USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 69 HIS : no HE2:sc= 0.0644 K(o=0.064,f=-2.4!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= 1.12 F(o=1.3,f=2.1) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0.942 USER MOD Single : A 5 TYR OH : rot 151:sc= -5.59! USER MOD Single : A 11 THR OG1 : rot 34:sc= -1.1 USER MOD Single : A 23 ASN : amide:sc= -2.8 K(o=-2.8,f=-11!) USER MOD Single : A 26 TYR OH : rot -169:sc= 1.19 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.335 USER MOD Single : A 38 GLN : amide:sc= -1.24! C(o=-1.2!,f=-1.9!) USER MOD Single : A 41 TYR OH : rot 12:sc= -0.247 USER MOD Single : A 47 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-3.2!) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.232 F(o=-1,f=-0.23) USER MOD Single : A 54 THR OG1 : rot -46:sc= 0.89 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0452 F(o=-0.69,f=-0.045) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.879 F(o=-1.8,f=-0.88) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -1.031 -1.726 -11.422 1.00 0.00 N ATOM 56 CA PRO A 4 0.168 -1.163 -10.781 1.00 0.00 C ATOM 57 C PRO A 4 0.109 0.355 -10.656 1.00 0.00 C ATOM 58 O PRO A 4 -0.698 1.010 -11.317 1.00 0.00 O ATOM 59 CB PRO A 4 1.296 -1.566 -11.735 1.00 0.00 C ATOM 60 CG PRO A 4 0.795 -2.791 -12.416 1.00 0.00 C ATOM 61 CD PRO A 4 -0.687 -2.596 -12.563 1.00 0.00 C ATOM 0 HA PRO A 4 0.290 -1.529 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.510 -0.774 -12.452 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.221 -1.764 -11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.271 -2.921 -13.388 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.016 -3.683 -11.830 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.939 -2.129 -13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.223 -3.544 -12.522 1.00 0.00 H new ATOM 69 N TYR A 5 0.980 0.913 -9.818 1.00 0.00 N ATOM 70 CA TYR A 5 1.031 2.359 -9.628 1.00 0.00 C ATOM 71 C TYR A 5 2.455 2.822 -9.383 1.00 0.00 C ATOM 72 O TYR A 5 2.884 3.837 -9.932 1.00 0.00 O ATOM 73 CB TYR A 5 0.138 2.806 -8.468 1.00 0.00 C ATOM 74 CG TYR A 5 -1.289 3.055 -8.890 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.128 1.999 -9.200 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.789 4.347 -8.999 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.429 2.217 -9.612 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.090 4.575 -9.405 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.906 3.507 -9.711 1.00 0.00 C ATOM 80 OH TYR A 5 -5.200 3.730 -10.120 1.00 0.00 O ATOM 0 H TYR A 5 1.656 0.388 -9.263 1.00 0.00 H new ATOM 0 HA TYR A 5 0.659 2.816 -10.545 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.154 2.044 -7.689 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.547 3.717 -8.031 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.760 0.987 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.151 5.186 -8.763 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.069 1.381 -9.855 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.466 5.585 -9.482 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.530 4.562 -9.722 1.00 0.00 H new ATOM 90 N VAL A 6 3.194 2.074 -8.568 1.00 0.00 N ATOM 91 CA VAL A 6 4.572 2.430 -8.277 1.00 0.00 C ATOM 92 C VAL A 6 4.662 3.807 -7.624 1.00 0.00 C ATOM 93 O VAL A 6 4.102 4.783 -8.122 1.00 0.00 O ATOM 94 CB VAL A 6 5.411 2.428 -9.561 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.892 2.585 -9.242 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.158 1.157 -10.352 1.00 0.00 C ATOM 0 H VAL A 6 2.863 1.228 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 6 4.962 1.685 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 6 5.110 3.279 -10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.466 2.581 -10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.054 3.528 -8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.218 1.759 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.760 1.168 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.430 0.292 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.102 1.097 -10.616 1.00 0.00 H new ATOM 106 N GLY A 7 5.362 3.877 -6.501 1.00 0.00 N ATOM 107 CA GLY A 7 5.505 5.135 -5.792 1.00 0.00 C ATOM 108 C GLY A 7 5.888 4.935 -4.343 1.00 0.00 C ATOM 109 O GLY A 7 5.497 3.942 -3.731 1.00 0.00 O ATOM 0 H GLY A 7 5.835 3.084 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.263 5.744 -6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.567 5.688 -5.845 1.00 0.00 H new ATOM 113 N ILE A 8 6.643 5.873 -3.781 1.00 0.00 N ATOM 114 CA ILE A 8 7.047 5.764 -2.387 1.00 0.00 C ATOM 115 C ILE A 8 6.100 6.558 -1.508 1.00 0.00 C ATOM 116 O ILE A 8 6.233 7.767 -1.348 1.00 0.00 O ATOM 117 CB ILE A 8 8.502 6.222 -2.172 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.438 5.273 -2.936 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.839 6.266 -0.683 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.538 4.650 -2.097 1.00 0.00 C ATOM 0 H ILE A 8 6.983 6.706 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 8 6.997 4.712 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 8 8.633 7.233 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.841 4.475 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.895 5.822 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.871 6.592 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.172 6.965 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.715 5.272 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.147 3.997 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.165 5.437 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.094 4.069 -1.289 1.00 0.00 H new ATOM 132 N TRP A 9 5.136 5.852 -0.951 1.00 0.00 N ATOM 133 CA TRP A 9 4.131 6.459 -0.095 1.00 0.00 C ATOM 134 C TRP A 9 4.605 6.485 1.353 1.00 0.00 C ATOM 135 O TRP A 9 4.680 5.452 2.016 1.00 0.00 O ATOM 136 CB TRP A 9 2.811 5.695 -0.239 1.00 0.00 C ATOM 137 CG TRP A 9 2.403 5.509 -1.679 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.973 4.668 -2.597 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.347 6.190 -2.372 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.338 4.781 -3.811 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.334 5.707 -3.698 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.409 7.156 -2.001 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.423 6.160 -4.647 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.495 7.605 -2.948 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.482 7.106 -4.255 1.00 0.00 C ATOM 0 H TRP A 9 5.026 4.846 -1.077 1.00 0.00 H new ATOM 0 HA TRP A 9 3.969 7.492 -0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.907 4.719 0.237 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.025 6.232 0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.804 4.009 -2.396 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.575 4.261 -4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.389 7.545 -0.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.431 5.778 -5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.223 8.354 -2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.202 7.476 -4.969 1.00 0.00 H new ATOM 156 N VAL A 10 4.945 7.681 1.824 1.00 0.00 N ATOM 157 CA VAL A 10 5.441 7.859 3.185 1.00 0.00 C ATOM 158 C VAL A 10 4.473 8.684 4.027 1.00 0.00 C ATOM 159 O VAL A 10 3.680 9.466 3.502 1.00 0.00 O ATOM 160 CB VAL A 10 6.828 8.539 3.179 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.289 8.874 4.591 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.850 7.651 2.485 1.00 0.00 C ATOM 0 H VAL A 10 4.886 8.543 1.282 1.00 0.00 H new ATOM 0 HA VAL A 10 5.529 6.867 3.629 1.00 0.00 H new ATOM 0 HB VAL A 10 6.739 9.474 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.268 9.351 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.574 9.552 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.356 7.958 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.822 8.144 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.923 6.700 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.538 7.472 1.456 1.00 0.00 H new ATOM 172 N THR A 11 4.548 8.494 5.338 1.00 0.00 N ATOM 173 CA THR A 11 3.688 9.205 6.275 1.00 0.00 C ATOM 174 C THR A 11 3.983 10.702 6.275 1.00 0.00 C ATOM 175 O THR A 11 4.891 11.169 5.586 1.00 0.00 O ATOM 176 CB THR A 11 3.874 8.628 7.676 1.00 0.00 C ATOM 177 OG1 THR A 11 5.209 8.191 7.863 1.00 0.00 O ATOM 178 CG2 THR A 11 2.965 7.453 7.955 1.00 0.00 C ATOM 0 H THR A 11 5.202 7.847 5.779 1.00 0.00 H new ATOM 0 HA THR A 11 2.653 9.073 5.961 1.00 0.00 H new ATOM 0 HB THR A 11 3.624 9.437 8.363 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.818 8.778 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.144 7.087 8.966 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.925 7.767 7.861 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.169 6.657 7.239 1.00 0.00 H new ATOM 186 N ALA A 12 3.205 11.452 7.053 1.00 0.00 N ATOM 187 CA ALA A 12 3.376 12.901 7.142 1.00 0.00 C ATOM 188 C ALA A 12 4.563 13.273 8.028 1.00 0.00 C ATOM 189 O ALA A 12 5.086 14.383 7.942 1.00 0.00 O ATOM 190 CB ALA A 12 2.101 13.553 7.661 1.00 0.00 C ATOM 0 H ALA A 12 2.451 11.081 7.630 1.00 0.00 H new ATOM 0 HA ALA A 12 3.582 13.274 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.243 14.632 7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.277 13.333 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.869 13.161 8.651 1.00 0.00 H new ATOM 196 N ASP A 13 4.985 12.342 8.880 1.00 0.00 N ATOM 197 CA ASP A 13 6.108 12.586 9.776 1.00 0.00 C ATOM 198 C ASP A 13 7.356 11.848 9.300 1.00 0.00 C ATOM 199 O ASP A 13 8.478 12.247 9.609 1.00 0.00 O ATOM 200 CB ASP A 13 5.754 12.152 11.201 1.00 0.00 C ATOM 201 CG ASP A 13 6.036 13.237 12.222 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.226 13.514 12.479 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.067 13.809 12.765 1.00 0.00 O ATOM 0 H ASP A 13 4.567 11.416 8.967 1.00 0.00 H new ATOM 0 HA ASP A 13 6.319 13.655 9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.699 11.882 11.244 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.323 11.258 11.458 1.00 0.00 H new ATOM 208 N GLY A 14 7.152 10.771 8.548 1.00 0.00 N ATOM 209 CA GLY A 14 8.270 9.997 8.048 1.00 0.00 C ATOM 210 C GLY A 14 8.662 8.874 8.986 1.00 0.00 C ATOM 211 O GLY A 14 9.796 8.394 8.949 1.00 0.00 O ATOM 0 H GLY A 14 6.233 10.422 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.013 9.580 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.125 10.656 7.897 1.00 0.00 H new ATOM 215 N ARG A 15 7.722 8.446 9.826 1.00 0.00 N ATOM 216 CA ARG A 15 7.990 7.361 10.769 1.00 0.00 C ATOM 217 C ARG A 15 7.975 6.020 10.045 1.00 0.00 C ATOM 218 O ARG A 15 8.658 5.078 10.448 1.00 0.00 O ATOM 219 CB ARG A 15 6.992 7.344 11.943 1.00 0.00 C ATOM 220 CG ARG A 15 5.842 8.334 11.827 1.00 0.00 C ATOM 221 CD ARG A 15 4.847 7.909 10.761 1.00 0.00 C ATOM 222 NE ARG A 15 3.491 7.777 11.296 1.00 0.00 N ATOM 223 CZ ARG A 15 3.052 6.705 11.953 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.851 5.667 12.160 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.805 6.674 12.406 1.00 0.00 N ATOM 0 H ARG A 15 6.778 8.829 9.874 1.00 0.00 H new ATOM 0 HA ARG A 15 8.980 7.536 11.191 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.579 6.340 12.034 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.536 7.549 12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.334 8.417 12.788 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.234 9.322 11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.848 8.640 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.161 6.958 10.331 1.00 0.00 H new ATOM 0 HE ARG A 15 2.843 8.553 11.157 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.811 5.685 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.506 4.850 12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.186 7.470 12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.466 5.854 12.910 1.00 0.00 H new ATOM 239 N ILE A 16 7.206 5.945 8.963 1.00 0.00 N ATOM 240 CA ILE A 16 7.119 4.726 8.170 1.00 0.00 C ATOM 241 C ILE A 16 7.108 5.064 6.684 1.00 0.00 C ATOM 242 O ILE A 16 6.780 6.185 6.298 1.00 0.00 O ATOM 243 CB ILE A 16 5.875 3.867 8.532 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.729 4.075 7.533 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.401 4.169 9.944 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.822 3.170 6.325 1.00 0.00 C ATOM 0 H ILE A 16 6.634 6.715 8.616 1.00 0.00 H new ATOM 0 HA ILE A 16 8.001 4.129 8.403 1.00 0.00 H new ATOM 0 HB ILE A 16 6.180 2.822 8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.779 3.900 8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.728 5.114 7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.530 3.556 10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.199 3.945 10.651 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.133 5.223 10.020 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.983 3.367 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.757 3.361 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.793 2.129 6.647 1.00 0.00 H new ATOM 258 N ARG A 17 7.472 4.098 5.856 1.00 0.00 N ATOM 259 CA ARG A 17 7.508 4.308 4.416 1.00 0.00 C ATOM 260 C ARG A 17 6.954 3.093 3.677 1.00 0.00 C ATOM 261 O ARG A 17 7.178 1.956 4.083 1.00 0.00 O ATOM 262 CB ARG A 17 8.949 4.617 3.979 1.00 0.00 C ATOM 263 CG ARG A 17 9.377 3.966 2.670 1.00 0.00 C ATOM 264 CD ARG A 17 10.871 4.116 2.447 1.00 0.00 C ATOM 265 NE ARG A 17 11.647 3.244 3.326 1.00 0.00 N ATOM 266 CZ ARG A 17 12.970 3.117 3.265 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.670 3.803 2.369 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.597 2.302 4.102 1.00 0.00 N ATOM 0 H ARG A 17 7.746 3.162 6.155 1.00 0.00 H new ATOM 0 HA ARG A 17 6.876 5.159 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.060 5.697 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.629 4.295 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.113 2.909 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.835 4.420 1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.107 3.886 1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.161 5.153 2.618 1.00 0.00 H new ATOM 0 HE ARG A 17 11.145 2.700 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.194 4.432 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.684 3.701 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.065 1.772 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.611 2.205 4.055 1.00 0.00 H new ATOM 282 N GLN A 18 6.235 3.346 2.588 1.00 0.00 N ATOM 283 CA GLN A 18 5.655 2.275 1.790 1.00 0.00 C ATOM 284 C GLN A 18 5.988 2.468 0.317 1.00 0.00 C ATOM 285 O GLN A 18 5.513 3.408 -0.318 1.00 0.00 O ATOM 286 CB GLN A 18 4.141 2.220 1.993 1.00 0.00 C ATOM 287 CG GLN A 18 3.503 0.947 1.467 1.00 0.00 C ATOM 288 CD GLN A 18 2.065 1.152 1.029 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.126 0.689 1.846 1.00 0.00 O flip ATOM 290 NE2 GLN A 18 1.802 1.719 -0.031 1.00 0.00 N flip ATOM 0 H GLN A 18 6.041 4.285 2.239 1.00 0.00 H new ATOM 0 HA GLN A 18 6.083 1.328 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.922 2.314 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.685 3.077 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.086 0.574 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.537 0.181 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.556 2.059 -0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.830 1.849 -0.312 1.00 0.00 H new ATOM 299 N GLU A 19 6.814 1.577 -0.224 1.00 0.00 N ATOM 300 CA GLU A 19 7.212 1.667 -1.622 1.00 0.00 C ATOM 301 C GLU A 19 6.339 0.802 -2.508 1.00 0.00 C ATOM 302 O GLU A 19 6.207 -0.402 -2.289 1.00 0.00 O ATOM 303 CB GLU A 19 8.671 1.246 -1.805 1.00 0.00 C ATOM 304 CG GLU A 19 9.143 1.287 -3.249 1.00 0.00 C ATOM 305 CD GLU A 19 10.617 0.959 -3.390 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.349 1.073 -2.386 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.039 0.589 -4.506 1.00 0.00 O ATOM 0 H GLU A 19 7.218 0.789 0.283 1.00 0.00 H new ATOM 0 HA GLU A 19 7.092 2.710 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.306 1.899 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.799 0.235 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.559 0.580 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.954 2.278 -3.661 1.00 0.00 H new ATOM 314 N LEU A 20 5.789 1.416 -3.540 1.00 0.00 N ATOM 315 CA LEU A 20 4.981 0.689 -4.497 1.00 0.00 C ATOM 316 C LEU A 20 5.897 0.232 -5.620 1.00 0.00 C ATOM 317 O LEU A 20 6.502 1.041 -6.320 1.00 0.00 O ATOM 318 CB LEU A 20 3.817 1.544 -5.007 1.00 0.00 C ATOM 319 CG LEU A 20 2.678 1.756 -4.000 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.403 2.177 -4.706 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.431 0.503 -3.174 1.00 0.00 C ATOM 0 H LEU A 20 5.888 2.412 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 20 4.522 -0.180 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.205 2.518 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.408 1.077 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 20 2.983 2.555 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.611 2.321 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.575 3.110 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.106 1.402 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.619 0.685 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.161 -0.321 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.336 0.245 -2.624 1.00 0.00 H new ATOM 333 N LEU A 21 6.056 -1.075 -5.717 1.00 0.00 N ATOM 334 CA LEU A 21 6.965 -1.675 -6.677 1.00 0.00 C ATOM 335 C LEU A 21 6.542 -1.493 -8.127 1.00 0.00 C ATOM 336 O LEU A 21 5.366 -1.292 -8.431 1.00 0.00 O ATOM 337 CB LEU A 21 7.130 -3.156 -6.351 1.00 0.00 C ATOM 338 CG LEU A 21 8.409 -3.528 -5.577 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.143 -2.287 -5.066 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.071 -4.444 -4.416 1.00 0.00 C ATOM 0 H LEU A 21 5.560 -1.749 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 21 7.916 -1.151 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.267 -3.480 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.115 -3.719 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 21 9.073 -4.048 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.039 -2.591 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.424 -1.657 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.489 -1.727 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.983 -4.700 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.381 -3.937 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.606 -5.354 -4.794 1.00 0.00 H new ATOM 352 N PRO A 22 7.531 -1.574 -9.041 1.00 0.00 N ATOM 353 CA PRO A 22 7.317 -1.426 -10.484 1.00 0.00 C ATOM 354 C PRO A 22 6.425 -2.519 -11.055 1.00 0.00 C ATOM 355 O PRO A 22 5.883 -2.378 -12.151 1.00 0.00 O ATOM 356 CB PRO A 22 8.729 -1.524 -11.079 1.00 0.00 C ATOM 357 CG PRO A 22 9.651 -1.278 -9.935 1.00 0.00 C ATOM 358 CD PRO A 22 8.950 -1.825 -8.730 1.00 0.00 C ATOM 0 HA PRO A 22 6.809 -0.491 -10.719 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.903 -2.505 -11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.876 -0.787 -11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.609 -1.774 -10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.857 -0.214 -9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.153 -2.887 -8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.260 -1.319 -7.816 1.00 0.00 H new ATOM 366 N ASN A 23 6.271 -3.608 -10.310 1.00 0.00 N ATOM 367 CA ASN A 23 5.439 -4.714 -10.756 1.00 0.00 C ATOM 368 C ASN A 23 4.035 -4.609 -10.169 1.00 0.00 C ATOM 369 O ASN A 23 3.324 -5.606 -10.052 1.00 0.00 O ATOM 370 CB ASN A 23 6.078 -6.047 -10.367 1.00 0.00 C ATOM 371 CG ASN A 23 6.187 -6.229 -8.866 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.821 -5.345 -8.092 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.694 -7.383 -8.449 1.00 0.00 N ATOM 0 H ASN A 23 6.710 -3.746 -9.400 1.00 0.00 H new ATOM 0 HA ASN A 23 5.359 -4.665 -11.842 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.489 -6.863 -10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.072 -6.111 -10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.793 -7.565 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.984 -8.087 -9.127 1.00 0.00 H new ATOM 380 N GLY A 24 3.644 -3.393 -9.795 1.00 0.00 N ATOM 381 CA GLY A 24 2.330 -3.182 -9.221 1.00 0.00 C ATOM 382 C GLY A 24 2.198 -3.833 -7.866 1.00 0.00 C ATOM 383 O GLY A 24 1.281 -4.618 -7.631 1.00 0.00 O ATOM 0 H GLY A 24 4.215 -2.552 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.141 -2.112 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.571 -3.584 -9.893 1.00 0.00 H new ATOM 387 N ARG A 25 3.127 -3.512 -6.972 1.00 0.00 N ATOM 388 CA ARG A 25 3.116 -4.084 -5.630 1.00 0.00 C ATOM 389 C ARG A 25 3.531 -3.063 -4.590 1.00 0.00 C ATOM 390 O ARG A 25 3.796 -1.909 -4.918 1.00 0.00 O ATOM 391 CB ARG A 25 4.024 -5.305 -5.573 1.00 0.00 C ATOM 392 CG ARG A 25 3.666 -6.334 -6.620 1.00 0.00 C ATOM 393 CD ARG A 25 2.313 -6.968 -6.326 1.00 0.00 C ATOM 394 NE ARG A 25 1.820 -7.756 -7.452 1.00 0.00 N ATOM 395 CZ ARG A 25 2.284 -8.960 -7.775 1.00 0.00 C ATOM 396 NH1 ARG A 25 3.252 -9.521 -7.058 1.00 0.00 N ATOM 397 NH2 ARG A 25 1.780 -9.609 -8.817 1.00 0.00 N ATOM 0 H ARG A 25 3.893 -2.863 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 25 2.095 -4.391 -5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.059 -4.992 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.958 -5.758 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.645 -5.864 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.434 -7.107 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.396 -7.606 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.591 -6.187 -6.087 1.00 0.00 H new ATOM 0 HE ARG A 25 1.075 -7.360 -8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.643 -9.028 -6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.604 -10.445 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.036 -9.185 -9.371 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.137 -10.532 -9.064 1.00 0.00 H new ATOM 411 N TYR A 26 3.556 -3.481 -3.327 1.00 0.00 N ATOM 412 CA TYR A 26 3.906 -2.574 -2.245 1.00 0.00 C ATOM 413 C TYR A 26 4.844 -3.213 -1.226 1.00 0.00 C ATOM 414 O TYR A 26 4.800 -4.417 -0.983 1.00 0.00 O ATOM 415 CB TYR A 26 2.622 -2.073 -1.577 1.00 0.00 C ATOM 416 CG TYR A 26 2.197 -2.846 -0.355 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.904 -2.749 0.831 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.078 -3.662 -0.391 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.510 -3.449 1.955 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.674 -4.367 0.724 1.00 0.00 C ATOM 421 CZ TYR A 26 1.394 -4.258 1.897 1.00 0.00 C ATOM 422 OH TYR A 26 0.995 -4.958 3.012 1.00 0.00 O ATOM 0 H TYR A 26 3.340 -4.433 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 26 4.452 -1.732 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.759 -1.028 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.814 -2.105 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.778 -2.116 0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.513 -3.748 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.072 -3.363 2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.200 -5.000 0.680 1.00 0.00 H new ATOM 0 HH TYR A 26 0.303 -5.605 2.762 1.00 0.00 H new ATOM 432 N ASP A 27 5.680 -2.370 -0.627 1.00 0.00 N ATOM 433 CA ASP A 27 6.636 -2.795 0.389 1.00 0.00 C ATOM 434 C ASP A 27 6.833 -1.671 1.400 1.00 0.00 C ATOM 435 O ASP A 27 7.388 -0.625 1.068 1.00 0.00 O ATOM 436 CB ASP A 27 7.974 -3.155 -0.259 1.00 0.00 C ATOM 437 CG ASP A 27 8.269 -4.640 -0.196 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.748 -5.385 -1.052 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.020 -5.059 0.708 1.00 0.00 O ATOM 0 H ASP A 27 5.713 -1.372 -0.833 1.00 0.00 H new ATOM 0 HA ASP A 27 6.248 -3.678 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.968 -2.833 -1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.774 -2.608 0.239 1.00 0.00 H new ATOM 444 N GLU A 28 6.356 -1.873 2.624 1.00 0.00 N ATOM 445 CA GLU A 28 6.470 -0.845 3.647 1.00 0.00 C ATOM 446 C GLU A 28 7.570 -1.154 4.657 1.00 0.00 C ATOM 447 O GLU A 28 7.674 -2.268 5.171 1.00 0.00 O ATOM 448 CB GLU A 28 5.116 -0.640 4.348 1.00 0.00 C ATOM 449 CG GLU A 28 5.209 -0.308 5.831 1.00 0.00 C ATOM 450 CD GLU A 28 3.857 -0.326 6.518 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.051 0.594 6.266 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.605 -1.260 7.308 1.00 0.00 O ATOM 0 H GLU A 28 5.892 -2.729 2.927 1.00 0.00 H new ATOM 0 HA GLU A 28 6.754 0.083 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.579 0.163 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.520 -1.545 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.870 -1.024 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.661 0.677 5.952 1.00 0.00 H new ATOM 459 N ALA A 29 8.370 -0.134 4.948 1.00 0.00 N ATOM 460 CA ALA A 29 9.454 -0.243 5.909 1.00 0.00 C ATOM 461 C ALA A 29 9.217 0.721 7.065 1.00 0.00 C ATOM 462 O ALA A 29 9.385 1.931 6.921 1.00 0.00 O ATOM 463 CB ALA A 29 10.787 0.051 5.236 1.00 0.00 C ATOM 0 H ALA A 29 8.283 0.789 4.523 1.00 0.00 H new ATOM 0 HA ALA A 29 9.483 -1.261 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.591 -0.034 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.953 -0.664 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.774 1.062 4.828 1.00 0.00 H new ATOM 469 N ARG A 30 8.807 0.180 8.205 1.00 0.00 N ATOM 470 CA ARG A 30 8.526 0.998 9.381 1.00 0.00 C ATOM 471 C ARG A 30 9.683 0.966 10.373 1.00 0.00 C ATOM 472 O ARG A 30 9.914 -0.041 11.044 1.00 0.00 O ATOM 473 CB ARG A 30 7.240 0.518 10.051 1.00 0.00 C ATOM 474 CG ARG A 30 6.108 0.266 9.068 1.00 0.00 C ATOM 475 CD ARG A 30 4.750 0.516 9.698 1.00 0.00 C ATOM 476 NE ARG A 30 4.655 -0.043 11.045 1.00 0.00 N ATOM 477 CZ ARG A 30 3.627 0.165 11.863 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.603 0.916 11.478 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.620 -0.382 13.071 1.00 0.00 N ATOM 0 H ARG A 30 8.661 -0.820 8.342 1.00 0.00 H new ATOM 0 HA ARG A 30 8.400 2.030 9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.446 -0.400 10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.919 1.261 10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.230 0.912 8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.159 -0.762 8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.562 1.589 9.738 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.974 0.079 9.070 1.00 0.00 H new ATOM 0 HE ARG A 30 5.422 -0.627 11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.601 1.338 10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.818 1.071 12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.403 -0.962 13.373 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.832 -0.223 13.698 1.00 0.00 H new ATOM 571 N ALA A 36 8.210 -4.874 6.913 1.00 0.00 N ATOM 572 CA ALA A 36 7.200 -5.314 7.865 1.00 0.00 C ATOM 573 C ALA A 36 6.061 -6.043 7.160 1.00 0.00 C ATOM 574 O ALA A 36 5.636 -7.115 7.590 1.00 0.00 O ATOM 575 CB ALA A 36 6.663 -4.122 8.642 1.00 0.00 C ATOM 0 HA ALA A 36 7.667 -6.012 8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.908 -4.460 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.479 -3.642 9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.216 -3.408 7.950 1.00 0.00 H new ATOM 581 N TYR A 37 5.573 -5.450 6.078 1.00 0.00 N ATOM 582 CA TYR A 37 4.482 -6.034 5.312 1.00 0.00 C ATOM 583 C TYR A 37 4.559 -5.639 3.840 1.00 0.00 C ATOM 584 O TYR A 37 4.897 -4.504 3.503 1.00 0.00 O ATOM 585 CB TYR A 37 3.137 -5.600 5.895 1.00 0.00 C ATOM 586 CG TYR A 37 2.319 -6.753 6.421 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.648 -7.365 7.618 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.223 -7.230 5.715 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.908 -8.427 8.104 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.475 -8.292 6.192 1.00 0.00 C ATOM 591 CZ TYR A 37 0.823 -8.886 7.387 1.00 0.00 C ATOM 592 OH TYR A 37 0.083 -9.943 7.866 1.00 0.00 O ATOM 0 H TYR A 37 5.917 -4.563 5.711 1.00 0.00 H new ATOM 0 HA TYR A 37 4.574 -7.118 5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.311 -4.888 6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.566 -5.078 5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.497 -7.007 8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.950 -6.765 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.178 -8.894 9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.375 -8.653 5.632 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.729 -9.605 8.299 1.00 0.00 H new ATOM 602 N GLN A 38 4.227 -6.588 2.972 1.00 0.00 N ATOM 603 CA GLN A 38 4.237 -6.362 1.529 1.00 0.00 C ATOM 604 C GLN A 38 3.223 -7.276 0.859 1.00 0.00 C ATOM 605 O GLN A 38 2.953 -8.374 1.343 1.00 0.00 O ATOM 606 CB GLN A 38 5.629 -6.607 0.933 1.00 0.00 C ATOM 607 CG GLN A 38 6.729 -6.814 1.965 1.00 0.00 C ATOM 608 CD GLN A 38 6.587 -8.123 2.718 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.177 -9.136 2.152 1.00 0.00 O ATOM 610 NE2 GLN A 38 6.924 -8.108 4.001 1.00 0.00 N ATOM 0 H GLN A 38 3.945 -7.530 3.245 1.00 0.00 H new ATOM 0 HA GLN A 38 3.971 -5.321 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.585 -7.484 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.895 -5.759 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.698 -6.790 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.715 -5.988 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.259 -7.246 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.848 -8.959 4.558 1.00 0.00 H new ATOM 619 N GLY A 39 2.660 -6.826 -0.256 1.00 0.00 N ATOM 620 CA GLY A 39 1.682 -7.642 -0.951 1.00 0.00 C ATOM 621 C GLY A 39 1.314 -7.094 -2.312 1.00 0.00 C ATOM 622 O GLY A 39 2.171 -6.938 -3.182 1.00 0.00 O ATOM 0 H GLY A 39 2.859 -5.923 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.076 -8.652 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.782 -7.719 -0.341 1.00 0.00 H new ATOM 626 N ARG A 40 0.032 -6.804 -2.495 1.00 0.00 N ATOM 627 CA ARG A 40 -0.457 -6.273 -3.755 1.00 0.00 C ATOM 628 C ARG A 40 -1.720 -5.468 -3.511 1.00 0.00 C ATOM 629 O ARG A 40 -2.333 -5.574 -2.449 1.00 0.00 O ATOM 630 CB ARG A 40 -0.730 -7.408 -4.744 1.00 0.00 C ATOM 631 CG ARG A 40 -1.918 -8.278 -4.366 1.00 0.00 C ATOM 632 CD ARG A 40 -1.516 -9.735 -4.199 1.00 0.00 C ATOM 633 NE ARG A 40 -1.730 -10.508 -5.421 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.349 -11.774 -5.574 1.00 0.00 C ATOM 635 NH1 ARG A 40 -0.733 -12.413 -4.588 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.585 -12.402 -6.718 1.00 0.00 N ATOM 0 H ARG A 40 -0.687 -6.929 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 40 0.303 -5.622 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.903 -6.982 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.159 -8.035 -4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.356 -7.912 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.687 -8.198 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.465 -9.790 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.090 -10.178 -3.385 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.199 -10.050 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.549 -11.934 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.444 -13.383 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.058 -11.915 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.294 -13.372 -6.837 1.00 0.00 H new ATOM 650 N TYR A 41 -2.107 -4.658 -4.481 1.00 0.00 N ATOM 651 CA TYR A 41 -3.298 -3.842 -4.329 1.00 0.00 C ATOM 652 C TYR A 41 -4.135 -3.804 -5.595 1.00 0.00 C ATOM 653 O TYR A 41 -3.632 -3.985 -6.704 1.00 0.00 O ATOM 654 CB TYR A 41 -2.920 -2.417 -3.937 1.00 0.00 C ATOM 655 CG TYR A 41 -1.691 -1.901 -4.643 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.432 -2.086 -4.097 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.791 -1.227 -5.857 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.696 -1.617 -4.736 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.666 -0.755 -6.501 1.00 0.00 C ATOM 660 CZ TYR A 41 0.576 -0.952 -5.938 1.00 0.00 C ATOM 661 OH TYR A 41 1.700 -0.484 -6.577 1.00 0.00 O ATOM 0 H TYR A 41 -1.621 -4.548 -5.371 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.895 -4.301 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.758 -1.755 -4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.754 -2.377 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.332 -2.606 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.763 -1.071 -6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.671 -1.770 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.758 -0.233 -7.442 1.00 0.00 H new ATOM 0 HH TYR A 41 2.498 -0.865 -6.155 1.00 0.00 H new ATOM 671 N GLU A 42 -5.415 -3.531 -5.405 1.00 0.00 N ATOM 672 CA GLU A 42 -6.355 -3.419 -6.509 1.00 0.00 C ATOM 673 C GLU A 42 -6.964 -2.026 -6.496 1.00 0.00 C ATOM 674 O GLU A 42 -7.461 -1.574 -5.469 1.00 0.00 O ATOM 675 CB GLU A 42 -7.452 -4.482 -6.395 1.00 0.00 C ATOM 676 CG GLU A 42 -7.703 -5.237 -7.689 1.00 0.00 C ATOM 677 CD GLU A 42 -8.997 -4.825 -8.364 1.00 0.00 C ATOM 678 OE1 GLU A 42 -10.076 -5.070 -7.779 1.00 0.00 O ATOM 679 OE2 GLU A 42 -8.934 -4.257 -9.474 1.00 0.00 O ATOM 0 H GLU A 42 -5.831 -3.381 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.829 -3.581 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.177 -5.194 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.379 -4.004 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.871 -5.066 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.731 -6.307 -7.482 1.00 0.00 H new ATOM 686 N VAL A 43 -6.903 -1.335 -7.626 1.00 0.00 N ATOM 687 CA VAL A 43 -7.428 0.023 -7.709 1.00 0.00 C ATOM 688 C VAL A 43 -8.751 0.081 -8.465 1.00 0.00 C ATOM 689 O VAL A 43 -8.884 -0.463 -9.561 1.00 0.00 O ATOM 690 CB VAL A 43 -6.403 0.965 -8.375 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.995 2.349 -8.603 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.141 1.050 -7.526 1.00 0.00 C ATOM 0 H VAL A 43 -6.498 -1.688 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.612 0.355 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.142 0.553 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.250 2.991 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.867 2.269 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.293 2.779 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.424 1.717 -8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.392 1.436 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.702 0.057 -7.426 1.00 0.00 H new ATOM 702 N ARG A 44 -9.727 0.754 -7.861 1.00 0.00 N ATOM 703 CA ARG A 44 -11.048 0.904 -8.459 1.00 0.00 C ATOM 704 C ARG A 44 -11.602 2.303 -8.204 1.00 0.00 C ATOM 705 O ARG A 44 -12.165 2.572 -7.143 1.00 0.00 O ATOM 706 CB ARG A 44 -12.007 -0.142 -7.892 1.00 0.00 C ATOM 707 CG ARG A 44 -13.064 -0.604 -8.883 1.00 0.00 C ATOM 708 CD ARG A 44 -14.432 -0.026 -8.556 1.00 0.00 C ATOM 709 NE ARG A 44 -15.386 -1.064 -8.173 1.00 0.00 N ATOM 710 CZ ARG A 44 -16.520 -0.824 -7.517 1.00 0.00 C ATOM 711 NH1 ARG A 44 -16.844 0.415 -7.170 1.00 0.00 N ATOM 712 NH2 ARG A 44 -17.331 -1.826 -7.209 1.00 0.00 N ATOM 0 H ARG A 44 -9.625 1.206 -6.952 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.952 0.757 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.432 -1.006 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.502 0.270 -7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.774 -0.305 -9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.118 -1.693 -8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.336 0.696 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.813 0.516 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.171 -2.029 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.223 1.189 -7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.714 0.593 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.086 -2.780 -7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.200 -1.643 -6.707 1.00 0.00 H new ATOM 726 N GLY A 45 -11.439 3.192 -9.180 1.00 0.00 N ATOM 727 CA GLY A 45 -11.929 4.552 -9.030 1.00 0.00 C ATOM 728 C GLY A 45 -11.288 5.270 -7.858 1.00 0.00 C ATOM 729 O GLY A 45 -11.970 5.943 -7.087 1.00 0.00 O ATOM 0 H GLY A 45 -10.978 2.997 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.733 5.109 -9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.010 4.533 -8.894 1.00 0.00 H new ATOM 733 N ALA A 46 -9.970 5.116 -7.723 1.00 0.00 N ATOM 734 CA ALA A 46 -9.214 5.741 -6.636 1.00 0.00 C ATOM 735 C ALA A 46 -9.303 4.924 -5.348 1.00 0.00 C ATOM 736 O ALA A 46 -8.605 5.214 -4.374 1.00 0.00 O ATOM 737 CB ALA A 46 -9.678 7.170 -6.393 1.00 0.00 C ATOM 0 H ALA A 46 -9.400 4.559 -8.359 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.169 5.768 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.098 7.608 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.534 7.758 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.735 7.169 -6.125 1.00 0.00 H new ATOM 743 N HIS A 47 -10.145 3.892 -5.345 1.00 0.00 N ATOM 744 CA HIS A 47 -10.291 3.034 -4.177 1.00 0.00 C ATOM 745 C HIS A 47 -9.366 1.835 -4.313 1.00 0.00 C ATOM 746 O HIS A 47 -9.409 1.122 -5.317 1.00 0.00 O ATOM 747 CB HIS A 47 -11.743 2.570 -4.032 1.00 0.00 C ATOM 748 CG HIS A 47 -12.455 3.184 -2.868 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.482 4.544 -2.634 1.00 0.00 N ATOM 750 CD2 HIS A 47 -13.172 2.620 -1.867 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.182 4.788 -1.541 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.612 3.637 -1.057 1.00 0.00 N ATOM 0 H HIS A 47 -10.733 3.633 -6.137 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.022 3.598 -3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.285 2.810 -4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.760 1.485 -3.927 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.362 1.566 -1.731 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.371 5.763 -1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.179 3.522 -0.217 1.00 0.00 H new ATOM 761 N ILE A 48 -8.513 1.620 -3.319 1.00 0.00 N ATOM 762 CA ILE A 48 -7.571 0.510 -3.377 1.00 0.00 C ATOM 763 C ILE A 48 -7.514 -0.263 -2.068 1.00 0.00 C ATOM 764 O ILE A 48 -7.670 0.302 -0.988 1.00 0.00 O ATOM 765 CB ILE A 48 -6.146 0.994 -3.767 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.048 0.099 -3.159 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.940 2.450 -3.360 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.585 0.524 -1.776 1.00 0.00 C ATOM 0 H ILE A 48 -8.454 2.190 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.938 -0.164 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.064 0.920 -4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.419 -0.925 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.189 0.092 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.936 2.768 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.675 3.077 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.061 2.547 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.813 -0.160 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.180 1.535 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.429 0.502 -1.087 1.00 0.00 H new ATOM 780 N ASN A 49 -7.259 -1.559 -2.187 1.00 0.00 N ATOM 781 CA ASN A 49 -7.143 -2.433 -1.033 1.00 0.00 C ATOM 782 C ASN A 49 -5.906 -3.315 -1.172 1.00 0.00 C ATOM 783 O ASN A 49 -5.556 -3.739 -2.271 1.00 0.00 O ATOM 784 CB ASN A 49 -8.394 -3.304 -0.870 1.00 0.00 C ATOM 785 CG ASN A 49 -9.572 -2.814 -1.694 1.00 0.00 C ATOM 786 OD1 ASN A 49 -9.452 -2.907 -3.012 1.00 0.00 O flip ATOM 787 ND2 ASN A 49 -10.577 -2.358 -1.150 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.128 -2.030 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.046 -1.811 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.157 -4.328 -1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.679 -3.328 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.627 -2.305 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.361 -2.033 -1.716 1.00 0.00 H new ATOM 794 N TYR A 50 -5.252 -3.584 -0.051 1.00 0.00 N ATOM 795 CA TYR A 50 -4.055 -4.411 -0.033 1.00 0.00 C ATOM 796 C TYR A 50 -4.404 -5.825 0.391 1.00 0.00 C ATOM 797 O TYR A 50 -4.814 -6.046 1.525 1.00 0.00 O ATOM 798 CB TYR A 50 -3.040 -3.835 0.958 1.00 0.00 C ATOM 799 CG TYR A 50 -2.442 -2.505 0.550 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.730 -2.371 -0.633 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.587 -1.383 1.359 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.181 -1.156 -1.001 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.041 -0.167 0.996 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.341 -0.058 -0.184 1.00 0.00 C ATOM 805 OH TYR A 50 -0.795 1.152 -0.548 1.00 0.00 O ATOM 0 H TYR A 50 -5.534 -3.237 0.866 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.628 -4.425 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.525 -3.718 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.233 -4.555 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.602 -3.229 -1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.135 -1.464 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.629 -1.068 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.163 0.695 1.636 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.000 1.822 0.137 1.00 0.00 H new ATOM 815 N TRP A 51 -4.230 -6.781 -0.508 1.00 0.00 N ATOM 816 CA TRP A 51 -4.523 -8.170 -0.185 1.00 0.00 C ATOM 817 C TRP A 51 -3.225 -8.961 -0.077 1.00 0.00 C ATOM 818 O TRP A 51 -2.728 -9.501 -1.064 1.00 0.00 O ATOM 819 CB TRP A 51 -5.449 -8.788 -1.238 1.00 0.00 C ATOM 820 CG TRP A 51 -5.639 -10.267 -1.076 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.305 -10.902 -0.067 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.156 -11.294 -1.949 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.267 -12.261 -0.260 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.567 -12.528 -1.408 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.418 -11.292 -3.136 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.264 -13.745 -2.014 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.119 -12.501 -3.736 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.541 -13.712 -3.174 1.00 0.00 C ATOM 0 H TRP A 51 -3.891 -6.624 -1.457 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.037 -8.206 0.775 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.421 -8.298 -1.188 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.042 -8.589 -2.229 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.791 -10.408 0.761 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.691 -12.959 0.352 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.087 -10.363 -3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.588 -14.681 -1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.550 -12.512 -4.654 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.290 -14.640 -3.667 1.00 0.00 H new ATOM 839 N ASP A 52 -2.674 -9.006 1.130 1.00 0.00 N ATOM 840 CA ASP A 52 -1.420 -9.712 1.372 1.00 0.00 C ATOM 841 C ASP A 52 -1.575 -11.214 1.186 1.00 0.00 C ATOM 842 O ASP A 52 -2.677 -11.755 1.266 1.00 0.00 O ATOM 843 CB ASP A 52 -0.902 -9.427 2.781 1.00 0.00 C ATOM 844 CG ASP A 52 -0.134 -8.122 2.861 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.761 -7.053 2.706 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.096 -8.169 3.073 1.00 0.00 O ATOM 0 H ASP A 52 -3.075 -8.563 1.956 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.701 -9.346 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.742 -9.394 3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.257 -10.245 3.101 1.00 0.00 H new ATOM 851 N ASP A 53 -0.451 -11.879 0.949 1.00 0.00 N ATOM 852 CA ASP A 53 -0.439 -13.324 0.760 1.00 0.00 C ATOM 853 C ASP A 53 -0.368 -14.051 2.103 1.00 0.00 C ATOM 854 O ASP A 53 -0.575 -15.262 2.170 1.00 0.00 O ATOM 855 CB ASP A 53 0.745 -13.733 -0.119 1.00 0.00 C ATOM 856 CG ASP A 53 0.379 -13.794 -1.589 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.626 -14.456 -1.924 1.00 0.00 O ATOM 858 OD2 ASP A 53 1.097 -13.179 -2.406 1.00 0.00 O ATOM 0 H ASP A 53 0.467 -11.439 0.883 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.367 -13.608 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.560 -13.023 0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.113 -14.708 0.202 1.00 0.00 H new ATOM 863 N THR A 54 -0.068 -13.311 3.172 1.00 0.00 N ATOM 864 CA THR A 54 0.031 -13.903 4.502 1.00 0.00 C ATOM 865 C THR A 54 -1.301 -13.852 5.246 1.00 0.00 C ATOM 866 O THR A 54 -1.340 -13.887 6.475 1.00 0.00 O ATOM 867 CB THR A 54 1.121 -13.206 5.322 1.00 0.00 C ATOM 868 OG1 THR A 54 1.322 -13.871 6.556 1.00 0.00 O ATOM 869 CG2 THR A 54 0.808 -11.758 5.628 1.00 0.00 C ATOM 0 H THR A 54 0.109 -12.307 3.141 1.00 0.00 H new ATOM 0 HA THR A 54 0.299 -14.951 4.372 1.00 0.00 H new ATOM 0 HB THR A 54 2.016 -13.244 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.455 -14.059 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.621 -11.325 6.211 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.696 -11.205 4.695 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.119 -11.699 6.198 1.00 0.00 H new ATOM 877 N GLY A 55 -2.389 -13.801 4.489 1.00 0.00 N ATOM 878 CA GLY A 55 -3.714 -13.784 5.083 1.00 0.00 C ATOM 879 C GLY A 55 -4.134 -12.436 5.647 1.00 0.00 C ATOM 880 O GLY A 55 -4.971 -12.382 6.547 1.00 0.00 O ATOM 0 H GLY A 55 -2.378 -13.771 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.440 -14.091 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.750 -14.525 5.881 1.00 0.00 H new ATOM 884 N PHE A 56 -3.583 -11.343 5.123 1.00 0.00 N ATOM 885 CA PHE A 56 -3.950 -10.021 5.597 1.00 0.00 C ATOM 886 C PHE A 56 -4.556 -9.215 4.463 1.00 0.00 C ATOM 887 O PHE A 56 -4.393 -9.546 3.289 1.00 0.00 O ATOM 888 CB PHE A 56 -2.724 -9.296 6.182 1.00 0.00 C ATOM 889 CG PHE A 56 -2.697 -7.801 5.957 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.636 -7.273 4.673 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.742 -6.927 7.030 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.624 -5.903 4.467 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.728 -5.558 6.833 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.670 -5.047 5.550 1.00 0.00 C ATOM 0 H PHE A 56 -2.887 -11.351 4.377 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.692 -10.125 6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.685 -9.487 7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.823 -9.730 5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.597 -7.940 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.789 -7.320 8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.579 -5.506 3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.762 -4.889 7.680 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.661 -3.978 5.394 1.00 0.00 H new ATOM 904 N THR A 57 -5.224 -8.132 4.823 1.00 0.00 N ATOM 905 CA THR A 57 -5.819 -7.248 3.835 1.00 0.00 C ATOM 906 C THR A 57 -6.109 -5.880 4.434 1.00 0.00 C ATOM 907 O THR A 57 -6.504 -5.767 5.595 1.00 0.00 O ATOM 908 CB THR A 57 -7.091 -7.843 3.219 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.237 -7.097 3.593 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.352 -9.291 3.592 1.00 0.00 C ATOM 0 H THR A 57 -5.368 -7.844 5.791 1.00 0.00 H new ATOM 0 HA THR A 57 -5.090 -7.132 3.033 1.00 0.00 H new ATOM 0 HB THR A 57 -6.913 -7.796 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.034 -7.496 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.271 -9.630 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.519 -9.909 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.454 -9.375 4.674 1.00 0.00 H new ATOM 918 N ALA A 58 -5.907 -4.842 3.632 1.00 0.00 N ATOM 919 CA ALA A 58 -6.147 -3.472 4.088 1.00 0.00 C ATOM 920 C ALA A 58 -6.739 -2.607 2.980 1.00 0.00 C ATOM 921 O ALA A 58 -6.146 -2.452 1.919 1.00 0.00 O ATOM 922 CB ALA A 58 -4.855 -2.857 4.602 1.00 0.00 C ATOM 0 H ALA A 58 -5.580 -4.918 2.669 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.873 -3.513 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.046 -1.838 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.476 -3.449 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.115 -2.842 3.801 1.00 0.00 H new ATOM 928 N ASP A 59 -7.916 -2.044 3.235 1.00 0.00 N ATOM 929 CA ASP A 59 -8.583 -1.199 2.249 1.00 0.00 C ATOM 930 C ASP A 59 -8.169 0.264 2.391 1.00 0.00 C ATOM 931 O ASP A 59 -7.742 0.702 3.458 1.00 0.00 O ATOM 932 CB ASP A 59 -10.102 -1.326 2.386 1.00 0.00 C ATOM 933 CG ASP A 59 -10.573 -1.107 3.810 1.00 0.00 C ATOM 934 OD1 ASP A 59 -9.824 -0.491 4.595 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.692 -1.554 4.139 1.00 0.00 O ATOM 0 H ASP A 59 -8.426 -2.156 4.111 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.278 -1.541 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.585 -0.601 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.413 -2.316 2.051 1.00 0.00 H new ATOM 940 N GLY A 60 -8.305 1.011 1.299 1.00 0.00 N ATOM 941 CA GLY A 60 -7.949 2.418 1.300 1.00 0.00 C ATOM 942 C GLY A 60 -8.543 3.156 0.115 1.00 0.00 C ATOM 943 O GLY A 60 -9.357 2.599 -0.621 1.00 0.00 O ATOM 0 H GLY A 60 -8.658 0.663 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.296 2.879 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.864 2.517 1.282 1.00 0.00 H new ATOM 947 N ASP A 61 -8.141 4.410 -0.075 1.00 0.00 N ATOM 948 CA ASP A 61 -8.651 5.208 -1.184 1.00 0.00 C ATOM 949 C ASP A 61 -7.840 6.487 -1.363 1.00 0.00 C ATOM 950 O ASP A 61 -7.556 7.196 -0.397 1.00 0.00 O ATOM 951 CB ASP A 61 -10.122 5.554 -0.956 1.00 0.00 C ATOM 952 CG ASP A 61 -10.380 6.100 0.436 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.158 5.356 1.414 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.800 7.271 0.546 1.00 0.00 O ATOM 0 H ASP A 61 -7.468 4.892 0.521 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.558 4.614 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.438 6.289 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.730 4.663 -1.112 1.00 0.00 H new ATOM 959 N PHE A 62 -7.478 6.782 -2.607 1.00 0.00 N ATOM 960 CA PHE A 62 -6.710 7.980 -2.918 1.00 0.00 C ATOM 961 C PHE A 62 -7.586 9.221 -2.814 1.00 0.00 C ATOM 962 O PHE A 62 -8.477 9.439 -3.634 1.00 0.00 O ATOM 963 CB PHE A 62 -6.114 7.900 -4.326 1.00 0.00 C ATOM 964 CG PHE A 62 -5.320 6.651 -4.612 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.803 5.871 -3.585 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.083 6.265 -5.922 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.070 4.732 -3.865 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.350 5.128 -6.204 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.844 4.361 -5.174 1.00 0.00 C ATOM 0 H PHE A 62 -7.705 6.206 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.899 8.048 -2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.924 7.971 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.470 8.765 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.975 6.157 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.476 6.860 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.674 4.133 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.173 4.840 -7.230 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.272 3.472 -5.393 1.00 0.00 H new ATOM 979 N VAL A 63 -7.318 10.031 -1.803 1.00 0.00 N ATOM 980 CA VAL A 63 -8.073 11.259 -1.586 1.00 0.00 C ATOM 981 C VAL A 63 -7.550 12.392 -2.466 1.00 0.00 C ATOM 982 O VAL A 63 -8.245 13.383 -2.692 1.00 0.00 O ATOM 983 CB VAL A 63 -8.024 11.709 -0.114 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.981 10.880 0.730 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.605 11.624 0.430 1.00 0.00 C ATOM 0 H VAL A 63 -6.582 9.862 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.106 11.037 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.341 12.751 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.933 11.212 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.997 11.005 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.700 9.829 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.595 11.947 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.252 10.595 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.951 12.270 -0.156 1.00 0.00 H new ATOM 995 N SER A 64 -6.325 12.242 -2.960 1.00 0.00 N ATOM 996 CA SER A 64 -5.718 13.256 -3.813 1.00 0.00 C ATOM 997 C SER A 64 -4.792 12.617 -4.842 1.00 0.00 C ATOM 998 O SER A 64 -4.789 11.398 -5.017 1.00 0.00 O ATOM 999 CB SER A 64 -4.940 14.267 -2.966 1.00 0.00 C ATOM 1000 OG SER A 64 -5.211 15.595 -3.380 1.00 0.00 O ATOM 0 H SER A 64 -5.734 11.429 -2.784 1.00 0.00 H new ATOM 0 HA SER A 64 -6.517 13.775 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.207 14.148 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.871 14.068 -3.047 1.00 0.00 H new ATOM 0 HG SER A 64 -4.704 16.221 -2.823 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.008 13.446 -5.522 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.080 12.960 -6.534 1.00 0.00 C ATOM 1008 C ALA A 65 -1.771 12.493 -5.903 1.00 0.00 C ATOM 1009 O ALA A 65 -1.086 11.625 -6.445 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.811 14.046 -7.566 1.00 0.00 C ATOM 0 H ALA A 65 -3.997 14.457 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.538 12.105 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.116 13.670 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.747 14.330 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.377 14.916 -7.074 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.426 13.073 -4.757 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.197 12.715 -4.058 1.00 0.00 C ATOM 1018 C ASN A 66 -0.478 12.248 -2.629 1.00 0.00 C ATOM 1019 O ASN A 66 0.449 11.940 -1.880 1.00 0.00 O ATOM 1020 CB ASN A 66 0.765 13.907 -4.036 1.00 0.00 C ATOM 1021 CG ASN A 66 1.859 13.805 -5.089 1.00 0.00 C ATOM 1022 OD1 ASN A 66 1.556 13.167 -6.219 1.00 0.00 O flip ATOM 1023 ND2 ASN A 66 2.970 14.296 -4.888 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.980 13.793 -4.293 1.00 0.00 H new ATOM 0 HA ASN A 66 0.262 11.887 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.200 14.826 -4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.223 13.980 -3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.164 14.777 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.697 14.222 -5.600 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.755 12.194 -2.253 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.130 11.762 -0.912 1.00 0.00 C ATOM 1032 C GLU A 67 -2.790 10.386 -0.951 1.00 0.00 C ATOM 1033 O GLU A 67 -3.429 10.021 -1.938 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.075 12.778 -0.268 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.868 12.935 1.231 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.126 14.350 1.710 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.549 15.290 1.124 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.909 14.519 2.669 1.00 0.00 O ATOM 0 H GLU A 67 -2.540 12.442 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.223 11.694 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.937 13.746 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.105 12.473 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.531 12.250 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.847 12.650 1.485 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.622 9.623 0.124 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.190 8.284 0.207 1.00 0.00 C ATOM 1047 C LEU A 68 -3.888 8.075 1.543 1.00 0.00 C ATOM 1048 O LEU A 68 -3.423 8.549 2.579 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.071 7.249 0.000 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.312 5.820 0.521 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.538 5.777 2.023 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.472 5.177 -0.215 1.00 0.00 C ATOM 0 H LEU A 68 -2.097 9.910 0.950 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.940 8.160 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.866 7.186 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.168 7.632 0.476 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.404 5.250 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.703 4.746 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.662 6.176 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.412 6.378 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.629 4.168 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.374 5.768 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.247 5.133 -1.281 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.993 7.344 1.513 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.739 7.045 2.727 1.00 0.00 C ATOM 1066 C HIS A 69 -5.945 5.544 2.862 1.00 0.00 C ATOM 1067 O HIS A 69 -6.734 4.945 2.132 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.089 7.757 2.730 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.051 9.105 3.382 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.900 9.855 3.496 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -8.034 9.837 3.960 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -6.174 10.989 4.116 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.463 11.003 4.407 1.00 0.00 N ATOM 0 H HIS A 69 -5.393 6.947 0.662 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.159 7.405 3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.434 7.869 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.819 7.133 3.246 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.980 9.578 3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.073 9.556 4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.466 11.771 4.346 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.231 4.945 3.802 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.330 3.511 4.038 1.00 0.00 C ATOM 1084 C HIS A 70 -5.007 3.193 5.493 1.00 0.00 C ATOM 1085 O HIS A 70 -4.077 3.757 6.070 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.400 2.749 3.079 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.198 2.133 3.729 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.909 0.839 4.008 1.00 0.00 N flip ATOM 1089 CD2 HIS A 70 -2.117 2.869 4.169 1.00 0.00 C flip ATOM 1090 CE1 HIS A 70 -1.671 0.818 4.602 1.00 0.00 C flip ATOM 1091 NE2 HIS A 70 -1.214 2.053 4.688 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.575 5.429 4.415 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.352 3.187 3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.973 1.963 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.064 3.433 2.300 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.023 3.943 4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.155 -0.067 4.944 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.317 2.331 5.087 1.00 0.00 H new ATOM 1100 N GLY A 71 -5.793 2.305 6.089 1.00 0.00 N ATOM 1101 CA GLY A 71 -5.580 1.952 7.477 1.00 0.00 C ATOM 1102 C GLY A 71 -5.845 3.125 8.403 1.00 0.00 C ATOM 1103 O GLY A 71 -5.491 3.089 9.582 1.00 0.00 O ATOM 0 H GLY A 71 -6.571 1.825 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.233 1.122 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.555 1.607 7.611 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.475 4.170 7.865 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.782 5.344 8.657 1.00 0.00 C ATOM 1109 C GLY A 72 -5.624 6.320 8.741 1.00 0.00 C ATOM 1110 O GLY A 72 -5.580 7.150 9.649 1.00 0.00 O ATOM 0 H GLY A 72 -6.777 4.220 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.646 5.850 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.062 5.034 9.664 1.00 0.00 H new ATOM 1114 N MET A 73 -4.679 6.227 7.805 1.00 0.00 N ATOM 1115 CA MET A 73 -3.529 7.115 7.811 1.00 0.00 C ATOM 1116 C MET A 73 -3.441 7.932 6.528 1.00 0.00 C ATOM 1117 O MET A 73 -4.174 7.691 5.569 1.00 0.00 O ATOM 1118 CB MET A 73 -2.250 6.307 7.996 1.00 0.00 C ATOM 1119 CG MET A 73 -1.312 6.919 9.012 1.00 0.00 C ATOM 1120 SD MET A 73 0.289 6.090 9.076 1.00 0.00 S ATOM 1121 CE MET A 73 -0.106 4.664 10.083 1.00 0.00 C ATOM 0 H MET A 73 -4.691 5.550 7.042 1.00 0.00 H new ATOM 0 HA MET A 73 -3.650 7.809 8.643 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.507 5.295 8.309 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.737 6.224 7.038 1.00 0.00 H new ATOM 0 HG2 MET A 73 -1.161 7.972 8.772 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.776 6.880 9.998 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.786 4.052 10.213 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.464 4.995 11.058 1.00 0.00 H new ATOM 0 HE3 MET A 73 -0.881 4.076 9.592 1.00 0.00 H new ATOM 1131 N THR A 74 -2.523 8.892 6.522 1.00 0.00 N ATOM 1132 CA THR A 74 -2.310 9.747 5.362 1.00 0.00 C ATOM 1133 C THR A 74 -0.910 9.538 4.800 1.00 0.00 C ATOM 1134 O THR A 74 0.080 9.951 5.404 1.00 0.00 O ATOM 1135 CB THR A 74 -2.511 11.217 5.739 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.737 11.396 6.425 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.512 12.146 4.545 1.00 0.00 C ATOM 0 H THR A 74 -1.912 9.098 7.312 1.00 0.00 H new ATOM 0 HA THR A 74 -3.039 9.479 4.597 1.00 0.00 H new ATOM 0 HB THR A 74 -1.663 11.471 6.375 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.846 12.341 6.659 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.659 13.172 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.558 12.069 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.320 11.868 3.868 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.833 8.881 3.649 1.00 0.00 N ATOM 1146 CA PHE A 75 0.448 8.599 3.011 1.00 0.00 C ATOM 1147 C PHE A 75 0.671 9.493 1.794 1.00 0.00 C ATOM 1148 O PHE A 75 -0.175 9.574 0.906 1.00 0.00 O ATOM 1149 CB PHE A 75 0.497 7.128 2.609 1.00 0.00 C ATOM 1150 CG PHE A 75 1.018 6.229 3.686 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.375 6.154 3.951 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.145 5.457 4.436 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.855 5.326 4.947 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.620 4.627 5.433 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.975 4.561 5.691 1.00 0.00 C ATOM 0 H PHE A 75 -1.644 8.533 3.137 1.00 0.00 H new ATOM 0 HA PHE A 75 1.247 8.810 3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.505 6.803 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.125 7.023 1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.066 6.749 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.916 5.505 4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.916 5.276 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.069 4.029 6.011 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.347 3.914 6.472 1.00 0.00 H new ATOM 1165 N TYR A 76 1.821 10.161 1.763 1.00 0.00 N ATOM 1166 CA TYR A 76 2.161 11.049 0.655 1.00 0.00 C ATOM 1167 C TYR A 76 3.154 10.380 -0.287 1.00 0.00 C ATOM 1168 O TYR A 76 3.988 9.586 0.140 1.00 0.00 O ATOM 1169 CB TYR A 76 2.743 12.361 1.184 1.00 0.00 C ATOM 1170 CG TYR A 76 1.900 12.994 2.267 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.936 12.515 3.569 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.061 14.064 1.985 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.162 13.085 4.560 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.283 14.641 2.970 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.338 14.148 4.257 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.436 14.718 5.242 1.00 0.00 O ATOM 0 H TYR A 76 2.533 10.104 2.492 1.00 0.00 H new ATOM 0 HA TYR A 76 1.248 11.265 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.744 12.176 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.848 13.064 0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.580 11.683 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.016 14.452 0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.202 12.700 5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.364 15.473 2.734 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.958 15.456 4.862 1.00 0.00 H new ATOM 1186 N ARG A 77 3.050 10.696 -1.575 1.00 0.00 N ATOM 1187 CA ARG A 77 3.933 10.106 -2.574 1.00 0.00 C ATOM 1188 C ARG A 77 5.327 10.713 -2.540 1.00 0.00 C ATOM 1189 O ARG A 77 5.491 11.931 -2.589 1.00 0.00 O ATOM 1190 CB ARG A 77 3.366 10.274 -3.975 1.00 0.00 C ATOM 1191 CG ARG A 77 3.819 9.196 -4.945 1.00 0.00 C ATOM 1192 CD ARG A 77 2.830 8.049 -4.994 1.00 0.00 C ATOM 1193 NE ARG A 77 1.710 8.337 -5.886 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.727 8.112 -7.199 1.00 0.00 C ATOM 1195 NH1 ARG A 77 2.806 7.602 -7.779 1.00 0.00 N ATOM 1196 NH2 ARG A 77 0.661 8.401 -7.932 1.00 0.00 N ATOM 0 H ARG A 77 2.366 11.354 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 77 4.005 9.047 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.277 10.269 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.661 11.249 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.932 9.624 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.798 8.822 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.338 7.145 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.454 7.850 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 77 0.863 8.735 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.629 7.380 -7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.812 7.432 -8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.170 8.795 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.672 8.230 -8.937 1.00 0.00 H new ATOM 1210 N GLU A 78 6.313 9.831 -2.506 1.00 0.00 N ATOM 1211 CA GLU A 78 7.731 10.183 -2.508 1.00 0.00 C ATOM 1212 C GLU A 78 8.140 11.178 -1.403 1.00 0.00 C ATOM 1213 O GLU A 78 9.243 11.076 -0.867 1.00 0.00 O ATOM 1214 CB GLU A 78 8.122 10.675 -3.906 1.00 0.00 C ATOM 1215 CG GLU A 78 8.675 12.094 -3.968 1.00 0.00 C ATOM 1216 CD GLU A 78 9.297 12.416 -5.314 1.00 0.00 C ATOM 1217 OE1 GLU A 78 8.794 11.903 -6.337 1.00 0.00 O ATOM 1218 OE2 GLU A 78 10.284 13.179 -5.346 1.00 0.00 O ATOM 0 H GLU A 78 6.149 8.825 -2.475 1.00 0.00 H new ATOM 0 HA GLU A 78 8.292 9.280 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.867 9.994 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.246 10.616 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.873 12.803 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.422 12.224 -3.185 1.00 0.00 H new