USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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 28 SER OG : rot 34:sc= -0.742! USER MOD Set 1.2: A 85 ASN : amide:sc= -7.24! C(o=-8!,f=-2.5!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -164:sc= -0.488 (180deg=-1.11) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -4.05! C(o=-4!,f=-3.6!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.12 USER MOD Single : A 13 THR OG1 : rot -37:sc= 0.336 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -99:sc= 0.372 USER MOD Single : A 30 MET CE :methyl 156:sc= 0 (180deg=-0.91) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 39 THR OG1 : rot -87:sc= 0.189 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.0505 (180deg=-0.465) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 159:sc= 0.704 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 159:sc= -0.215 (180deg=-1.21) USER MOD Single : A 63 THR OG1 : rot 130:sc= -0.518 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.1) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 81 THR OG1 : rot -0:sc= 0.728 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 94 MET CE :methyl -113:sc=-0.00909 (180deg=-0.209) USER MOD Single : A 97 MET CE :methyl 160:sc= -0.0173 (180deg=-0.789) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.524 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 10.518 2.112 8.526 1.00 0.00 N ATOM 21 CA ALA A 2 9.486 1.553 7.611 1.00 0.00 C ATOM 22 C ALA A 2 9.000 2.636 6.646 1.00 0.00 C ATOM 23 O ALA A 2 8.741 3.761 7.030 1.00 0.00 O ATOM 24 CB ALA A 2 8.312 1.036 8.440 1.00 0.00 C ATOM 0 HA ALA A 2 9.917 0.736 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.551 0.625 7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.661 0.258 9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.885 1.856 9.017 1.00 0.00 H new ATOM 30 N GLU A 3 8.869 2.298 5.391 1.00 0.00 N ATOM 31 CA GLU A 3 8.396 3.296 4.392 1.00 0.00 C ATOM 32 C GLU A 3 7.763 2.578 3.201 1.00 0.00 C ATOM 33 O GLU A 3 7.961 1.393 2.994 1.00 0.00 O ATOM 34 CB GLU A 3 9.580 4.138 3.908 1.00 0.00 C ATOM 35 CG GLU A 3 10.665 3.224 3.339 1.00 0.00 C ATOM 36 CD GLU A 3 11.858 4.071 2.896 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.636 5.195 2.473 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.973 3.587 2.990 1.00 0.00 O ATOM 0 H GLU A 3 9.070 1.371 5.015 1.00 0.00 H new ATOM 0 HA GLU A 3 7.654 3.944 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.249 4.844 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.982 4.726 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.978 2.500 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.273 2.657 2.494 1.00 0.00 H new ATOM 45 N ILE A 4 7.005 3.298 2.412 1.00 0.00 N ATOM 46 CA ILE A 4 6.345 2.692 1.217 1.00 0.00 C ATOM 47 C ILE A 4 7.031 3.211 -0.047 1.00 0.00 C ATOM 48 O ILE A 4 7.231 4.400 -0.211 1.00 0.00 O ATOM 49 CB ILE A 4 4.873 3.102 1.195 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.175 2.531 2.432 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.206 2.555 -0.072 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.783 3.150 2.571 1.00 0.00 C ATOM 0 H ILE A 4 6.814 4.291 2.547 1.00 0.00 H new ATOM 0 HA ILE A 4 6.423 1.606 1.261 1.00 0.00 H new ATOM 0 HB ILE A 4 4.794 4.189 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.095 1.447 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.767 2.739 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.156 2.848 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.708 2.960 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.279 1.467 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.289 2.741 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.874 4.231 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.192 2.919 1.685 1.00 0.00 H new ATOM 64 N GLN A 5 7.400 2.324 -0.941 1.00 0.00 N ATOM 65 CA GLN A 5 8.084 2.747 -2.204 1.00 0.00 C ATOM 66 C GLN A 5 7.384 2.116 -3.409 1.00 0.00 C ATOM 67 O GLN A 5 7.060 0.943 -3.413 1.00 0.00 O ATOM 68 CB GLN A 5 9.545 2.292 -2.164 1.00 0.00 C ATOM 69 CG GLN A 5 10.300 3.106 -1.111 1.00 0.00 C ATOM 70 CD GLN A 5 11.738 2.599 -1.005 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.988 1.416 -1.117 1.00 0.00 O ATOM 72 NE2 GLN A 5 12.704 3.452 -0.791 1.00 0.00 N ATOM 0 H GLN A 5 7.255 1.319 -0.849 1.00 0.00 H new ATOM 0 HA GLN A 5 8.040 3.832 -2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.601 1.229 -1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.006 2.425 -3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.295 4.162 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.802 3.021 -0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.495 4.446 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.667 3.124 -0.718 1.00 0.00 H new ATOM 81 N PHE A 6 7.149 2.895 -4.434 1.00 0.00 N ATOM 82 CA PHE A 6 6.472 2.370 -5.656 1.00 0.00 C ATOM 83 C PHE A 6 7.533 1.970 -6.686 1.00 0.00 C ATOM 84 O PHE A 6 7.239 1.341 -7.684 1.00 0.00 O ATOM 85 CB PHE A 6 5.588 3.473 -6.247 1.00 0.00 C ATOM 86 CG PHE A 6 4.336 3.626 -5.415 1.00 0.00 C ATOM 87 CD1 PHE A 6 4.346 4.445 -4.280 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.167 2.952 -5.782 1.00 0.00 C ATOM 89 CE1 PHE A 6 3.184 4.587 -3.511 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.007 3.093 -5.013 1.00 0.00 C ATOM 91 CZ PHE A 6 2.014 3.910 -3.877 1.00 0.00 C ATOM 0 H PHE A 6 7.400 3.883 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 6 5.863 1.503 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.135 4.415 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.324 3.228 -7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.248 4.967 -3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.160 2.322 -6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.190 5.219 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.105 2.571 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.118 4.018 -3.283 1.00 0.00 H new ATOM 101 N SER A 7 8.768 2.327 -6.448 1.00 0.00 N ATOM 102 CA SER A 7 9.852 1.968 -7.408 1.00 0.00 C ATOM 103 C SER A 7 11.168 1.815 -6.645 1.00 0.00 C ATOM 104 O SER A 7 12.241 1.922 -7.207 1.00 0.00 O ATOM 105 CB SER A 7 9.989 3.067 -8.463 1.00 0.00 C ATOM 106 OG SER A 7 8.727 3.280 -9.083 1.00 0.00 O ATOM 0 H SER A 7 9.073 2.853 -5.629 1.00 0.00 H new ATOM 0 HA SER A 7 9.607 1.028 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.341 3.989 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.731 2.781 -9.209 1.00 0.00 H new ATOM 0 HG SER A 7 8.809 3.985 -9.759 1.00 0.00 H new ATOM 112 N LYS A 8 11.081 1.559 -5.368 1.00 0.00 N ATOM 113 CA LYS A 8 12.306 1.383 -4.530 1.00 0.00 C ATOM 114 C LYS A 8 13.213 2.613 -4.623 1.00 0.00 C ATOM 115 O LYS A 8 13.684 2.984 -5.682 1.00 0.00 O ATOM 116 CB LYS A 8 13.078 0.143 -4.983 1.00 0.00 C ATOM 117 CG LYS A 8 12.270 -1.108 -4.639 1.00 0.00 C ATOM 118 CD LYS A 8 13.100 -2.358 -4.948 1.00 0.00 C ATOM 119 CE LYS A 8 13.471 -2.392 -6.436 1.00 0.00 C ATOM 120 NZ LYS A 8 12.338 -1.871 -7.250 1.00 0.00 N ATOM 0 H LYS A 8 10.201 1.463 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 8 11.992 1.258 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.262 0.187 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.051 0.107 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.992 -1.095 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.343 -1.124 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.005 -2.362 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.535 -3.253 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.363 -1.791 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.709 -3.412 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.473 -2.140 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.445 -2.274 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.303 -0.834 -7.174 1.00 0.00 H new ATOM 134 N GLY A 9 13.469 3.239 -3.503 1.00 0.00 N ATOM 135 CA GLY A 9 14.351 4.445 -3.485 1.00 0.00 C ATOM 136 C GLY A 9 13.484 5.704 -3.459 1.00 0.00 C ATOM 137 O GLY A 9 13.951 6.779 -3.138 1.00 0.00 O ATOM 0 H GLY A 9 13.101 2.964 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.003 4.420 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.996 4.451 -4.364 1.00 0.00 H new ATOM 141 N VAL A 10 12.222 5.581 -3.790 1.00 0.00 N ATOM 142 CA VAL A 10 11.321 6.772 -3.781 1.00 0.00 C ATOM 143 C VAL A 10 10.498 6.784 -2.490 1.00 0.00 C ATOM 144 O VAL A 10 9.485 6.120 -2.375 1.00 0.00 O ATOM 145 CB VAL A 10 10.397 6.710 -4.993 1.00 0.00 C ATOM 146 CG1 VAL A 10 9.615 8.019 -5.100 1.00 0.00 C ATOM 147 CG2 VAL A 10 11.241 6.521 -6.257 1.00 0.00 C ATOM 0 H VAL A 10 11.778 4.705 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 10 11.915 7.685 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 10 9.702 5.877 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.954 7.978 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.022 8.164 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.311 8.850 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.587 6.476 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.930 7.359 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.808 5.593 -6.181 1.00 0.00 H new ATOM 157 N ALA A 11 10.936 7.539 -1.519 1.00 0.00 N ATOM 158 CA ALA A 11 10.205 7.610 -0.224 1.00 0.00 C ATOM 159 C ALA A 11 8.939 8.453 -0.387 1.00 0.00 C ATOM 160 O ALA A 11 8.974 9.542 -0.926 1.00 0.00 O ATOM 161 CB ALA A 11 11.115 8.251 0.821 1.00 0.00 C ATOM 0 H ALA A 11 11.777 8.114 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 11 9.923 6.606 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.590 8.308 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.015 7.648 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.390 9.255 0.497 1.00 0.00 H new ATOM 167 N GLU A 12 7.821 7.954 0.083 1.00 0.00 N ATOM 168 CA GLU A 12 6.536 8.709 -0.029 1.00 0.00 C ATOM 169 C GLU A 12 6.086 9.170 1.355 1.00 0.00 C ATOM 170 O GLU A 12 5.895 8.380 2.259 1.00 0.00 O ATOM 171 CB GLU A 12 5.470 7.799 -0.639 1.00 0.00 C ATOM 172 CG GLU A 12 5.850 7.470 -2.085 1.00 0.00 C ATOM 173 CD GLU A 12 5.816 8.744 -2.934 1.00 0.00 C ATOM 174 OE1 GLU A 12 5.171 9.692 -2.515 1.00 0.00 O ATOM 175 OE2 GLU A 12 6.439 8.751 -3.983 1.00 0.00 O ATOM 0 H GLU A 12 7.745 7.047 0.544 1.00 0.00 H new ATOM 0 HA GLU A 12 6.681 9.582 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.382 6.882 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.497 8.289 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.846 7.027 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.160 6.732 -2.493 1.00 0.00 H new ATOM 182 N THR A 13 5.912 10.453 1.516 1.00 0.00 N ATOM 183 CA THR A 13 5.468 11.001 2.828 1.00 0.00 C ATOM 184 C THR A 13 3.938 11.086 2.834 1.00 0.00 C ATOM 185 O THR A 13 3.324 11.441 3.823 1.00 0.00 O ATOM 186 CB THR A 13 6.079 12.395 3.024 1.00 0.00 C ATOM 187 OG1 THR A 13 5.735 12.886 4.310 1.00 0.00 O ATOM 188 CG2 THR A 13 5.553 13.353 1.953 1.00 0.00 C ATOM 0 H THR A 13 6.060 11.151 0.787 1.00 0.00 H new ATOM 0 HA THR A 13 5.796 10.354 3.641 1.00 0.00 H new ATOM 0 HB THR A 13 7.163 12.325 2.937 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.822 12.609 4.532 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.992 14.340 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.824 12.979 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.468 13.424 2.029 1.00 0.00 H new ATOM 196 N VAL A 14 3.323 10.760 1.730 1.00 0.00 N ATOM 197 CA VAL A 14 1.834 10.816 1.642 1.00 0.00 C ATOM 198 C VAL A 14 1.207 10.047 2.809 1.00 0.00 C ATOM 199 O VAL A 14 1.826 9.186 3.402 1.00 0.00 O ATOM 200 CB VAL A 14 1.381 10.192 0.322 1.00 0.00 C ATOM 201 CG1 VAL A 14 -0.142 10.293 0.201 1.00 0.00 C ATOM 202 CG2 VAL A 14 2.034 10.941 -0.840 1.00 0.00 C ATOM 0 H VAL A 14 3.792 10.454 0.877 1.00 0.00 H new ATOM 0 HA VAL A 14 1.513 11.857 1.689 1.00 0.00 H new ATOM 0 HB VAL A 14 1.676 9.143 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.463 9.848 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.609 9.762 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.440 11.341 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.714 10.499 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.736 11.989 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.118 10.869 -0.756 1.00 0.00 H new ATOM 212 N VAL A 15 -0.023 10.367 3.146 1.00 0.00 N ATOM 213 CA VAL A 15 -0.716 9.677 4.278 1.00 0.00 C ATOM 214 C VAL A 15 -1.927 8.891 3.754 1.00 0.00 C ATOM 215 O VAL A 15 -3.050 9.352 3.830 1.00 0.00 O ATOM 216 CB VAL A 15 -1.190 10.731 5.276 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.880 10.044 6.458 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.022 11.512 5.781 1.00 0.00 C ATOM 0 H VAL A 15 -0.579 11.084 2.679 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.027 8.983 4.760 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.894 11.408 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.218 10.797 7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.737 9.474 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.177 9.371 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.304 12.268 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.718 10.829 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.518 11.997 4.940 1.00 0.00 H new ATOM 228 N PRO A 16 -1.704 7.711 3.221 1.00 0.00 N ATOM 229 CA PRO A 16 -2.796 6.849 2.679 1.00 0.00 C ATOM 230 C PRO A 16 -3.582 6.140 3.786 1.00 0.00 C ATOM 231 O PRO A 16 -3.063 5.862 4.850 1.00 0.00 O ATOM 232 CB PRO A 16 -2.048 5.848 1.792 1.00 0.00 C ATOM 233 CG PRO A 16 -0.711 5.698 2.439 1.00 0.00 C ATOM 234 CD PRO A 16 -0.388 7.054 3.084 1.00 0.00 C ATOM 0 HA PRO A 16 -3.549 7.423 2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.573 4.894 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.955 6.216 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.728 4.906 3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.048 5.426 1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.098 6.929 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.287 7.641 2.461 1.00 0.00 H new ATOM 242 N GLU A 17 -4.830 5.845 3.542 1.00 0.00 N ATOM 243 CA GLU A 17 -5.647 5.160 4.582 1.00 0.00 C ATOM 244 C GLU A 17 -5.471 3.648 4.462 1.00 0.00 C ATOM 245 O GLU A 17 -5.189 3.129 3.399 1.00 0.00 O ATOM 246 CB GLU A 17 -7.119 5.518 4.393 1.00 0.00 C ATOM 247 CG GLU A 17 -7.941 4.875 5.511 1.00 0.00 C ATOM 248 CD GLU A 17 -9.399 5.320 5.398 1.00 0.00 C ATOM 249 OE1 GLU A 17 -9.654 6.274 4.681 1.00 0.00 O ATOM 250 OE2 GLU A 17 -10.238 4.699 6.030 1.00 0.00 O ATOM 0 H GLU A 17 -5.318 6.048 2.669 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.318 5.484 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.247 6.600 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.469 5.169 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.876 3.789 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.538 5.160 6.483 1.00 0.00 H new ATOM 257 N VAL A 18 -5.636 2.938 5.553 1.00 0.00 N ATOM 258 CA VAL A 18 -5.484 1.453 5.531 1.00 0.00 C ATOM 259 C VAL A 18 -6.810 0.804 5.920 1.00 0.00 C ATOM 260 O VAL A 18 -7.414 1.143 6.920 1.00 0.00 O ATOM 261 CB VAL A 18 -4.403 1.046 6.533 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.396 -0.478 6.701 1.00 0.00 C ATOM 263 CG2 VAL A 18 -3.039 1.513 6.021 1.00 0.00 C ATOM 0 H VAL A 18 -5.872 3.330 6.465 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.199 1.125 4.531 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.610 1.509 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.624 -0.762 7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.368 -0.808 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.191 -0.949 5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.265 1.225 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.835 1.050 5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.044 2.597 5.910 1.00 0.00 H new ATOM 273 N ARG A 19 -7.257 -0.140 5.133 1.00 0.00 N ATOM 274 CA ARG A 19 -8.535 -0.847 5.427 1.00 0.00 C ATOM 275 C ARG A 19 -8.314 -2.350 5.289 1.00 0.00 C ATOM 276 O ARG A 19 -7.542 -2.799 4.463 1.00 0.00 O ATOM 277 CB ARG A 19 -9.610 -0.394 4.440 1.00 0.00 C ATOM 278 CG ARG A 19 -9.944 1.076 4.695 1.00 0.00 C ATOM 279 CD ARG A 19 -11.004 1.546 3.695 1.00 0.00 C ATOM 280 NE ARG A 19 -10.412 1.586 2.328 1.00 0.00 N ATOM 281 CZ ARG A 19 -11.133 1.964 1.305 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.381 2.309 1.470 1.00 0.00 N ATOM 283 NH2 ARG A 19 -10.603 1.996 0.113 1.00 0.00 N ATOM 0 H ARG A 19 -6.782 -0.454 4.287 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.860 -0.614 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.259 -0.527 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.504 -1.007 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.309 1.204 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.045 1.685 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.861 0.872 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.370 2.534 3.974 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.438 1.317 2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.798 2.284 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.939 2.603 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.628 1.726 -0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.164 2.291 -0.687 1.00 0.00 H new ATOM 297 N LEU A 20 -8.981 -3.132 6.097 1.00 0.00 N ATOM 298 CA LEU A 20 -8.815 -4.614 6.030 1.00 0.00 C ATOM 299 C LEU A 20 -10.001 -5.229 5.299 1.00 0.00 C ATOM 300 O LEU A 20 -11.133 -4.820 5.466 1.00 0.00 O ATOM 301 CB LEU A 20 -8.741 -5.179 7.448 1.00 0.00 C ATOM 302 CG LEU A 20 -7.585 -4.517 8.207 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.527 -5.079 9.629 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.254 -4.793 7.484 1.00 0.00 C ATOM 0 H LEU A 20 -9.638 -2.805 6.805 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.897 -4.853 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.681 -5.001 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.595 -6.259 7.413 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.748 -3.440 8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.706 -4.611 10.172 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.466 -4.871 10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.367 -6.156 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.438 -4.319 8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.082 -5.868 7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.298 -4.387 6.473 1.00 0.00 H new ATOM 316 N SER A 21 -9.744 -6.215 4.482 1.00 0.00 N ATOM 317 CA SER A 21 -10.846 -6.868 3.726 1.00 0.00 C ATOM 318 C SER A 21 -10.471 -8.314 3.422 1.00 0.00 C ATOM 319 O SER A 21 -9.333 -8.719 3.572 1.00 0.00 O ATOM 320 CB SER A 21 -11.074 -6.122 2.413 1.00 0.00 C ATOM 321 OG SER A 21 -11.523 -4.803 2.692 1.00 0.00 O ATOM 0 H SER A 21 -8.814 -6.596 4.307 1.00 0.00 H new ATOM 0 HA SER A 21 -11.756 -6.845 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.150 -6.089 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.811 -6.648 1.806 1.00 0.00 H new ATOM 0 HG SER A 21 -11.668 -4.322 1.851 1.00 0.00 H new ATOM 327 N LYS A 22 -11.429 -9.097 2.996 1.00 0.00 N ATOM 328 CA LYS A 22 -11.164 -10.530 2.676 1.00 0.00 C ATOM 329 C LYS A 22 -11.137 -10.726 1.160 1.00 0.00 C ATOM 330 O LYS A 22 -11.532 -9.864 0.399 1.00 0.00 O ATOM 331 CB LYS A 22 -12.271 -11.396 3.285 1.00 0.00 C ATOM 332 CG LYS A 22 -13.634 -10.981 2.719 1.00 0.00 C ATOM 333 CD LYS A 22 -14.735 -11.807 3.390 1.00 0.00 C ATOM 334 CE LYS A 22 -16.102 -11.383 2.847 1.00 0.00 C ATOM 335 NZ LYS A 22 -17.171 -12.197 3.495 1.00 0.00 N ATOM 0 H LYS A 22 -12.394 -8.800 2.855 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.199 -10.822 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.083 -12.447 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.271 -11.290 4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.804 -9.918 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.655 -11.135 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.572 -12.868 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.702 -11.665 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.269 -10.324 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.133 -11.518 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.099 -11.908 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.014 -13.204 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.146 -12.047 4.524 1.00 0.00 H new ATOM 349 N SER A 23 -10.662 -11.857 0.720 1.00 0.00 N ATOM 350 CA SER A 23 -10.585 -12.128 -0.741 1.00 0.00 C ATOM 351 C SER A 23 -11.990 -12.295 -1.329 1.00 0.00 C ATOM 352 O SER A 23 -12.975 -12.358 -0.621 1.00 0.00 O ATOM 353 CB SER A 23 -9.777 -13.405 -0.969 1.00 0.00 C ATOM 354 OG SER A 23 -10.262 -14.427 -0.107 1.00 0.00 O ATOM 0 H SER A 23 -10.321 -12.611 1.316 1.00 0.00 H new ATOM 0 HA SER A 23 -10.100 -11.287 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.860 -13.721 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.720 -13.220 -0.775 1.00 0.00 H new ATOM 0 HG SER A 23 -9.684 -14.491 0.682 1.00 0.00 H new ATOM 420 N SER A 28 -8.047 -16.498 1.269 1.00 0.00 N ATOM 421 CA SER A 28 -6.882 -15.836 1.920 1.00 0.00 C ATOM 422 C SER A 28 -7.222 -14.391 2.288 1.00 0.00 C ATOM 423 O SER A 28 -8.013 -13.734 1.636 1.00 0.00 O ATOM 424 CB SER A 28 -5.689 -15.861 0.968 1.00 0.00 C ATOM 425 OG SER A 28 -5.146 -17.174 0.936 1.00 0.00 O ATOM 0 HA SER A 28 -6.634 -16.376 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.000 -15.558 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.932 -15.149 1.296 1.00 0.00 H new ATOM 0 HG SER A 28 -5.867 -17.829 1.041 1.00 0.00 H new ATOM 431 N GLY A 29 -6.626 -13.900 3.339 1.00 0.00 N ATOM 432 CA GLY A 29 -6.898 -12.507 3.785 1.00 0.00 C ATOM 433 C GLY A 29 -6.079 -11.506 2.968 1.00 0.00 C ATOM 434 O GLY A 29 -5.099 -11.850 2.334 1.00 0.00 O ATOM 0 H GLY A 29 -5.955 -14.411 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.960 -12.287 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.655 -12.405 4.843 1.00 0.00 H new ATOM 438 N MET A 30 -6.473 -10.262 2.994 1.00 0.00 N ATOM 439 CA MET A 30 -5.726 -9.221 2.238 1.00 0.00 C ATOM 440 C MET A 30 -6.059 -7.844 2.814 1.00 0.00 C ATOM 441 O MET A 30 -6.941 -7.700 3.640 1.00 0.00 O ATOM 442 CB MET A 30 -6.118 -9.273 0.755 1.00 0.00 C ATOM 443 CG MET A 30 -7.597 -9.634 0.624 1.00 0.00 C ATOM 444 SD MET A 30 -8.072 -9.571 -1.121 1.00 0.00 S ATOM 445 CE MET A 30 -8.524 -7.820 -1.181 1.00 0.00 C ATOM 0 H MET A 30 -7.285 -9.922 3.510 1.00 0.00 H new ATOM 0 HA MET A 30 -4.655 -9.404 2.327 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.926 -8.309 0.285 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.507 -10.009 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.778 -10.631 1.027 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.206 -8.941 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.439 -7.457 -2.205 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.551 -7.697 -0.836 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.854 -7.249 -0.538 1.00 0.00 H new ATOM 455 N ALA A 31 -5.358 -6.827 2.377 1.00 0.00 N ATOM 456 CA ALA A 31 -5.618 -5.447 2.884 1.00 0.00 C ATOM 457 C ALA A 31 -5.625 -4.468 1.710 1.00 0.00 C ATOM 458 O ALA A 31 -4.941 -4.660 0.723 1.00 0.00 O ATOM 459 CB ALA A 31 -4.516 -5.054 3.866 1.00 0.00 C ATOM 0 H ALA A 31 -4.611 -6.896 1.685 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.584 -5.418 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.703 -4.047 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.507 -5.754 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.551 -5.081 3.360 1.00 0.00 H new ATOM 465 N LYS A 32 -6.404 -3.419 1.815 1.00 0.00 N ATOM 466 CA LYS A 32 -6.486 -2.405 0.720 1.00 0.00 C ATOM 467 C LYS A 32 -5.815 -1.108 1.169 1.00 0.00 C ATOM 468 O LYS A 32 -5.828 -0.763 2.335 1.00 0.00 O ATOM 469 CB LYS A 32 -7.956 -2.135 0.400 1.00 0.00 C ATOM 470 CG LYS A 32 -8.567 -3.373 -0.259 1.00 0.00 C ATOM 471 CD LYS A 32 -10.043 -3.115 -0.570 1.00 0.00 C ATOM 472 CE LYS A 32 -10.642 -4.346 -1.255 1.00 0.00 C ATOM 473 NZ LYS A 32 -12.079 -4.094 -1.565 1.00 0.00 N ATOM 0 H LYS A 32 -6.993 -3.221 2.624 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.978 -2.782 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.499 -1.889 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.043 -1.275 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.028 -3.612 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.470 -4.234 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.587 -2.896 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.143 -2.242 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.095 -4.567 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.546 -5.218 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.486 -4.930 -2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.596 -3.903 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.159 -3.273 -2.198 1.00 0.00 H new ATOM 487 N PHE A 33 -5.227 -0.385 0.245 1.00 0.00 N ATOM 488 CA PHE A 33 -4.546 0.899 0.592 1.00 0.00 C ATOM 489 C PHE A 33 -5.090 2.010 -0.302 1.00 0.00 C ATOM 490 O PHE A 33 -5.260 1.831 -1.495 1.00 0.00 O ATOM 491 CB PHE A 33 -3.044 0.748 0.361 1.00 0.00 C ATOM 492 CG PHE A 33 -2.476 -0.202 1.387 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.009 0.290 2.610 1.00 0.00 C ATOM 494 CD2 PHE A 33 -2.426 -1.575 1.117 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.488 -0.591 3.564 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.904 -2.456 2.073 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.437 -1.963 3.296 1.00 0.00 C ATOM 0 H PHE A 33 -5.191 -0.634 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.731 1.147 1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.855 0.372 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.553 1.718 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.050 1.349 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.789 -1.954 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.125 -0.212 4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.862 -3.515 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.037 -2.642 4.034 1.00 0.00 H new ATOM 507 N TYR A 34 -5.368 3.158 0.272 1.00 0.00 N ATOM 508 CA TYR A 34 -5.911 4.301 -0.522 1.00 0.00 C ATOM 509 C TYR A 34 -4.883 5.431 -0.565 1.00 0.00 C ATOM 510 O TYR A 34 -4.444 5.925 0.457 1.00 0.00 O ATOM 511 CB TYR A 34 -7.191 4.804 0.145 1.00 0.00 C ATOM 512 CG TYR A 34 -7.811 5.883 -0.708 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.461 5.538 -1.898 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.736 7.225 -0.314 1.00 0.00 C ATOM 515 CE1 TYR A 34 -9.038 6.533 -2.694 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.314 8.221 -1.111 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.964 7.875 -2.302 1.00 0.00 C ATOM 518 OH TYR A 34 -9.533 8.856 -3.087 1.00 0.00 O ATOM 0 H TYR A 34 -5.240 3.351 1.265 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.126 3.973 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.893 3.981 0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.968 5.194 1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.517 4.503 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.233 7.491 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.541 6.266 -3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.258 9.256 -0.807 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.607 9.686 -2.571 1.00 0.00 H new ATOM 528 N PHE A 35 -4.503 5.843 -1.750 1.00 0.00 N ATOM 529 CA PHE A 35 -3.505 6.944 -1.904 1.00 0.00 C ATOM 530 C PHE A 35 -4.198 8.170 -2.481 1.00 0.00 C ATOM 531 O PHE A 35 -4.796 8.116 -3.538 1.00 0.00 O ATOM 532 CB PHE A 35 -2.398 6.488 -2.854 1.00 0.00 C ATOM 533 CG PHE A 35 -1.484 5.527 -2.133 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.789 4.161 -2.097 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.334 6.006 -1.496 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.941 3.274 -1.422 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.511 5.121 -0.822 1.00 0.00 C ATOM 538 CZ PHE A 35 0.209 3.755 -0.784 1.00 0.00 C ATOM 0 H PHE A 35 -4.848 5.456 -2.629 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.074 7.192 -0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.831 6.007 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.831 7.349 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.677 3.792 -2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.100 7.060 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.174 2.220 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.398 5.491 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.863 3.072 -0.263 1.00 0.00 H new ATOM 548 N LEU A 36 -4.127 9.280 -1.787 1.00 0.00 N ATOM 549 CA LEU A 36 -4.789 10.526 -2.279 1.00 0.00 C ATOM 550 C LEU A 36 -3.753 11.492 -2.862 1.00 0.00 C ATOM 551 O LEU A 36 -2.798 11.874 -2.214 1.00 0.00 O ATOM 552 CB LEU A 36 -5.528 11.198 -1.118 1.00 0.00 C ATOM 553 CG LEU A 36 -6.327 12.408 -1.632 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.418 11.957 -2.624 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.970 13.127 -0.440 1.00 0.00 C ATOM 0 H LEU A 36 -3.637 9.376 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.497 10.264 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.200 10.484 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.814 11.519 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.651 13.087 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.972 12.827 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.953 11.455 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.101 11.269 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.538 13.986 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.638 12.441 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.192 13.465 0.244 1.00 0.00 H new ATOM 567 N GLU A 37 -3.964 11.893 -4.087 1.00 0.00 N ATOM 568 CA GLU A 37 -3.037 12.848 -4.762 1.00 0.00 C ATOM 569 C GLU A 37 -1.576 12.493 -4.478 1.00 0.00 C ATOM 570 O GLU A 37 -0.806 13.319 -4.027 1.00 0.00 O ATOM 571 CB GLU A 37 -3.325 14.272 -4.274 1.00 0.00 C ATOM 572 CG GLU A 37 -4.673 14.730 -4.833 1.00 0.00 C ATOM 573 CD GLU A 37 -5.082 16.051 -4.181 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.204 16.856 -3.917 1.00 0.00 O ATOM 575 OE2 GLU A 37 -6.267 16.236 -3.960 1.00 0.00 O ATOM 0 H GLU A 37 -4.754 11.594 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.201 12.784 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.341 14.300 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.534 14.948 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.606 14.853 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.432 13.971 -4.645 1.00 0.00 H new ATOM 582 N PRO A 38 -1.186 11.280 -4.763 1.00 0.00 N ATOM 583 CA PRO A 38 0.218 10.826 -4.554 1.00 0.00 C ATOM 584 C PRO A 38 1.200 11.544 -5.494 1.00 0.00 C ATOM 585 O PRO A 38 0.860 11.937 -6.593 1.00 0.00 O ATOM 586 CB PRO A 38 0.164 9.314 -4.835 1.00 0.00 C ATOM 587 CG PRO A 38 -1.033 9.121 -5.713 1.00 0.00 C ATOM 588 CD PRO A 38 -2.034 10.208 -5.314 1.00 0.00 C ATOM 0 HA PRO A 38 0.581 11.052 -3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.074 8.972 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.070 8.745 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.762 9.208 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.461 8.128 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.611 10.555 -6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.748 9.843 -4.576 1.00 0.00 H new ATOM 596 N THR A 39 2.411 11.727 -5.049 1.00 0.00 N ATOM 597 CA THR A 39 3.428 12.429 -5.881 1.00 0.00 C ATOM 598 C THR A 39 3.915 11.513 -7.009 1.00 0.00 C ATOM 599 O THR A 39 4.469 11.968 -7.991 1.00 0.00 O ATOM 600 CB THR A 39 4.608 12.817 -4.990 1.00 0.00 C ATOM 601 OG1 THR A 39 5.133 11.651 -4.373 1.00 0.00 O ATOM 602 CG2 THR A 39 4.137 13.795 -3.912 1.00 0.00 C ATOM 0 H THR A 39 2.743 11.417 -4.136 1.00 0.00 H new ATOM 0 HA THR A 39 2.983 13.320 -6.324 1.00 0.00 H new ATOM 0 HB THR A 39 5.381 13.291 -5.595 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.649 11.476 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.979 14.071 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.731 14.689 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.365 13.323 -3.305 1.00 0.00 H new ATOM 610 N ILE A 40 3.731 10.230 -6.872 1.00 0.00 N ATOM 611 CA ILE A 40 4.207 9.294 -7.932 1.00 0.00 C ATOM 612 C ILE A 40 3.518 9.626 -9.265 1.00 0.00 C ATOM 613 O ILE A 40 3.749 8.987 -10.271 1.00 0.00 O ATOM 614 CB ILE A 40 3.883 7.852 -7.501 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.771 6.862 -8.275 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.406 7.530 -7.776 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.247 7.005 -7.854 1.00 0.00 C ATOM 0 H ILE A 40 3.273 9.788 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 40 5.284 9.397 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 40 4.076 7.759 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.433 5.842 -8.090 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.675 7.041 -9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.193 6.507 -7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.773 8.218 -7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.203 7.636 -8.842 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.856 6.295 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.588 8.019 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.342 6.802 -6.787 1.00 0.00 H new ATOM 629 N LEU A 41 2.674 10.622 -9.276 1.00 0.00 N ATOM 630 CA LEU A 41 1.971 10.997 -10.536 1.00 0.00 C ATOM 631 C LEU A 41 2.792 12.046 -11.282 1.00 0.00 C ATOM 632 O LEU A 41 2.509 12.379 -12.416 1.00 0.00 O ATOM 633 CB LEU A 41 0.602 11.576 -10.183 1.00 0.00 C ATOM 634 CG LEU A 41 -0.243 10.513 -9.468 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.558 11.146 -8.998 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.541 9.338 -10.418 1.00 0.00 C ATOM 0 H LEU A 41 2.441 11.194 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 41 1.849 10.119 -11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.721 12.450 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.094 11.910 -11.088 1.00 0.00 H new ATOM 0 HG LEU A 41 0.311 10.134 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.162 10.395 -8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.343 11.964 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.105 11.529 -9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.141 8.592 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.089 9.702 -11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.396 8.887 -10.744 1.00 0.00 H new ATOM 648 N ALA A 42 3.810 12.571 -10.649 1.00 0.00 N ATOM 649 CA ALA A 42 4.662 13.606 -11.308 1.00 0.00 C ATOM 650 C ALA A 42 5.965 12.963 -11.786 1.00 0.00 C ATOM 651 O ALA A 42 6.606 13.441 -12.703 1.00 0.00 O ATOM 652 CB ALA A 42 4.981 14.706 -10.296 1.00 0.00 C ATOM 0 H ALA A 42 4.089 12.326 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 42 4.133 14.031 -12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.603 15.466 -10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.053 15.161 -9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.515 14.277 -9.448 1.00 0.00 H new ATOM 658 N LYS A 43 6.367 11.884 -11.168 1.00 0.00 N ATOM 659 CA LYS A 43 7.635 11.208 -11.578 1.00 0.00 C ATOM 660 C LYS A 43 7.334 10.103 -12.590 1.00 0.00 C ATOM 661 O LYS A 43 7.628 10.225 -13.764 1.00 0.00 O ATOM 662 CB LYS A 43 8.302 10.588 -10.349 1.00 0.00 C ATOM 663 CG LYS A 43 8.803 11.696 -9.421 1.00 0.00 C ATOM 664 CD LYS A 43 9.466 11.075 -8.188 1.00 0.00 C ATOM 665 CE LYS A 43 10.033 12.185 -7.301 1.00 0.00 C ATOM 666 NZ LYS A 43 8.919 13.039 -6.800 1.00 0.00 N ATOM 0 H LYS A 43 5.871 11.440 -10.395 1.00 0.00 H new ATOM 0 HA LYS A 43 8.299 11.944 -12.031 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.593 9.951 -9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.133 9.953 -10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.515 12.331 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.972 12.333 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.740 10.484 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.262 10.396 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.579 11.752 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.743 12.789 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.244 13.587 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.615 13.690 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.119 12.437 -6.520 1.00 0.00 H new ATOM 680 N GLU A 44 6.769 9.011 -12.136 1.00 0.00 N ATOM 681 CA GLU A 44 6.463 7.869 -13.053 1.00 0.00 C ATOM 682 C GLU A 44 4.966 7.814 -13.368 1.00 0.00 C ATOM 683 O GLU A 44 4.128 8.174 -12.564 1.00 0.00 O ATOM 684 CB GLU A 44 6.889 6.562 -12.382 1.00 0.00 C ATOM 685 CG GLU A 44 8.413 6.536 -12.232 1.00 0.00 C ATOM 686 CD GLU A 44 9.068 6.487 -13.614 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.390 6.112 -14.557 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.237 6.827 -13.708 1.00 0.00 O ATOM 0 H GLU A 44 6.505 8.861 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 44 7.009 8.009 -13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.415 6.472 -11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.557 5.711 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.750 7.420 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.715 5.669 -11.645 1.00 0.00 H new ATOM 695 N SER A 45 4.638 7.364 -14.550 1.00 0.00 N ATOM 696 CA SER A 45 3.212 7.277 -14.963 1.00 0.00 C ATOM 697 C SER A 45 2.506 6.144 -14.213 1.00 0.00 C ATOM 698 O SER A 45 3.120 5.203 -13.753 1.00 0.00 O ATOM 699 CB SER A 45 3.149 7.006 -16.468 1.00 0.00 C ATOM 700 OG SER A 45 3.438 8.207 -17.169 1.00 0.00 O ATOM 0 H SER A 45 5.307 7.050 -15.253 1.00 0.00 H new ATOM 0 HA SER A 45 2.712 8.216 -14.727 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.864 6.230 -16.741 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.160 6.639 -16.743 1.00 0.00 H new ATOM 0 HG SER A 45 3.401 8.040 -18.134 1.00 0.00 H new ATOM 706 N THR A 46 1.209 6.240 -14.094 1.00 0.00 N ATOM 707 CA THR A 46 0.433 5.187 -13.386 1.00 0.00 C ATOM 708 C THR A 46 0.511 3.874 -14.172 1.00 0.00 C ATOM 709 O THR A 46 0.490 2.799 -13.606 1.00 0.00 O ATOM 710 CB THR A 46 -1.026 5.630 -13.283 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.510 5.952 -14.580 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.130 6.859 -12.376 1.00 0.00 C ATOM 0 H THR A 46 0.651 7.011 -14.461 1.00 0.00 H new ATOM 0 HA THR A 46 0.846 5.035 -12.389 1.00 0.00 H new ATOM 0 HB THR A 46 -1.623 4.822 -12.860 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.489 5.909 -14.584 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.172 7.172 -12.305 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.757 6.610 -11.382 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.535 7.671 -12.794 1.00 0.00 H new ATOM 720 N ASP A 47 0.588 3.956 -15.473 1.00 0.00 N ATOM 721 CA ASP A 47 0.659 2.711 -16.291 1.00 0.00 C ATOM 722 C ASP A 47 2.058 2.101 -16.181 1.00 0.00 C ATOM 723 O ASP A 47 2.305 1.003 -16.642 1.00 0.00 O ATOM 724 CB ASP A 47 0.348 3.042 -17.754 1.00 0.00 C ATOM 725 CG ASP A 47 1.299 4.130 -18.253 1.00 0.00 C ATOM 726 OD1 ASP A 47 2.249 4.428 -17.549 1.00 0.00 O ATOM 727 OD2 ASP A 47 1.062 4.647 -19.333 1.00 0.00 O ATOM 0 H ASP A 47 0.605 4.827 -16.003 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.073 1.992 -15.922 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.450 2.147 -18.368 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.685 3.378 -17.849 1.00 0.00 H new ATOM 732 N ASP A 48 2.975 2.803 -15.567 1.00 0.00 N ATOM 733 CA ASP A 48 4.360 2.264 -15.417 1.00 0.00 C ATOM 734 C ASP A 48 4.476 1.532 -14.076 1.00 0.00 C ATOM 735 O ASP A 48 5.502 0.957 -13.760 1.00 0.00 O ATOM 736 CB ASP A 48 5.361 3.422 -15.449 1.00 0.00 C ATOM 737 CG ASP A 48 5.404 4.031 -16.853 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.912 3.395 -17.771 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.929 5.125 -16.986 1.00 0.00 O ATOM 0 H ASP A 48 2.824 3.727 -15.163 1.00 0.00 H new ATOM 0 HA ASP A 48 4.574 1.573 -16.232 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.076 4.182 -14.722 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.352 3.066 -15.166 1.00 0.00 H new ATOM 744 N ILE A 49 3.436 1.548 -13.282 1.00 0.00 N ATOM 745 CA ILE A 49 3.486 0.858 -11.957 1.00 0.00 C ATOM 746 C ILE A 49 2.891 -0.546 -12.081 1.00 0.00 C ATOM 747 O ILE A 49 1.755 -0.712 -12.478 1.00 0.00 O ATOM 748 CB ILE A 49 2.678 1.656 -10.931 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.300 3.044 -10.762 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.688 0.927 -9.585 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.363 3.931 -9.937 1.00 0.00 C ATOM 0 H ILE A 49 2.552 2.010 -13.495 1.00 0.00 H new ATOM 0 HA ILE A 49 4.524 0.787 -11.632 1.00 0.00 H new ATOM 0 HB ILE A 49 1.650 1.755 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.268 2.962 -10.268 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.478 3.495 -11.738 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.112 1.498 -8.857 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.245 -0.062 -9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.715 0.824 -9.234 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.808 4.919 -9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.405 4.024 -10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.208 3.482 -8.956 1.00 0.00 H new ATOM 763 N THR A 50 3.655 -1.555 -11.732 1.00 0.00 N ATOM 764 CA THR A 50 3.153 -2.962 -11.810 1.00 0.00 C ATOM 765 C THR A 50 3.230 -3.594 -10.417 1.00 0.00 C ATOM 766 O THR A 50 2.825 -4.723 -10.217 1.00 0.00 O ATOM 767 CB THR A 50 4.026 -3.767 -12.789 1.00 0.00 C ATOM 768 OG1 THR A 50 4.340 -2.959 -13.916 1.00 0.00 O ATOM 769 CG2 THR A 50 3.270 -5.017 -13.252 1.00 0.00 C ATOM 0 H THR A 50 4.613 -1.461 -11.394 1.00 0.00 H new ATOM 0 HA THR A 50 2.122 -2.967 -12.162 1.00 0.00 H new ATOM 0 HB THR A 50 4.945 -4.069 -12.287 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.897 -3.470 -14.540 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.893 -5.583 -13.945 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.031 -5.638 -12.389 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.348 -4.720 -13.752 1.00 0.00 H new ATOM 777 N GLY A 51 3.748 -2.883 -9.450 1.00 0.00 N ATOM 778 CA GLY A 51 3.842 -3.467 -8.085 1.00 0.00 C ATOM 779 C GLY A 51 4.313 -2.414 -7.079 1.00 0.00 C ATOM 780 O GLY A 51 4.730 -1.330 -7.441 1.00 0.00 O ATOM 0 H GLY A 51 4.106 -1.933 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.870 -3.857 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.535 -4.308 -8.091 1.00 0.00 H new ATOM 784 N MET A 52 4.253 -2.741 -5.810 1.00 0.00 N ATOM 785 CA MET A 52 4.693 -1.794 -4.739 1.00 0.00 C ATOM 786 C MET A 52 5.684 -2.506 -3.819 1.00 0.00 C ATOM 787 O MET A 52 5.551 -3.682 -3.544 1.00 0.00 O ATOM 788 CB MET A 52 3.463 -1.351 -3.933 1.00 0.00 C ATOM 789 CG MET A 52 2.794 -0.164 -4.621 1.00 0.00 C ATOM 790 SD MET A 52 1.207 0.179 -3.828 1.00 0.00 S ATOM 791 CE MET A 52 1.856 0.620 -2.199 1.00 0.00 C ATOM 0 H MET A 52 3.912 -3.639 -5.467 1.00 0.00 H new ATOM 0 HA MET A 52 5.174 -0.921 -5.181 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.757 -2.177 -3.845 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.760 -1.076 -2.921 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.438 0.713 -4.563 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.644 -0.381 -5.679 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.117 1.215 -1.662 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.071 -0.288 -1.635 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.772 1.199 -2.317 1.00 0.00 H new ATOM 801 N TYR A 53 6.676 -1.795 -3.339 1.00 0.00 N ATOM 802 CA TYR A 53 7.688 -2.415 -2.434 1.00 0.00 C ATOM 803 C TYR A 53 7.500 -1.889 -1.009 1.00 0.00 C ATOM 804 O TYR A 53 7.793 -0.748 -0.709 1.00 0.00 O ATOM 805 CB TYR A 53 9.086 -2.058 -2.938 1.00 0.00 C ATOM 806 CG TYR A 53 9.305 -2.705 -4.285 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.892 -2.054 -5.454 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.917 -3.961 -4.363 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.092 -2.660 -6.701 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.118 -4.567 -5.610 1.00 0.00 C ATOM 811 CZ TYR A 53 9.705 -3.917 -6.779 1.00 0.00 C ATOM 812 OH TYR A 53 9.902 -4.514 -8.008 1.00 0.00 O ATOM 0 H TYR A 53 6.827 -0.806 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 53 7.564 -3.498 -2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.192 -0.976 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.840 -2.400 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.419 -1.085 -5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.235 -4.464 -3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.773 -2.158 -7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.592 -5.536 -5.669 1.00 0.00 H new ATOM 0 HH TYR A 53 10.340 -5.382 -7.884 1.00 0.00 H new ATOM 822 N LEU A 54 7.016 -2.727 -0.129 1.00 0.00 N ATOM 823 CA LEU A 54 6.808 -2.308 1.286 1.00 0.00 C ATOM 824 C LEU A 54 8.052 -2.689 2.089 1.00 0.00 C ATOM 825 O LEU A 54 8.326 -3.853 2.307 1.00 0.00 O ATOM 826 CB LEU A 54 5.582 -3.038 1.847 1.00 0.00 C ATOM 827 CG LEU A 54 4.358 -2.749 0.964 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.156 -3.544 1.482 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.031 -1.248 0.993 1.00 0.00 C ATOM 0 H LEU A 54 6.754 -3.691 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 54 6.644 -1.232 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.771 -4.111 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.390 -2.713 2.870 1.00 0.00 H new ATOM 0 HG LEU A 54 4.579 -3.046 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.287 -3.339 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.383 -4.610 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.940 -3.250 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.162 -1.053 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.814 -0.943 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.884 -0.682 0.619 1.00 0.00 H new ATOM 841 N ILE A 55 8.818 -1.718 2.517 1.00 0.00 N ATOM 842 CA ILE A 55 10.060 -2.025 3.287 1.00 0.00 C ATOM 843 C ILE A 55 9.791 -1.886 4.784 1.00 0.00 C ATOM 844 O ILE A 55 9.570 -0.804 5.294 1.00 0.00 O ATOM 845 CB ILE A 55 11.156 -1.048 2.861 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.549 -1.339 1.405 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.383 -1.215 3.764 1.00 0.00 C ATOM 848 CD1 ILE A 55 10.385 -1.012 0.452 1.00 0.00 C ATOM 0 H ILE A 55 8.636 -0.726 2.366 1.00 0.00 H new ATOM 0 HA ILE A 55 10.378 -3.048 3.084 1.00 0.00 H new ATOM 0 HB ILE A 55 10.786 -0.026 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.424 -0.748 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.827 -2.388 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.160 -0.516 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.104 -1.013 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.759 -2.235 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.684 -1.225 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.520 -1.622 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.126 0.043 0.543 1.00 0.00 H new ATOM 860 N ASP A 56 9.812 -2.986 5.492 1.00 0.00 N ATOM 861 CA ASP A 56 9.560 -2.953 6.960 1.00 0.00 C ATOM 862 C ASP A 56 10.888 -2.863 7.714 1.00 0.00 C ATOM 863 O ASP A 56 11.953 -2.889 7.132 1.00 0.00 O ATOM 864 CB ASP A 56 8.832 -4.233 7.371 1.00 0.00 C ATOM 865 CG ASP A 56 7.387 -4.183 6.871 1.00 0.00 C ATOM 866 OD1 ASP A 56 6.951 -3.109 6.485 1.00 0.00 O ATOM 867 OD2 ASP A 56 6.739 -5.215 6.884 1.00 0.00 O ATOM 0 H ASP A 56 9.995 -3.914 5.110 1.00 0.00 H new ATOM 0 HA ASP A 56 8.950 -2.083 7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.341 -5.103 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.849 -4.341 8.455 1.00 0.00 H new ATOM 872 N ASP A 57 10.821 -2.763 9.014 1.00 0.00 N ATOM 873 CA ASP A 57 12.062 -2.678 9.833 1.00 0.00 C ATOM 874 C ASP A 57 12.877 -3.965 9.675 1.00 0.00 C ATOM 875 O ASP A 57 14.091 -3.941 9.624 1.00 0.00 O ATOM 876 CB ASP A 57 11.677 -2.506 11.302 1.00 0.00 C ATOM 877 CG ASP A 57 11.148 -1.089 11.532 1.00 0.00 C ATOM 878 OD1 ASP A 57 11.248 -0.285 10.619 1.00 0.00 O ATOM 879 OD2 ASP A 57 10.651 -0.832 12.615 1.00 0.00 O ATOM 0 H ASP A 57 9.952 -2.736 9.547 1.00 0.00 H new ATOM 0 HA ASP A 57 12.660 -1.830 9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.917 -3.238 11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.542 -2.690 11.939 1.00 0.00 H new ATOM 884 N GLU A 58 12.220 -5.091 9.621 1.00 0.00 N ATOM 885 CA GLU A 58 12.958 -6.380 9.488 1.00 0.00 C ATOM 886 C GLU A 58 13.175 -6.715 8.011 1.00 0.00 C ATOM 887 O GLU A 58 14.267 -6.581 7.491 1.00 0.00 O ATOM 888 CB GLU A 58 12.142 -7.498 10.144 1.00 0.00 C ATOM 889 CG GLU A 58 12.971 -8.786 10.200 1.00 0.00 C ATOM 890 CD GLU A 58 14.108 -8.619 11.211 1.00 0.00 C ATOM 891 OE1 GLU A 58 14.111 -7.620 11.910 1.00 0.00 O ATOM 892 OE2 GLU A 58 14.954 -9.497 11.272 1.00 0.00 O ATOM 0 H GLU A 58 11.204 -5.175 9.663 1.00 0.00 H new ATOM 0 HA GLU A 58 13.927 -6.288 9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.846 -7.202 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.225 -7.670 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.338 -9.626 10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.377 -9.013 9.214 1.00 0.00 H new ATOM 899 N GLY A 59 12.148 -7.179 7.337 1.00 0.00 N ATOM 900 CA GLY A 59 12.286 -7.562 5.894 1.00 0.00 C ATOM 901 C GLY A 59 11.440 -6.654 5.004 1.00 0.00 C ATOM 902 O GLY A 59 11.140 -5.524 5.341 1.00 0.00 O ATOM 0 H GLY A 59 11.215 -7.310 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.332 -7.498 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.979 -8.599 5.758 1.00 0.00 H new ATOM 906 N GLU A 60 11.063 -7.150 3.853 1.00 0.00 N ATOM 907 CA GLU A 60 10.241 -6.345 2.906 1.00 0.00 C ATOM 908 C GLU A 60 9.229 -7.262 2.217 1.00 0.00 C ATOM 909 O GLU A 60 9.447 -8.452 2.088 1.00 0.00 O ATOM 910 CB GLU A 60 11.151 -5.702 1.854 1.00 0.00 C ATOM 911 CG GLU A 60 12.142 -6.737 1.303 1.00 0.00 C ATOM 912 CD GLU A 60 13.236 -7.011 2.337 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.578 -6.094 3.066 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.721 -8.129 2.376 1.00 0.00 O ATOM 0 H GLU A 60 11.293 -8.089 3.528 1.00 0.00 H new ATOM 0 HA GLU A 60 9.715 -5.562 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.549 -5.296 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.695 -4.867 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.618 -7.662 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.587 -6.371 0.378 1.00 0.00 H new ATOM 921 N ILE A 61 8.117 -6.717 1.780 1.00 0.00 N ATOM 922 CA ILE A 61 7.069 -7.542 1.101 1.00 0.00 C ATOM 923 C ILE A 61 6.850 -7.036 -0.325 1.00 0.00 C ATOM 924 O ILE A 61 6.765 -5.849 -0.571 1.00 0.00 O ATOM 925 CB ILE A 61 5.762 -7.449 1.886 1.00 0.00 C ATOM 926 CG1 ILE A 61 5.968 -8.077 3.266 1.00 0.00 C ATOM 927 CG2 ILE A 61 4.664 -8.206 1.137 1.00 0.00 C ATOM 928 CD1 ILE A 61 4.772 -7.761 4.165 1.00 0.00 C ATOM 0 H ILE A 61 7.890 -5.726 1.866 1.00 0.00 H new ATOM 0 HA ILE A 61 7.398 -8.580 1.063 1.00 0.00 H new ATOM 0 HB ILE A 61 5.468 -6.405 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.087 -9.156 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.884 -7.694 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.731 -8.141 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.527 -7.765 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.951 -9.252 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.925 -8.211 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.673 -6.681 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.864 -8.166 3.718 1.00 0.00 H new ATOM 940 N ILE A 62 6.766 -7.939 -1.270 1.00 0.00 N ATOM 941 CA ILE A 62 6.564 -7.533 -2.689 1.00 0.00 C ATOM 942 C ILE A 62 5.094 -7.698 -3.060 1.00 0.00 C ATOM 943 O ILE A 62 4.510 -8.750 -2.884 1.00 0.00 O ATOM 944 CB ILE A 62 7.409 -8.430 -3.595 1.00 0.00 C ATOM 945 CG1 ILE A 62 8.878 -8.384 -3.148 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.290 -7.959 -5.045 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.372 -6.933 -3.077 1.00 0.00 C ATOM 0 H ILE A 62 6.829 -8.945 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 62 6.861 -6.492 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 62 7.047 -9.456 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.983 -8.858 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.495 -8.951 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.894 -8.601 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.247 -8.009 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.644 -6.931 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.414 -6.919 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.286 -6.471 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.766 -6.377 -2.361 1.00 0.00 H new ATOM 959 N THR A 63 4.497 -6.654 -3.577 1.00 0.00 N ATOM 960 CA THR A 63 3.062 -6.704 -3.977 1.00 0.00 C ATOM 961 C THR A 63 2.942 -6.367 -5.463 1.00 0.00 C ATOM 962 O THR A 63 3.408 -5.341 -5.919 1.00 0.00 O ATOM 963 CB THR A 63 2.281 -5.681 -3.150 1.00 0.00 C ATOM 964 OG1 THR A 63 2.343 -6.044 -1.777 1.00 0.00 O ATOM 965 CG2 THR A 63 0.822 -5.649 -3.607 1.00 0.00 C ATOM 0 H THR A 63 4.953 -5.756 -3.740 1.00 0.00 H new ATOM 0 HA THR A 63 2.658 -7.701 -3.801 1.00 0.00 H new ATOM 0 HB THR A 63 2.719 -4.692 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.616 -5.267 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.271 -4.919 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.777 -5.371 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.377 -6.635 -3.473 1.00 0.00 H new ATOM 973 N ARG A 64 2.321 -7.235 -6.219 1.00 0.00 N ATOM 974 CA ARG A 64 2.158 -7.001 -7.684 1.00 0.00 C ATOM 975 C ARG A 64 0.692 -6.671 -7.972 1.00 0.00 C ATOM 976 O ARG A 64 0.326 -6.323 -9.078 1.00 0.00 O ATOM 977 CB ARG A 64 2.551 -8.282 -8.427 1.00 0.00 C ATOM 978 CG ARG A 64 4.004 -8.665 -8.101 1.00 0.00 C ATOM 979 CD ARG A 64 4.979 -7.817 -8.929 1.00 0.00 C ATOM 980 NE ARG A 64 4.689 -8.016 -10.376 1.00 0.00 N ATOM 981 CZ ARG A 64 5.143 -7.174 -11.265 1.00 0.00 C ATOM 982 NH1 ARG A 64 5.838 -6.134 -10.891 1.00 0.00 N ATOM 983 NH2 ARG A 64 4.895 -7.369 -12.530 1.00 0.00 N ATOM 0 H ARG A 64 1.915 -8.107 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 64 2.788 -6.174 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.882 -9.094 -8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.439 -8.136 -9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.196 -8.518 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.164 -9.723 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.878 -6.764 -8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.007 -8.103 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 64 4.131 -8.816 -10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.028 -5.977 -9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.191 -5.479 -11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.347 -8.178 -12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.249 -6.713 -13.226 1.00 0.00 H new ATOM 997 N GLU A 65 -0.146 -6.772 -6.978 1.00 0.00 N ATOM 998 CA GLU A 65 -1.588 -6.460 -7.178 1.00 0.00 C ATOM 999 C GLU A 65 -1.817 -4.975 -6.917 1.00 0.00 C ATOM 1000 O GLU A 65 -2.285 -4.586 -5.863 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.428 -7.295 -6.210 1.00 0.00 C ATOM 1002 CG GLU A 65 -2.304 -8.779 -6.574 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.915 -9.023 -7.956 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.708 -8.200 -8.385 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.577 -10.024 -8.565 1.00 0.00 O ATOM 0 H GLU A 65 0.107 -7.058 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.881 -6.698 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.092 -7.132 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.472 -6.984 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.256 -9.078 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.812 -9.390 -5.828 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.481 -4.140 -7.873 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.662 -2.666 -7.702 1.00 0.00 C ATOM 1014 C VAL A 66 -2.567 -2.127 -8.806 1.00 0.00 C ATOM 1015 O VAL A 66 -2.397 -2.441 -9.969 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.301 -1.978 -7.776 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.489 -0.465 -7.653 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.575 -2.477 -6.628 1.00 0.00 C ATOM 0 H VAL A 66 -1.086 -4.421 -8.771 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.120 -2.467 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 66 0.176 -2.207 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.482 0.028 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.121 -0.110 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.962 -0.234 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.549 -1.990 -6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.097 -2.242 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.705 -3.556 -6.712 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.534 -1.318 -8.444 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.470 -0.743 -9.458 1.00 0.00 C ATOM 1030 C LYS A 67 -4.573 0.767 -9.266 1.00 0.00 C ATOM 1031 O LYS A 67 -4.551 1.270 -8.158 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.851 -1.372 -9.288 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.792 -2.843 -9.704 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.150 -3.510 -9.450 1.00 0.00 C ATOM 1035 CE LYS A 67 -8.157 -3.092 -10.528 1.00 0.00 C ATOM 1036 NZ LYS A 67 -9.359 -3.966 -10.449 1.00 0.00 N ATOM 0 H LYS A 67 -3.715 -1.030 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.092 -0.954 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.176 -1.288 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.583 -0.840 -9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.530 -2.922 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.013 -3.358 -9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.036 -4.594 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.523 -3.228 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.443 -2.049 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.702 -3.169 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.043 -3.683 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.079 -4.956 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.797 -3.871 -9.510 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.671 1.493 -10.349 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.760 2.978 -10.265 1.00 0.00 C ATOM 1052 C GLY A 68 -6.222 3.431 -10.256 1.00 0.00 C ATOM 1053 O GLY A 68 -7.063 2.870 -10.931 1.00 0.00 O ATOM 0 H GLY A 68 -4.693 1.115 -11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.260 3.327 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.240 3.427 -11.111 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.520 4.460 -9.500 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.914 4.988 -9.435 1.00 0.00 C ATOM 1059 C LYS A 69 -7.976 6.301 -10.212 1.00 0.00 C ATOM 1060 O LYS A 69 -7.464 7.325 -9.785 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.285 5.223 -7.970 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.276 3.891 -7.205 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.566 3.108 -7.483 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.562 1.815 -6.672 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.824 1.070 -6.933 1.00 0.00 N ATOM 0 H LYS A 69 -5.847 4.960 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.616 4.277 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.579 5.918 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.271 5.682 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.411 3.298 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.180 4.079 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.434 3.712 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.645 2.882 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.702 1.204 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.471 2.039 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.826 0.188 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.637 1.655 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.892 0.846 -7.946 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.586 6.265 -11.371 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.679 7.481 -12.225 1.00 0.00 C ATOM 1081 C PHE A 70 -10.058 8.124 -12.081 1.00 0.00 C ATOM 1082 O PHE A 70 -11.063 7.448 -11.963 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.475 7.076 -13.686 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.141 6.384 -13.840 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -5.979 7.145 -13.992 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.067 4.987 -13.833 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -4.740 6.510 -14.138 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.829 4.350 -13.980 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.664 5.113 -14.130 1.00 0.00 C ATOM 0 H PHE A 70 -9.027 5.433 -11.763 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.916 8.195 -11.915 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.279 6.413 -14.005 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.515 7.957 -14.327 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.037 8.223 -13.997 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.965 4.400 -13.714 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.842 7.099 -14.257 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.772 3.271 -13.978 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.708 4.623 -14.239 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.106 9.434 -12.112 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.407 10.161 -12.001 1.00 0.00 C ATOM 1101 C ILE A 71 -11.700 10.870 -13.328 1.00 0.00 C ATOM 1102 O ILE A 71 -11.059 11.838 -13.686 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.311 11.189 -10.872 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.137 10.457 -9.535 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.588 12.027 -10.836 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -10.816 11.462 -8.425 1.00 0.00 C ATOM 0 H ILE A 71 -9.289 10.036 -12.211 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.211 9.459 -11.782 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.456 11.843 -11.043 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.047 9.910 -9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.336 9.723 -9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.520 12.760 -10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.711 12.544 -11.788 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.445 11.377 -10.663 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.694 10.933 -7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.893 11.989 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.632 12.180 -8.337 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.672 10.384 -14.057 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.035 11.001 -15.368 1.00 0.00 C ATOM 1120 C ASN A 72 -11.795 11.094 -16.268 1.00 0.00 C ATOM 1121 O ASN A 72 -11.632 12.030 -17.029 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.635 12.392 -15.149 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.783 12.297 -14.138 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.182 13.288 -13.561 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -15.335 11.136 -13.897 1.00 0.00 N ATOM 0 H ASN A 72 -13.236 9.576 -13.796 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.779 10.373 -15.858 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.870 13.077 -14.784 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.000 12.796 -16.093 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.099 11.064 -13.225 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.001 10.302 -14.381 1.00 0.00 H new ATOM 1132 N GLY A 73 -10.927 10.122 -16.195 1.00 0.00 N ATOM 1133 CA GLY A 73 -9.710 10.141 -17.052 1.00 0.00 C ATOM 1134 C GLY A 73 -8.690 11.113 -16.474 1.00 0.00 C ATOM 1135 O GLY A 73 -7.775 11.534 -17.154 1.00 0.00 O ATOM 0 H GLY A 73 -11.009 9.314 -15.577 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.280 9.141 -17.112 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.973 10.436 -18.068 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.838 11.475 -15.222 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.877 12.424 -14.588 1.00 0.00 C ATOM 1141 C ARG A 74 -7.231 11.758 -13.360 1.00 0.00 C ATOM 1142 O ARG A 74 -7.820 11.719 -12.297 1.00 0.00 O ATOM 1143 CB ARG A 74 -8.612 13.690 -14.153 1.00 0.00 C ATOM 1144 CG ARG A 74 -7.588 14.784 -13.795 1.00 0.00 C ATOM 1145 CD ARG A 74 -7.158 15.550 -15.056 1.00 0.00 C ATOM 1146 NE ARG A 74 -8.351 16.193 -15.670 1.00 0.00 N ATOM 1147 CZ ARG A 74 -8.308 16.644 -16.895 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -7.219 16.524 -17.606 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -9.361 17.214 -17.410 1.00 0.00 N ATOM 0 H ARG A 74 -9.588 11.151 -14.611 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.103 12.687 -15.309 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.265 14.037 -14.954 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.247 13.477 -13.293 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.022 15.475 -13.073 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.716 14.334 -13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.414 16.305 -14.801 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.691 14.869 -15.768 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.211 16.282 -15.129 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.395 16.076 -17.205 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.192 16.878 -18.562 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.213 17.306 -16.857 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.333 17.568 -18.366 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.027 11.235 -13.498 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.314 10.563 -12.371 1.00 0.00 C ATOM 1165 C PRO A 75 -5.278 11.423 -11.101 1.00 0.00 C ATOM 1166 O PRO A 75 -4.916 12.583 -11.126 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.889 10.339 -12.913 1.00 0.00 C ATOM 1168 CG PRO A 75 -4.017 10.351 -14.407 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.230 11.221 -14.738 1.00 0.00 C ATOM 0 HA PRO A 75 -5.815 9.642 -12.074 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.213 11.123 -12.572 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.481 9.391 -12.562 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.115 10.753 -14.869 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.149 9.340 -14.792 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.929 12.228 -15.027 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.799 10.807 -15.570 1.00 0.00 H new ATOM 1177 N THR A 76 -5.646 10.844 -9.990 1.00 0.00 N ATOM 1178 CA THR A 76 -5.636 11.599 -8.709 1.00 0.00 C ATOM 1179 C THR A 76 -5.436 10.633 -7.543 1.00 0.00 C ATOM 1180 O THR A 76 -4.892 11.002 -6.518 1.00 0.00 O ATOM 1181 CB THR A 76 -6.970 12.331 -8.528 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.338 12.958 -9.747 1.00 0.00 O ATOM 1183 CG2 THR A 76 -6.831 13.384 -7.426 1.00 0.00 C ATOM 0 H THR A 76 -5.955 9.875 -9.917 1.00 0.00 H new ATOM 0 HA THR A 76 -4.821 12.322 -8.731 1.00 0.00 H new ATOM 0 HB THR A 76 -7.741 11.615 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.192 13.424 -9.630 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.780 13.904 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.555 12.897 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.059 14.101 -7.704 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.888 9.403 -7.671 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.736 8.431 -6.543 1.00 0.00 C ATOM 1193 C ALA A 77 -5.251 7.079 -7.057 1.00 0.00 C ATOM 1194 O ALA A 77 -5.468 6.709 -8.195 1.00 0.00 O ATOM 1195 CB ALA A 77 -7.089 8.254 -5.852 1.00 0.00 C ATOM 0 H ALA A 77 -6.351 9.036 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.000 8.819 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.987 7.547 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.429 9.215 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.817 7.874 -6.569 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.592 6.336 -6.202 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.072 4.991 -6.585 1.00 0.00 C ATOM 1203 C ILE A 78 -4.419 3.993 -5.481 1.00 0.00 C ATOM 1204 O ILE A 78 -4.401 4.326 -4.311 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.557 5.061 -6.767 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.243 5.967 -7.960 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.002 3.657 -7.020 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.740 6.244 -8.018 1.00 0.00 C ATOM 0 H ILE A 78 -4.391 6.611 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.526 4.670 -7.523 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.095 5.466 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.571 5.493 -8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.792 6.905 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.921 3.711 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.234 3.015 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.455 3.244 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.522 6.889 -8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.425 6.737 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.201 5.303 -8.128 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.747 2.776 -5.844 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.117 1.744 -4.822 1.00 0.00 C ATOM 1222 C GLU A 79 -4.157 0.561 -4.907 1.00 0.00 C ATOM 1223 O GLU A 79 -3.630 0.243 -5.955 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.544 1.258 -5.095 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.991 0.286 -3.993 1.00 0.00 C ATOM 1226 CD GLU A 79 -6.385 -1.102 -4.236 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -5.970 -1.364 -5.352 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -6.346 -1.880 -3.296 1.00 0.00 O ATOM 0 H GLU A 79 -4.775 2.451 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.057 2.183 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.224 2.109 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.589 0.765 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.680 0.661 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.079 0.218 -3.976 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.932 -0.100 -3.797 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.013 -1.275 -3.787 1.00 0.00 C ATOM 1237 C ALA A 80 -3.601 -2.374 -2.904 1.00 0.00 C ATOM 1238 O ALA A 80 -4.237 -2.104 -1.904 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.645 -0.843 -3.246 1.00 0.00 C ATOM 0 H ALA A 80 -4.349 0.127 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.894 -1.659 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.970 -1.699 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.232 -0.062 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.759 -0.460 -2.232 1.00 0.00 H new ATOM 1245 N THR A 81 -3.391 -3.614 -3.272 1.00 0.00 N ATOM 1246 CA THR A 81 -3.929 -4.753 -2.470 1.00 0.00 C ATOM 1247 C THR A 81 -2.793 -5.703 -2.099 1.00 0.00 C ATOM 1248 O THR A 81 -1.986 -6.076 -2.929 1.00 0.00 O ATOM 1249 CB THR A 81 -4.974 -5.502 -3.294 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.040 -4.619 -3.615 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.510 -6.681 -2.482 1.00 0.00 C ATOM 0 H THR A 81 -2.865 -3.887 -4.102 1.00 0.00 H new ATOM 0 HA THR A 81 -4.388 -4.370 -1.559 1.00 0.00 H new ATOM 0 HB THR A 81 -4.521 -5.873 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.861 -3.736 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.256 -7.217 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.690 -7.355 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.967 -6.313 -1.563 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.726 -6.094 -0.850 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.646 -7.019 -0.392 1.00 0.00 C ATOM 1261 C VAL A 82 -2.258 -8.379 -0.044 1.00 0.00 C ATOM 1262 O VAL A 82 -3.235 -8.470 0.674 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.972 -6.421 0.846 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.066 -7.466 1.506 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.132 -5.215 0.423 1.00 0.00 C ATOM 0 H VAL A 82 -3.381 -5.808 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.907 -7.151 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.736 -6.111 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.409 -7.032 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.662 -8.328 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.700 -7.782 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.352 -4.783 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.628 -5.533 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.776 -4.468 -0.041 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.686 -9.435 -0.559 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.218 -10.799 -0.280 1.00 0.00 C ATOM 1277 C ILE A 83 -1.488 -11.404 0.919 1.00 0.00 C ATOM 1278 O ILE A 83 -0.273 -11.438 0.969 1.00 0.00 O ATOM 1279 CB ILE A 83 -1.998 -11.686 -1.505 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.576 -11.003 -2.754 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.682 -13.036 -1.290 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.033 -10.588 -2.512 1.00 0.00 C ATOM 0 H ILE A 83 -0.866 -9.410 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.283 -10.733 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.929 -11.843 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.979 -10.127 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.521 -11.682 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.524 -13.667 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.259 -13.522 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.751 -12.883 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.427 -10.106 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.630 -11.471 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.079 -9.892 -1.674 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.230 -11.887 1.882 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.614 -12.506 3.092 1.00 0.00 C ATOM 1296 C LEU A 84 -1.838 -14.020 3.037 1.00 0.00 C ATOM 1297 O LEU A 84 -2.383 -14.615 3.945 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.280 -11.920 4.341 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.184 -10.387 4.304 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.920 -9.801 5.511 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.713 -9.953 4.346 1.00 0.00 C ATOM 0 H LEU A 84 -3.250 -11.878 1.880 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.544 -12.300 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.325 -12.228 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.795 -12.303 5.238 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.639 -10.023 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.852 -8.713 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.968 -10.100 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.465 -10.171 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.654 -8.865 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.252 -10.319 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.187 -10.366 3.485 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.420 -14.640 1.965 1.00 0.00 N ATOM 1314 CA ASN A 85 -1.595 -16.112 1.828 1.00 0.00 C ATOM 1315 C ASN A 85 -0.772 -16.821 2.903 1.00 0.00 C ATOM 1316 O ASN A 85 -1.200 -17.800 3.487 1.00 0.00 O ATOM 1317 CB ASN A 85 -1.099 -16.551 0.447 1.00 0.00 C ATOM 1318 CG ASN A 85 -2.107 -16.141 -0.631 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -1.728 -15.853 -1.749 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -3.381 -16.108 -0.349 1.00 0.00 N ATOM 0 H ASN A 85 -0.962 -14.185 1.175 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.648 -16.368 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.129 -16.098 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.956 -17.632 0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.055 -15.841 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.702 -16.349 0.589 1.00 0.00 H new ATOM 1327 N SER A 86 0.416 -16.345 3.155 1.00 0.00 N ATOM 1328 CA SER A 86 1.281 -16.996 4.178 1.00 0.00 C ATOM 1329 C SER A 86 0.936 -16.479 5.578 1.00 0.00 C ATOM 1330 O SER A 86 0.427 -15.387 5.748 1.00 0.00 O ATOM 1331 CB SER A 86 2.748 -16.699 3.867 1.00 0.00 C ATOM 1332 OG SER A 86 3.001 -16.973 2.495 1.00 0.00 O ATOM 0 H SER A 86 0.826 -15.532 2.696 1.00 0.00 H new ATOM 0 HA SER A 86 1.110 -18.072 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.975 -15.656 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.396 -17.308 4.497 1.00 0.00 H new ATOM 0 HG SER A 86 3.940 -16.782 2.291 1.00 0.00 H new ATOM 1338 N GLN A 87 1.216 -17.270 6.577 1.00 0.00 N ATOM 1339 CA GLN A 87 0.923 -16.871 7.985 1.00 0.00 C ATOM 1340 C GLN A 87 1.939 -15.823 8.483 1.00 0.00 C ATOM 1341 O GLN A 87 1.558 -14.736 8.867 1.00 0.00 O ATOM 1342 CB GLN A 87 0.982 -18.127 8.877 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.412 -18.744 9.020 1.00 0.00 C ATOM 1344 CD GLN A 87 -1.001 -18.989 7.631 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -0.557 -19.864 6.916 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -1.987 -18.244 7.216 1.00 0.00 N ATOM 0 H GLN A 87 1.642 -18.191 6.476 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.070 -16.424 8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.667 -18.856 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.374 -17.865 9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.352 -19.682 9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.060 -18.078 9.590 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.359 -17.509 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.386 -18.396 6.290 1.00 0.00 H new ATOM 1355 N PRO A 88 3.217 -16.135 8.497 1.00 0.00 N ATOM 1356 CA PRO A 88 4.252 -15.178 8.982 1.00 0.00 C ATOM 1357 C PRO A 88 4.069 -13.794 8.350 1.00 0.00 C ATOM 1358 O PRO A 88 4.588 -12.805 8.829 1.00 0.00 O ATOM 1359 CB PRO A 88 5.603 -15.815 8.567 1.00 0.00 C ATOM 1360 CG PRO A 88 5.264 -17.026 7.738 1.00 0.00 C ATOM 1361 CD PRO A 88 3.821 -17.408 8.073 1.00 0.00 C ATOM 0 HA PRO A 88 4.190 -15.018 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.206 -15.109 7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.186 -16.095 9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.368 -16.807 6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.943 -17.849 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.306 -17.828 7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.777 -18.156 8.865 1.00 0.00 H new ATOM 1369 N GLU A 89 3.332 -13.723 7.279 1.00 0.00 N ATOM 1370 CA GLU A 89 3.106 -12.415 6.614 1.00 0.00 C ATOM 1371 C GLU A 89 2.315 -11.499 7.555 1.00 0.00 C ATOM 1372 O GLU A 89 2.534 -10.305 7.610 1.00 0.00 O ATOM 1373 CB GLU A 89 2.303 -12.641 5.336 1.00 0.00 C ATOM 1374 CG GLU A 89 2.345 -11.379 4.478 1.00 0.00 C ATOM 1375 CD GLU A 89 3.730 -11.240 3.848 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.521 -12.156 3.997 1.00 0.00 O ATOM 1377 OE2 GLU A 89 3.975 -10.219 3.228 1.00 0.00 O ATOM 0 H GLU A 89 2.875 -14.519 6.835 1.00 0.00 H new ATOM 0 HA GLU A 89 4.062 -11.951 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.713 -13.485 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.271 -12.892 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.583 -11.429 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.121 -10.504 5.088 1.00 0.00 H new ATOM 1384 N TRP A 90 1.392 -12.057 8.289 1.00 0.00 N ATOM 1385 CA TRP A 90 0.575 -11.236 9.229 1.00 0.00 C ATOM 1386 C TRP A 90 1.487 -10.571 10.265 1.00 0.00 C ATOM 1387 O TRP A 90 1.252 -9.457 10.691 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.444 -12.149 9.938 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.696 -12.249 9.126 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.075 -13.325 8.401 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.736 -11.247 8.947 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.282 -13.046 7.786 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.730 -11.775 8.092 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.907 -9.940 9.441 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -4.856 -11.034 7.738 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.040 -9.191 9.087 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.013 -9.736 8.236 1.00 0.00 C ATOM 0 H TRP A 90 1.167 -13.052 8.278 1.00 0.00 H new ATOM 0 HA TRP A 90 0.047 -10.460 8.675 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.016 -13.141 10.084 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.673 -11.752 10.927 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.525 -14.251 8.316 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.780 -13.698 7.181 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.163 -9.511 10.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.603 -11.459 7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.163 -8.189 9.472 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.882 -9.154 7.966 1.00 0.00 H new ATOM 1408 N ASP A 91 2.512 -11.252 10.689 1.00 0.00 N ATOM 1409 CA ASP A 91 3.423 -10.667 11.713 1.00 0.00 C ATOM 1410 C ASP A 91 4.005 -9.352 11.188 1.00 0.00 C ATOM 1411 O ASP A 91 4.032 -8.351 11.877 1.00 0.00 O ATOM 1412 CB ASP A 91 4.565 -11.645 11.974 1.00 0.00 C ATOM 1413 CG ASP A 91 4.044 -12.866 12.733 1.00 0.00 C ATOM 1414 OD1 ASP A 91 2.933 -12.801 13.233 1.00 0.00 O ATOM 1415 OD2 ASP A 91 4.764 -13.848 12.798 1.00 0.00 O ATOM 0 H ASP A 91 2.760 -12.189 10.372 1.00 0.00 H new ATOM 0 HA ASP A 91 2.869 -10.480 12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.011 -11.957 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.350 -11.155 12.551 1.00 0.00 H new ATOM 1420 N ARG A 92 4.477 -9.352 9.974 1.00 0.00 N ATOM 1421 CA ARG A 92 5.061 -8.109 9.394 1.00 0.00 C ATOM 1422 C ARG A 92 3.953 -7.072 9.178 1.00 0.00 C ATOM 1423 O ARG A 92 4.138 -5.891 9.396 1.00 0.00 O ATOM 1424 CB ARG A 92 5.708 -8.441 8.049 1.00 0.00 C ATOM 1425 CG ARG A 92 6.980 -9.266 8.274 1.00 0.00 C ATOM 1426 CD ARG A 92 7.612 -9.618 6.923 1.00 0.00 C ATOM 1427 NE ARG A 92 8.855 -10.408 7.150 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.722 -10.573 6.184 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.510 -10.043 5.011 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.806 -11.269 6.396 1.00 0.00 N ATOM 0 H ARG A 92 4.484 -10.162 9.355 1.00 0.00 H new ATOM 0 HA ARG A 92 5.808 -7.704 10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.008 -8.998 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.949 -7.522 7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.688 -8.703 8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.742 -10.177 8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.909 -10.191 6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.842 -8.708 6.368 1.00 0.00 H new ATOM 0 HE ARG A 92 9.031 -10.823 8.065 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.665 -9.497 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.189 -10.175 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.975 -11.683 7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.484 -11.399 5.645 1.00 0.00 H new ATOM 1444 N PHE A 93 2.808 -7.511 8.731 1.00 0.00 N ATOM 1445 CA PHE A 93 1.682 -6.567 8.479 1.00 0.00 C ATOM 1446 C PHE A 93 1.258 -5.882 9.782 1.00 0.00 C ATOM 1447 O PHE A 93 1.094 -4.680 9.841 1.00 0.00 O ATOM 1448 CB PHE A 93 0.499 -7.352 7.916 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.627 -6.404 7.589 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -1.539 -6.036 8.583 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.755 -5.891 6.293 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -2.582 -5.155 8.282 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.799 -5.010 5.992 1.00 0.00 C ATOM 1454 CZ PHE A 93 -2.713 -4.641 6.987 1.00 0.00 C ATOM 0 H PHE A 93 2.603 -8.489 8.528 1.00 0.00 H new ATOM 0 HA PHE A 93 2.004 -5.805 7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.803 -7.895 7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.164 -8.094 8.641 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.438 -6.432 9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.049 -6.175 5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.287 -4.871 9.049 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.900 -4.614 4.992 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.519 -3.960 6.755 1.00 0.00 H new ATOM 1464 N MET A 94 1.075 -6.642 10.827 1.00 0.00 N ATOM 1465 CA MET A 94 0.658 -6.041 12.126 1.00 0.00 C ATOM 1466 C MET A 94 1.758 -5.109 12.638 1.00 0.00 C ATOM 1467 O MET A 94 1.498 -4.023 13.116 1.00 0.00 O ATOM 1468 CB MET A 94 0.436 -7.162 13.141 1.00 0.00 C ATOM 1469 CG MET A 94 -0.753 -8.028 12.712 1.00 0.00 C ATOM 1470 SD MET A 94 -2.286 -7.062 12.797 1.00 0.00 S ATOM 1471 CE MET A 94 -2.551 -7.170 14.589 1.00 0.00 C ATOM 0 H MET A 94 1.196 -7.655 10.837 1.00 0.00 H new ATOM 0 HA MET A 94 -0.262 -5.473 11.989 1.00 0.00 H new ATOM 0 HB2 MET A 94 1.334 -7.775 13.220 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.251 -6.739 14.128 1.00 0.00 H new ATOM 0 HG2 MET A 94 -0.600 -8.394 11.697 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.828 -8.903 13.358 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.443 -7.763 14.790 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.688 -7.644 15.057 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.681 -6.168 14.999 1.00 0.00 H new ATOM 1481 N ARG A 95 2.987 -5.534 12.543 1.00 0.00 N ATOM 1482 CA ARG A 95 4.116 -4.687 13.021 1.00 0.00 C ATOM 1483 C ARG A 95 4.213 -3.425 12.159 1.00 0.00 C ATOM 1484 O ARG A 95 4.400 -2.331 12.656 1.00 0.00 O ATOM 1485 CB ARG A 95 5.414 -5.488 12.912 1.00 0.00 C ATOM 1486 CG ARG A 95 6.581 -4.674 13.481 1.00 0.00 C ATOM 1487 CD ARG A 95 7.877 -5.483 13.369 1.00 0.00 C ATOM 1488 NE ARG A 95 8.968 -4.761 14.083 1.00 0.00 N ATOM 1489 CZ ARG A 95 10.221 -5.054 13.852 1.00 0.00 C ATOM 1490 NH1 ARG A 95 10.531 -5.987 12.994 1.00 0.00 N ATOM 1491 NH2 ARG A 95 11.166 -4.412 14.483 1.00 0.00 N ATOM 0 H ARG A 95 3.260 -6.436 12.153 1.00 0.00 H new ATOM 0 HA ARG A 95 3.948 -4.396 14.058 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.317 -6.429 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.609 -5.740 11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.680 -3.734 12.939 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.387 -4.422 14.524 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.739 -6.475 13.799 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.143 -5.624 12.321 1.00 0.00 H new ATOM 0 HE ARG A 95 8.735 -4.032 14.758 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.794 -6.491 12.500 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.510 -6.212 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.926 -3.683 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.144 -4.639 14.304 1.00 0.00 H new ATOM 1505 N PHE A 96 4.092 -3.570 10.867 1.00 0.00 N ATOM 1506 CA PHE A 96 4.177 -2.383 9.968 1.00 0.00 C ATOM 1507 C PHE A 96 3.050 -1.408 10.306 1.00 0.00 C ATOM 1508 O PHE A 96 3.258 -0.218 10.433 1.00 0.00 O ATOM 1509 CB PHE A 96 4.039 -2.839 8.513 1.00 0.00 C ATOM 1510 CG PHE A 96 3.963 -1.630 7.605 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.128 -0.930 7.268 1.00 0.00 C ATOM 1512 CD2 PHE A 96 2.724 -1.211 7.100 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.053 0.188 6.429 1.00 0.00 C ATOM 1514 CE2 PHE A 96 2.651 -0.093 6.262 1.00 0.00 C ATOM 1515 CZ PHE A 96 3.815 0.608 5.927 1.00 0.00 C ATOM 0 H PHE A 96 3.938 -4.461 10.394 1.00 0.00 H new ATOM 0 HA PHE A 96 5.138 -1.888 10.105 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.889 -3.462 8.235 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.144 -3.450 8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.083 -1.252 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 96 1.825 -1.752 7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.951 0.728 6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 96 1.696 0.229 5.874 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.759 1.472 5.282 1.00 0.00 H new ATOM 1525 N MET A 97 1.852 -1.904 10.431 1.00 0.00 N ATOM 1526 CA MET A 97 0.702 -1.013 10.746 1.00 0.00 C ATOM 1527 C MET A 97 0.881 -0.422 12.146 1.00 0.00 C ATOM 1528 O MET A 97 0.598 0.735 12.385 1.00 0.00 O ATOM 1529 CB MET A 97 -0.592 -1.830 10.698 1.00 0.00 C ATOM 1530 CG MET A 97 -1.802 -0.922 10.948 1.00 0.00 C ATOM 1531 SD MET A 97 -1.930 0.293 9.612 1.00 0.00 S ATOM 1532 CE MET A 97 -3.551 0.956 10.061 1.00 0.00 C ATOM 0 H MET A 97 1.619 -2.892 10.328 1.00 0.00 H new ATOM 0 HA MET A 97 0.654 -0.204 10.017 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.688 -2.316 9.727 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.560 -2.620 11.448 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.713 -1.518 11.000 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.698 -0.414 11.907 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.681 1.938 9.607 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.331 0.284 9.702 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.620 1.046 11.145 1.00 0.00 H new ATOM 1542 N GLU A 98 1.328 -1.218 13.075 1.00 0.00 N ATOM 1543 CA GLU A 98 1.507 -0.715 14.465 1.00 0.00 C ATOM 1544 C GLU A 98 2.560 0.398 14.480 1.00 0.00 C ATOM 1545 O GLU A 98 2.328 1.481 14.982 1.00 0.00 O ATOM 1546 CB GLU A 98 1.981 -1.871 15.348 1.00 0.00 C ATOM 1547 CG GLU A 98 1.990 -1.440 16.816 1.00 0.00 C ATOM 1548 CD GLU A 98 0.551 -1.279 17.308 1.00 0.00 C ATOM 1549 OE1 GLU A 98 -0.349 -1.644 16.572 1.00 0.00 O ATOM 1550 OE2 GLU A 98 0.376 -0.797 18.416 1.00 0.00 O ATOM 0 H GLU A 98 1.578 -2.197 12.932 1.00 0.00 H new ATOM 0 HA GLU A 98 0.562 -0.320 14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.325 -2.732 15.217 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.981 -2.183 15.046 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.512 -2.182 17.421 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.531 -0.500 16.927 1.00 0.00 H new ATOM 1557 N ARG A 99 3.717 0.132 13.942 1.00 0.00 N ATOM 1558 CA ARG A 99 4.795 1.164 13.926 1.00 0.00 C ATOM 1559 C ARG A 99 4.417 2.307 12.981 1.00 0.00 C ATOM 1560 O ARG A 99 4.610 3.468 13.283 1.00 0.00 O ATOM 1561 CB ARG A 99 6.093 0.517 13.443 1.00 0.00 C ATOM 1562 CG ARG A 99 7.233 1.542 13.491 1.00 0.00 C ATOM 1563 CD ARG A 99 8.542 0.873 13.065 1.00 0.00 C ATOM 1564 NE ARG A 99 9.676 1.820 13.269 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.999 2.685 12.341 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.324 2.737 11.226 1.00 0.00 N ATOM 1567 NH2 ARG A 99 11.001 3.499 12.535 1.00 0.00 N ATOM 0 H ARG A 99 3.965 -0.758 13.511 1.00 0.00 H new ATOM 0 HA ARG A 99 4.926 1.565 14.931 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.337 -0.342 14.069 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.968 0.145 12.426 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.010 2.381 12.831 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.330 1.946 14.499 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.704 -0.035 13.646 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.487 0.576 12.018 1.00 0.00 H new ATOM 0 HE ARG A 99 10.205 1.793 14.141 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.540 2.102 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.580 3.413 10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.529 3.459 13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.256 4.175 11.815 1.00 0.00 H new ATOM 1581 N TYR A 100 3.900 1.984 11.830 1.00 0.00 N ATOM 1582 CA TYR A 100 3.527 3.041 10.849 1.00 0.00 C ATOM 1583 C TYR A 100 2.432 3.936 11.436 1.00 0.00 C ATOM 1584 O TYR A 100 2.487 5.147 11.348 1.00 0.00 O ATOM 1585 CB TYR A 100 3.008 2.382 9.573 1.00 0.00 C ATOM 1586 CG TYR A 100 2.593 3.447 8.589 1.00 0.00 C ATOM 1587 CD1 TYR A 100 3.542 4.008 7.729 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.260 3.873 8.537 1.00 0.00 C ATOM 1589 CE1 TYR A 100 3.161 4.996 6.816 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.879 4.863 7.624 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.830 5.425 6.764 1.00 0.00 C ATOM 1592 OH TYR A 100 1.455 6.400 5.867 1.00 0.00 O ATOM 0 H TYR A 100 3.718 1.028 11.524 1.00 0.00 H new ATOM 0 HA TYR A 100 4.404 3.648 10.624 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.782 1.751 9.137 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.161 1.735 9.804 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.570 3.678 7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.527 3.438 9.200 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.894 5.428 6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.148 5.193 7.583 1.00 0.00 H new ATOM 0 HH TYR A 100 2.027 6.351 5.073 1.00 0.00 H new ATOM 1602 N GLY A 101 1.429 3.341 12.020 1.00 0.00 N ATOM 1603 CA GLY A 101 0.313 4.141 12.601 1.00 0.00 C ATOM 1604 C GLY A 101 0.841 5.023 13.735 1.00 0.00 C ATOM 1605 O GLY A 101 0.397 6.139 13.924 1.00 0.00 O ATOM 0 H GLY A 101 1.333 2.330 12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.143 4.761 11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.465 3.477 12.977 1.00 0.00 H new ATOM 1609 N ALA A 102 1.781 4.532 14.492 1.00 0.00 N ATOM 1610 CA ALA A 102 2.334 5.341 15.614 1.00 0.00 C ATOM 1611 C ALA A 102 3.050 6.573 15.056 1.00 0.00 C ATOM 1612 O ALA A 102 2.937 7.662 15.582 1.00 0.00 O ATOM 1613 CB ALA A 102 3.326 4.488 16.402 1.00 0.00 C ATOM 0 H ALA A 102 2.191 3.604 14.383 1.00 0.00 H new ATOM 0 HA ALA A 102 1.523 5.663 16.268 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.735 5.073 17.225 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.816 3.610 16.799 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.136 4.171 15.745 1.00 0.00 H new ATOM 1619 N GLU A 103 3.788 6.407 13.993 1.00 0.00 N ATOM 1620 CA GLU A 103 4.512 7.564 13.397 1.00 0.00 C ATOM 1621 C GLU A 103 3.504 8.522 12.762 1.00 0.00 C ATOM 1622 O GLU A 103 3.600 9.725 12.913 1.00 0.00 O ATOM 1623 CB GLU A 103 5.481 7.060 12.327 1.00 0.00 C ATOM 1624 CG GLU A 103 6.609 6.271 12.996 1.00 0.00 C ATOM 1625 CD GLU A 103 7.544 5.700 11.927 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.294 5.940 10.757 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.493 5.030 12.299 1.00 0.00 O ATOM 0 H GLU A 103 3.921 5.518 13.511 1.00 0.00 H new ATOM 0 HA GLU A 103 5.069 8.086 14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.954 6.428 11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.892 7.900 11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.167 6.918 13.673 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.193 5.463 13.598 1.00 0.00 H new ATOM 1634 N ASN A 104 2.538 7.992 12.051 1.00 0.00 N ATOM 1635 CA ASN A 104 1.507 8.853 11.395 1.00 0.00 C ATOM 1636 C ASN A 104 0.116 8.469 11.905 1.00 0.00 C ATOM 1637 O ASN A 104 -0.271 7.316 11.885 1.00 0.00 O ATOM 1638 CB ASN A 104 1.577 8.661 9.878 1.00 0.00 C ATOM 1639 CG ASN A 104 2.926 9.172 9.367 1.00 0.00 C ATOM 1640 OD1 ASN A 104 3.389 10.218 9.780 1.00 0.00 O ATOM 1641 ND2 ASN A 104 3.585 8.471 8.486 1.00 0.00 N ATOM 0 H ASN A 104 2.420 6.991 11.897 1.00 0.00 H new ATOM 0 HA ASN A 104 1.697 9.899 11.636 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.455 7.607 9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 104 0.763 9.200 9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.488 8.800 8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.197 7.594 8.139 1.00 0.00 H new