USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.12 K(o=1.4,f=-2.6!) USER MOD Set 1.2: A 49 THR OG1 : rot 103:sc= 0.294 USER MOD Set 2.1: A 2 THR OG1 : rot -51:sc= 1.1 USER MOD Set 2.2: A 5 GLN : amide:sc= 1.3 K(o=2.4,f=-4.3!) USER MOD Single : A 1 LEU N :NH3+ -118:sc= -0.152 (180deg=-2!) USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= 0.835 (180deg=0.835) USER MOD Single : A 9 SER OG : rot 97:sc= 1.18 USER MOD Single : A 10 HIS : no HD1:sc=-0.00413 X(o=-0.0041,f=-0.0084) USER MOD Single : A 15 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.1!) USER MOD Single : A 18 SER OG : rot -24:sc= 1.26 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 1.58 (180deg=1.51) USER MOD Single : A 26 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.977 K(o=0.98,f=-0.013) USER MOD Single : A 29 TYR OH : rot -8:sc= 1.32 USER MOD Single : A 33 GLN : amide:sc= 3.16 K(o=3.2,f=-6.4!) USER MOD Single : A 35 TYR OH : rot -15:sc= 1.3 USER MOD Single : A 37 SER OG : rot 100:sc= 0.803 USER MOD Single : A 40 TYR OH : rot 180:sc= 0.19 USER MOD Single : A 53 ASN : amide:sc= 0.0807 K(o=0.081,f=-1.1) USER MOD Single : A 54 THR OG1 : rot -72:sc= 2.13 USER MOD Single : A 56 SER OG : rot 180:sc= 0.158 USER MOD Single : A 59 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.54) USER MOD Single : A 60 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.8!) USER MOD Single : A 61 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0037) USER MOD Single : A 63 SER OG : rot 5:sc= 1.2 USER MOD Single : A 65 SER OG : rot 7:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.932 9.611 -0.091 1.00 0.00 N ATOM 2 CA LEU A 1 14.633 8.949 -0.117 1.00 0.00 C ATOM 3 C LEU A 1 13.753 9.456 1.038 1.00 0.00 C ATOM 4 O LEU A 1 14.231 10.114 1.963 1.00 0.00 O ATOM 5 CB LEU A 1 14.828 7.418 -0.040 1.00 0.00 C ATOM 6 CG LEU A 1 15.146 6.726 -1.380 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.497 7.120 -1.984 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.152 5.211 -1.161 1.00 0.00 C ATOM 0 H1 LEU A 1 16.061 10.156 -0.967 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.978 10.252 0.726 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.684 8.897 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 1 14.125 9.186 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.636 7.206 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.923 6.973 0.374 1.00 0.00 H new ATOM 0 HG LEU A 1 14.375 7.047 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.644 6.589 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.514 8.194 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.296 6.857 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.376 4.708 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.911 4.953 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.173 4.891 -0.803 1.00 0.00 H new ATOM 20 N THR A 2 12.464 9.116 0.989 1.00 0.00 N ATOM 21 CA THR A 2 11.435 9.426 1.979 1.00 0.00 C ATOM 22 C THR A 2 10.687 8.150 2.401 1.00 0.00 C ATOM 23 O THR A 2 10.848 7.105 1.772 1.00 0.00 O ATOM 24 CB THR A 2 10.473 10.507 1.456 1.00 0.00 C ATOM 25 OG1 THR A 2 9.748 10.005 0.371 1.00 0.00 O ATOM 26 CG2 THR A 2 11.150 11.791 0.978 1.00 0.00 C ATOM 0 H THR A 2 12.088 8.582 0.205 1.00 0.00 H new ATOM 0 HA THR A 2 11.921 9.831 2.866 1.00 0.00 H new ATOM 0 HB THR A 2 9.846 10.760 2.311 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.366 9.622 -0.286 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.393 12.493 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.706 12.238 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.835 11.559 0.162 1.00 0.00 H new ATOM 34 N LYS A 3 9.865 8.216 3.459 1.00 0.00 N ATOM 35 CA LYS A 3 9.266 7.061 4.153 1.00 0.00 C ATOM 36 C LYS A 3 8.802 5.898 3.268 1.00 0.00 C ATOM 37 O LYS A 3 9.283 4.780 3.451 1.00 0.00 O ATOM 38 CB LYS A 3 8.164 7.541 5.112 1.00 0.00 C ATOM 39 CG LYS A 3 7.719 6.397 6.032 1.00 0.00 C ATOM 40 CD LYS A 3 6.547 6.799 6.932 1.00 0.00 C ATOM 41 CE LYS A 3 6.120 5.591 7.768 1.00 0.00 C ATOM 42 NZ LYS A 3 4.885 5.871 8.520 1.00 0.00 N ATOM 0 H LYS A 3 9.588 9.107 3.872 1.00 0.00 H new ATOM 0 HA LYS A 3 10.083 6.612 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.532 8.375 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.312 7.909 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.431 5.537 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.559 6.084 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.839 7.623 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.712 7.151 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.964 4.731 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.918 5.325 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.630 5.040 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.037 6.687 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.114 6.084 7.855 1.00 0.00 H new ATOM 56 N CYS A 4 7.875 6.135 2.334 1.00 0.00 N ATOM 57 CA CYS A 4 7.380 5.064 1.470 1.00 0.00 C ATOM 58 C CYS A 4 8.522 4.471 0.631 1.00 0.00 C ATOM 59 O CYS A 4 8.732 3.263 0.659 1.00 0.00 O ATOM 60 CB CYS A 4 6.215 5.573 0.616 1.00 0.00 C ATOM 61 SG CYS A 4 5.361 4.306 -0.344 1.00 0.00 S ATOM 0 H CYS A 4 7.458 7.049 2.160 1.00 0.00 H new ATOM 0 HA CYS A 4 6.995 4.251 2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.492 6.061 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.591 6.334 -0.068 1.00 0.00 H new ATOM 66 N GLN A 5 9.314 5.315 -0.043 1.00 0.00 N ATOM 67 CA GLN A 5 10.471 4.883 -0.834 1.00 0.00 C ATOM 68 C GLN A 5 11.491 4.090 -0.006 1.00 0.00 C ATOM 69 O GLN A 5 12.028 3.098 -0.500 1.00 0.00 O ATOM 70 CB GLN A 5 11.195 6.098 -1.440 1.00 0.00 C ATOM 71 CG GLN A 5 10.332 6.995 -2.336 1.00 0.00 C ATOM 72 CD GLN A 5 10.991 8.361 -2.514 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.212 9.091 -1.554 1.00 0.00 O ATOM 74 NE2 GLN A 5 11.305 8.768 -3.728 1.00 0.00 N ATOM 0 H GLN A 5 9.168 6.324 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 5 10.076 4.235 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.597 6.703 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.045 5.741 -2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.192 6.522 -3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.343 7.116 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.124 8.165 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.729 9.685 -3.865 1.00 0.00 H new ATOM 83 N GLU A 6 11.760 4.507 1.237 1.00 0.00 N ATOM 84 CA GLU A 6 12.626 3.785 2.172 1.00 0.00 C ATOM 85 C GLU A 6 12.060 2.395 2.453 1.00 0.00 C ATOM 86 O GLU A 6 12.727 1.398 2.194 1.00 0.00 O ATOM 87 CB GLU A 6 12.768 4.566 3.486 1.00 0.00 C ATOM 88 CG GLU A 6 13.576 5.860 3.333 1.00 0.00 C ATOM 89 CD GLU A 6 13.586 6.665 4.632 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.646 7.474 4.807 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.523 6.454 5.432 1.00 0.00 O ATOM 0 H GLU A 6 11.376 5.368 1.626 1.00 0.00 H new ATOM 0 HA GLU A 6 13.611 3.682 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.776 4.807 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.249 3.930 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.599 5.620 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.151 6.464 2.531 1.00 0.00 H new ATOM 98 N GLU A 7 10.819 2.314 2.942 1.00 0.00 N ATOM 99 CA GLU A 7 10.190 1.038 3.293 1.00 0.00 C ATOM 100 C GLU A 7 10.050 0.101 2.084 1.00 0.00 C ATOM 101 O GLU A 7 10.272 -1.100 2.222 1.00 0.00 O ATOM 102 CB GLU A 7 8.840 1.297 3.977 1.00 0.00 C ATOM 103 CG GLU A 7 9.044 1.934 5.362 1.00 0.00 C ATOM 104 CD GLU A 7 7.716 2.204 6.068 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.940 3.036 5.543 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.484 1.575 7.122 1.00 0.00 O ATOM 0 H GLU A 7 10.225 3.127 3.105 1.00 0.00 H new ATOM 0 HA GLU A 7 10.843 0.519 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.232 1.954 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.293 0.360 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.655 1.274 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.594 2.869 5.254 1.00 0.00 H new ATOM 113 N VAL A 8 9.759 0.638 0.894 1.00 0.00 N ATOM 114 CA VAL A 8 9.699 -0.117 -0.366 1.00 0.00 C ATOM 115 C VAL A 8 11.090 -0.539 -0.853 1.00 0.00 C ATOM 116 O VAL A 8 11.235 -1.571 -1.502 1.00 0.00 O ATOM 117 CB VAL A 8 8.962 0.710 -1.432 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.902 0.071 -2.825 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.498 0.870 -1.012 1.00 0.00 C ATOM 0 H VAL A 8 9.554 1.630 0.776 1.00 0.00 H new ATOM 0 HA VAL A 8 9.143 -1.037 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 8 9.526 1.640 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.363 0.730 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.914 -0.085 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.386 -0.887 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.966 1.456 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.035 -0.113 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.449 1.381 -0.051 1.00 0.00 H new ATOM 129 N SER A 9 12.128 0.234 -0.529 1.00 0.00 N ATOM 130 CA SER A 9 13.527 -0.167 -0.739 1.00 0.00 C ATOM 131 C SER A 9 13.969 -1.257 0.250 1.00 0.00 C ATOM 132 O SER A 9 14.743 -2.135 -0.121 1.00 0.00 O ATOM 133 CB SER A 9 14.476 1.030 -0.630 1.00 0.00 C ATOM 134 OG SER A 9 14.094 2.053 -1.526 1.00 0.00 O ATOM 0 H SER A 9 12.026 1.159 -0.112 1.00 0.00 H new ATOM 0 HA SER A 9 13.579 -0.573 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.471 1.413 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.496 0.713 -0.846 1.00 0.00 H new ATOM 0 HG SER A 9 13.555 2.720 -1.051 1.00 0.00 H new ATOM 140 N HIS A 10 13.494 -1.207 1.501 1.00 0.00 N ATOM 141 CA HIS A 10 13.789 -2.195 2.544 1.00 0.00 C ATOM 142 C HIS A 10 13.064 -3.530 2.316 1.00 0.00 C ATOM 143 O HIS A 10 13.684 -4.584 2.434 1.00 0.00 O ATOM 144 CB HIS A 10 13.434 -1.623 3.926 1.00 0.00 C ATOM 145 CG HIS A 10 14.157 -0.348 4.294 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.373 0.087 3.809 1.00 0.00 N ATOM 147 CD2 HIS A 10 13.697 0.604 5.163 1.00 0.00 C ATOM 148 CE1 HIS A 10 15.628 1.282 4.371 1.00 0.00 C ATOM 149 NE2 HIS A 10 14.639 1.636 5.205 1.00 0.00 N ATOM 0 H HIS A 10 12.879 -0.460 1.823 1.00 0.00 H new ATOM 0 HA HIS A 10 14.858 -2.404 2.497 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.361 -1.437 3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.652 -2.378 4.682 1.00 0.00 H new ATOM 0 HD2 HIS A 10 12.771 0.565 5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.509 1.876 4.177 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.585 2.490 5.760 1.00 0.00 H new ATOM 157 N ILE A 11 11.760 -3.496 2.008 1.00 0.00 N ATOM 158 CA ILE A 11 10.955 -4.674 1.661 1.00 0.00 C ATOM 159 C ILE A 11 11.300 -5.080 0.215 1.00 0.00 C ATOM 160 O ILE A 11 10.966 -4.330 -0.703 1.00 0.00 O ATOM 161 CB ILE A 11 9.445 -4.375 1.821 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.091 -4.010 3.284 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.614 -5.599 1.382 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.744 -3.288 3.420 1.00 0.00 C ATOM 0 H ILE A 11 11.224 -2.628 1.993 1.00 0.00 H new ATOM 0 HA ILE A 11 11.184 -5.499 2.336 1.00 0.00 H new ATOM 0 HB ILE A 11 9.208 -3.521 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.070 -4.920 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.878 -3.377 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.553 -5.379 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.825 -5.826 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.876 -6.458 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.557 -3.061 4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.769 -2.361 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.948 -3.928 3.040 1.00 0.00 H new ATOM 176 N PRO A 12 11.961 -6.228 -0.034 1.00 0.00 N ATOM 177 CA PRO A 12 12.390 -6.601 -1.380 1.00 0.00 C ATOM 178 C PRO A 12 11.193 -6.925 -2.284 1.00 0.00 C ATOM 179 O PRO A 12 10.165 -7.413 -1.821 1.00 0.00 O ATOM 180 CB PRO A 12 13.302 -7.818 -1.186 1.00 0.00 C ATOM 181 CG PRO A 12 12.751 -8.469 0.083 1.00 0.00 C ATOM 182 CD PRO A 12 12.316 -7.267 0.921 1.00 0.00 C ATOM 0 HA PRO A 12 12.911 -5.785 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.256 -8.496 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.345 -7.525 -1.068 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.915 -9.134 -0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.508 -9.065 0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.468 -7.520 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.120 -6.936 1.578 1.00 0.00 H new ATOM 190 N ALA A 13 11.355 -6.712 -3.596 1.00 0.00 N ATOM 191 CA ALA A 13 10.291 -6.880 -4.590 1.00 0.00 C ATOM 192 C ALA A 13 9.692 -8.298 -4.640 1.00 0.00 C ATOM 193 O ALA A 13 8.524 -8.459 -4.992 1.00 0.00 O ATOM 194 CB ALA A 13 10.834 -6.458 -5.959 1.00 0.00 C ATOM 0 H ALA A 13 12.242 -6.414 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 13 9.459 -6.242 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.055 -6.577 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.146 -5.414 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.688 -7.083 -6.220 1.00 0.00 H new ATOM 200 N VAL A 14 10.450 -9.327 -4.233 1.00 0.00 N ATOM 201 CA VAL A 14 9.955 -10.699 -4.029 1.00 0.00 C ATOM 202 C VAL A 14 9.183 -10.776 -2.696 1.00 0.00 C ATOM 203 O VAL A 14 9.543 -11.511 -1.780 1.00 0.00 O ATOM 204 CB VAL A 14 11.100 -11.738 -4.133 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.542 -13.166 -4.253 1.00 0.00 C ATOM 206 CG2 VAL A 14 11.981 -11.504 -5.372 1.00 0.00 C ATOM 0 H VAL A 14 11.445 -9.228 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 14 9.259 -10.955 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 14 11.689 -11.620 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.367 -13.874 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.941 -13.397 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.922 -13.240 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.770 -12.255 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.371 -11.580 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.427 -10.511 -5.319 1.00 0.00 H new ATOM 216 N HIS A 15 8.112 -9.982 -2.590 1.00 0.00 N ATOM 217 CA HIS A 15 7.267 -9.863 -1.402 1.00 0.00 C ATOM 218 C HIS A 15 6.040 -10.806 -1.277 1.00 0.00 C ATOM 219 O HIS A 15 5.482 -10.798 -0.174 1.00 0.00 O ATOM 220 CB HIS A 15 6.823 -8.400 -1.256 1.00 0.00 C ATOM 221 CG HIS A 15 5.654 -8.006 -2.124 1.00 0.00 C ATOM 222 ND1 HIS A 15 4.331 -8.048 -1.748 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.713 -7.476 -3.385 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.608 -7.544 -2.761 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.403 -7.193 -3.783 1.00 0.00 N ATOM 0 H HIS A 15 7.801 -9.385 -3.356 1.00 0.00 H new ATOM 0 HA HIS A 15 7.909 -10.200 -0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.562 -8.216 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.668 -7.753 -1.492 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.966 -8.398 -0.862 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.608 -7.307 -3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.533 -7.436 -2.754 1.00 0.00 H new ATOM 233 N PRO A 16 5.569 -11.582 -2.291 1.00 0.00 N ATOM 234 CA PRO A 16 4.381 -12.442 -2.180 1.00 0.00 C ATOM 235 C PRO A 16 4.275 -13.227 -0.867 1.00 0.00 C ATOM 236 O PRO A 16 5.218 -13.887 -0.435 1.00 0.00 O ATOM 237 CB PRO A 16 4.411 -13.362 -3.400 1.00 0.00 C ATOM 238 CG PRO A 16 5.007 -12.446 -4.462 1.00 0.00 C ATOM 239 CD PRO A 16 6.044 -11.649 -3.672 1.00 0.00 C ATOM 0 HA PRO A 16 3.487 -11.818 -2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.025 -14.247 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.416 -13.712 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.463 -13.011 -5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.252 -11.798 -4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.020 -12.131 -3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.161 -10.649 -4.089 1.00 0.00 H new ATOM 247 N GLY A 17 3.111 -13.111 -0.222 1.00 0.00 N ATOM 248 CA GLY A 17 2.840 -13.564 1.143 1.00 0.00 C ATOM 249 C GLY A 17 2.858 -12.398 2.139 1.00 0.00 C ATOM 250 O GLY A 17 2.162 -12.447 3.152 1.00 0.00 O ATOM 0 H GLY A 17 2.296 -12.679 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.869 -14.057 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.584 -14.305 1.436 1.00 0.00 H new ATOM 254 N SER A 18 3.566 -11.308 1.818 1.00 0.00 N ATOM 255 CA SER A 18 3.711 -10.089 2.622 1.00 0.00 C ATOM 256 C SER A 18 3.270 -8.830 1.860 1.00 0.00 C ATOM 257 O SER A 18 3.158 -8.832 0.631 1.00 0.00 O ATOM 258 CB SER A 18 5.165 -9.966 3.095 1.00 0.00 C ATOM 259 OG SER A 18 6.036 -9.626 2.036 1.00 0.00 O ATOM 0 H SER A 18 4.082 -11.250 0.940 1.00 0.00 H new ATOM 0 HA SER A 18 3.051 -10.170 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.230 -9.208 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.484 -10.909 3.539 1.00 0.00 H new ATOM 0 HG SER A 18 5.641 -9.908 1.184 1.00 0.00 H new ATOM 265 N PHE A 19 3.022 -7.739 2.592 1.00 0.00 N ATOM 266 CA PHE A 19 2.720 -6.426 2.024 1.00 0.00 C ATOM 267 C PHE A 19 4.008 -5.679 1.643 1.00 0.00 C ATOM 268 O PHE A 19 4.986 -5.697 2.389 1.00 0.00 O ATOM 269 CB PHE A 19 1.904 -5.620 3.046 1.00 0.00 C ATOM 270 CG PHE A 19 1.649 -4.171 2.663 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.998 -3.855 1.455 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.083 -3.131 3.509 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.799 -2.512 1.088 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.866 -1.788 3.151 1.00 0.00 C ATOM 275 CZ PHE A 19 1.229 -1.478 1.937 1.00 0.00 C ATOM 0 H PHE A 19 3.026 -7.746 3.612 1.00 0.00 H new ATOM 0 HA PHE A 19 2.138 -6.554 1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.945 -6.115 3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.425 -5.641 4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.650 -4.647 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.584 -3.366 4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.315 -2.275 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.189 -0.995 3.809 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.070 -0.447 1.657 1.00 0.00 H new ATOM 285 N ARG A 20 3.969 -4.967 0.510 1.00 0.00 N ATOM 286 CA ARG A 20 5.001 -4.043 0.030 1.00 0.00 C ATOM 287 C ARG A 20 4.304 -2.777 -0.494 1.00 0.00 C ATOM 288 O ARG A 20 3.464 -2.913 -1.385 1.00 0.00 O ATOM 289 CB ARG A 20 5.829 -4.737 -1.058 1.00 0.00 C ATOM 290 CG ARG A 20 6.996 -3.864 -1.534 1.00 0.00 C ATOM 291 CD ARG A 20 7.890 -4.650 -2.495 1.00 0.00 C ATOM 292 NE ARG A 20 9.136 -3.921 -2.761 1.00 0.00 N ATOM 293 CZ ARG A 20 9.555 -3.396 -3.902 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.872 -3.508 -5.016 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.683 -2.732 -3.914 1.00 0.00 N ATOM 0 H ARG A 20 3.176 -5.024 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 20 5.684 -3.756 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.215 -5.681 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.186 -4.977 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.613 -2.972 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.580 -3.527 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.119 -5.627 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.359 -4.826 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 20 9.760 -3.804 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.986 -4.013 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.227 -3.090 -5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.222 -2.627 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.023 -2.320 -4.783 1.00 0.00 H new ATOM 309 N PRO A 21 4.556 -1.580 0.073 1.00 0.00 N ATOM 310 CA PRO A 21 3.850 -0.366 -0.332 1.00 0.00 C ATOM 311 C PRO A 21 4.039 0.063 -1.796 1.00 0.00 C ATOM 312 O PRO A 21 4.957 -0.360 -2.496 1.00 0.00 O ATOM 313 CB PRO A 21 4.331 0.743 0.607 1.00 0.00 C ATOM 314 CG PRO A 21 4.914 0.015 1.814 1.00 0.00 C ATOM 315 CD PRO A 21 5.376 -1.327 1.251 1.00 0.00 C ATOM 0 HA PRO A 21 2.781 -0.567 -0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.081 1.370 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.509 1.396 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.743 0.570 2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.169 -0.117 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.434 -1.296 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.254 -2.121 1.988 1.00 0.00 H new ATOM 323 N LYS A 22 3.175 0.994 -2.211 1.00 0.00 N ATOM 324 CA LYS A 22 3.180 1.760 -3.462 1.00 0.00 C ATOM 325 C LYS A 22 3.304 3.253 -3.123 1.00 0.00 C ATOM 326 O LYS A 22 2.686 3.709 -2.160 1.00 0.00 O ATOM 327 CB LYS A 22 1.865 1.486 -4.223 1.00 0.00 C ATOM 328 CG LYS A 22 1.854 0.235 -5.118 1.00 0.00 C ATOM 329 CD LYS A 22 1.971 -1.129 -4.423 1.00 0.00 C ATOM 330 CE LYS A 22 0.858 -1.400 -3.406 1.00 0.00 C ATOM 331 NZ LYS A 22 1.003 -2.761 -2.856 1.00 0.00 N ATOM 0 H LYS A 22 2.381 1.255 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 22 4.020 1.465 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.059 1.395 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.639 2.354 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.929 0.241 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.675 0.322 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.959 -1.914 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.935 -1.188 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.902 -0.666 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.116 -1.293 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.173 -2.990 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.076 -3.445 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.862 -2.810 -2.272 1.00 0.00 H new ATOM 345 N CYS A 23 4.046 4.033 -3.920 1.00 0.00 N ATOM 346 CA CYS A 23 4.383 5.432 -3.611 1.00 0.00 C ATOM 347 C CYS A 23 4.221 6.361 -4.816 1.00 0.00 C ATOM 348 O CYS A 23 4.246 5.922 -5.965 1.00 0.00 O ATOM 349 CB CYS A 23 5.843 5.514 -3.121 1.00 0.00 C ATOM 350 SG CYS A 23 6.462 4.188 -2.047 1.00 0.00 S ATOM 0 H CYS A 23 4.434 3.709 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 23 3.688 5.762 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.487 5.559 -3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.963 6.457 -2.588 1.00 0.00 H new ATOM 355 N ASP A 24 4.066 7.659 -4.540 1.00 0.00 N ATOM 356 CA ASP A 24 3.854 8.704 -5.532 1.00 0.00 C ATOM 357 C ASP A 24 5.131 9.484 -5.900 1.00 0.00 C ATOM 358 O ASP A 24 6.210 9.264 -5.350 1.00 0.00 O ATOM 359 CB ASP A 24 2.711 9.633 -5.073 1.00 0.00 C ATOM 360 CG ASP A 24 3.059 10.613 -3.947 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.136 10.474 -3.328 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.271 11.566 -3.769 1.00 0.00 O ATOM 0 H ASP A 24 4.086 8.018 -3.586 1.00 0.00 H new ATOM 0 HA ASP A 24 3.561 8.214 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.366 10.206 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.875 9.015 -4.746 1.00 0.00 H new ATOM 367 N GLU A 25 4.990 10.459 -6.805 1.00 0.00 N ATOM 368 CA GLU A 25 6.080 11.342 -7.246 1.00 0.00 C ATOM 369 C GLU A 25 6.677 12.217 -6.128 1.00 0.00 C ATOM 370 O GLU A 25 7.783 12.727 -6.272 1.00 0.00 O ATOM 371 CB GLU A 25 5.644 12.195 -8.458 1.00 0.00 C ATOM 372 CG GLU A 25 4.718 13.401 -8.185 1.00 0.00 C ATOM 373 CD GLU A 25 3.279 13.071 -7.766 1.00 0.00 C ATOM 374 OE1 GLU A 25 2.868 11.897 -7.915 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.600 14.007 -7.289 1.00 0.00 O ATOM 0 H GLU A 25 4.100 10.662 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 25 6.890 10.680 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.544 12.566 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.141 11.538 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.171 14.010 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.680 14.014 -9.085 1.00 0.00 H new ATOM 382 N ASN A 26 5.965 12.351 -5.004 1.00 0.00 N ATOM 383 CA ASN A 26 6.398 13.039 -3.786 1.00 0.00 C ATOM 384 C ASN A 26 7.078 12.075 -2.790 1.00 0.00 C ATOM 385 O ASN A 26 7.298 12.441 -1.636 1.00 0.00 O ATOM 386 CB ASN A 26 5.179 13.741 -3.151 1.00 0.00 C ATOM 387 CG ASN A 26 4.384 14.550 -4.167 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.856 15.532 -4.714 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.176 14.129 -4.482 1.00 0.00 N ATOM 0 H ASN A 26 5.026 11.963 -4.916 1.00 0.00 H new ATOM 0 HA ASN A 26 7.150 13.784 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.529 12.994 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.518 14.399 -2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.631 14.625 -5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.786 13.307 -4.021 1.00 0.00 H new ATOM 396 N GLY A 27 7.341 10.822 -3.194 1.00 0.00 N ATOM 397 CA GLY A 27 7.943 9.765 -2.382 1.00 0.00 C ATOM 398 C GLY A 27 7.078 9.265 -1.217 1.00 0.00 C ATOM 399 O GLY A 27 7.501 8.396 -0.456 1.00 0.00 O ATOM 0 H GLY A 27 7.128 10.509 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.177 8.920 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.888 10.130 -1.981 1.00 0.00 H new ATOM 403 N ASN A 28 5.862 9.795 -1.088 1.00 0.00 N ATOM 404 CA ASN A 28 4.890 9.467 -0.058 1.00 0.00 C ATOM 405 C ASN A 28 4.068 8.257 -0.517 1.00 0.00 C ATOM 406 O ASN A 28 4.115 7.875 -1.689 1.00 0.00 O ATOM 407 CB ASN A 28 4.013 10.711 0.182 1.00 0.00 C ATOM 408 CG ASN A 28 4.665 11.737 1.102 1.00 0.00 C ATOM 409 OD1 ASN A 28 4.191 11.987 2.198 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.752 12.375 0.710 1.00 0.00 N ATOM 0 H ASN A 28 5.515 10.502 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 28 5.372 9.198 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.791 11.181 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.061 10.399 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.185 13.067 1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.159 12.176 -0.204 1.00 0.00 H new ATOM 417 N TYR A 29 3.299 7.657 0.395 1.00 0.00 N ATOM 418 CA TYR A 29 2.420 6.544 0.051 1.00 0.00 C ATOM 419 C TYR A 29 1.408 6.974 -1.015 1.00 0.00 C ATOM 420 O TYR A 29 0.783 8.030 -0.895 1.00 0.00 O ATOM 421 CB TYR A 29 1.698 6.026 1.296 1.00 0.00 C ATOM 422 CG TYR A 29 2.509 5.081 2.164 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.573 5.552 2.962 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.160 3.719 2.202 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.306 4.657 3.769 1.00 0.00 C ATOM 426 CE2 TYR A 29 2.860 2.830 3.034 1.00 0.00 C ATOM 427 CZ TYR A 29 3.947 3.291 3.802 1.00 0.00 C ATOM 428 OH TYR A 29 4.619 2.397 4.573 1.00 0.00 O ATOM 0 H TYR A 29 3.270 7.926 1.378 1.00 0.00 H new ATOM 0 HA TYR A 29 3.028 5.736 -0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.393 6.879 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.787 5.516 0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.827 6.602 2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.349 3.355 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.137 5.014 4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.565 1.792 3.085 1.00 0.00 H new ATOM 0 HH TYR A 29 5.413 2.826 4.955 1.00 0.00 H new ATOM 438 N LEU A 30 1.234 6.145 -2.053 1.00 0.00 N ATOM 439 CA LEU A 30 0.149 6.339 -3.007 1.00 0.00 C ATOM 440 C LEU A 30 -1.193 6.216 -2.246 1.00 0.00 C ATOM 441 O LEU A 30 -1.303 5.318 -1.406 1.00 0.00 O ATOM 442 CB LEU A 30 0.228 5.323 -4.168 1.00 0.00 C ATOM 443 CG LEU A 30 0.757 5.932 -5.480 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.093 4.831 -6.486 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.241 6.893 -6.134 1.00 0.00 C ATOM 0 H LEU A 30 1.830 5.340 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 30 0.231 7.329 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.874 4.496 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.764 4.906 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 30 1.651 6.495 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.465 5.281 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.857 4.176 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.196 4.250 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.187 7.291 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.163 6.359 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.457 7.714 -5.450 1.00 0.00 H new ATOM 457 N PRO A 31 -2.217 7.055 -2.513 1.00 0.00 N ATOM 458 CA PRO A 31 -3.478 7.051 -1.764 1.00 0.00 C ATOM 459 C PRO A 31 -4.205 5.702 -1.658 1.00 0.00 C ATOM 460 O PRO A 31 -4.954 5.519 -0.704 1.00 0.00 O ATOM 461 CB PRO A 31 -4.364 8.097 -2.448 1.00 0.00 C ATOM 462 CG PRO A 31 -3.347 9.098 -2.985 1.00 0.00 C ATOM 463 CD PRO A 31 -2.189 8.200 -3.413 1.00 0.00 C ATOM 0 HA PRO A 31 -3.253 7.277 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.963 7.660 -3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.058 8.561 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.746 9.672 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.043 9.816 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.302 7.884 -4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.238 8.729 -3.343 1.00 0.00 H new ATOM 471 N LEU A 32 -3.979 4.765 -2.592 1.00 0.00 N ATOM 472 CA LEU A 32 -4.429 3.371 -2.541 1.00 0.00 C ATOM 473 C LEU A 32 -3.239 2.444 -2.258 1.00 0.00 C ATOM 474 O LEU A 32 -2.177 2.598 -2.862 1.00 0.00 O ATOM 475 CB LEU A 32 -5.079 2.997 -3.893 1.00 0.00 C ATOM 476 CG LEU A 32 -5.663 1.566 -3.946 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.978 1.433 -3.194 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.924 1.136 -5.390 1.00 0.00 C ATOM 0 H LEU A 32 -3.453 4.971 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.160 3.255 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.875 3.710 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.334 3.102 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.914 0.932 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.337 0.407 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.825 1.689 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.716 2.108 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.334 0.126 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.635 1.822 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.989 1.153 -5.949 1.00 0.00 H new ATOM 490 N GLN A 33 -3.447 1.436 -1.406 1.00 0.00 N ATOM 491 CA GLN A 33 -2.524 0.326 -1.169 1.00 0.00 C ATOM 492 C GLN A 33 -3.275 -1.007 -1.281 1.00 0.00 C ATOM 493 O GLN A 33 -4.477 -1.074 -1.022 1.00 0.00 O ATOM 494 CB GLN A 33 -1.905 0.451 0.231 1.00 0.00 C ATOM 495 CG GLN A 33 -1.140 1.756 0.478 1.00 0.00 C ATOM 496 CD GLN A 33 0.094 1.941 -0.396 1.00 0.00 C ATOM 497 OE1 GLN A 33 0.949 1.073 -0.497 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.280 3.100 -0.990 1.00 0.00 N ATOM 0 H GLN A 33 -4.295 1.370 -0.842 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.731 0.358 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.698 0.365 0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.227 -0.388 0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.816 2.595 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.837 1.792 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.426 3.832 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.131 3.267 -1.528 1.00 0.00 H new ATOM 507 N CYS A 34 -2.555 -2.078 -1.631 1.00 0.00 N ATOM 508 CA CYS A 34 -3.106 -3.427 -1.759 1.00 0.00 C ATOM 509 C CYS A 34 -2.134 -4.488 -1.235 1.00 0.00 C ATOM 510 O CYS A 34 -0.921 -4.281 -1.215 1.00 0.00 O ATOM 511 CB CYS A 34 -3.451 -3.708 -3.229 1.00 0.00 C ATOM 512 SG CYS A 34 -4.699 -2.645 -4.005 1.00 0.00 S ATOM 0 H CYS A 34 -1.557 -2.029 -1.836 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.010 -3.480 -1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.533 -3.632 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.792 -4.740 -3.305 1.00 0.00 H new ATOM 517 N TYR A 35 -2.681 -5.650 -0.873 1.00 0.00 N ATOM 518 CA TYR A 35 -1.967 -6.832 -0.392 1.00 0.00 C ATOM 519 C TYR A 35 -2.580 -8.062 -1.077 1.00 0.00 C ATOM 520 O TYR A 35 -3.430 -8.765 -0.527 1.00 0.00 O ATOM 521 CB TYR A 35 -2.031 -6.843 1.145 1.00 0.00 C ATOM 522 CG TYR A 35 -1.247 -7.882 1.934 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.457 -8.884 1.329 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.347 -7.837 3.340 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.186 -9.852 2.126 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.703 -8.799 4.136 1.00 0.00 C ATOM 527 CZ TYR A 35 0.057 -9.820 3.533 1.00 0.00 C ATOM 528 OH TYR A 35 0.665 -10.744 4.325 1.00 0.00 O ATOM 0 H TYR A 35 -3.689 -5.799 -0.910 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.907 -6.832 -0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.705 -5.861 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.079 -6.947 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.346 -8.908 0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.925 -7.055 3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.781 -10.623 1.659 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.791 -8.756 5.212 1.00 0.00 H new ATOM 0 HH TYR A 35 0.952 -11.505 3.779 1.00 0.00 H new ATOM 538 N GLY A 36 -2.160 -8.290 -2.329 1.00 0.00 N ATOM 539 CA GLY A 36 -2.753 -9.279 -3.234 1.00 0.00 C ATOM 540 C GLY A 36 -2.826 -10.694 -2.657 1.00 0.00 C ATOM 541 O GLY A 36 -3.816 -11.384 -2.877 1.00 0.00 O ATOM 0 H GLY A 36 -1.382 -7.780 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.759 -8.955 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.173 -9.304 -4.156 1.00 0.00 H new ATOM 545 N SER A 37 -1.827 -11.107 -1.866 1.00 0.00 N ATOM 546 CA SER A 37 -1.767 -12.426 -1.223 1.00 0.00 C ATOM 547 C SER A 37 -2.895 -12.708 -0.216 1.00 0.00 C ATOM 548 O SER A 37 -3.091 -13.867 0.132 1.00 0.00 O ATOM 549 CB SER A 37 -0.408 -12.616 -0.543 1.00 0.00 C ATOM 550 OG SER A 37 0.643 -12.302 -1.441 1.00 0.00 O ATOM 0 H SER A 37 -1.021 -10.521 -1.651 1.00 0.00 H new ATOM 0 HA SER A 37 -1.905 -13.147 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.344 -11.979 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.307 -13.646 -0.201 1.00 0.00 H new ATOM 0 HG SER A 37 0.973 -11.398 -1.255 1.00 0.00 H new ATOM 556 N ILE A 38 -3.654 -11.689 0.220 1.00 0.00 N ATOM 557 CA ILE A 38 -4.889 -11.830 0.996 1.00 0.00 C ATOM 558 C ILE A 38 -6.112 -11.261 0.249 1.00 0.00 C ATOM 559 O ILE A 38 -7.209 -11.232 0.804 1.00 0.00 O ATOM 560 CB ILE A 38 -4.725 -11.211 2.399 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.325 -9.723 2.362 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.745 -12.037 3.246 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.483 -9.007 3.710 1.00 0.00 C ATOM 0 H ILE A 38 -3.414 -10.715 0.034 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.081 -12.895 1.124 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.706 -11.244 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.287 -9.643 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.933 -9.211 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.644 -11.583 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.123 -13.054 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.772 -12.061 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.183 -7.964 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.525 -9.054 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.854 -9.493 4.456 1.00 0.00 H new ATOM 575 N GLY A 39 -5.944 -10.809 -1.001 1.00 0.00 N ATOM 576 CA GLY A 39 -7.021 -10.307 -1.852 1.00 0.00 C ATOM 577 C GLY A 39 -7.672 -9.030 -1.322 1.00 0.00 C ATOM 578 O GLY A 39 -8.894 -8.911 -1.402 1.00 0.00 O ATOM 0 H GLY A 39 -5.031 -10.783 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.626 -10.117 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.784 -11.079 -1.953 1.00 0.00 H new ATOM 582 N TYR A 40 -6.886 -8.108 -0.750 1.00 0.00 N ATOM 583 CA TYR A 40 -7.388 -6.862 -0.154 1.00 0.00 C ATOM 584 C TYR A 40 -6.683 -5.601 -0.666 1.00 0.00 C ATOM 585 O TYR A 40 -5.490 -5.620 -0.981 1.00 0.00 O ATOM 586 CB TYR A 40 -7.198 -6.887 1.379 1.00 0.00 C ATOM 587 CG TYR A 40 -8.289 -7.554 2.191 1.00 0.00 C ATOM 588 CD1 TYR A 40 -9.473 -6.846 2.471 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.104 -8.843 2.723 1.00 0.00 C ATOM 590 CE1 TYR A 40 -10.484 -7.431 3.254 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.105 -9.436 3.512 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.301 -8.733 3.771 1.00 0.00 C ATOM 593 OH TYR A 40 -11.309 -9.346 4.444 1.00 0.00 O ATOM 0 H TYR A 40 -5.873 -8.207 -0.687 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.438 -6.815 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.256 -7.391 1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.097 -5.859 1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.606 -5.847 2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.188 -9.380 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.395 -6.888 3.459 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.959 -10.426 3.918 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.017 -10.236 4.731 1.00 0.00 H new ATOM 603 N CYS A 41 -7.424 -4.488 -0.634 1.00 0.00 N ATOM 604 CA CYS A 41 -6.931 -3.123 -0.795 1.00 0.00 C ATOM 605 C CYS A 41 -7.582 -2.209 0.246 1.00 0.00 C ATOM 606 O CYS A 41 -8.640 -2.521 0.803 1.00 0.00 O ATOM 607 CB CYS A 41 -7.163 -2.553 -2.200 1.00 0.00 C ATOM 608 SG CYS A 41 -6.502 -3.510 -3.590 1.00 0.00 S ATOM 0 H CYS A 41 -8.433 -4.520 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.852 -3.163 -0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.237 -2.438 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.728 -1.554 -2.238 1.00 0.00 H new ATOM 613 N TRP A 42 -6.931 -1.074 0.488 1.00 0.00 N ATOM 614 CA TRP A 42 -7.402 0.004 1.346 1.00 0.00 C ATOM 615 C TRP A 42 -6.799 1.331 0.873 1.00 0.00 C ATOM 616 O TRP A 42 -5.770 1.361 0.193 1.00 0.00 O ATOM 617 CB TRP A 42 -7.005 -0.291 2.799 1.00 0.00 C ATOM 618 CG TRP A 42 -5.531 -0.388 3.056 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.742 0.632 3.464 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.643 -1.535 2.880 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.447 0.179 3.624 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.328 -1.142 3.262 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.805 -2.867 2.436 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.234 -2.014 3.220 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.712 -3.755 2.380 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.429 -3.331 2.776 1.00 0.00 C ATOM 0 H TRP A 42 -6.021 -0.874 0.072 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.488 0.078 1.292 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.417 0.491 3.436 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.472 -1.228 3.102 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.074 1.645 3.638 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.676 0.752 3.967 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.784 -3.210 2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.254 -1.678 3.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.859 -4.766 2.031 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.597 -4.018 2.738 1.00 0.00 H new ATOM 637 N CYS A 43 -7.407 2.444 1.279 1.00 0.00 N ATOM 638 CA CYS A 43 -6.826 3.767 1.098 1.00 0.00 C ATOM 639 C CYS A 43 -5.933 4.113 2.293 1.00 0.00 C ATOM 640 O CYS A 43 -6.191 3.681 3.419 1.00 0.00 O ATOM 641 CB CYS A 43 -7.918 4.835 0.951 1.00 0.00 C ATOM 642 SG CYS A 43 -9.042 4.630 -0.453 1.00 0.00 S ATOM 0 H CYS A 43 -8.316 2.451 1.742 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.231 3.752 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.510 4.850 1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.437 5.809 0.867 1.00 0.00 H new ATOM 647 N VAL A 44 -4.923 4.952 2.065 1.00 0.00 N ATOM 648 CA VAL A 44 -4.017 5.461 3.102 1.00 0.00 C ATOM 649 C VAL A 44 -3.847 6.973 2.996 1.00 0.00 C ATOM 650 O VAL A 44 -3.969 7.561 1.920 1.00 0.00 O ATOM 651 CB VAL A 44 -2.614 4.818 3.027 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.631 3.312 3.286 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.911 5.068 1.690 1.00 0.00 C ATOM 0 H VAL A 44 -4.704 5.307 1.134 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.481 5.198 4.053 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.055 5.311 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.616 2.920 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.030 3.119 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.259 2.822 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.931 4.591 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.510 4.650 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.791 6.141 1.537 1.00 0.00 H new ATOM 663 N PHE A 45 -3.516 7.596 4.125 1.00 0.00 N ATOM 664 CA PHE A 45 -3.036 8.968 4.171 1.00 0.00 C ATOM 665 C PHE A 45 -1.544 8.954 3.737 1.00 0.00 C ATOM 666 O PHE A 45 -0.908 7.898 3.809 1.00 0.00 O ATOM 667 CB PHE A 45 -3.261 9.501 5.596 1.00 0.00 C ATOM 668 CG PHE A 45 -4.730 9.555 6.019 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.598 10.478 5.401 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.227 8.724 7.042 1.00 0.00 C ATOM 671 CE1 PHE A 45 -6.945 10.565 5.801 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.569 8.815 7.448 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.430 9.737 6.828 1.00 0.00 C ATOM 0 H PHE A 45 -3.576 7.154 5.042 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.569 9.635 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.715 8.871 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.836 10.502 5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.228 11.122 4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.571 8.011 7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.607 11.269 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.939 8.176 8.237 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.461 9.809 7.140 1.00 0.00 H new ATOM 683 N PRO A 46 -0.942 10.080 3.292 1.00 0.00 N ATOM 684 CA PRO A 46 0.390 10.106 2.658 1.00 0.00 C ATOM 685 C PRO A 46 1.553 9.430 3.413 1.00 0.00 C ATOM 686 O PRO A 46 2.523 9.003 2.786 1.00 0.00 O ATOM 687 CB PRO A 46 0.690 11.589 2.425 1.00 0.00 C ATOM 688 CG PRO A 46 -0.695 12.195 2.224 1.00 0.00 C ATOM 689 CD PRO A 46 -1.566 11.393 3.189 1.00 0.00 C ATOM 0 HA PRO A 46 0.334 9.501 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.205 12.035 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.326 11.739 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.708 13.259 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.035 12.092 1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.618 11.878 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.588 11.312 2.818 1.00 0.00 H new ATOM 697 N ASN A 47 1.458 9.289 4.741 1.00 0.00 N ATOM 698 CA ASN A 47 2.442 8.608 5.575 1.00 0.00 C ATOM 699 C ASN A 47 2.244 7.078 5.667 1.00 0.00 C ATOM 700 O ASN A 47 3.036 6.414 6.333 1.00 0.00 O ATOM 701 CB ASN A 47 2.457 9.262 6.970 1.00 0.00 C ATOM 702 CG ASN A 47 1.299 8.826 7.857 1.00 0.00 C ATOM 703 OD1 ASN A 47 0.217 8.472 7.398 1.00 0.00 O ATOM 704 ND2 ASN A 47 1.494 8.802 9.161 1.00 0.00 N ATOM 0 H ASN A 47 0.671 9.658 5.275 1.00 0.00 H new ATOM 0 HA ASN A 47 3.413 8.729 5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.396 9.019 7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.428 10.346 6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.748 8.490 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.391 9.095 9.548 1.00 0.00 H new ATOM 711 N GLY A 48 1.191 6.527 5.050 1.00 0.00 N ATOM 712 CA GLY A 48 0.833 5.106 5.081 1.00 0.00 C ATOM 713 C GLY A 48 -0.276 4.744 6.073 1.00 0.00 C ATOM 714 O GLY A 48 -0.626 3.571 6.181 1.00 0.00 O ATOM 0 H GLY A 48 0.540 7.082 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.520 4.803 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.723 4.527 5.326 1.00 0.00 H new ATOM 718 N THR A 49 -0.843 5.724 6.790 1.00 0.00 N ATOM 719 CA THR A 49 -1.919 5.493 7.767 1.00 0.00 C ATOM 720 C THR A 49 -3.197 5.094 7.034 1.00 0.00 C ATOM 721 O THR A 49 -3.790 5.911 6.335 1.00 0.00 O ATOM 722 CB THR A 49 -2.187 6.725 8.649 1.00 0.00 C ATOM 723 OG1 THR A 49 -0.993 7.194 9.219 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.156 6.421 9.792 1.00 0.00 C ATOM 0 H THR A 49 -0.568 6.703 6.709 1.00 0.00 H new ATOM 0 HA THR A 49 -1.595 4.688 8.427 1.00 0.00 H new ATOM 0 HB THR A 49 -2.628 7.476 7.994 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.688 7.988 8.732 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.313 7.322 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.109 6.086 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.738 5.638 10.425 1.00 0.00 H new ATOM 732 N GLU A 50 -3.602 3.831 7.160 1.00 0.00 N ATOM 733 CA GLU A 50 -4.820 3.285 6.562 1.00 0.00 C ATOM 734 C GLU A 50 -6.101 4.018 6.993 1.00 0.00 C ATOM 735 O GLU A 50 -6.255 4.407 8.148 1.00 0.00 O ATOM 736 CB GLU A 50 -4.873 1.783 6.901 1.00 0.00 C ATOM 737 CG GLU A 50 -6.189 1.091 6.506 1.00 0.00 C ATOM 738 CD GLU A 50 -6.151 -0.438 6.607 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.047 -1.023 6.534 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.244 -1.029 6.743 1.00 0.00 O ATOM 0 H GLU A 50 -3.077 3.140 7.696 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.779 3.433 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.047 1.280 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.718 1.659 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.989 1.466 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.440 1.370 5.483 1.00 0.00 H new ATOM 747 N VAL A 51 -7.036 4.148 6.044 1.00 0.00 N ATOM 748 CA VAL A 51 -8.427 4.566 6.244 1.00 0.00 C ATOM 749 C VAL A 51 -9.205 3.236 6.360 1.00 0.00 C ATOM 750 O VAL A 51 -9.630 2.695 5.330 1.00 0.00 O ATOM 751 CB VAL A 51 -8.927 5.421 5.057 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.351 5.927 5.330 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.028 6.637 4.796 1.00 0.00 C ATOM 0 H VAL A 51 -6.830 3.954 5.064 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.556 5.195 7.124 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.907 4.776 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.692 6.528 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.020 5.077 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.354 6.536 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.421 7.206 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.006 7.271 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.017 6.300 4.567 1.00 0.00 H new ATOM 763 N PRO A 52 -9.396 2.652 7.563 1.00 0.00 N ATOM 764 CA PRO A 52 -9.851 1.261 7.713 1.00 0.00 C ATOM 765 C PRO A 52 -11.205 0.896 7.136 1.00 0.00 C ATOM 766 O PRO A 52 -11.462 -0.226 6.712 1.00 0.00 O ATOM 767 CB PRO A 52 -9.720 0.932 9.202 1.00 0.00 C ATOM 768 CG PRO A 52 -9.866 2.303 9.865 1.00 0.00 C ATOM 769 CD PRO A 52 -9.172 3.239 8.876 1.00 0.00 C ATOM 0 HA PRO A 52 -9.215 0.635 7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.493 0.238 9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.759 0.472 9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.912 2.572 10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.392 2.329 10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.586 4.246 8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.107 3.320 9.093 1.00 0.00 H new ATOM 777 N ASN A 53 -12.017 1.919 7.017 1.00 0.00 N ATOM 778 CA ASN A 53 -13.350 1.915 6.441 1.00 0.00 C ATOM 779 C ASN A 53 -13.358 1.631 4.932 1.00 0.00 C ATOM 780 O ASN A 53 -14.412 1.357 4.365 1.00 0.00 O ATOM 781 CB ASN A 53 -14.043 3.253 6.760 1.00 0.00 C ATOM 782 CG ASN A 53 -13.922 3.651 8.224 1.00 0.00 C ATOM 783 OD1 ASN A 53 -12.900 4.163 8.657 1.00 0.00 O ATOM 784 ND2 ASN A 53 -14.942 3.422 9.025 1.00 0.00 N ATOM 0 H ASN A 53 -11.748 2.847 7.343 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.904 1.093 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.610 4.037 6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.098 3.182 6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.882 3.672 10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.792 2.995 8.658 1.00 0.00 H new ATOM 791 N THR A 54 -12.183 1.671 4.296 1.00 0.00 N ATOM 792 CA THR A 54 -11.983 1.296 2.895 1.00 0.00 C ATOM 793 C THR A 54 -11.549 -0.155 2.715 1.00 0.00 C ATOM 794 O THR A 54 -11.545 -0.607 1.573 1.00 0.00 O ATOM 795 CB THR A 54 -10.952 2.206 2.213 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.692 2.117 2.848 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.423 3.663 2.240 1.00 0.00 C ATOM 0 H THR A 54 -11.323 1.973 4.754 1.00 0.00 H new ATOM 0 HA THR A 54 -12.959 1.418 2.425 1.00 0.00 H new ATOM 0 HB THR A 54 -10.852 1.871 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.732 2.566 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.680 4.295 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.374 3.748 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.551 3.985 3.273 1.00 0.00 H new ATOM 805 N ARG A 55 -11.192 -0.895 3.782 1.00 0.00 N ATOM 806 CA ARG A 55 -10.603 -2.235 3.641 1.00 0.00 C ATOM 807 C ARG A 55 -11.553 -3.191 2.905 1.00 0.00 C ATOM 808 O ARG A 55 -12.561 -3.624 3.461 1.00 0.00 O ATOM 809 CB ARG A 55 -10.167 -2.763 5.013 1.00 0.00 C ATOM 810 CG ARG A 55 -9.596 -4.187 4.901 1.00 0.00 C ATOM 811 CD ARG A 55 -8.710 -4.543 6.094 1.00 0.00 C ATOM 812 NE ARG A 55 -7.419 -3.845 6.007 1.00 0.00 N ATOM 813 CZ ARG A 55 -6.331 -4.279 5.379 1.00 0.00 C ATOM 814 NH1 ARG A 55 -6.322 -5.417 4.724 1.00 0.00 N ATOM 815 NH2 ARG A 55 -5.230 -3.568 5.378 1.00 0.00 N ATOM 0 H ARG A 55 -11.302 -0.586 4.748 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.710 -2.167 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.416 -2.099 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.018 -2.761 5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.416 -4.902 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.018 -4.275 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.214 -4.272 7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.546 -5.620 6.123 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.352 -2.940 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.164 -5.992 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.473 -5.726 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.202 -2.671 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.401 -3.912 4.892 1.00 0.00 H new ATOM 829 N SER A 56 -11.238 -3.499 1.642 1.00 0.00 N ATOM 830 CA SER A 56 -12.138 -4.209 0.730 1.00 0.00 C ATOM 831 C SER A 56 -11.401 -5.153 -0.229 1.00 0.00 C ATOM 832 O SER A 56 -10.175 -5.150 -0.313 1.00 0.00 O ATOM 833 CB SER A 56 -12.981 -3.177 -0.032 1.00 0.00 C ATOM 834 OG SER A 56 -14.034 -3.820 -0.723 1.00 0.00 O ATOM 0 H SER A 56 -10.341 -3.259 1.221 1.00 0.00 H new ATOM 0 HA SER A 56 -12.787 -4.853 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.388 -2.444 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.353 -2.633 -0.737 1.00 0.00 H new ATOM 0 HG SER A 56 -14.566 -3.152 -1.204 1.00 0.00 H new ATOM 840 N ARG A 57 -12.183 -5.941 -0.977 1.00 0.00 N ATOM 841 CA ARG A 57 -11.844 -7.088 -1.839 1.00 0.00 C ATOM 842 C ARG A 57 -10.987 -6.773 -3.073 1.00 0.00 C ATOM 843 O ARG A 57 -10.701 -7.648 -3.886 1.00 0.00 O ATOM 844 CB ARG A 57 -13.176 -7.733 -2.281 1.00 0.00 C ATOM 845 CG ARG A 57 -13.925 -8.467 -1.154 1.00 0.00 C ATOM 846 CD ARG A 57 -13.479 -9.927 -1.021 1.00 0.00 C ATOM 847 NE ARG A 57 -12.069 -10.047 -0.633 1.00 0.00 N ATOM 848 CZ ARG A 57 -11.561 -10.074 0.587 1.00 0.00 C ATOM 849 NH1 ARG A 57 -12.304 -10.183 1.665 1.00 0.00 N ATOM 850 NH2 ARG A 57 -10.266 -9.966 0.720 1.00 0.00 N ATOM 0 H ARG A 57 -13.189 -5.772 -0.997 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.216 -7.753 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.825 -6.958 -2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.976 -8.438 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.756 -7.949 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.997 -8.432 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.101 -10.428 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.637 -10.440 -1.969 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.399 -10.118 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.318 -10.251 1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.867 -10.200 2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.675 -9.864 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.846 -9.984 1.649 1.00 0.00 H new ATOM 864 N GLY A 58 -10.611 -5.511 -3.226 1.00 0.00 N ATOM 865 CA GLY A 58 -9.930 -4.961 -4.394 1.00 0.00 C ATOM 866 C GLY A 58 -9.911 -3.431 -4.406 1.00 0.00 C ATOM 867 O GLY A 58 -10.366 -2.787 -3.461 1.00 0.00 O ATOM 0 H GLY A 58 -10.780 -4.808 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.906 -5.332 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.422 -5.320 -5.298 1.00 0.00 H new ATOM 871 N HIS A 59 -9.339 -2.875 -5.481 1.00 0.00 N ATOM 872 CA HIS A 59 -9.028 -1.454 -5.668 1.00 0.00 C ATOM 873 C HIS A 59 -10.240 -0.518 -5.509 1.00 0.00 C ATOM 874 O HIS A 59 -11.386 -0.909 -5.728 1.00 0.00 O ATOM 875 CB HIS A 59 -8.420 -1.259 -7.071 1.00 0.00 C ATOM 876 CG HIS A 59 -7.333 -2.240 -7.442 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.511 -3.386 -8.186 1.00 0.00 N ATOM 878 CD2 HIS A 59 -5.999 -2.149 -7.143 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.309 -3.973 -8.312 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.362 -3.260 -7.693 1.00 0.00 N ATOM 0 H HIS A 59 -9.066 -3.436 -6.288 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.326 -1.182 -4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.219 -1.330 -7.809 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.014 -0.249 -7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.525 -1.357 -6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.131 -4.897 -8.842 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.369 -3.485 -7.635 1.00 0.00 H new ATOM 888 N HIS A 60 -9.966 0.754 -5.198 1.00 0.00 N ATOM 889 CA HIS A 60 -10.966 1.820 -5.097 1.00 0.00 C ATOM 890 C HIS A 60 -10.333 3.203 -5.354 1.00 0.00 C ATOM 891 O HIS A 60 -9.111 3.361 -5.341 1.00 0.00 O ATOM 892 CB HIS A 60 -11.718 1.732 -3.749 1.00 0.00 C ATOM 893 CG HIS A 60 -11.001 1.020 -2.623 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.311 -0.224 -2.122 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.905 1.462 -1.940 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.440 -0.489 -1.133 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.555 0.504 -0.999 1.00 0.00 N ATOM 0 H HIS A 60 -9.018 1.077 -5.005 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.712 1.682 -5.880 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.949 2.745 -3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.669 1.228 -3.921 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.064 -0.833 -2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.396 2.400 -2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.453 -1.384 -0.528 1.00 0.00 H new ATOM 905 N ASN A 61 -11.169 4.219 -5.603 1.00 0.00 N ATOM 906 CA ASN A 61 -10.780 5.537 -6.086 1.00 0.00 C ATOM 907 C ASN A 61 -10.377 6.462 -4.936 1.00 0.00 C ATOM 908 O ASN A 61 -11.030 7.471 -4.656 1.00 0.00 O ATOM 909 CB ASN A 61 -11.904 6.112 -6.966 1.00 0.00 C ATOM 910 CG ASN A 61 -12.020 5.358 -8.277 1.00 0.00 C ATOM 911 OD1 ASN A 61 -12.928 4.568 -8.484 1.00 0.00 O ATOM 912 ND2 ASN A 61 -11.085 5.565 -9.182 1.00 0.00 N ATOM 0 H ASN A 61 -12.176 4.135 -5.465 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.889 5.448 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.851 6.060 -6.429 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.709 7.165 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.114 5.062 -10.069 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.333 6.228 -8.995 1.00 0.00 H new ATOM 919 N CYS A 62 -9.281 6.106 -4.266 1.00 0.00 N ATOM 920 CA CYS A 62 -8.769 6.873 -3.137 1.00 0.00 C ATOM 921 C CYS A 62 -8.438 8.323 -3.520 1.00 0.00 C ATOM 922 O CYS A 62 -8.174 8.635 -4.687 1.00 0.00 O ATOM 923 CB CYS A 62 -7.525 6.187 -2.577 1.00 0.00 C ATOM 924 SG CYS A 62 -7.801 4.491 -2.050 1.00 0.00 S ATOM 0 H CYS A 62 -8.727 5.280 -4.492 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.552 6.909 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.743 6.198 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.154 6.764 -1.730 1.00 0.00 H new ATOM 929 N SER A 63 -8.412 9.232 -2.535 1.00 0.00 N ATOM 930 CA SER A 63 -8.326 10.690 -2.759 1.00 0.00 C ATOM 931 C SER A 63 -9.399 11.229 -3.726 1.00 0.00 C ATOM 932 O SER A 63 -9.201 12.234 -4.400 1.00 0.00 O ATOM 933 CB SER A 63 -6.892 11.105 -3.141 1.00 0.00 C ATOM 934 OG SER A 63 -6.465 10.511 -4.354 1.00 0.00 O ATOM 0 H SER A 63 -8.450 8.977 -1.548 1.00 0.00 H new ATOM 0 HA SER A 63 -8.558 11.173 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.843 12.190 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.209 10.822 -2.340 1.00 0.00 H new ATOM 0 HG SER A 63 -7.208 10.013 -4.754 1.00 0.00 H new ATOM 940 N GLU A 64 -10.541 10.534 -3.792 1.00 0.00 N ATOM 941 CA GLU A 64 -11.634 10.717 -4.759 1.00 0.00 C ATOM 942 C GLU A 64 -11.181 10.630 -6.228 1.00 0.00 C ATOM 943 O GLU A 64 -11.746 11.272 -7.114 1.00 0.00 O ATOM 944 CB GLU A 64 -12.455 11.986 -4.440 1.00 0.00 C ATOM 945 CG GLU A 64 -12.852 12.142 -2.961 1.00 0.00 C ATOM 946 CD GLU A 64 -13.533 10.892 -2.401 1.00 0.00 C ATOM 947 OE1 GLU A 64 -14.749 10.744 -2.646 1.00 0.00 O ATOM 948 OE2 GLU A 64 -12.817 10.092 -1.754 1.00 0.00 O ATOM 0 H GLU A 64 -10.740 9.782 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.305 9.867 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.878 12.860 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.361 11.978 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.962 12.362 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.523 12.995 -2.856 1.00 0.00 H new ATOM 955 N SER A 65 -10.134 9.845 -6.502 1.00 0.00 N ATOM 956 CA SER A 65 -9.623 9.562 -7.848 1.00 0.00 C ATOM 957 C SER A 65 -8.691 8.354 -7.830 1.00 0.00 C ATOM 958 O SER A 65 -9.076 7.278 -8.295 1.00 0.00 O ATOM 959 CB SER A 65 -8.889 10.785 -8.408 1.00 0.00 C ATOM 960 OG SER A 65 -9.842 11.763 -8.767 1.00 0.00 O ATOM 0 H SER A 65 -9.602 9.374 -5.770 1.00 0.00 H new ATOM 0 HA SER A 65 -10.472 9.334 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.200 11.185 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.293 10.503 -9.276 1.00 0.00 H new ATOM 0 HG SER A 65 -10.731 11.478 -8.470 1.00 0.00 H new TER 966 SER A 65