USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 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 8 ASN : amide:sc= 0.819 K(o=0.58,f=-11!) USER MOD Set 1.2: A 19 GLN : amide:sc= -0.57 K(o=0.58,f=-5.4!) USER MOD Set 1.3: A 25 TYR OH : rot 69:sc= 0.334 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.344 USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= -3.19! (180deg=-5.94!) USER MOD Single : A 27 TYR OH : rot -120:sc= 0.0853 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= -0.0143 (180deg=-0.0143) USER MOD Single : A 29 TYR OH : rot 129:sc= 0.201 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -6.2! C(o=-6.2!,f=-9.7!) USER MOD Single : A 40 TYR OH : rot 112:sc= 1 USER MOD Single : A 41 SER OG : rot 140:sc= -0.316 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -4.21! (180deg=-4.6) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -120:sc= -0.377 USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0.185 (180deg=0.172) USER MOD Single : A 68 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.565 -4.473 11.272 1.00 0.00 N ATOM 63 CA ARG A 6 12.579 -3.483 12.395 1.00 0.00 C ATOM 64 C ARG A 6 11.838 -2.216 11.957 1.00 0.00 C ATOM 65 O ARG A 6 11.760 -1.901 10.787 1.00 0.00 O ATOM 66 CB ARG A 6 14.042 -3.136 12.744 1.00 0.00 C ATOM 67 CG ARG A 6 14.662 -4.213 13.683 1.00 0.00 C ATOM 68 CD ARG A 6 14.891 -3.631 15.087 1.00 0.00 C ATOM 69 NE ARG A 6 15.770 -2.415 15.000 1.00 0.00 N ATOM 70 CZ ARG A 6 16.977 -2.468 14.499 1.00 0.00 C ATOM 71 NH1 ARG A 6 17.524 -3.614 14.203 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.659 -1.366 14.338 1.00 0.00 N ATOM 0 HA ARG A 6 12.087 -3.906 13.271 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.630 -3.064 11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.083 -2.160 13.227 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.000 -5.077 13.744 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.607 -4.565 13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.936 -3.368 15.541 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.354 -4.380 15.729 1.00 0.00 H new ATOM 0 HE ARG A 6 15.415 -1.522 15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.010 -4.481 14.362 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.466 -3.644 13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.250 -0.470 14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.601 -1.401 13.948 1.00 0.00 H new ATOM 86 N ASP A 7 11.293 -1.490 12.895 1.00 0.00 N ATOM 87 CA ASP A 7 10.556 -0.244 12.544 1.00 0.00 C ATOM 88 C ASP A 7 11.546 0.907 12.370 1.00 0.00 C ATOM 89 O ASP A 7 12.731 0.701 12.197 1.00 0.00 O ATOM 90 CB ASP A 7 9.574 0.098 13.667 1.00 0.00 C ATOM 91 CG ASP A 7 10.335 0.219 14.989 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.404 -0.360 15.088 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.836 0.889 15.878 1.00 0.00 O ATOM 0 H ASP A 7 11.327 -1.707 13.891 1.00 0.00 H new ATOM 0 HA ASP A 7 10.011 -0.397 11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.060 1.033 13.444 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.809 -0.675 13.744 1.00 0.00 H new ATOM 98 N ASN A 8 11.069 2.120 12.415 1.00 0.00 N ATOM 99 CA ASN A 8 11.979 3.290 12.251 1.00 0.00 C ATOM 100 C ASN A 8 12.573 3.674 13.608 1.00 0.00 C ATOM 101 O ASN A 8 13.430 4.529 13.697 1.00 0.00 O ATOM 102 CB ASN A 8 11.187 4.474 11.694 1.00 0.00 C ATOM 103 CG ASN A 8 10.110 4.884 12.700 1.00 0.00 C ATOM 104 OD1 ASN A 8 9.256 4.094 13.050 1.00 0.00 O ATOM 105 ND2 ASN A 8 10.116 6.096 13.183 1.00 0.00 N ATOM 0 H ASN A 8 10.086 2.353 12.559 1.00 0.00 H new ATOM 0 HA ASN A 8 12.783 3.029 11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.855 5.313 11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.728 4.203 10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.403 6.381 13.855 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.833 6.759 12.889 1.00 0.00 H new ATOM 112 N ARG A 9 12.121 3.047 14.668 1.00 0.00 N ATOM 113 CA ARG A 9 12.651 3.370 16.033 1.00 0.00 C ATOM 114 C ARG A 9 13.540 2.225 16.526 1.00 0.00 C ATOM 115 O ARG A 9 14.739 2.234 16.332 1.00 0.00 O ATOM 116 CB ARG A 9 11.474 3.559 17.000 1.00 0.00 C ATOM 117 CG ARG A 9 10.568 4.705 16.511 1.00 0.00 C ATOM 118 CD ARG A 9 11.099 6.059 17.010 1.00 0.00 C ATOM 119 NE ARG A 9 10.475 6.378 18.325 1.00 0.00 N ATOM 120 CZ ARG A 9 10.980 7.318 19.075 1.00 0.00 C ATOM 121 NH1 ARG A 9 12.028 7.981 18.674 1.00 0.00 N ATOM 122 NH2 ARG A 9 10.434 7.595 20.228 1.00 0.00 N ATOM 0 H ARG A 9 11.404 2.322 14.647 1.00 0.00 H new ATOM 0 HA ARG A 9 13.240 4.286 15.988 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.899 2.635 17.071 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.846 3.781 18.000 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.525 4.703 15.422 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.551 4.551 16.871 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.184 6.023 17.108 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.870 6.841 16.286 1.00 0.00 H new ATOM 0 HE ARG A 9 9.653 5.861 18.638 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.454 7.765 17.773 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.422 8.716 19.261 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.613 7.077 20.541 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.828 8.330 20.815 1.00 0.00 H new ATOM 136 N GLY A 10 12.968 1.241 17.167 1.00 0.00 N ATOM 137 CA GLY A 10 13.794 0.106 17.670 1.00 0.00 C ATOM 138 C GLY A 10 12.893 -1.081 18.020 1.00 0.00 C ATOM 139 O GLY A 10 13.330 -2.046 18.617 1.00 0.00 O ATOM 0 H GLY A 10 11.969 1.174 17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.521 -0.189 16.913 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.358 0.417 18.549 1.00 0.00 H new ATOM 143 N ARG A 11 11.641 -1.029 17.649 1.00 0.00 N ATOM 144 CA ARG A 11 10.723 -2.161 17.958 1.00 0.00 C ATOM 145 C ARG A 11 10.871 -3.225 16.872 1.00 0.00 C ATOM 146 O ARG A 11 11.715 -3.115 16.008 1.00 0.00 O ATOM 147 CB ARG A 11 9.282 -1.648 17.989 1.00 0.00 C ATOM 148 CG ARG A 11 9.022 -0.930 19.317 1.00 0.00 C ATOM 149 CD ARG A 11 7.567 -0.469 19.367 1.00 0.00 C ATOM 150 NE ARG A 11 7.207 0.205 18.075 1.00 0.00 N ATOM 151 CZ ARG A 11 7.856 1.253 17.644 1.00 0.00 C ATOM 152 NH1 ARG A 11 8.736 1.846 18.403 1.00 0.00 N ATOM 153 NH2 ARG A 11 7.588 1.738 16.462 1.00 0.00 N ATOM 0 H ARG A 11 11.216 -0.251 17.145 1.00 0.00 H new ATOM 0 HA ARG A 11 10.970 -2.592 18.928 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.110 -0.967 17.156 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.587 -2.479 17.871 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.232 -1.598 20.152 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.690 -0.074 19.418 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.911 -1.322 19.539 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.421 0.218 20.200 1.00 0.00 H new ATOM 0 HE ARG A 11 6.436 -0.165 17.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.922 1.492 19.341 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.238 2.664 18.058 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.875 1.299 15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.092 2.556 16.120 1.00 0.00 H new ATOM 167 N ILE A 12 10.064 -4.256 16.908 1.00 0.00 N ATOM 168 CA ILE A 12 10.163 -5.341 15.877 1.00 0.00 C ATOM 169 C ILE A 12 8.823 -5.495 15.152 1.00 0.00 C ATOM 170 O ILE A 12 7.810 -5.790 15.755 1.00 0.00 O ATOM 171 CB ILE A 12 10.507 -6.664 16.571 1.00 0.00 C ATOM 172 CG1 ILE A 12 11.839 -6.528 17.346 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.604 -7.784 15.527 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.050 -6.742 16.421 1.00 0.00 C ATOM 0 H ILE A 12 9.337 -4.396 17.609 1.00 0.00 H new ATOM 0 HA ILE A 12 10.938 -5.081 15.156 1.00 0.00 H new ATOM 0 HB ILE A 12 9.719 -6.913 17.282 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.897 -5.540 17.802 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.866 -7.255 18.157 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.849 -8.723 16.023 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.649 -7.884 15.011 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.383 -7.541 14.804 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.970 -6.640 16.997 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.003 -7.740 15.986 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.036 -5.998 15.625 1.00 0.00 H new ATOM 186 N LEU A 13 8.814 -5.311 13.858 1.00 0.00 N ATOM 187 CA LEU A 13 7.545 -5.463 13.087 1.00 0.00 C ATOM 188 C LEU A 13 7.384 -6.932 12.692 1.00 0.00 C ATOM 189 O LEU A 13 8.340 -7.596 12.343 1.00 0.00 O ATOM 190 CB LEU A 13 7.605 -4.605 11.818 1.00 0.00 C ATOM 191 CG LEU A 13 7.879 -3.137 12.180 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.071 -2.322 10.890 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.697 -2.568 12.983 1.00 0.00 C ATOM 0 H LEU A 13 9.631 -5.062 13.301 1.00 0.00 H new ATOM 0 HA LEU A 13 6.702 -5.142 13.699 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.388 -4.976 11.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.664 -4.683 11.273 1.00 0.00 H new ATOM 0 HG LEU A 13 8.782 -3.076 12.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.266 -1.280 11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.915 -2.723 10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.168 -2.385 10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.897 -1.527 13.237 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.788 -2.627 12.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.567 -3.146 13.898 1.00 0.00 H new ATOM 205 N LYS A 14 6.185 -7.452 12.746 1.00 0.00 N ATOM 206 CA LYS A 14 5.981 -8.887 12.375 1.00 0.00 C ATOM 207 C LYS A 14 5.721 -8.989 10.868 1.00 0.00 C ATOM 208 O LYS A 14 5.270 -8.049 10.244 1.00 0.00 O ATOM 209 CB LYS A 14 4.774 -9.443 13.148 1.00 0.00 C ATOM 210 CG LYS A 14 5.194 -9.829 14.579 1.00 0.00 C ATOM 211 CD LYS A 14 5.768 -11.259 14.598 1.00 0.00 C ATOM 212 CE LYS A 14 6.668 -11.440 15.822 1.00 0.00 C ATOM 213 NZ LYS A 14 6.955 -12.890 16.017 1.00 0.00 N ATOM 0 H LYS A 14 5.343 -6.950 13.029 1.00 0.00 H new ATOM 0 HA LYS A 14 6.871 -9.464 12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.980 -8.697 13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.371 -10.314 12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.939 -9.125 14.949 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.335 -9.765 15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.956 -11.986 14.621 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.336 -11.445 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.599 -10.889 15.687 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.182 -11.032 16.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.567 -13.014 16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.063 -13.404 16.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.436 -13.265 15.175 1.00 0.00 H new ATOM 227 N THR A 15 6.004 -10.124 10.278 1.00 0.00 N ATOM 228 CA THR A 15 5.774 -10.284 8.810 1.00 0.00 C ATOM 229 C THR A 15 4.388 -9.753 8.452 1.00 0.00 C ATOM 230 O THR A 15 3.403 -10.461 8.516 1.00 0.00 O ATOM 231 CB THR A 15 5.863 -11.764 8.428 1.00 0.00 C ATOM 232 OG1 THR A 15 7.176 -12.241 8.687 1.00 0.00 O ATOM 233 CG2 THR A 15 5.542 -11.931 6.938 1.00 0.00 C ATOM 0 H THR A 15 6.384 -10.945 10.749 1.00 0.00 H new ATOM 0 HA THR A 15 6.535 -9.725 8.265 1.00 0.00 H new ATOM 0 HB THR A 15 5.146 -12.334 9.018 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.234 -13.189 8.444 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.606 -12.985 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.534 -11.566 6.740 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.257 -11.361 6.346 1.00 0.00 H new ATOM 241 N GLY A 16 4.305 -8.507 8.083 1.00 0.00 N ATOM 242 CA GLY A 16 2.985 -7.924 7.729 1.00 0.00 C ATOM 243 C GLY A 16 3.063 -6.403 7.835 1.00 0.00 C ATOM 244 O GLY A 16 2.669 -5.687 6.936 1.00 0.00 O ATOM 0 H GLY A 16 5.096 -7.867 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.705 -8.216 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.214 -8.308 8.397 1.00 0.00 H new ATOM 248 N GLU A 17 3.554 -5.902 8.937 1.00 0.00 N ATOM 249 CA GLU A 17 3.643 -4.423 9.116 1.00 0.00 C ATOM 250 C GLU A 17 4.984 -3.915 8.587 1.00 0.00 C ATOM 251 O GLU A 17 6.038 -4.340 9.016 1.00 0.00 O ATOM 252 CB GLU A 17 3.521 -4.085 10.604 1.00 0.00 C ATOM 253 CG GLU A 17 2.181 -4.600 11.136 1.00 0.00 C ATOM 254 CD GLU A 17 2.243 -6.121 11.297 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.136 -6.589 11.984 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.395 -6.792 10.731 1.00 0.00 O ATOM 0 H GLU A 17 3.898 -6.454 9.723 1.00 0.00 H new ATOM 0 HA GLU A 17 2.835 -3.944 8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.343 -4.537 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.592 -3.007 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.954 -4.132 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.378 -4.329 10.451 1.00 0.00 H new ATOM 263 N SER A 18 4.947 -2.999 7.656 1.00 0.00 N ATOM 264 CA SER A 18 6.209 -2.443 7.088 1.00 0.00 C ATOM 265 C SER A 18 5.939 -1.021 6.594 1.00 0.00 C ATOM 266 O SER A 18 5.072 -0.796 5.776 1.00 0.00 O ATOM 267 CB SER A 18 6.674 -3.318 5.921 1.00 0.00 C ATOM 268 OG SER A 18 6.513 -4.686 6.268 1.00 0.00 O ATOM 0 H SER A 18 4.090 -2.610 7.262 1.00 0.00 H new ATOM 0 HA SER A 18 6.987 -2.427 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.097 -3.087 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.719 -3.110 5.689 1.00 0.00 H new ATOM 0 HG SER A 18 6.808 -5.250 5.523 1.00 0.00 H new ATOM 274 N GLN A 19 6.661 -0.058 7.092 1.00 0.00 N ATOM 275 CA GLN A 19 6.426 1.347 6.654 1.00 0.00 C ATOM 276 C GLN A 19 6.671 1.474 5.149 1.00 0.00 C ATOM 277 O GLN A 19 7.355 0.669 4.547 1.00 0.00 O ATOM 278 CB GLN A 19 7.358 2.285 7.432 1.00 0.00 C ATOM 279 CG GLN A 19 6.767 2.590 8.812 1.00 0.00 C ATOM 280 CD GLN A 19 7.857 3.165 9.722 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.028 3.091 9.407 1.00 0.00 O ATOM 282 NE2 GLN A 19 7.518 3.740 10.843 1.00 0.00 N ATOM 0 H GLN A 19 7.402 -0.181 7.782 1.00 0.00 H new ATOM 0 HA GLN A 19 5.392 1.625 6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.340 1.825 7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.501 3.212 6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.945 3.300 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.354 1.682 9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.535 3.802 11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.236 4.127 11.455 1.00 0.00 H new ATOM 291 N ARG A 20 6.089 2.477 4.538 1.00 0.00 N ATOM 292 CA ARG A 20 6.240 2.678 3.062 1.00 0.00 C ATOM 293 C ARG A 20 7.136 3.888 2.778 1.00 0.00 C ATOM 294 O ARG A 20 8.163 4.080 3.398 1.00 0.00 O ATOM 295 CB ARG A 20 4.839 2.906 2.462 1.00 0.00 C ATOM 296 CG ARG A 20 4.802 2.453 0.993 1.00 0.00 C ATOM 297 CD ARG A 20 3.381 2.622 0.423 1.00 0.00 C ATOM 298 NE ARG A 20 3.474 3.050 -1.001 1.00 0.00 N ATOM 299 CZ ARG A 20 2.421 2.991 -1.767 1.00 0.00 C ATOM 300 NH1 ARG A 20 1.295 2.531 -1.293 1.00 0.00 N ATOM 301 NH2 ARG A 20 2.494 3.389 -3.006 1.00 0.00 N ATOM 0 H ARG A 20 5.508 3.174 5.005 1.00 0.00 H new ATOM 0 HA ARG A 20 6.705 1.800 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.096 2.354 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.575 3.961 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.510 3.038 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.111 1.410 0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.832 1.684 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.829 3.362 1.003 1.00 0.00 H new ATOM 0 HE ARG A 20 4.360 3.389 -1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.240 2.218 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.471 2.485 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.375 3.746 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.670 3.343 -3.606 1.00 0.00 H new ATOM 315 N LYS A 21 6.754 4.693 1.826 1.00 0.00 N ATOM 316 CA LYS A 21 7.571 5.888 1.459 1.00 0.00 C ATOM 317 C LYS A 21 7.153 7.098 2.301 1.00 0.00 C ATOM 318 O LYS A 21 7.924 8.013 2.509 1.00 0.00 O ATOM 319 CB LYS A 21 7.350 6.213 -0.026 1.00 0.00 C ATOM 320 CG LYS A 21 7.709 4.993 -0.895 1.00 0.00 C ATOM 321 CD LYS A 21 6.978 5.064 -2.244 1.00 0.00 C ATOM 322 CE LYS A 21 7.522 6.233 -3.066 1.00 0.00 C ATOM 323 NZ LYS A 21 7.052 7.518 -2.474 1.00 0.00 N ATOM 0 H LYS A 21 5.901 4.574 1.279 1.00 0.00 H new ATOM 0 HA LYS A 21 8.622 5.669 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.311 6.495 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.963 7.067 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.786 4.959 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.437 4.075 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.111 4.130 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.907 5.188 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.612 6.205 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.186 6.152 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.781 8.172 -3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.230 7.338 -1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.817 7.941 -1.910 1.00 0.00 H new ATOM 337 N ASP A 22 5.938 7.123 2.778 1.00 0.00 N ATOM 338 CA ASP A 22 5.483 8.289 3.591 1.00 0.00 C ATOM 339 C ASP A 22 5.949 8.130 5.041 1.00 0.00 C ATOM 340 O ASP A 22 5.657 8.950 5.889 1.00 0.00 O ATOM 341 CB ASP A 22 3.954 8.372 3.551 1.00 0.00 C ATOM 342 CG ASP A 22 3.505 8.909 2.191 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.110 9.860 1.722 1.00 0.00 O ATOM 344 OD2 ASP A 22 2.565 8.360 1.641 1.00 0.00 O ATOM 0 H ASP A 22 5.242 6.390 2.641 1.00 0.00 H new ATOM 0 HA ASP A 22 5.911 9.202 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.522 7.387 3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.594 9.023 4.347 1.00 0.00 H new ATOM 349 N GLY A 23 6.672 7.086 5.335 1.00 0.00 N ATOM 350 CA GLY A 23 7.153 6.883 6.731 1.00 0.00 C ATOM 351 C GLY A 23 6.021 6.302 7.578 1.00 0.00 C ATOM 352 O GLY A 23 6.247 5.722 8.622 1.00 0.00 O ATOM 0 H GLY A 23 6.951 6.365 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.010 6.209 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.489 7.830 7.153 1.00 0.00 H new ATOM 356 N ARG A 24 4.803 6.449 7.133 1.00 0.00 N ATOM 357 CA ARG A 24 3.654 5.902 7.907 1.00 0.00 C ATOM 358 C ARG A 24 3.712 4.376 7.886 1.00 0.00 C ATOM 359 O ARG A 24 4.298 3.781 7.002 1.00 0.00 O ATOM 360 CB ARG A 24 2.341 6.361 7.264 1.00 0.00 C ATOM 361 CG ARG A 24 2.208 5.743 5.866 1.00 0.00 C ATOM 362 CD ARG A 24 1.171 6.518 5.049 1.00 0.00 C ATOM 363 NE ARG A 24 1.559 7.955 4.974 1.00 0.00 N ATOM 364 CZ ARG A 24 1.023 8.729 4.071 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.170 8.236 3.215 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.342 9.993 4.020 1.00 0.00 N ATOM 0 H ARG A 24 4.554 6.925 6.266 1.00 0.00 H new ATOM 0 HA ARG A 24 3.705 6.261 8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.497 6.064 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.319 7.449 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.172 5.762 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.911 4.697 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.098 6.099 4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.187 6.421 5.507 1.00 0.00 H new ATOM 0 HE ARG A 24 2.244 8.333 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.077 7.247 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.250 8.840 2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.011 10.377 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.922 10.597 3.313 1.00 0.00 H new ATOM 380 N TYR A 25 3.104 3.733 8.841 1.00 0.00 N ATOM 381 CA TYR A 25 3.121 2.246 8.856 1.00 0.00 C ATOM 382 C TYR A 25 2.156 1.734 7.779 1.00 0.00 C ATOM 383 O TYR A 25 1.114 2.319 7.546 1.00 0.00 O ATOM 384 CB TYR A 25 2.674 1.739 10.231 1.00 0.00 C ATOM 385 CG TYR A 25 3.725 2.084 11.263 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.890 1.312 11.365 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.536 3.178 12.117 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.865 1.635 12.319 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.511 3.500 13.071 1.00 0.00 C ATOM 390 CZ TYR A 25 5.675 2.730 13.171 1.00 0.00 C ATOM 391 OH TYR A 25 6.636 3.050 14.110 1.00 0.00 O ATOM 0 H TYR A 25 2.597 4.171 9.610 1.00 0.00 H new ATOM 0 HA TYR A 25 4.129 1.883 8.656 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.720 2.190 10.504 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.520 0.660 10.200 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.037 0.467 10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.638 3.774 12.040 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.763 1.039 12.397 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.364 4.343 13.730 1.00 0.00 H new ATOM 0 HH TYR A 25 7.439 3.382 13.656 1.00 0.00 H new ATOM 401 N LEU A 26 2.489 0.647 7.121 1.00 0.00 N ATOM 402 CA LEU A 26 1.592 0.088 6.054 1.00 0.00 C ATOM 403 C LEU A 26 1.481 -1.421 6.271 1.00 0.00 C ATOM 404 O LEU A 26 2.434 -2.158 6.119 1.00 0.00 O ATOM 405 CB LEU A 26 2.203 0.400 4.668 1.00 0.00 C ATOM 406 CG LEU A 26 1.365 -0.167 3.478 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.792 -1.601 3.123 1.00 0.00 C ATOM 408 CD2 LEU A 26 -0.139 -0.155 3.786 1.00 0.00 C ATOM 0 H LEU A 26 3.348 0.120 7.277 1.00 0.00 H new ATOM 0 HA LEU A 26 0.599 0.534 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.296 1.480 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.211 -0.013 4.622 1.00 0.00 H new ATOM 0 HG LEU A 26 1.557 0.486 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.189 -1.965 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.844 -1.607 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.646 -2.249 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.688 -0.557 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.335 -0.768 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.463 0.868 3.977 1.00 0.00 H new ATOM 420 N TYR A 27 0.312 -1.878 6.641 1.00 0.00 N ATOM 421 CA TYR A 27 0.103 -3.335 6.895 1.00 0.00 C ATOM 422 C TYR A 27 -0.597 -3.962 5.691 1.00 0.00 C ATOM 423 O TYR A 27 -1.801 -3.862 5.528 1.00 0.00 O ATOM 424 CB TYR A 27 -0.762 -3.484 8.152 1.00 0.00 C ATOM 425 CG TYR A 27 -1.290 -4.899 8.296 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.398 -5.966 8.404 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.671 -5.137 8.340 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.876 -7.272 8.556 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.152 -6.444 8.490 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.255 -7.511 8.598 1.00 0.00 C ATOM 431 OH TYR A 27 -2.729 -8.798 8.748 1.00 0.00 O ATOM 0 H TYR A 27 -0.515 -1.297 6.779 1.00 0.00 H new ATOM 0 HA TYR A 27 1.057 -3.841 7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.175 -3.222 9.032 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.597 -2.785 8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.666 -5.783 8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.364 -4.313 8.258 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.182 -8.095 8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.216 -6.628 8.522 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.283 -9.035 7.975 1.00 0.00 H new ATOM 441 N LYS A 28 0.161 -4.609 4.847 1.00 0.00 N ATOM 442 CA LYS A 28 -0.424 -5.272 3.647 1.00 0.00 C ATOM 443 C LYS A 28 -0.634 -6.751 3.973 1.00 0.00 C ATOM 444 O LYS A 28 0.235 -7.395 4.527 1.00 0.00 O ATOM 445 CB LYS A 28 0.550 -5.129 2.469 1.00 0.00 C ATOM 446 CG LYS A 28 -0.182 -5.311 1.133 1.00 0.00 C ATOM 447 CD LYS A 28 0.725 -4.820 -0.005 1.00 0.00 C ATOM 448 CE LYS A 28 0.059 -5.071 -1.367 1.00 0.00 C ATOM 449 NZ LYS A 28 0.477 -6.405 -1.882 1.00 0.00 N ATOM 0 H LYS A 28 1.172 -4.707 4.940 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.375 -4.813 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.023 -4.147 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.346 -5.869 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.439 -6.360 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.117 -4.752 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.929 -3.756 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.685 -5.335 0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.026 -5.031 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.343 -4.291 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.028 -6.578 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.511 -6.426 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.185 -7.144 -1.211 1.00 0.00 H new ATOM 463 N TYR A 29 -1.767 -7.303 3.645 1.00 0.00 N ATOM 464 CA TYR A 29 -1.992 -8.746 3.953 1.00 0.00 C ATOM 465 C TYR A 29 -3.015 -9.340 2.984 1.00 0.00 C ATOM 466 O TYR A 29 -4.012 -8.726 2.658 1.00 0.00 O ATOM 467 CB TYR A 29 -2.483 -8.896 5.401 1.00 0.00 C ATOM 468 CG TYR A 29 -3.928 -8.463 5.523 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.242 -7.125 5.793 1.00 0.00 C ATOM 470 CD2 TYR A 29 -4.953 -9.406 5.373 1.00 0.00 C ATOM 471 CE1 TYR A 29 -5.580 -6.730 5.912 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.291 -9.011 5.493 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.605 -7.674 5.763 1.00 0.00 C ATOM 474 OH TYR A 29 -7.923 -7.285 5.882 1.00 0.00 O ATOM 0 H TYR A 29 -2.541 -6.826 3.182 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.052 -9.285 3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.381 -9.933 5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.861 -8.296 6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.452 -6.398 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.711 -10.438 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.822 -5.698 6.119 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.081 -9.738 5.377 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.431 -7.608 5.109 1.00 0.00 H new ATOM 484 N ILE A 30 -2.770 -10.537 2.529 1.00 0.00 N ATOM 485 CA ILE A 30 -3.718 -11.190 1.589 1.00 0.00 C ATOM 486 C ILE A 30 -4.945 -11.650 2.381 1.00 0.00 C ATOM 487 O ILE A 30 -4.827 -12.328 3.382 1.00 0.00 O ATOM 488 CB ILE A 30 -3.047 -12.412 0.928 1.00 0.00 C ATOM 489 CG1 ILE A 30 -1.598 -12.089 0.492 1.00 0.00 C ATOM 490 CG2 ILE A 30 -3.862 -12.859 -0.290 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.582 -11.244 -0.782 1.00 0.00 C ATOM 0 H ILE A 30 -1.949 -11.092 2.770 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.011 -10.485 0.811 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.013 -13.216 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.084 -11.556 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.050 -13.016 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.383 -13.722 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.870 -13.129 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.914 -12.044 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.551 -11.032 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.074 -11.790 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.109 -10.307 -0.604 1.00 0.00 H new ATOM 503 N ASP A 31 -6.121 -11.285 1.949 1.00 0.00 N ATOM 504 CA ASP A 31 -7.343 -11.705 2.694 1.00 0.00 C ATOM 505 C ASP A 31 -7.689 -13.155 2.336 1.00 0.00 C ATOM 506 O ASP A 31 -7.132 -13.728 1.420 1.00 0.00 O ATOM 507 CB ASP A 31 -8.509 -10.789 2.320 1.00 0.00 C ATOM 508 CG ASP A 31 -8.025 -9.337 2.292 1.00 0.00 C ATOM 509 OD1 ASP A 31 -7.920 -8.749 3.355 1.00 0.00 O ATOM 510 OD2 ASP A 31 -7.767 -8.841 1.208 1.00 0.00 O ATOM 0 H ASP A 31 -6.289 -10.718 1.118 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.158 -11.634 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.909 -11.070 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.319 -10.900 3.041 1.00 0.00 H new ATOM 515 N SER A 32 -8.594 -13.754 3.061 1.00 0.00 N ATOM 516 CA SER A 32 -8.969 -15.172 2.778 1.00 0.00 C ATOM 517 C SER A 32 -9.580 -15.290 1.379 1.00 0.00 C ATOM 518 O SER A 32 -10.045 -16.343 0.989 1.00 0.00 O ATOM 519 CB SER A 32 -9.986 -15.644 3.817 1.00 0.00 C ATOM 520 OG SER A 32 -9.346 -15.770 5.080 1.00 0.00 O ATOM 0 H SER A 32 -9.092 -13.323 3.840 1.00 0.00 H new ATOM 0 HA SER A 32 -8.074 -15.792 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.810 -14.934 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.413 -16.601 3.516 1.00 0.00 H new ATOM 0 HG SER A 32 -9.997 -16.071 5.748 1.00 0.00 H new ATOM 526 N PHE A 33 -9.586 -14.225 0.619 1.00 0.00 N ATOM 527 CA PHE A 33 -10.169 -14.277 -0.755 1.00 0.00 C ATOM 528 C PHE A 33 -9.035 -14.414 -1.775 1.00 0.00 C ATOM 529 O PHE A 33 -9.200 -14.998 -2.827 1.00 0.00 O ATOM 530 CB PHE A 33 -10.942 -12.974 -1.016 1.00 0.00 C ATOM 531 CG PHE A 33 -12.349 -13.090 -0.469 1.00 0.00 C ATOM 532 CD1 PHE A 33 -12.620 -12.707 0.849 1.00 0.00 C ATOM 533 CD2 PHE A 33 -13.378 -13.581 -1.281 1.00 0.00 C ATOM 534 CE1 PHE A 33 -13.920 -12.813 1.356 1.00 0.00 C ATOM 535 CE2 PHE A 33 -14.680 -13.689 -0.774 1.00 0.00 C ATOM 536 CZ PHE A 33 -14.950 -13.304 0.545 1.00 0.00 C ATOM 0 H PHE A 33 -9.210 -13.317 0.893 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.843 -15.128 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.428 -12.136 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.974 -12.768 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.825 -12.329 1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.169 -13.877 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.129 -12.516 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -15.474 -14.069 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.953 -13.386 0.937 1.00 0.00 H new ATOM 546 N GLY A 34 -7.887 -13.872 -1.468 1.00 0.00 N ATOM 547 CA GLY A 34 -6.724 -13.951 -2.408 1.00 0.00 C ATOM 548 C GLY A 34 -6.526 -12.587 -3.068 1.00 0.00 C ATOM 549 O GLY A 34 -6.066 -12.489 -4.188 1.00 0.00 O ATOM 0 H GLY A 34 -7.701 -13.372 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.823 -14.243 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.903 -14.714 -3.166 1.00 0.00 H new ATOM 553 N GLU A 35 -6.879 -11.531 -2.374 1.00 0.00 N ATOM 554 CA GLU A 35 -6.726 -10.149 -2.936 1.00 0.00 C ATOM 555 C GLU A 35 -6.014 -9.265 -1.890 1.00 0.00 C ATOM 556 O GLU A 35 -6.565 -9.004 -0.839 1.00 0.00 O ATOM 557 CB GLU A 35 -8.118 -9.565 -3.240 1.00 0.00 C ATOM 558 CG GLU A 35 -9.127 -10.104 -2.231 1.00 0.00 C ATOM 559 CD GLU A 35 -10.488 -9.443 -2.462 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.664 -8.844 -3.510 1.00 0.00 O ATOM 561 OE2 GLU A 35 -11.332 -9.548 -1.587 1.00 0.00 O ATOM 0 H GLU A 35 -7.271 -11.567 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.141 -10.182 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.086 -8.477 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.422 -9.831 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.215 -11.186 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.783 -9.906 -1.216 1.00 0.00 H new ATOM 568 N PRO A 36 -4.807 -8.802 -2.153 1.00 0.00 N ATOM 569 CA PRO A 36 -4.061 -7.945 -1.185 1.00 0.00 C ATOM 570 C PRO A 36 -4.961 -6.892 -0.531 1.00 0.00 C ATOM 571 O PRO A 36 -5.973 -6.501 -1.078 1.00 0.00 O ATOM 572 CB PRO A 36 -2.981 -7.293 -2.049 1.00 0.00 C ATOM 573 CG PRO A 36 -2.689 -8.306 -3.106 1.00 0.00 C ATOM 574 CD PRO A 36 -4.014 -9.030 -3.380 1.00 0.00 C ATOM 0 HA PRO A 36 -3.657 -8.518 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.331 -6.356 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.091 -7.061 -1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.312 -7.828 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.924 -9.007 -2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.515 -8.626 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.858 -10.093 -3.562 1.00 0.00 H new ATOM 582 N GLN A 37 -4.604 -6.445 0.649 1.00 0.00 N ATOM 583 CA GLN A 37 -5.437 -5.429 1.366 1.00 0.00 C ATOM 584 C GLN A 37 -4.529 -4.327 1.937 1.00 0.00 C ATOM 585 O GLN A 37 -3.522 -4.603 2.552 1.00 0.00 O ATOM 586 CB GLN A 37 -6.186 -6.139 2.506 1.00 0.00 C ATOM 587 CG GLN A 37 -7.482 -5.392 2.842 1.00 0.00 C ATOM 588 CD GLN A 37 -7.203 -3.894 2.996 1.00 0.00 C ATOM 589 OE1 GLN A 37 -7.274 -3.150 2.038 1.00 0.00 O ATOM 590 NE2 GLN A 37 -6.892 -3.417 4.169 1.00 0.00 N ATOM 0 H GLN A 37 -3.766 -6.742 1.149 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.150 -4.971 0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.415 -7.164 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.550 -6.192 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.218 -5.553 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.910 -5.787 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.832 -4.041 4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.709 -2.420 4.282 1.00 0.00 H new ATOM 599 N PHE A 38 -4.878 -3.082 1.725 1.00 0.00 N ATOM 600 CA PHE A 38 -4.035 -1.949 2.238 1.00 0.00 C ATOM 601 C PHE A 38 -4.635 -1.331 3.513 1.00 0.00 C ATOM 602 O PHE A 38 -5.764 -0.881 3.526 1.00 0.00 O ATOM 603 CB PHE A 38 -3.962 -0.847 1.153 1.00 0.00 C ATOM 604 CG PHE A 38 -2.758 -1.050 0.260 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.747 -2.084 -0.676 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.658 -0.188 0.364 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.637 -2.259 -1.505 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.548 -0.366 -0.464 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.536 -1.402 -1.399 1.00 0.00 C ATOM 0 H PHE A 38 -5.715 -2.797 1.216 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.046 -2.342 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.872 -0.861 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.908 0.133 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.595 -2.748 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.669 0.615 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.628 -3.059 -2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.300 0.297 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.322 -1.542 -2.040 1.00 0.00 H new ATOM 619 N VAL A 39 -3.850 -1.250 4.562 1.00 0.00 N ATOM 620 CA VAL A 39 -4.312 -0.594 5.829 1.00 0.00 C ATOM 621 C VAL A 39 -3.241 0.433 6.213 1.00 0.00 C ATOM 622 O VAL A 39 -2.093 0.090 6.417 1.00 0.00 O ATOM 623 CB VAL A 39 -4.465 -1.630 6.946 1.00 0.00 C ATOM 624 CG1 VAL A 39 -4.854 -0.924 8.251 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.554 -2.638 6.567 1.00 0.00 C ATOM 0 H VAL A 39 -2.898 -1.615 4.595 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.282 -0.119 5.684 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.519 -2.154 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.963 -1.662 9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.077 -0.209 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.799 -0.398 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.661 -3.374 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.500 -2.116 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.277 -3.142 5.641 1.00 0.00 H new ATOM 635 N TYR A 40 -3.593 1.695 6.273 1.00 0.00 N ATOM 636 CA TYR A 40 -2.579 2.752 6.596 1.00 0.00 C ATOM 637 C TYR A 40 -2.704 3.203 8.055 1.00 0.00 C ATOM 638 O TYR A 40 -3.727 3.041 8.688 1.00 0.00 O ATOM 639 CB TYR A 40 -2.818 3.967 5.691 1.00 0.00 C ATOM 640 CG TYR A 40 -2.370 3.668 4.279 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.055 3.947 3.888 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.273 3.128 3.355 1.00 0.00 C ATOM 643 CE1 TYR A 40 -0.641 3.684 2.577 1.00 0.00 C ATOM 644 CE2 TYR A 40 -2.861 2.868 2.042 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.545 3.146 1.653 1.00 0.00 C ATOM 646 OH TYR A 40 -1.138 2.892 0.357 1.00 0.00 O ATOM 0 H TYR A 40 -4.539 2.040 6.112 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.584 2.336 6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.876 4.230 5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.274 4.829 6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.359 4.366 4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.288 2.912 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.375 3.896 2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.558 2.453 1.329 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.125 1.924 0.202 1.00 0.00 H new ATOM 656 N SER A 41 -1.656 3.788 8.577 1.00 0.00 N ATOM 657 CA SER A 41 -1.678 4.283 9.984 1.00 0.00 C ATOM 658 C SER A 41 -0.336 4.970 10.283 1.00 0.00 C ATOM 659 O SER A 41 0.660 4.698 9.643 1.00 0.00 O ATOM 660 CB SER A 41 -1.912 3.105 10.946 1.00 0.00 C ATOM 661 OG SER A 41 -3.141 3.306 11.632 1.00 0.00 O ATOM 0 H SER A 41 -0.778 3.945 8.082 1.00 0.00 H new ATOM 0 HA SER A 41 -2.488 4.999 10.120 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.939 2.166 10.393 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.090 3.032 11.659 1.00 0.00 H new ATOM 0 HG SER A 41 -3.616 2.452 11.710 1.00 0.00 H new ATOM 667 N TRP A 42 -0.305 5.855 11.249 1.00 0.00 N ATOM 668 CA TRP A 42 0.969 6.564 11.593 1.00 0.00 C ATOM 669 C TRP A 42 1.517 6.014 12.913 1.00 0.00 C ATOM 670 O TRP A 42 2.711 5.887 13.094 1.00 0.00 O ATOM 671 CB TRP A 42 0.685 8.061 11.756 1.00 0.00 C ATOM 672 CG TRP A 42 0.498 8.696 10.415 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.695 9.056 9.888 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.510 9.060 9.427 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.482 9.620 8.643 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.860 9.646 8.313 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.913 8.944 9.389 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.574 10.098 7.204 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.636 9.397 8.270 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.966 9.973 7.182 1.00 0.00 C ATOM 0 H TRP A 42 -1.110 6.119 11.817 1.00 0.00 H new ATOM 0 HA TRP A 42 1.698 6.409 10.798 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.208 8.206 12.364 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.510 8.541 12.283 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.657 8.925 10.362 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.226 9.974 8.041 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.438 8.504 10.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.055 10.542 6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.711 9.300 8.249 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.526 10.320 6.326 1.00 0.00 H new ATOM 691 N LYS A 43 0.651 5.699 13.840 1.00 0.00 N ATOM 692 CA LYS A 43 1.114 5.167 15.161 1.00 0.00 C ATOM 693 C LYS A 43 1.094 3.634 15.124 1.00 0.00 C ATOM 694 O LYS A 43 0.114 3.034 14.730 1.00 0.00 O ATOM 695 CB LYS A 43 0.171 5.640 16.292 1.00 0.00 C ATOM 696 CG LYS A 43 -0.224 7.127 16.118 1.00 0.00 C ATOM 697 CD LYS A 43 -1.567 7.430 16.834 1.00 0.00 C ATOM 698 CE LYS A 43 -1.329 7.806 18.306 1.00 0.00 C ATOM 699 NZ LYS A 43 -0.161 7.054 18.842 1.00 0.00 N ATOM 0 H LYS A 43 -0.360 5.787 13.741 1.00 0.00 H new ATOM 0 HA LYS A 43 2.123 5.533 15.350 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.727 5.023 16.300 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.661 5.503 17.256 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.561 7.766 16.523 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.311 7.363 15.057 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.080 8.245 16.324 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.219 6.558 16.778 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.152 8.878 18.392 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.218 7.581 18.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.098 7.434 19.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.408 6.048 18.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.645 7.154 18.192 1.00 0.00 H new ATOM 713 N LEU A 44 2.143 2.987 15.559 1.00 0.00 N ATOM 714 CA LEU A 44 2.121 1.497 15.567 1.00 0.00 C ATOM 715 C LEU A 44 1.219 1.056 16.716 1.00 0.00 C ATOM 716 O LEU A 44 0.533 0.060 16.636 1.00 0.00 O ATOM 717 CB LEU A 44 3.532 0.932 15.785 1.00 0.00 C ATOM 718 CG LEU A 44 3.514 -0.608 15.614 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.667 -0.978 14.133 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.667 -1.241 16.402 1.00 0.00 C ATOM 0 H LEU A 44 3.001 3.418 15.904 1.00 0.00 H new ATOM 0 HA LEU A 44 1.752 1.128 14.610 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.226 1.378 15.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.888 1.192 16.782 1.00 0.00 H new ATOM 0 HG LEU A 44 2.562 -0.983 15.990 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.653 -2.063 14.026 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.844 -0.546 13.563 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.613 -0.588 13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.644 -2.323 16.274 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.616 -0.852 16.033 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.562 -0.998 17.459 1.00 0.00 H new ATOM 732 N VAL A 45 1.208 1.813 17.782 1.00 0.00 N ATOM 733 CA VAL A 45 0.345 1.472 18.952 1.00 0.00 C ATOM 734 C VAL A 45 -0.298 2.762 19.448 1.00 0.00 C ATOM 735 O VAL A 45 0.254 3.836 19.306 1.00 0.00 O ATOM 736 CB VAL A 45 1.191 0.832 20.069 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.145 -0.210 19.475 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.006 1.911 20.796 1.00 0.00 C ATOM 0 H VAL A 45 1.765 2.660 17.893 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.423 0.755 18.661 1.00 0.00 H new ATOM 0 HB VAL A 45 0.521 0.346 20.778 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.739 -0.657 20.273 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.568 -0.987 18.973 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.808 0.271 18.756 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.601 1.449 21.584 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.667 2.407 20.086 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.329 2.644 21.235 1.00 0.00 H new ATOM 748 N ALA A 46 -1.465 2.673 20.002 1.00 0.00 N ATOM 749 CA ALA A 46 -2.145 3.902 20.472 1.00 0.00 C ATOM 750 C ALA A 46 -1.391 4.499 21.660 1.00 0.00 C ATOM 751 O ALA A 46 -1.893 4.571 22.764 1.00 0.00 O ATOM 752 CB ALA A 46 -3.586 3.562 20.852 1.00 0.00 C ATOM 0 H ALA A 46 -1.978 1.804 20.150 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.156 4.646 19.675 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.093 4.462 21.199 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.108 3.165 19.981 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.586 2.816 21.647 1.00 0.00 H new ATOM 758 N THR A 47 -0.189 4.949 21.421 1.00 0.00 N ATOM 759 CA THR A 47 0.622 5.575 22.503 1.00 0.00 C ATOM 760 C THR A 47 1.571 6.597 21.871 1.00 0.00 C ATOM 761 O THR A 47 1.875 7.624 22.446 1.00 0.00 O ATOM 762 CB THR A 47 1.430 4.503 23.243 1.00 0.00 C ATOM 763 OG1 THR A 47 0.607 3.365 23.467 1.00 0.00 O ATOM 764 CG2 THR A 47 1.904 5.059 24.584 1.00 0.00 C ATOM 0 H THR A 47 0.270 4.909 20.511 1.00 0.00 H new ATOM 0 HA THR A 47 -0.036 6.068 23.219 1.00 0.00 H new ATOM 0 HB THR A 47 2.294 4.217 22.643 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.121 2.677 23.939 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.479 4.297 25.111 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.531 5.934 24.414 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.041 5.343 25.186 1.00 0.00 H new ATOM 772 N ASP A 48 2.034 6.319 20.681 1.00 0.00 N ATOM 773 CA ASP A 48 2.955 7.258 19.985 1.00 0.00 C ATOM 774 C ASP A 48 2.186 8.539 19.620 1.00 0.00 C ATOM 775 O ASP A 48 1.166 8.840 20.208 1.00 0.00 O ATOM 776 CB ASP A 48 3.486 6.564 18.719 1.00 0.00 C ATOM 777 CG ASP A 48 4.670 5.663 19.081 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.660 5.114 20.171 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.566 5.536 18.263 1.00 0.00 O ATOM 0 H ASP A 48 1.810 5.472 20.158 1.00 0.00 H new ATOM 0 HA ASP A 48 3.793 7.528 20.627 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.695 5.973 18.258 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.795 7.310 17.986 1.00 0.00 H new ATOM 784 N ARG A 49 2.666 9.296 18.660 1.00 0.00 N ATOM 785 CA ARG A 49 1.969 10.563 18.256 1.00 0.00 C ATOM 786 C ARG A 49 1.806 10.586 16.734 1.00 0.00 C ATOM 787 O ARG A 49 1.936 9.578 16.074 1.00 0.00 O ATOM 788 CB ARG A 49 2.810 11.768 18.692 1.00 0.00 C ATOM 789 CG ARG A 49 2.907 11.824 20.227 1.00 0.00 C ATOM 790 CD ARG A 49 1.681 12.538 20.814 1.00 0.00 C ATOM 791 NE ARG A 49 1.857 12.694 22.285 1.00 0.00 N ATOM 792 CZ ARG A 49 1.097 13.521 22.951 1.00 0.00 C ATOM 793 NH1 ARG A 49 0.180 14.210 22.328 1.00 0.00 N ATOM 794 NH2 ARG A 49 1.255 13.658 24.239 1.00 0.00 N ATOM 0 H ARG A 49 3.516 9.090 18.135 1.00 0.00 H new ATOM 0 HA ARG A 49 0.990 10.609 18.732 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.808 11.699 18.260 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.363 12.688 18.315 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.976 10.814 20.631 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.817 12.347 20.522 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.556 13.514 20.346 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.778 11.966 20.603 1.00 0.00 H new ATOM 0 HE ARG A 49 2.572 12.154 22.773 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.057 14.102 21.321 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.414 14.856 22.848 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.972 13.119 24.725 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.662 14.304 24.760 1.00 0.00 H new ATOM 808 N VAL A 50 1.522 11.734 16.172 1.00 0.00 N ATOM 809 CA VAL A 50 1.345 11.824 14.689 1.00 0.00 C ATOM 810 C VAL A 50 1.584 13.281 14.236 1.00 0.00 C ATOM 811 O VAL A 50 0.868 14.173 14.643 1.00 0.00 O ATOM 812 CB VAL A 50 -0.091 11.417 14.308 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.303 9.925 14.589 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.112 12.243 15.111 1.00 0.00 C ATOM 0 H VAL A 50 1.405 12.613 16.676 1.00 0.00 H new ATOM 0 HA VAL A 50 2.056 11.156 14.203 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.237 11.610 13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.321 9.645 14.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.404 9.340 14.001 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.143 9.728 15.649 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.122 11.944 14.831 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.964 12.068 16.177 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.974 13.302 14.895 1.00 0.00 H new ATOM 824 N PRO A 51 2.575 13.541 13.403 1.00 0.00 N ATOM 825 CA PRO A 51 2.859 14.926 12.921 1.00 0.00 C ATOM 826 C PRO A 51 1.590 15.689 12.537 1.00 0.00 C ATOM 827 O PRO A 51 0.664 15.140 11.979 1.00 0.00 O ATOM 828 CB PRO A 51 3.755 14.706 11.699 1.00 0.00 C ATOM 829 CG PRO A 51 4.488 13.436 11.992 1.00 0.00 C ATOM 830 CD PRO A 51 3.534 12.571 12.830 1.00 0.00 C ATOM 0 HA PRO A 51 3.323 15.536 13.696 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.166 14.622 10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.445 15.538 11.558 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.766 12.926 11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.411 13.636 12.536 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.028 11.826 12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.069 12.030 13.611 1.00 0.00 H new ATOM 838 N ALA A 52 1.551 16.953 12.838 1.00 0.00 N ATOM 839 CA ALA A 52 0.357 17.771 12.497 1.00 0.00 C ATOM 840 C ALA A 52 0.067 17.660 10.994 1.00 0.00 C ATOM 841 O ALA A 52 0.939 17.354 10.206 1.00 0.00 O ATOM 842 CB ALA A 52 0.641 19.226 12.876 1.00 0.00 C ATOM 0 H ALA A 52 2.300 17.460 13.309 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.515 17.413 13.045 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.225 19.841 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.843 19.291 13.945 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.508 19.584 12.321 1.00 0.00 H new ATOM 848 N GLY A 53 -1.151 17.914 10.592 1.00 0.00 N ATOM 849 CA GLY A 53 -1.499 17.831 9.140 1.00 0.00 C ATOM 850 C GLY A 53 -1.910 16.399 8.788 1.00 0.00 C ATOM 851 O GLY A 53 -2.485 16.146 7.748 1.00 0.00 O ATOM 0 H GLY A 53 -1.922 18.176 11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.313 18.520 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.645 18.134 8.534 1.00 0.00 H new ATOM 855 N LYS A 54 -1.619 15.459 9.646 1.00 0.00 N ATOM 856 CA LYS A 54 -1.988 14.041 9.367 1.00 0.00 C ATOM 857 C LYS A 54 -3.406 13.772 9.887 1.00 0.00 C ATOM 858 O LYS A 54 -3.871 14.408 10.811 1.00 0.00 O ATOM 859 CB LYS A 54 -0.987 13.127 10.085 1.00 0.00 C ATOM 860 CG LYS A 54 0.316 13.005 9.276 1.00 0.00 C ATOM 861 CD LYS A 54 0.811 14.384 8.808 1.00 0.00 C ATOM 862 CE LYS A 54 2.180 14.232 8.138 1.00 0.00 C ATOM 863 NZ LYS A 54 2.824 15.571 8.020 1.00 0.00 N ATOM 0 H LYS A 54 -1.139 15.613 10.533 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.962 13.847 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.770 13.525 11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.426 12.140 10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.083 12.528 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.152 12.362 8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.098 14.821 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.883 15.064 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.811 13.563 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.067 13.782 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.754 15.470 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.223 16.196 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.945 15.983 8.967 1.00 0.00 H new ATOM 877 N ARG A 55 -4.092 12.829 9.297 1.00 0.00 N ATOM 878 CA ARG A 55 -5.476 12.514 9.752 1.00 0.00 C ATOM 879 C ARG A 55 -5.412 11.609 10.983 1.00 0.00 C ATOM 880 O ARG A 55 -4.936 10.493 10.920 1.00 0.00 O ATOM 881 CB ARG A 55 -6.230 11.785 8.634 1.00 0.00 C ATOM 882 CG ARG A 55 -6.386 12.709 7.401 1.00 0.00 C ATOM 883 CD ARG A 55 -7.763 12.500 6.764 1.00 0.00 C ATOM 884 NE ARG A 55 -7.934 11.065 6.405 1.00 0.00 N ATOM 885 CZ ARG A 55 -9.123 10.596 6.142 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.161 11.386 6.190 1.00 0.00 N ATOM 887 NH2 ARG A 55 -9.273 9.337 5.828 1.00 0.00 N ATOM 0 H ARG A 55 -3.752 12.263 8.519 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.994 13.440 10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.692 10.880 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.212 11.474 8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.268 13.751 7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.603 12.495 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.546 12.808 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.862 13.122 5.875 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.122 10.449 6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.043 12.370 6.433 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.091 11.020 5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.461 8.721 5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.202 8.970 5.622 1.00 0.00 H new ATOM 901 N ASP A 56 -5.885 12.078 12.105 1.00 0.00 N ATOM 902 CA ASP A 56 -5.847 11.237 13.334 1.00 0.00 C ATOM 903 C ASP A 56 -6.439 9.861 13.025 1.00 0.00 C ATOM 904 O ASP A 56 -7.276 9.715 12.158 1.00 0.00 O ATOM 905 CB ASP A 56 -6.660 11.909 14.443 1.00 0.00 C ATOM 906 CG ASP A 56 -6.538 11.092 15.730 1.00 0.00 C ATOM 907 OD1 ASP A 56 -7.071 9.995 15.765 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.914 11.577 16.659 1.00 0.00 O ATOM 0 H ASP A 56 -6.295 13.004 12.224 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.815 11.123 13.665 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.300 12.924 14.609 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.706 11.986 14.146 1.00 0.00 H new ATOM 913 N ALA A 57 -6.007 8.851 13.727 1.00 0.00 N ATOM 914 CA ALA A 57 -6.540 7.484 13.475 1.00 0.00 C ATOM 915 C ALA A 57 -6.038 6.548 14.572 1.00 0.00 C ATOM 916 O ALA A 57 -5.063 6.832 15.239 1.00 0.00 O ATOM 917 CB ALA A 57 -6.040 6.986 12.113 1.00 0.00 C ATOM 0 H ALA A 57 -5.306 8.914 14.466 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.630 7.505 13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.429 5.985 11.926 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.385 7.661 11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.950 6.957 12.114 1.00 0.00 H new ATOM 923 N ILE A 58 -6.677 5.428 14.759 1.00 0.00 N ATOM 924 CA ILE A 58 -6.201 4.494 15.803 1.00 0.00 C ATOM 925 C ILE A 58 -4.929 3.831 15.303 1.00 0.00 C ATOM 926 O ILE A 58 -4.791 3.529 14.134 1.00 0.00 O ATOM 927 CB ILE A 58 -7.258 3.422 16.083 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.394 2.485 14.865 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.597 4.090 16.366 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.665 1.624 14.976 1.00 0.00 C ATOM 0 H ILE A 58 -7.500 5.125 14.238 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.012 5.042 16.726 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.953 2.836 16.950 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.428 3.075 13.949 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.518 1.840 14.797 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.349 3.327 16.565 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.502 4.742 17.235 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.899 4.680 15.501 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.740 0.971 14.106 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.616 1.018 15.881 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.541 2.272 15.020 1.00 0.00 H new ATOM 942 N SER A 59 -3.998 3.602 16.172 1.00 0.00 N ATOM 943 CA SER A 59 -2.732 2.957 15.748 1.00 0.00 C ATOM 944 C SER A 59 -3.043 1.732 14.894 1.00 0.00 C ATOM 945 O SER A 59 -4.056 1.086 15.061 1.00 0.00 O ATOM 946 CB SER A 59 -1.961 2.541 16.993 1.00 0.00 C ATOM 947 OG SER A 59 -2.340 1.222 17.362 1.00 0.00 O ATOM 0 H SER A 59 -4.057 3.834 17.164 1.00 0.00 H new ATOM 0 HA SER A 59 -2.134 3.652 15.158 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.889 2.583 16.802 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.167 3.233 17.810 1.00 0.00 H new ATOM 0 HG SER A 59 -2.718 1.231 18.266 1.00 0.00 H new ATOM 953 N LEU A 60 -2.182 1.412 13.974 1.00 0.00 N ATOM 954 CA LEU A 60 -2.431 0.231 13.106 1.00 0.00 C ATOM 955 C LEU A 60 -2.834 -0.958 13.983 1.00 0.00 C ATOM 956 O LEU A 60 -3.847 -1.594 13.766 1.00 0.00 O ATOM 957 CB LEU A 60 -1.137 -0.096 12.333 1.00 0.00 C ATOM 958 CG LEU A 60 -1.447 -0.816 10.998 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.294 -0.595 10.008 1.00 0.00 C ATOM 960 CD2 LEU A 60 -1.610 -2.317 11.243 1.00 0.00 C ATOM 0 H LEU A 60 -1.316 1.917 13.785 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.233 0.440 12.399 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.587 0.824 12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.493 -0.725 12.947 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.370 -0.409 10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.517 -1.104 9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.174 0.472 9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.628 -0.996 10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.828 -2.818 10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.688 -2.719 11.663 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.430 -2.485 11.941 1.00 0.00 H new ATOM 972 N ARG A 61 -2.034 -1.266 14.965 1.00 0.00 N ATOM 973 CA ARG A 61 -2.343 -2.416 15.856 1.00 0.00 C ATOM 974 C ARG A 61 -3.822 -2.386 16.266 1.00 0.00 C ATOM 975 O ARG A 61 -4.436 -3.419 16.449 1.00 0.00 O ATOM 976 CB ARG A 61 -1.438 -2.343 17.091 1.00 0.00 C ATOM 977 CG ARG A 61 0.008 -2.769 16.712 1.00 0.00 C ATOM 978 CD ARG A 61 0.242 -4.239 17.071 1.00 0.00 C ATOM 979 NE ARG A 61 1.415 -4.773 16.315 1.00 0.00 N ATOM 980 CZ ARG A 61 1.996 -5.872 16.712 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.560 -6.492 17.775 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.012 -6.350 16.048 1.00 0.00 N ATOM 0 H ARG A 61 -1.174 -0.766 15.189 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.159 -3.352 15.328 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.435 -1.329 17.491 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.825 -2.994 17.875 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.171 -2.618 15.645 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.728 -2.141 17.236 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.416 -4.336 18.143 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.648 -4.824 16.838 1.00 0.00 H new ATOM 0 HE ARG A 61 1.760 -4.280 15.491 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.766 -6.117 18.294 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.013 -7.351 18.086 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.353 -5.865 15.218 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.466 -7.209 16.359 1.00 0.00 H new ATOM 996 N GLU A 62 -4.417 -1.223 16.386 1.00 0.00 N ATOM 997 CA GLU A 62 -5.858 -1.173 16.751 1.00 0.00 C ATOM 998 C GLU A 62 -6.678 -1.481 15.496 1.00 0.00 C ATOM 999 O GLU A 62 -7.755 -2.043 15.565 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.202 0.216 17.300 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.795 0.309 18.774 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.753 -0.532 19.620 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -7.782 -0.009 20.012 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.440 -1.687 19.861 1.00 0.00 O ATOM 0 H GLU A 62 -3.968 -0.318 16.248 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.086 -1.907 17.524 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.686 0.983 16.722 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.271 0.403 17.196 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.772 -0.045 18.903 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.817 1.348 19.104 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.158 -1.147 14.342 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.887 -1.453 13.079 1.00 0.00 C ATOM 1013 C LYS A 63 -6.814 -2.958 12.844 1.00 0.00 C ATOM 1014 O LYS A 63 -7.799 -3.605 12.544 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.229 -0.715 11.908 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.343 0.800 12.123 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.157 1.533 10.790 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.384 3.035 10.991 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.635 3.678 9.672 1.00 0.00 N ATOM 0 H LYS A 63 -5.261 -0.676 14.222 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.925 -1.131 13.155 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.181 -1.003 11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.710 -0.997 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.317 1.043 12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.591 1.132 12.838 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.154 1.356 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.857 1.145 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.232 3.200 11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.513 3.485 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.906 4.672 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.771 3.635 9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.404 3.177 9.182 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.649 -3.521 13.005 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.496 -4.987 12.819 1.00 0.00 C ATOM 1035 C ILE A 64 -6.375 -5.690 13.860 1.00 0.00 C ATOM 1036 O ILE A 64 -7.007 -6.691 13.587 1.00 0.00 O ATOM 1037 CB ILE A 64 -4.007 -5.360 13.009 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.275 -5.200 11.672 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.850 -6.810 13.486 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.761 -5.223 11.895 1.00 0.00 C ATOM 0 H ILE A 64 -4.794 -3.025 13.258 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.804 -5.296 11.820 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.584 -4.698 13.765 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.563 -6.003 10.993 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.566 -4.262 11.199 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.792 -7.040 13.610 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.363 -6.937 14.440 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.284 -7.485 12.748 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.251 -5.109 10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.478 -4.405 12.557 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.474 -6.172 12.348 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.413 -5.163 15.051 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.240 -5.782 16.122 1.00 0.00 C ATOM 1054 C ALA A 65 -8.701 -5.869 15.677 1.00 0.00 C ATOM 1055 O ALA A 65 -9.417 -6.768 16.063 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.152 -4.930 17.390 1.00 0.00 C ATOM 0 H ALA A 65 -5.903 -4.325 15.330 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.865 -6.786 16.321 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.758 -5.383 18.175 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.114 -4.873 17.719 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.521 -3.926 17.180 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.155 -4.943 14.874 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.579 -4.986 14.429 1.00 0.00 C ATOM 1064 C GLU A 66 -10.770 -6.130 13.438 1.00 0.00 C ATOM 1065 O GLU A 66 -11.806 -6.761 13.395 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.954 -3.668 13.752 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.045 -2.558 14.802 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.575 -1.279 14.150 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -10.834 -0.671 13.397 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.714 -0.931 14.418 1.00 0.00 O ATOM 0 H GLU A 66 -8.606 -4.164 14.509 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.218 -5.141 15.299 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.209 -3.410 12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.908 -3.772 13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.704 -2.865 15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.063 -2.376 15.240 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.777 -6.403 12.644 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.904 -7.509 11.659 1.00 0.00 C ATOM 1079 C LEU A 67 -10.032 -8.830 12.416 1.00 0.00 C ATOM 1080 O LEU A 67 -10.814 -9.690 12.063 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.661 -7.540 10.764 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.297 -6.114 10.340 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -7.082 -6.155 9.410 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.482 -5.480 9.604 1.00 0.00 C ATOM 0 H LEU A 67 -8.884 -5.910 12.634 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.786 -7.356 11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.827 -7.995 11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.849 -8.155 9.884 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.060 -5.521 11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.821 -5.141 9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.239 -6.606 9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.320 -6.748 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.222 -4.465 9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.720 -6.072 8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.348 -5.452 10.265 1.00 0.00 H new ATOM 1096 N GLN A 68 -9.270 -8.991 13.462 1.00 0.00 N ATOM 1097 CA GLN A 68 -9.341 -10.248 14.258 1.00 0.00 C ATOM 1098 C GLN A 68 -10.479 -10.147 15.279 1.00 0.00 C ATOM 1099 O GLN A 68 -10.808 -11.102 15.953 1.00 0.00 O ATOM 1100 CB GLN A 68 -8.011 -10.450 14.990 1.00 0.00 C ATOM 1101 CG GLN A 68 -6.939 -10.896 13.991 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.551 -10.701 14.607 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.927 -11.649 15.038 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -5.041 -9.501 14.666 1.00 0.00 N ATOM 0 H GLN A 68 -8.598 -8.303 13.801 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.529 -11.093 13.596 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.707 -9.523 15.476 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.126 -11.198 15.774 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.087 -11.943 13.727 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.024 -10.320 13.070 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.566 -8.705 14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.117 -9.359 15.075 1.00 0.00 H new