 4.824 1.00 15.00 H new ATOM 0 HA GLU A 41 2.844 13.812 3.482 1.00 15.00 H new ATOM 0 HB2 GLU A 41 1.795 15.432 4.702 1.00 15.00 H new ATOM 0 HB3 GLU A 41 0.542 14.499 3.909 1.00 15.00 H new ATOM 0 HG2 GLU A 41 1.259 14.003 6.804 1.00 15.00 H new ATOM 0 HG3 GLU A 41 0.177 15.304 6.346 1.00 15.00 H new ATOM 695 N VAL A 42 4.284 13.716 5.710 1.00 15.00 N ATOM 696 CA VAL A 42 5.149 13.343 6.819 1.00 15.00 C ATOM 697 C VAL A 42 5.552 14.518 7.663 1.00 15.00 C ATOM 698 O VAL A 42 5.862 15.591 7.155 1.00 15.00 O ATOM 699 CB VAL A 42 6.387 12.477 6.423 1.00 15.00 C ATOM 700 CG1 VAL A 42 7.194 12.000 7.636 1.00 15.00 C ATOM 701 CG2 VAL A 42 5.985 11.302 5.603 1.00 15.00 C ATOM 0 H VAL A 42 4.601 14.505 5.146 1.00 15.00 H new ATOM 0 HA VAL A 42 4.522 12.692 7.429 1.00 15.00 H new ATOM 0 HB VAL A 42 7.029 13.131 5.832 1.00 15.00 H new ATOM 0 HG11 VAL A 42 8.041 11.403 7.298 1.00 15.00 H new ATOM 0 HG12 VAL A 42 7.558 12.863 8.193 1.00 15.00 H new ATOM 0 HG13 VAL A 42 6.558 11.394 8.281 1.00 15.00 H new ATOM 0 HG21 VAL A 42 6.869 10.720 5.344 1.00 15.00 H new ATOM 0 HG22 VAL A 42 5.295 10.680 6.173 1.00 15.00 H new ATOM 0 HG23 VAL A 42 5.496 11.645 4.691 1.00 15.00 H new ATOM 711 N VAL A 43 5.592 14.222 8.960 1.00 15.00 N ATOM 712 CA VAL A 43 6.003 15.148 9.934 1.00 15.00 C ATOM 713 C VAL A 43 6.986 14.438 10.844 1.00 15.00 C ATOM 714 O VAL A 43 6.675 13.426 11.447 1.00 15.00 O ATOM 715 CB VAL A 43 4.858 15.796 10.749 1.00 15.00 C ATOM 716 CG1 VAL A 43 5.420 16.757 11.767 1.00 15.00 C ATOM 717 CG2 VAL A 43 3.862 16.505 9.853 1.00 15.00 C ATOM 0 H VAL A 43 5.330 13.311 9.338 1.00 15.00 H new ATOM 0 HA VAL A 43 6.460 15.992 9.417 1.00 15.00 H new ATOM 0 HB VAL A 43 4.327 14.996 11.265 1.00 15.00 H new ATOM 0 HG11 VAL A 43 4.604 17.206 12.333 1.00 15.00 H new ATOM 0 HG12 VAL A 43 6.082 16.221 12.447 1.00 15.00 H new ATOM 0 HG13 VAL A 43 5.981 17.540 11.257 1.00 15.00 H new ATOM 0 HG21 VAL A 43 3.074 16.947 10.463 1.00 15.00 H new ATOM 0 HG22 VAL A 43 4.371 17.290 9.293 1.00 15.00 H new ATOM 0 HG23 VAL A 43 3.424 15.789 9.157 1.00 15.00 H new ATOM 727 N ILE A 44 8.154 14.931 10.890 1.00 15.00 N ATOM 728 CA ILE A 44 9.122 14.486 11.817 1.00 15.00 C ATOM 729 C ILE A 44 9.586 15.792 12.416 1.00 15.00 C ATOM 730 O ILE A 44 10.068 16.681 11.712 1.00 15.00 O ATOM 731 CB ILE A 44 10.226 13.591 11.111 1.00 15.00 C ATOM 732 CG1 ILE A 44 11.315 13.013 12.062 1.00 15.00 C ATOM 733 CG2 ILE A 44 10.839 14.268 9.911 1.00 15.00 C ATOM 734 CD1 ILE A 44 12.288 14.002 12.649 1.00 15.00 C ATOM 0 H ILE A 44 8.479 15.674 10.272 1.00 15.00 H new ATOM 0 HA ILE A 44 8.772 13.807 12.594 1.00 15.00 H new ATOM 0 HB ILE A 44 9.670 12.722 10.759 1.00 15.00 H new ATOM 0 HG12 ILE A 44 10.814 12.499 12.882 1.00 15.00 H new ATOM 0 HG13 ILE A 44 11.882 12.261 11.514 1.00 15.00 H new ATOM 0 HG21 ILE A 44 11.587 13.612 9.466 1.00 15.00 H new ATOM 0 HG22 ILE A 44 10.062 14.482 9.177 1.00 15.00 H new ATOM 0 HG23 ILE A 44 11.312 15.200 10.221 1.00 15.00 H new ATOM 0 HD11 ILE A 44 12.995 13.479 13.292 1.00 15.00 H new ATOM 0 HD12 ILE A 44 12.829 14.501 11.845 1.00 15.00 H new ATOM 0 HD13 ILE A 44 11.744 14.743 13.235 1.00 15.00 H new ATOM 746 N ASP A 45 9.296 15.955 13.685 1.00 15.00 N ATOM 747 CA ASP A 45 9.439 17.254 14.323 1.00 15.00 C ATOM 748 C ASP A 45 10.846 17.766 14.464 1.00 15.00 C ATOM 749 O ASP A 45 11.071 18.953 14.240 1.00 15.00 O ATOM 750 CB ASP A 45 8.666 17.374 15.621 1.00 15.00 C ATOM 751 CG ASP A 45 8.668 18.800 16.117 1.00 15.00 C ATOM 752 OD1 ASP A 45 7.831 19.604 15.646 1.00 15.00 O ATOM 753 OD2 ASP A 45 9.509 19.152 16.955 1.00 15.00 O ATOM 0 H ASP A 45 8.961 15.212 14.299 1.00 15.00 H new ATOM 0 HA ASP A 45 8.976 17.924 13.599 1.00 15.00 H new ATOM 0 HB2 ASP A 45 7.640 17.038 15.471 1.00 15.00 H new ATOM 0 HB3 ASP A 45 9.108 16.722 16.374 1.00 15.00 H new ATOM 758 N ASP A 46 11.758 16.842 14.742 1.00 15.00 N ATOM 759 CA ASP A 46 13.192 17.075 15.053 1.00 15.00 C ATOM 760 C ASP A 46 13.531 18.486 15.430 1.00 15.00 C ATOM 761 O ASP A 46 13.895 19.295 14.571 1.00 15.00 O ATOM 762 CB ASP A 46 14.138 16.614 13.938 1.00 15.00 C ATOM 763 CG ASP A 46 15.602 16.790 14.330 1.00 15.00 C ATOM 764 OD1 ASP A 46 16.141 15.897 14.997 1.00 15.00 O ATOM 765 OD2 ASP A 46 16.211 17.835 13.993 1.00 15.00 O ATOM 0 H ASP A 46 11.519 15.851 14.762 1.00 15.00 H new ATOM 0 HA ASP A 46 13.349 16.453 15.934 1.00 15.00 H new ATOM 0 HB2 ASP A 46 13.946 15.566 13.709 1.00 15.00 H new ATOM 0 HB3 ASP A 46 13.934 17.181 13.030 1.00 15.00 H new ATOM 770 N SER A 47 13.184 18.887 16.613 1.00 15.00 N ATOM 771 CA SER A 47 13.765 20.124 17.054 1.00 15.00 C ATOM 772 C SER A 47 15.332 20.106 17.097 1.00 15.00 C ATOM 773 O SER A 47 15.941 21.125 16.744 1.00 15.00 O ATOM 774 CB SER A 47 13.056 20.689 18.293 1.00 15.00 C ATOM 775 OG SER A 47 12.840 19.689 19.277 1.00 15.00 O ATOM 0 H SER A 47 12.546 18.418 17.256 1.00 15.00 H new ATOM 0 HA SER A 47 13.569 20.866 16.279 1.00 15.00 H new ATOM 0 HB2 SER A 47 13.654 21.495 18.719 1.00 15.00 H new ATOM 0 HB3 SER A 47 12.100 21.123 17.999 1.00 15.00 H new ATOM 0 HG SER A 47 13.571 19.037 19.247 1.00 15.00 H new ATOM 781 N LYS A 48 15.954 18.980 17.582 1.00 15.00 N ATOM 782 CA LYS A 48 17.445 18.707 17.475 1.00 15.00 C ATOM 783 C LYS A 48 18.232 19.421 16.377 1.00 15.00 C ATOM 784 O LYS A 48 18.552 20.611 16.537 1.00 15.00 O ATOM 785 CB LYS A 48 17.772 17.208 17.480 1.00 15.00 C ATOM 786 CG LYS A 48 17.543 16.503 18.804 1.00 15.00 C ATOM 787 CD LYS A 48 18.559 16.941 19.864 1.00 15.00 C ATOM 788 CE LYS A 48 19.981 16.534 19.486 1.00 15.00 C ATOM 789 NZ LYS A 48 20.963 16.904 20.530 1.00 15.00 N ATOM 0 H LYS A 48 15.445 18.235 18.057 1.00 15.00 H new ATOM 0 HA LYS A 48 17.804 19.176 18.391 1.00 15.00 H new ATOM 0 HB2 LYS A 48 17.168 16.718 16.716 1.00 15.00 H new ATOM 0 HB3 LYS A 48 18.816 17.079 17.193 1.00 15.00 H new ATOM 0 HG2 LYS A 48 16.534 16.714 19.158 1.00 15.00 H new ATOM 0 HG3 LYS A 48 17.611 15.425 18.659 1.00 15.00 H new ATOM 0 HD2 LYS A 48 18.511 18.023 19.989 1.00 15.00 H new ATOM 0 HD3 LYS A 48 18.297 16.497 20.825 1.00 15.00 H new ATOM 0 HE2 LYS A 48 20.017 15.457 19.320 1.00 15.00 H new ATOM 0 HE3 LYS A 48 20.256 17.011 18.545 1.00 15.00 H new ATOM 0 HZ1 LYS A 48 21.915 16.609 20.232 1.00 15.00 H new ATOM 0 HZ2 LYS A 48 20.948 17.934 20.671 1.00 15.00 H new ATOM 0 HZ3 LYS A 48 20.717 16.429 21.422 1.00 15.00 H new ATOM 803 N VAL A 49 18.577 18.751 15.295 1.00 15.00 N ATOM 804 CA VAL A 49 19.359 19.386 14.243 1.00 15.00 C ATOM 805 C VAL A 49 18.917 18.750 12.953 1.00 15.00 C ATOM 806 O VAL A 49 19.377 17.631 12.618 1.00 15.00 O ATOM 807 CB VAL A 49 20.916 19.201 14.389 1.00 15.00 C ATOM 808 CG1 VAL A 49 21.652 19.943 13.289 1.00 15.00 C ATOM 809 CG2 VAL A 49 21.440 19.642 15.750 1.00 15.00 C ATOM 0 H VAL A 49 18.333 17.776 15.118 1.00 15.00 H new ATOM 0 HA VAL A 49 19.185 20.461 14.290 1.00 15.00 H new ATOM 0 HB VAL A 49 21.107 18.132 14.299 1.00 15.00 H new ATOM 0 HG11 VAL A 49 22.726 19.801 13.410 1.00 15.00 H new ATOM 0 HG12 VAL A 49 21.342 19.556 12.318 1.00 15.00 H new ATOM 0 HG13 VAL A 49 21.418 21.006 13.347 1.00 15.00 H new ATOM 0 HG21 VAL A 49 22.519 19.491 15.791 1.00 15.00 H new ATOM 0 HG22 VAL A 49 21.216 20.698 15.902 1.00 15.00 H new ATOM 0 HG23 VAL A 49 20.961 19.053 16.532 1.00 15.00 H new ATOM 819 N ASN A 50 18.051 19.419 12.237 1.00 15.00 N ATOM 820 CA ASN A 50 17.448 18.824 11.075 1.00 15.00 C ATOM 821 C ASN A 50 18.454 18.509 10.007 1.00 15.00 C ATOM 822 O ASN A 50 18.319 17.536 9.329 1.00 15.00 O ATOM 823 CB ASN A 50 16.244 19.632 10.514 1.00 15.00 C ATOM 824 CG ASN A 50 16.587 21.020 9.988 1.00 15.00 C ATOM 825 OD1 ASN A 50 16.586 21.998 10.736 1.00 15.00 O ATOM 826 ND2 ASN A 50 16.844 21.129 8.702 1.00 15.00 N ATOM 0 H ASN A 50 17.749 20.372 12.438 1.00 15.00 H new ATOM 0 HA ASN A 50 17.035 17.877 11.421 1.00 15.00 H new ATOM 0 HB2 ASN A 50 15.785 19.058 9.709 1.00 15.00 H new ATOM 0 HB3 ASN A 50 15.496 19.733 11.300 1.00 15.00 H new ATOM 0 HD21 ASN A 50 17.050 22.043 8.299 1.00 15.00 H new ATOM 0 HD22 ASN A 50 16.837 20.300 8.108 1.00 15.00 H new ATOM 833 N ILE A 51 19.456 19.357 9.844 1.00 15.00 N ATOM 834 CA ILE A 51 20.457 19.069 8.794 1.00 15.00 C ATOM 835 C ILE A 51 21.152 17.660 9.017 1.00 15.00 C ATOM 836 O ILE A 51 21.476 16.966 8.046 1.00 15.00 O ATOM 837 CB ILE A 51 21.427 20.266 8.512 1.00 15.00 C ATOM 838 CG1 ILE A 51 22.181 20.183 7.139 1.00 15.00 C ATOM 839 CG2 ILE A 51 22.423 20.423 9.655 1.00 15.00 C ATOM 840 CD1 ILE A 51 23.283 19.145 7.009 1.00 15.00 C ATOM 0 H ILE A 51 19.608 20.209 10.384 1.00 15.00 H new ATOM 0 HA ILE A 51 19.921 18.969 7.850 1.00 15.00 H new ATOM 0 HB ILE A 51 20.791 21.148 8.444 1.00 15.00 H new ATOM 0 HG12 ILE A 51 21.443 19.990 6.360 1.00 15.00 H new ATOM 0 HG13 ILE A 51 22.614 21.162 6.933 1.00 15.00 H new ATOM 0 HG21 ILE A 51 23.090 21.259 9.444 1.00 15.00 H new ATOM 0 HG22 ILE A 51 21.884 20.614 10.583 1.00 15.00 H new ATOM 0 HG23 ILE A 51 23.008 19.509 9.756 1.00 15.00 H new ATOM 0 HD11 ILE A 51 23.717 19.198 6.011 1.00 15.00 H new ATOM 0 HD12 ILE A 51 24.056 19.340 7.752 1.00 15.00 H new ATOM 0 HD13 ILE A 51 22.867 18.151 7.171 1.00 15.00 H new ATOM 852 N GLU A 52 21.315 17.210 10.276 1.00 15.00 N ATOM 853 CA GLU A 52 21.896 15.887 10.525 1.00 15.00 C ATOM 854 C GLU A 52 20.851 14.799 10.262 1.00 15.00 C ATOM 855 O GLU A 52 21.133 13.743 9.697 1.00 15.00 O ATOM 856 CB GLU A 52 22.430 15.807 11.964 1.00 15.00 C ATOM 857 CG GLU A 52 23.110 14.486 12.325 1.00 15.00 C ATOM 858 CD GLU A 52 24.346 14.206 11.496 1.00 15.00 C ATOM 859 OE1 GLU A 52 24.944 15.144 10.959 1.00 15.00 O ATOM 860 OE2 GLU A 52 24.761 13.028 11.400 1.00 15.00 O ATOM 0 H GLU A 52 21.058 17.732 11.114 1.00 15.00 H new ATOM 0 HA GLU A 52 22.732 15.727 9.845 1.00 15.00 H new ATOM 0 HB2 GLU A 52 23.141 16.619 12.118 1.00 15.00 H new ATOM 0 HB3 GLU A 52 21.602 15.973 12.653 1.00 15.00 H new ATOM 0 HG2 GLU A 52 23.384 14.502 13.380 1.00 15.00 H new ATOM 0 HG3 GLU A 52 22.399 13.671 12.193 1.00 15.00 H new ATOM 867 N GLU A 53 19.669 15.068 10.711 1.00 15.00 N ATOM 868 CA GLU A 53 18.496 14.247 10.496 1.00 15.00 C ATOM 869 C GLU A 53 18.188 14.075 8.998 1.00 15.00 C ATOM 870 O GLU A 53 17.949 12.958 8.547 1.00 15.00 O ATOM 871 CB GLU A 53 17.375 14.924 11.344 1.00 15.00 C ATOM 872 CG GLU A 53 15.946 14.434 11.237 1.00 15.00 C ATOM 873 CD GLU A 53 15.198 15.010 10.048 1.00 15.00 C ATOM 874 OE1 GLU A 53 15.656 16.012 9.447 1.00 15.00 O ATOM 875 OE2 GLU A 53 14.131 14.478 9.688 1.00 15.00 O ATOM 0 H GLU A 53 19.473 15.902 11.265 1.00 15.00 H new ATOM 0 HA GLU A 53 18.622 13.215 10.823 1.00 15.00 H new ATOM 0 HB2 GLU A 53 17.668 14.845 12.391 1.00 15.00 H new ATOM 0 HB3 GLU A 53 17.374 15.985 11.093 1.00 15.00 H new ATOM 0 HG2 GLU A 53 15.947 13.346 11.164 1.00 15.00 H new ATOM 0 HG3 GLU A 53 15.412 14.691 12.152 1.00 15.00 H new ATOM 882 N LEU A 54 18.307 15.130 8.223 1.00 15.00 N ATOM 883 CA LEU A 54 18.139 15.032 6.785 1.00 15.00 C ATOM 884 C LEU A 54 19.434 14.615 6.094 1.00 15.00 C ATOM 885 O LEU A 54 19.614 14.787 4.914 1.00 15.00 O ATOM 886 CB LEU A 54 17.423 16.268 6.151 1.00 15.00 C ATOM 887 CG LEU A 54 18.011 17.673 6.358 1.00 15.00 C ATOM 888 CD1 LEU A 54 19.267 17.913 5.539 1.00 15.00 C ATOM 889 CD2 LEU A 54 16.969 18.725 6.063 1.00 15.00 C ATOM 0 H LEU A 54 18.520 16.068 8.562 1.00 15.00 H new ATOM 0 HA LEU A 54 17.436 14.220 6.601 1.00 15.00 H new ATOM 0 HB2 LEU A 54 17.362 16.095 5.077 1.00 15.00 H new ATOM 0 HB3 LEU A 54 16.401 16.283 6.530 1.00 15.00 H new ATOM 0 HG LEU A 54 18.307 17.744 7.405 1.00 15.00 H new ATOM 0 HD11 LEU A 54 19.636 18.921 5.726 1.00 15.00 H new ATOM 0 HD12 LEU A 54 20.030 17.188 5.823 1.00 15.00 H new ATOM 0 HD13 LEU A 54 19.037 17.802 4.479 1.00 15.00 H new ATOM 0 HD21 LEU A 54 17.399 19.715 6.214 1.00 15.00 H new ATOM 0 HD22 LEU A 54 16.636 18.627 5.030 1.00 15.00 H new ATOM 0 HD23 LEU A 54 16.119 18.593 6.732 1.00 15.00 H new ATOM 901 N LYS A 55 20.361 14.166 6.884 1.00 15.00 N ATOM 902 CA LYS A 55 21.555 13.510 6.397 1.00 15.00 C ATOM 903 C LYS A 55 21.389 11.988 6.298 1.00 15.00 C ATOM 904 O LYS A 55 21.414 11.450 5.187 1.00 15.00 O ATOM 905 CB LYS A 55 22.812 13.877 7.202 1.00 15.00 C ATOM 906 CG LYS A 55 24.021 13.031 6.848 1.00 15.00 C ATOM 907 CD LYS A 55 24.602 13.346 5.488 1.00 15.00 C ATOM 908 CE LYS A 55 25.544 12.231 5.046 1.00 15.00 C ATOM 909 NZ LYS A 55 26.380 11.706 6.158 1.00 15.00 N ATOM 0 H LYS A 55 20.317 14.242 7.900 1.00 15.00 H new ATOM 0 HA LYS A 55 21.702 13.891 5.386 1.00 15.00 H new ATOM 0 HB2 LYS A 55 23.050 14.927 7.032 1.00 15.00 H new ATOM 0 HB3 LYS A 55 22.599 13.767 8.265 1.00 15.00 H new ATOM 0 HG2 LYS A 55 24.791 13.177 7.606 1.00 15.00 H new ATOM 0 HG3 LYS A 55 23.739 11.978 6.879 1.00 15.00 H new ATOM 0 HD2 LYS A 55 23.799 13.464 4.760 1.00 15.00 H new ATOM 0 HD3 LYS A 55 25.140 14.293 5.525 1.00 15.00 H new ATOM 0 HE2 LYS A 55 24.959 11.415 4.621 1.00 15.00 H new ATOM 0 HE3 LYS A 55 26.194 12.604 4.254 1.00 15.00 H new ATOM 0 HZ1 LYS A 55 27.211 11.217 5.767 1.00 15.00 H new ATOM 0 HZ2 LYS A 55 26.694 12.495 6.759 1.00 15.00 H new ATOM 0 HZ3 LYS A 55 25.821 11.038 6.727 1.00 15.00 H new ATOM 923 N GLU A 56 21.236 11.277 7.415 1.00 15.00 N ATOM 924 CA GLU A 56 21.338 9.821 7.302 1.00 15.00 C ATOM 925 C GLU A 56 20.175 9.127 6.606 1.00 15.00 C ATOM 926 O GLU A 56 20.359 8.246 5.766 1.00 15.00 O ATOM 927 CB GLU A 56 21.680 9.176 8.639 1.00 15.00 C ATOM 928 CG GLU A 56 23.110 9.478 9.065 1.00 15.00 C ATOM 929 CD GLU A 56 24.108 9.046 7.990 1.00 15.00 C ATOM 930 OE1 GLU A 56 24.117 7.850 7.620 1.00 15.00 O ATOM 931 OE2 GLU A 56 24.874 9.897 7.480 1.00 15.00 O ATOM 0 H GLU A 56 21.054 11.650 8.347 1.00 15.00 H new ATOM 0 HA GLU A 56 22.173 9.663 6.619 1.00 15.00 H new ATOM 0 HB2 GLU A 56 20.990 9.535 9.403 1.00 15.00 H new ATOM 0 HB3 GLU A 56 21.543 8.097 8.567 1.00 15.00 H new ATOM 0 HG2 GLU A 56 23.218 10.545 9.257 1.00 15.00 H new ATOM 0 HG3 GLU A 56 23.331 8.962 9.999 1.00 15.00 H new ATOM 938 N LYS A 57 18.987 9.516 6.973 1.00 15.00 N ATOM 939 CA LYS A 57 17.791 8.969 6.418 1.00 15.00 C ATOM 940 C LYS A 57 17.355 9.606 5.114 1.00 15.00 C ATOM 941 O LYS A 57 16.344 9.237 4.569 1.00 15.00 O ATOM 942 CB LYS A 57 16.722 9.093 7.503 1.00 15.00 C ATOM 943 CG LYS A 57 16.350 10.451 7.953 1.00 15.00 C ATOM 944 CD LYS A 57 15.535 10.319 9.210 1.00 15.00 C ATOM 945 CE LYS A 57 14.923 11.604 9.625 1.00 15.00 C ATOM 946 NZ LYS A 57 13.761 11.968 8.811 1.00 15.00 N ATOM 0 H LYS A 57 18.824 10.235 7.678 1.00 15.00 H new ATOM 0 HA LYS A 57 17.966 7.930 6.138 1.00 15.00 H new ATOM 0 HB2 LYS A 57 15.819 8.601 7.141 1.00 15.00 H new ATOM 0 HB3 LYS A 57 17.063 8.533 8.374 1.00 15.00 H new ATOM 0 HG2 LYS A 57 17.243 11.048 8.139 1.00 15.00 H new ATOM 0 HG3 LYS A 57 15.778 10.965 7.180 1.00 15.00 H new ATOM 0 HD2 LYS A 57 14.750 9.579 9.054 1.00 15.00 H new ATOM 0 HD3 LYS A 57 16.170 9.946 10.014 1.00 15.00 H new ATOM 0 HE2 LYS A 57 14.622 11.537 10.670 1.00 15.00 H new ATOM 0 HE3 LYS A 57 15.670 12.395 9.558 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 13.560 12.982 8.927 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 13.961 11.767 7.811 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 12.936 11.414 9.117 1.00 15.00 H new ATOM 960 N LEU A 58 18.084 10.700 4.740 1.00 15.00 N ATOM 961 CA LEU A 58 17.997 11.412 3.352 1.00 15.00 C ATOM 962 C LEU A 58 18.036 10.407 2.097 1.00 15.00 C ATOM 963 O LEU A 58 18.349 10.767 0.961 1.00 15.00 O ATOM 964 CB LEU A 58 19.150 12.408 3.214 1.00 15.00 C ATOM 965 CG LEU A 58 19.108 13.350 1.990 1.00 15.00 C ATOM 966 CD1 LEU A 58 17.896 14.277 2.053 1.00 15.00 C ATOM 967 CD2 LEU A 58 20.390 14.155 1.893 1.00 15.00 C ATOM 0 H LEU A 58 18.758 11.141 5.366 1.00 15.00 H new ATOM 0 HA LEU A 58 17.028 11.911 3.331 1.00 15.00 H new ATOM 0 HB2 LEU A 58 19.180 13.021 4.115 1.00 15.00 H new ATOM 0 HB3 LEU A 58 20.083 11.846 3.179 1.00 15.00 H new ATOM 0 HG LEU A 58 19.016 12.735 1.094 1.00 15.00 H new ATOM 0 HD11 LEU A 58 17.891 14.929 1.180 1.00 15.00 H new ATOM 0 HD12 LEU A 58 16.983 13.682 2.067 1.00 15.00 H new ATOM 0 HD13 LEU A 58 17.948 14.883 2.958 1.00 15.00 H new ATOM 0 HD21 LEU A 58 20.342 14.813 1.025 1.00 15.00 H new ATOM 0 HD22 LEU A 58 20.513 14.754 2.796 1.00 15.00 H new ATOM 0 HD23 LEU A 58 21.238 13.478 1.789 1.00 15.00 H new ATOM 979 N LYS A 59 17.685 9.229 2.363 1.00 15.00 N ATOM 980 CA LYS A 59 17.742 8.091 1.528 1.00 15.00 C ATOM 981 C LYS A 59 16.292 7.719 1.320 1.00 15.00 C ATOM 982 O LYS A 59 15.480 8.023 2.192 1.00 15.00 O ATOM 983 CB LYS A 59 18.471 7.059 2.363 1.00 15.00 C ATOM 984 CG LYS A 59 18.948 5.798 1.693 1.00 15.00 C ATOM 985 CD LYS A 59 19.580 4.879 2.748 1.00 15.00 C ATOM 986 CE LYS A 59 20.736 5.578 3.487 1.00 15.00 C ATOM 987 NZ LYS A 59 21.315 4.745 4.556 1.00 15.00 N ATOM 0 H LYS A 59 17.302 8.997 3.279 1.00 15.00 H new ATOM 0 HA LYS A 59 18.239 8.208 0.565 1.00 15.00 H new ATOM 0 HB2 LYS A 59 19.339 7.546 2.808 1.00 15.00 H new ATOM 0 HB3 LYS A 59 17.812 6.770 3.182 1.00 15.00 H new ATOM 0 HG2 LYS A 59 18.115 5.293 1.205 1.00 15.00 H new ATOM 0 HG3 LYS A 59 19.675 6.036 0.917 1.00 15.00 H new ATOM 0 HD2 LYS A 59 18.820 4.572 3.467 1.00 15.00 H new ATOM 0 HD3 LYS A 59 19.949 3.973 2.268 1.00 15.00 H new ATOM 0 HE2 LYS A 59 21.516 5.836 2.771 1.00 15.00 H new ATOM 0 HE3 LYS A 59 20.375 6.513 3.916 1.00 15.00 H new ATOM 0 HZ1 LYS A 59 22.287 5.059 4.753 1.00 15.00 H new ATOM 0 HZ2 LYS A 59 20.740 4.837 5.418 1.00 15.00 H new ATOM 0 HZ3 LYS A 59 21.327 3.750 4.253 1.00 15.00 H new ATOM 1001 N GLY A 60 15.918 7.103 0.249 1.00 15.00 N ATOM 1002 CA GLY A 60 14.531 6.850 0.072 1.00 15.00 C ATOM 1003 C GLY A 60 14.374 5.777 -0.921 1.00 15.00 C ATOM 1004 O GLY A 60 15.053 5.784 -1.951 1.00 15.00 O ATOM 0 H GLY A 60 16.533 6.775 -0.496 1.00 15.00 H new ATOM 0 HA2 GLY A 60 14.075 6.559 1.019 1.00 15.00 H new ATOM 0 HA3 GLY A 60 14.021 7.753 -0.263 1.00 15.00 H new ATOM 1008 N GLU A 61 13.567 4.850 -0.611 1.00 15.00 N ATOM 1009 CA GLU A 61 13.402 3.692 -1.416 1.00 15.00 C ATOM 1010 C GLU A 61 11.932 3.352 -1.474 1.00 15.00 C ATOM 1011 O GLU A 61 11.188 3.872 -0.661 1.00 15.00 O ATOM 1012 CB GLU A 61 14.248 2.592 -0.762 1.00 15.00 C ATOM 1013 CG GLU A 61 14.414 1.331 -1.560 1.00 15.00 C ATOM 1014 CD GLU A 61 15.326 0.369 -0.866 1.00 15.00 C ATOM 1015 OE1 GLU A 61 16.565 0.563 -0.907 1.00 15.00 O ATOM 1016 OE2 GLU A 61 14.853 -0.584 -0.265 1.00 15.00 O ATOM 0 H GLU A 61 12.984 4.864 0.226 1.00 15.00 H new ATOM 0 HA GLU A 61 13.732 3.829 -2.446 1.00 15.00 H new ATOM 0 HB2 GLU A 61 15.237 2.998 -0.551 1.00 15.00 H new ATOM 0 HB3 GLU A 61 13.797 2.336 0.197 1.00 15.00 H new ATOM 0 HG2 GLU A 61 13.441 0.866 -1.717 1.00 15.00 H new ATOM 0 HG3 GLU A 61 14.815 1.571 -2.545 1.00 15.00 H new ATOM 1023 N VAL A 62 11.510 2.548 -2.505 1.00 15.00 N ATOM 1024 CA VAL A 62 10.108 2.109 -2.678 1.00 15.00 C ATOM 1025 C VAL A 62 9.264 3.250 -3.307 1.00 15.00 C ATOM 1026 O VAL A 62 8.052 3.340 -3.141 1.00 15.00 O ATOM 1027 CB VAL A 62 9.467 1.800 -1.183 1.00 15.00 C ATOM 1028 CG1 VAL A 62 8.062 1.184 -1.282 1.00 15.00 C ATOM 1029 CG2 VAL A 62 10.341 0.804 -0.409 1.00 15.00 C ATOM 0 H VAL A 62 12.138 2.196 -3.227 1.00 15.00 H new ATOM 0 HA VAL A 62 10.090 1.228 -3.319 1.00 15.00 H new ATOM 0 HB VAL A 62 9.419 2.760 -0.668 1.00 15.00 H new ATOM 0 HG11 VAL A 62 7.676 0.996 -0.280 1.00 15.00 H new ATOM 0 HG12 VAL A 62 7.398 1.874 -1.803 1.00 15.00 H new ATOM 0 HG13 VAL A 62 8.114 0.245 -1.833 1.00 15.00 H new ATOM 0 HG21 VAL A 62 9.900 0.617 0.570 1.00 15.00 H new ATOM 0 HG22 VAL A 62 10.404 -0.132 -0.964 1.00 15.00 H new ATOM 0 HG23 VAL A 62 11.341 1.219 -0.283 1.00 15.00 H new ATOM 1039 N ILE A 63 9.936 4.146 -4.081 1.00 15.00 N ATOM 1040 CA ILE A 63 9.302 5.349 -4.725 1.00 15.00 C ATOM 1041 C ILE A 63 9.125 6.516 -3.684 1.00 15.00 C ATOM 1042 O ILE A 63 8.489 7.557 -3.934 1.00 15.00 O ATOM 1043 CB ILE A 63 8.001 5.004 -5.579 1.00 15.00 C ATOM 1044 CG1 ILE A 63 8.319 3.911 -6.620 1.00 15.00 C ATOM 1045 CG2 ILE A 63 7.419 6.227 -6.301 1.00 15.00 C ATOM 1046 CD1 ILE A 63 9.470 4.250 -7.561 1.00 15.00 C ATOM 0 H ILE A 63 10.933 4.062 -4.281 1.00 15.00 H new ATOM 0 HA ILE A 63 9.994 5.723 -5.480 1.00 15.00 H new ATOM 0 HB ILE A 63 7.253 4.650 -4.870 1.00 15.00 H new ATOM 0 HG12 ILE A 63 8.556 2.985 -6.095 1.00 15.00 H new ATOM 0 HG13 ILE A 63 7.425 3.721 -7.214 1.00 15.00 H new ATOM 0 HG21 ILE A 63 6.535 5.930 -6.866 1.00 15.00 H new ATOM 0 HG22 ILE A 63 7.143 6.985 -5.568 1.00 15.00 H new ATOM 0 HG23 ILE A 63 8.165 6.636 -6.983 1.00 15.00 H new ATOM 0 HD11 ILE A 63 9.624 3.427 -8.259 1.00 15.00 H new ATOM 0 HD12 ILE A 63 9.231 5.157 -8.117 1.00 15.00 H new ATOM 0 HD13 ILE A 63 10.379 4.409 -6.981 1.00 15.00 H new ATOM 1058 N GLU A 64 9.778 6.343 -2.556 1.00 15.00 N ATOM 1059 CA GLU A 64 9.919 7.393 -1.553 1.00 15.00 C ATOM 1060 C GLU A 64 10.797 8.524 -2.105 1.00 15.00 C ATOM 1061 O GLU A 64 10.421 9.704 -2.071 1.00 15.00 O ATOM 1062 CB GLU A 64 10.562 6.794 -0.282 1.00 15.00 C ATOM 1063 CG GLU A 64 10.758 7.785 0.848 1.00 15.00 C ATOM 1064 CD GLU A 64 11.291 7.160 2.109 1.00 15.00 C ATOM 1065 OE1 GLU A 64 12.418 6.629 2.106 1.00 15.00 O ATOM 1066 OE2 GLU A 64 10.618 7.248 3.166 1.00 15.00 O ATOM 0 H GLU A 64 10.232 5.466 -2.301 1.00 15.00 H new ATOM 0 HA GLU A 64 8.939 7.800 -1.306 1.00 15.00 H new ATOM 0 HB2 GLU A 64 9.938 5.974 0.074 1.00 15.00 H new ATOM 0 HB3 GLU A 64 11.529 6.367 -0.546 1.00 15.00 H new ATOM 0 HG2 GLU A 64 11.444 8.566 0.521 1.00 15.00 H new ATOM 0 HG3 GLU A 64 9.806 8.268 1.066 1.00 15.00 H new ATOM 1073 N GLU A 65 11.911 8.125 -2.717 1.00 15.00 N ATOM 1074 CA GLU A 65 12.914 9.027 -3.275 1.00 15.00 C ATOM 1075 C GLU A 65 13.419 10.094 -2.348 1.00 15.00 C ATOM 1076 O GLU A 65 13.091 11.291 -2.479 1.00 15.00 O ATOM 1077 CB GLU A 65 12.631 9.509 -4.696 1.00 15.00 C ATOM 1078 CG GLU A 65 12.857 8.420 -5.721 1.00 15.00 C ATOM 1079 CD GLU A 65 14.313 7.968 -5.743 1.00 15.00 C ATOM 1080 OE1 GLU A 65 14.785 7.340 -4.772 1.00 15.00 O ATOM 1081 OE2 GLU A 65 15.022 8.281 -6.713 1.00 15.00 O ATOM 0 H GLU A 65 12.146 7.140 -2.841 1.00 15.00 H new ATOM 0 HA GLU A 65 13.776 8.370 -3.386 1.00 15.00 H new ATOM 0 HB2 GLU A 65 11.601 9.860 -4.761 1.00 15.00 H new ATOM 0 HB3 GLU A 65 13.273 10.360 -4.924 1.00 15.00 H new ATOM 0 HG2 GLU A 65 12.214 7.569 -5.497 1.00 15.00 H new ATOM 0 HG3 GLU A 65 12.573 8.783 -6.708 1.00 15.00 H new ATOM 1088 N LYS A 66 14.254 9.615 -1.415 1.00 15.00 N ATOM 1089 CA LYS A 66 14.899 10.423 -0.370 1.00 15.00 C ATOM 1090 C LYS A 66 13.783 11.074 0.450 1.00 15.00 C ATOM 1091 O LYS A 66 12.638 10.637 0.358 1.00 15.00 O ATOM 1092 CB LYS A 66 15.888 11.468 -0.988 1.00 15.00 C ATOM 1093 CG LYS A 66 16.932 10.868 -1.980 1.00 15.00 C ATOM 1094 CD LYS A 66 16.373 10.763 -3.409 1.00 15.00 C ATOM 1095 CE LYS A 66 17.261 9.963 -4.351 1.00 15.00 C ATOM 1096 NZ LYS A 66 17.227 8.503 -4.070 1.00 15.00 N ATOM 0 H LYS A 66 14.506 8.628 -1.365 1.00 15.00 H new ATOM 0 HA LYS A 66 15.513 9.802 0.282 1.00 15.00 H new ATOM 0 HB2 LYS A 66 15.310 12.232 -1.508 1.00 15.00 H new ATOM 0 HB3 LYS A 66 16.421 11.967 -0.179 1.00 15.00 H new ATOM 0 HG2 LYS A 66 17.827 11.490 -1.985 1.00 15.00 H new ATOM 0 HG3 LYS A 66 17.234 9.879 -1.635 1.00 15.00 H new ATOM 0 HD2 LYS A 66 15.387 10.300 -3.372 1.00 15.00 H new ATOM 0 HD3 LYS A 66 16.239 11.767 -3.813 1.00 15.00 H new ATOM 0 HE2 LYS A 66 16.944 10.138 -5.379 1.00 15.00 H new ATOM 0 HE3 LYS A 66 18.287 10.321 -4.268 1.00 15.00 H new ATOM 0 HZ1 LYS A 66 17.808 8.001 -4.771 1.00 15.00 H new ATOM 0 HZ2 LYS A 66 17.603 8.324 -3.117 1.00 15.00 H new ATOM 0 HZ3 LYS A 66 16.246 8.162 -4.125 1.00 15.00 H new ATOM 1110 N GLU A 67 14.039 12.045 1.279 1.00 15.00 N ATOM 1111 CA GLU A 67 12.938 12.673 1.921 1.00 15.00 C ATOM 1112 C GLU A 67 12.924 14.097 1.443 1.00 15.00 C ATOM 1113 O GLU A 67 13.765 14.891 1.824 1.00 15.00 O ATOM 1114 CB GLU A 67 12.979 12.539 3.460 1.00 15.00 C ATOM 1115 CG GLU A 67 14.237 13.042 4.152 1.00 15.00 C ATOM 1116 CD GLU A 67 14.126 12.923 5.648 1.00 15.00 C ATOM 1117 OE1 GLU A 67 14.232 11.809 6.170 1.00 15.00 O ATOM 1118 OE2 GLU A 67 13.906 13.950 6.321 1.00 15.00 O ATOM 0 H GLU A 67 14.964 12.403 1.515 1.00 15.00 H new ATOM 0 HA GLU A 67 12.004 12.179 1.655 1.00 15.00 H new ATOM 0 HB2 GLU A 67 12.125 13.076 3.872 1.00 15.00 H new ATOM 0 HB3 GLU A 67 12.847 11.487 3.715 1.00 15.00 H new ATOM 0 HG2 GLU A 67 15.098 12.472 3.803 1.00 15.00 H new ATOM 0 HG3 GLU A 67 14.412 14.083 3.880 1.00 15.00 H new ATOM 1125 N ILE A 68 12.087 14.331 0.456 1.00 15.00 N ATOM 1126 CA ILE A 68 11.973 15.596 -0.190 1.00 15.00 C ATOM 1127 C ILE A 68 11.601 16.812 0.728 1.00 15.00 C ATOM 1128 O ILE A 68 12.245 17.065 1.732 1.00 15.00 O ATOM 1129 CB ILE A 68 11.185 15.483 -1.566 1.00 15.00 C ATOM 1130 CG1 ILE A 68 11.165 16.800 -2.380 1.00 15.00 C ATOM 1131 CG2 ILE A 68 9.775 14.901 -1.381 1.00 15.00 C ATOM 1132 CD1 ILE A 68 10.539 16.671 -3.751 1.00 15.00 C ATOM 0 H ILE A 68 11.457 13.622 0.080 1.00 15.00 H new ATOM 0 HA ILE A 68 12.990 15.882 -0.460 1.00 15.00 H new ATOM 0 HB ILE A 68 11.753 14.774 -2.168 1.00 15.00 H new ATOM 0 HG12 ILE A 68 10.621 17.556 -1.814 1.00 15.00 H new ATOM 0 HG13 ILE A 68 12.188 17.161 -2.492 1.00 15.00 H new ATOM 0 HG21 ILE A 68 9.276 14.843 -2.348 1.00 15.00 H new ATOM 0 HG22 ILE A 68 9.847 13.903 -0.949 1.00 15.00 H new ATOM 0 HG23 ILE A 68 9.201 15.544 -0.714 1.00 15.00 H new ATOM 0 HD11 ILE A 68 10.565 17.637 -4.255 1.00 15.00 H new ATOM 0 HD12 ILE A 68 11.096 15.941 -4.338 1.00 15.00 H new ATOM 0 HD13 ILE A 68 9.505 16.342 -3.649 1.00 15.00 H new ATOM 1144 N THR A 69 10.535 17.441 0.454 1.00 15.00 N ATOM 1145 CA THR A 69 10.242 18.801 0.914 1.00 15.00 C ATOM 1146 C THR A 69 9.078 19.278 0.099 1.00 15.00 C ATOM 1147 O THR A 69 9.090 19.114 -1.125 1.00 15.00 O ATOM 1148 CB THR A 69 11.424 19.844 0.558 1.00 15.00 C ATOM 1149 OG1 THR A 69 12.693 19.487 1.130 1.00 15.00 O ATOM 1150 CG2 THR A 69 11.076 21.258 1.029 1.00 15.00 C ATOM 0 H THR A 69 9.790 17.040 -0.116 1.00 15.00 H new ATOM 0 HA THR A 69 10.087 18.766 1.992 1.00 15.00 H new ATOM 0 HB THR A 69 11.513 19.809 -0.528 1.00 15.00 H new ATOM 0 HG1 THR A 69 12.580 18.712 1.719 1.00 15.00 H new ATOM 0 HG21 THR A 69 11.890 21.937 0.775 1.00 15.00 H new ATOM 0 HG22 THR A 69 10.161 21.590 0.539 1.00 15.00 H new ATOM 0 HG23 THR A 69 10.929 21.256 2.109 1.00 15.00 H new ATOM 1158 N LEU A 70 8.093 19.837 0.731 1.00 15.00 N ATOM 1159 CA LEU A 70 7.018 20.511 0.013 1.00 15.00 C ATOM 1160 C LEU A 70 6.255 21.384 1.009 1.00 15.00 C ATOM 1161 O LEU A 70 6.497 21.323 2.205 1.00 15.00 O ATOM 1162 CB LEU A 70 6.164 19.614 -0.925 1.00 15.00 C ATOM 1163 CG LEU A 70 5.103 20.278 -1.812 1.00 15.00 C ATOM 1164 CD1 LEU A 70 5.740 21.202 -2.841 1.00 15.00 C ATOM 1165 CD2 LEU A 70 4.276 19.221 -2.499 1.00 15.00 C ATOM 0 H LEU A 70 7.997 19.848 1.746 1.00 15.00 H new ATOM 0 HA LEU A 70 7.453 21.166 -0.742 1.00 15.00 H new ATOM 0 HB2 LEU A 70 6.848 19.072 -1.577 1.00 15.00 H new ATOM 0 HB3 LEU A 70 5.660 18.873 -0.305 1.00 15.00 H new ATOM 0 HG LEU A 70 4.458 20.884 -1.176 1.00 15.00 H new ATOM 0 HD11 LEU A 70 4.961 21.657 -3.453 1.00 15.00 H new ATOM 0 HD12 LEU A 70 6.302 21.984 -2.330 1.00 15.00 H new ATOM 0 HD13 LEU A 70 6.413 20.628 -3.478 1.00 15.00 H new ATOM 0 HD21 LEU A 70 3.524 19.699 -3.127 1.00 15.00 H new ATOM 0 HD22 LEU A 70 4.923 18.598 -3.117 1.00 15.00 H new ATOM 0 HD23 LEU A 70 3.782 18.601 -1.750 1.00 15.00 H new ATOM 1177 N GLN A 71 5.410 22.197 0.486 1.00 15.00 N ATOM 1178 CA GLN A 71 4.700 23.170 1.199 1.00 15.00 C ATOM 1179 C GLN A 71 3.223 22.836 1.118 1.00 15.00 C ATOM 1180 O GLN A 71 2.710 22.450 0.062 1.00 15.00 O ATOM 1181 CB GLN A 71 5.048 24.546 0.622 1.00 15.00 C ATOM 1182 CG GLN A 71 4.530 25.708 1.433 1.00 15.00 C ATOM 1183 CD GLN A 71 5.097 27.032 0.972 1.00 15.00 C ATOM 1184 OE1 GLN A 71 6.227 27.100 0.453 1.00 15.00 O ATOM 1185 NE2 GLN A 71 4.351 28.077 1.135 1.00 15.00 N ATOM 0 H GLN A 71 5.190 22.192 -0.510 1.00 15.00 H new ATOM 0 HA GLN A 71 4.969 23.189 2.255 1.00 15.00 H new ATOM 0 HB2 GLN A 71 6.132 24.629 0.540 1.00 15.00 H new ATOM 0 HB3 GLN A 71 4.646 24.616 -0.389 1.00 15.00 H new ATOM 0 HG2 GLN A 71 3.443 25.738 1.365 1.00 15.00 H new ATOM 0 HG3 GLN A 71 4.780 25.555 2.483 1.00 15.00 H new ATOM 0 HE21 GLN A 71 3.430 27.984 1.564 1.00 15.00 H new ATOM 0 HE22 GLN A 71 4.684 28.993 0.834 1.00 15.00 H new ATOM 1194 N GLU A 72 2.598 22.909 2.257 1.00 15.00 N ATOM 1195 CA GLU A 72 1.232 22.535 2.525 1.00 15.00 C ATOM 1196 C GLU A 72 0.109 23.248 1.751 1.00 15.00 C ATOM 1197 O GLU A 72 -0.676 24.000 2.337 1.00 15.00 O ATOM 1198 CB GLU A 72 0.977 22.758 4.072 1.00 15.00 C ATOM 1199 CG GLU A 72 1.023 24.192 4.654 1.00 15.00 C ATOM 1200 CD GLU A 72 2.313 24.914 4.467 1.00 15.00 C ATOM 1201 OE1 GLU A 72 3.369 24.346 4.805 1.00 15.00 O ATOM 1202 OE2 GLU A 72 2.288 26.063 3.984 1.00 15.00 O ATOM 0 H GLU A 72 3.065 23.260 3.093 1.00 15.00 H new ATOM 0 HA GLU A 72 1.164 21.503 2.181 1.00 15.00 H new ATOM 0 HB2 GLU A 72 -0.004 22.343 4.304 1.00 15.00 H new ATOM 0 HB3 GLU A 72 1.712 22.162 4.613 1.00 15.00 H new ATOM 0 HG2 GLU A 72 0.227 24.779 4.195 1.00 15.00 H new ATOM 0 HG3 GLU A 72 0.806 24.141 5.721 1.00 15.00 H new ATOM 1209 N LEU A 73 -0.035 23.066 0.460 1.00 15.00 N ATOM 1210 CA LEU A 73 -1.216 23.620 -0.176 1.00 15.00 C ATOM 1211 C LEU A 73 -2.264 22.507 -0.197 1.00 15.00 C ATOM 1212 O LEU A 73 -2.498 21.860 -1.218 1.00 15.00 O ATOM 1213 CB LEU A 73 -0.944 24.161 -1.607 1.00 15.00 C ATOM 1214 CG LEU A 73 -0.032 25.408 -1.770 1.00 15.00 C ATOM 1215 CD1 LEU A 73 1.408 25.131 -1.354 1.00 15.00 C ATOM 1216 CD2 LEU A 73 -0.059 25.886 -3.208 1.00 15.00 C ATOM 0 H LEU A 73 0.612 22.566 -0.149 1.00 15.00 H new ATOM 0 HA LEU A 73 -1.561 24.486 0.389 1.00 15.00 H new ATOM 0 HB2 LEU A 73 -0.504 23.351 -2.189 1.00 15.00 H new ATOM 0 HB3 LEU A 73 -1.907 24.394 -2.061 1.00 15.00 H new ATOM 0 HG LEU A 73 -0.425 26.181 -1.110 1.00 15.00 H new ATOM 0 HD11 LEU A 73 2.005 26.033 -1.487 1.00 15.00 H new ATOM 0 HD12 LEU A 73 1.433 24.830 -0.307 1.00 15.00 H new ATOM 0 HD13 LEU A 73 1.818 24.331 -1.971 1.00 15.00 H new ATOM 0 HD21 LEU A 73 0.583 26.761 -3.313 1.00 15.00 H new ATOM 0 HD22 LEU A 73 0.300 25.092 -3.862 1.00 15.00 H new ATOM 0 HD23 LEU A 73 -1.080 26.150 -3.485 1.00 15.00 H new ATOM 1228 N ILE A 74 -2.794 22.227 0.965 1.00 15.00 N ATOM 1229 CA ILE A 74 -3.723 21.118 1.168 1.00 15.00 C ATOM 1230 C ILE A 74 -4.602 21.373 2.386 1.00 15.00 C ATOM 1231 O ILE A 74 -5.659 22.083 2.205 1.00 15.00 O ATOM 1232 CB ILE A 74 -2.957 19.766 1.324 1.00 15.00 C ATOM 1233 CG1 ILE A 74 -3.916 18.568 1.435 1.00 15.00 C ATOM 1234 CG2 ILE A 74 -1.998 19.807 2.510 1.00 15.00 C ATOM 1235 CD1 ILE A 74 -4.726 18.305 0.185 1.00 15.00 C ATOM 0 H ILE A 74 -2.599 22.760 1.812 1.00 15.00 H new ATOM 0 HA ILE A 74 -4.360 21.048 0.286 1.00 15.00 H new ATOM 0 HB ILE A 74 -2.369 19.628 0.416 1.00 15.00 H new ATOM 0 HG12 ILE A 74 -3.338 17.675 1.675 1.00 15.00 H new ATOM 0 HG13 ILE A 74 -4.598 18.739 2.268 1.00 15.00 H new ATOM 0 HG21 ILE A 74 -1.480 18.852 2.592 1.00 15.00 H new ATOM 0 HG22 ILE A 74 -1.269 20.604 2.361 1.00 15.00 H new ATOM 0 HG23 ILE A 74 -2.559 19.995 3.425 1.00 15.00 H new ATOM 0 HD11 ILE A 74 -5.376 17.445 0.347 1.00 15.00 H new ATOM 0 HD12 ILE A 74 -5.333 19.180 -0.046 1.00 15.00 H new ATOM 0 HD13 ILE A 74 -4.053 18.100 -0.648 1.00 15.00 H new