USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 Single : A 1 GLY N :NH3+ 176:sc= 0.00526 (180deg=0.00353) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0025 USER MOD Single : A 6 SER OG : rot 4:sc= 0.543 USER MOD Single : A 9 SER OG : rot 180:sc= -0.119 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.93! C(o=-4.9!,f=-5.5!) USER MOD Single : A 23 GLN : amide:sc= -2.94! X(o=-2.9!,f=-3.4) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.28 F(o=-1.2,f=-0.28) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= 0.651 (180deg=0.159) USER MOD Single : A 39 GLN : amide:sc= -0.0819 K(o=-0.082,f=-1.9!) USER MOD Single : A 41 SER OG : rot -52:sc= 0.549 USER MOD Single : A 42 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc=0.000648 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.932 K(o=-0.93,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc=-0.00335 (180deg=-0.0768) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.810 7.923 -32.222 1.00 0.00 N ATOM 2 CA GLY A 1 -2.540 9.000 -33.157 1.00 0.00 C ATOM 3 C GLY A 1 -3.776 9.424 -33.926 1.00 0.00 C ATOM 4 O GLY A 1 -4.407 10.428 -33.595 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.922 7.624 -31.771 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.474 8.254 -31.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.228 7.118 -32.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.142 9.857 -32.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.770 8.682 -33.860 1.00 0.00 H new ATOM 8 N SER A 2 -4.123 8.657 -34.955 1.00 0.00 N ATOM 9 CA SER A 2 -5.289 8.962 -35.776 1.00 0.00 C ATOM 10 C SER A 2 -6.579 8.712 -35.002 1.00 0.00 C ATOM 11 O SER A 2 -7.483 9.547 -34.994 1.00 0.00 O ATOM 12 CB SER A 2 -5.275 8.118 -37.052 1.00 0.00 C ATOM 13 OG SER A 2 -4.132 8.404 -37.840 1.00 0.00 O ATOM 0 H SER A 2 -3.614 7.820 -35.240 1.00 0.00 H new ATOM 0 HA SER A 2 -5.247 10.017 -36.046 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.286 7.060 -36.792 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.178 8.313 -37.631 1.00 0.00 H new ATOM 0 HG SER A 2 -4.145 7.851 -38.649 1.00 0.00 H new ATOM 19 N SER A 3 -6.657 7.555 -34.352 1.00 0.00 N ATOM 20 CA SER A 3 -7.838 7.191 -33.577 1.00 0.00 C ATOM 21 C SER A 3 -8.043 8.157 -32.414 1.00 0.00 C ATOM 22 O SER A 3 -9.151 8.639 -32.180 1.00 0.00 O ATOM 23 CB SER A 3 -7.708 5.761 -33.050 1.00 0.00 C ATOM 24 OG SER A 3 -7.614 4.831 -34.115 1.00 0.00 O ATOM 0 H SER A 3 -5.916 6.854 -34.347 1.00 0.00 H new ATOM 0 HA SER A 3 -8.706 7.251 -34.234 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.825 5.683 -32.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.570 5.520 -32.428 1.00 0.00 H new ATOM 0 HG SER A 3 -7.530 3.925 -33.752 1.00 0.00 H new ATOM 30 N GLY A 4 -6.965 8.437 -31.687 1.00 0.00 N ATOM 31 CA GLY A 4 -7.047 9.344 -30.557 1.00 0.00 C ATOM 32 C GLY A 4 -6.093 8.967 -29.441 1.00 0.00 C ATOM 33 O GLY A 4 -4.905 8.745 -29.679 1.00 0.00 O ATOM 0 H GLY A 4 -6.037 8.052 -31.861 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.827 10.358 -30.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.067 9.350 -30.173 1.00 0.00 H new ATOM 37 N SER A 5 -6.612 8.895 -28.220 1.00 0.00 N ATOM 38 CA SER A 5 -5.797 8.548 -27.062 1.00 0.00 C ATOM 39 C SER A 5 -6.007 7.089 -26.667 1.00 0.00 C ATOM 40 O SER A 5 -7.075 6.521 -26.894 1.00 0.00 O ATOM 41 CB SER A 5 -6.134 9.461 -25.882 1.00 0.00 C ATOM 42 OG SER A 5 -5.525 8.999 -24.689 1.00 0.00 O ATOM 0 H SER A 5 -7.594 9.072 -28.007 1.00 0.00 H new ATOM 0 HA SER A 5 -4.750 8.686 -27.332 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.798 10.476 -26.096 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.215 9.504 -25.749 1.00 0.00 H new ATOM 0 HG SER A 5 -5.754 9.601 -23.950 1.00 0.00 H new ATOM 48 N SER A 6 -4.979 6.489 -26.076 1.00 0.00 N ATOM 49 CA SER A 6 -5.048 5.095 -25.653 1.00 0.00 C ATOM 50 C SER A 6 -4.068 4.824 -24.514 1.00 0.00 C ATOM 51 O SER A 6 -2.856 4.779 -24.721 1.00 0.00 O ATOM 52 CB SER A 6 -4.748 4.167 -26.831 1.00 0.00 C ATOM 53 OG SER A 6 -5.767 4.243 -27.812 1.00 0.00 O ATOM 0 H SER A 6 -4.089 6.946 -25.879 1.00 0.00 H new ATOM 0 HA SER A 6 -6.058 4.899 -25.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.790 4.437 -27.276 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.657 3.141 -26.475 1.00 0.00 H new ATOM 0 HG SER A 6 -6.421 4.925 -27.552 1.00 0.00 H new ATOM 59 N GLY A 7 -4.604 4.643 -23.311 1.00 0.00 N ATOM 60 CA GLY A 7 -3.765 4.378 -22.157 1.00 0.00 C ATOM 61 C GLY A 7 -2.921 3.130 -22.328 1.00 0.00 C ATOM 62 O GLY A 7 -3.424 2.012 -22.218 1.00 0.00 O ATOM 0 H GLY A 7 -5.604 4.675 -23.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.112 5.233 -21.982 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.393 4.270 -21.272 1.00 0.00 H new ATOM 66 N ARG A 8 -1.634 3.321 -22.600 1.00 0.00 N ATOM 67 CA ARG A 8 -0.719 2.202 -22.790 1.00 0.00 C ATOM 68 C ARG A 8 0.081 1.932 -21.519 1.00 0.00 C ATOM 69 O ARG A 8 0.179 0.792 -21.065 1.00 0.00 O ATOM 70 CB ARG A 8 0.233 2.485 -23.953 1.00 0.00 C ATOM 71 CG ARG A 8 -0.464 2.582 -25.301 1.00 0.00 C ATOM 72 CD ARG A 8 0.526 2.851 -26.422 1.00 0.00 C ATOM 73 NE ARG A 8 1.041 4.217 -26.382 1.00 0.00 N ATOM 74 CZ ARG A 8 2.085 4.588 -25.648 1.00 0.00 C ATOM 75 NH1 ARG A 8 2.721 3.699 -24.897 1.00 0.00 N ATOM 76 NH2 ARG A 8 2.494 5.850 -25.664 1.00 0.00 N ATOM 0 H ARG A 8 -1.202 4.240 -22.694 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.311 1.317 -23.021 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.762 3.418 -23.759 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.984 1.696 -23.997 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.000 1.654 -25.502 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.207 3.379 -25.271 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.356 2.148 -26.349 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.043 2.674 -27.383 1.00 0.00 H new ATOM 0 HE ARG A 8 0.574 4.925 -26.948 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.409 2.728 -24.882 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.522 3.986 -24.335 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.007 6.537 -26.240 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.295 6.134 -25.100 1.00 0.00 H new ATOM 90 N SER A 9 0.651 2.989 -20.949 1.00 0.00 N ATOM 91 CA SER A 9 1.445 2.866 -19.732 1.00 0.00 C ATOM 92 C SER A 9 0.773 1.925 -18.737 1.00 0.00 C ATOM 93 O SER A 9 1.385 0.969 -18.259 1.00 0.00 O ATOM 94 CB SER A 9 1.653 4.240 -19.092 1.00 0.00 C ATOM 95 OG SER A 9 0.412 4.864 -18.812 1.00 0.00 O ATOM 0 H SER A 9 0.578 3.940 -21.310 1.00 0.00 H new ATOM 0 HA SER A 9 2.415 2.448 -20.002 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.226 4.133 -18.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.239 4.871 -19.760 1.00 0.00 H new ATOM 0 HG SER A 9 0.571 5.740 -18.402 1.00 0.00 H new ATOM 101 N SER A 10 -0.490 2.202 -18.430 1.00 0.00 N ATOM 102 CA SER A 10 -1.245 1.383 -17.489 1.00 0.00 C ATOM 103 C SER A 10 -1.870 0.183 -18.194 1.00 0.00 C ATOM 104 O SER A 10 -2.962 0.277 -18.753 1.00 0.00 O ATOM 105 CB SER A 10 -2.336 2.218 -16.815 1.00 0.00 C ATOM 106 OG SER A 10 -2.882 1.537 -15.699 1.00 0.00 O ATOM 0 H SER A 10 -1.012 2.987 -18.819 1.00 0.00 H new ATOM 0 HA SER A 10 -0.555 1.017 -16.728 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.921 3.174 -16.495 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.126 2.438 -17.533 1.00 0.00 H new ATOM 0 HG SER A 10 -3.576 2.092 -15.285 1.00 0.00 H new ATOM 112 N ARG A 11 -1.168 -0.946 -18.161 1.00 0.00 N ATOM 113 CA ARG A 11 -1.652 -2.165 -18.797 1.00 0.00 C ATOM 114 C ARG A 11 -2.635 -2.898 -17.889 1.00 0.00 C ATOM 115 O ARG A 11 -3.777 -3.158 -18.272 1.00 0.00 O ATOM 116 CB ARG A 11 -0.480 -3.084 -19.146 1.00 0.00 C ATOM 117 CG ARG A 11 -0.889 -4.328 -19.916 1.00 0.00 C ATOM 118 CD ARG A 11 -0.881 -4.082 -21.417 1.00 0.00 C ATOM 119 NE ARG A 11 -0.703 -5.319 -22.174 1.00 0.00 N ATOM 120 CZ ARG A 11 -1.699 -6.145 -22.475 1.00 0.00 C ATOM 121 NH1 ARG A 11 -2.936 -5.867 -22.087 1.00 0.00 N ATOM 122 NH2 ARG A 11 -1.458 -7.251 -23.167 1.00 0.00 N ATOM 0 H ARG A 11 -0.263 -1.041 -17.701 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.170 -1.885 -19.714 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.246 -2.524 -19.736 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.021 -3.385 -18.226 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.209 -5.145 -19.677 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.885 -4.640 -19.603 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.817 -3.608 -21.712 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.080 -3.386 -21.666 1.00 0.00 H new ATOM 0 HE ARG A 11 0.237 -5.561 -22.488 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.125 -5.017 -21.556 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.699 -6.503 -22.320 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.508 -7.467 -23.468 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.223 -7.885 -23.398 1.00 0.00 H new ATOM 136 N THR A 12 -2.184 -3.231 -16.684 1.00 0.00 N ATOM 137 CA THR A 12 -3.022 -3.936 -15.722 1.00 0.00 C ATOM 138 C THR A 12 -3.359 -3.046 -14.531 1.00 0.00 C ATOM 139 O THR A 12 -2.481 -2.681 -13.749 1.00 0.00 O ATOM 140 CB THR A 12 -2.336 -5.218 -15.213 1.00 0.00 C ATOM 141 OG1 THR A 12 -1.880 -6.002 -16.320 1.00 0.00 O ATOM 142 CG2 THR A 12 -3.291 -6.040 -14.361 1.00 0.00 C ATOM 0 H THR A 12 -1.243 -3.024 -16.351 1.00 0.00 H new ATOM 0 HA THR A 12 -3.941 -4.207 -16.242 1.00 0.00 H new ATOM 0 HB THR A 12 -1.483 -4.929 -14.599 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.444 -6.814 -15.988 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.785 -6.940 -14.013 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.613 -5.450 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.160 -6.320 -14.956 1.00 0.00 H new ATOM 150 N ARG A 13 -4.636 -2.702 -14.399 1.00 0.00 N ATOM 151 CA ARG A 13 -5.089 -1.854 -13.302 1.00 0.00 C ATOM 152 C ARG A 13 -5.606 -2.697 -12.141 1.00 0.00 C ATOM 153 O ARG A 13 -6.249 -3.727 -12.346 1.00 0.00 O ATOM 154 CB ARG A 13 -6.186 -0.903 -13.784 1.00 0.00 C ATOM 155 CG ARG A 13 -7.509 -1.594 -14.069 1.00 0.00 C ATOM 156 CD ARG A 13 -8.671 -0.614 -14.023 1.00 0.00 C ATOM 157 NE ARG A 13 -8.900 0.025 -15.316 1.00 0.00 N ATOM 158 CZ ARG A 13 -9.499 1.201 -15.459 1.00 0.00 C ATOM 159 NH1 ARG A 13 -9.928 1.864 -14.394 1.00 0.00 N ATOM 160 NH2 ARG A 13 -9.671 1.717 -16.670 1.00 0.00 N ATOM 0 H ARG A 13 -5.375 -2.997 -15.037 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.238 -1.269 -12.953 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.344 -0.132 -13.030 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.847 -0.399 -14.689 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.470 -2.067 -15.050 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.671 -2.387 -13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.575 -1.138 -13.713 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.471 0.150 -13.272 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.582 -0.459 -16.156 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.798 1.471 -13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.388 2.767 -14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.343 1.210 -17.492 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.131 2.621 -16.779 1.00 0.00 H new ATOM 174 N PHE A 14 -5.320 -2.254 -10.921 1.00 0.00 N ATOM 175 CA PHE A 14 -5.755 -2.969 -9.727 1.00 0.00 C ATOM 176 C PHE A 14 -6.893 -2.225 -9.032 1.00 0.00 C ATOM 177 O PHE A 14 -7.122 -1.042 -9.284 1.00 0.00 O ATOM 178 CB PHE A 14 -4.583 -3.149 -8.760 1.00 0.00 C ATOM 179 CG PHE A 14 -3.299 -3.531 -9.439 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.499 -2.567 -10.030 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.893 -4.855 -9.487 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.317 -2.915 -10.655 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.711 -5.209 -10.110 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.923 -4.238 -10.696 1.00 0.00 C ATOM 0 H PHE A 14 -4.789 -1.404 -10.733 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.119 -3.950 -10.033 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.431 -2.221 -8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.840 -3.915 -8.029 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.803 -1.531 -10.002 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.507 -5.619 -9.033 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.702 -2.153 -11.111 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.404 -6.244 -10.138 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.000 -4.513 -11.185 1.00 0.00 H new ATOM 194 N THR A 15 -7.603 -2.928 -8.156 1.00 0.00 N ATOM 195 CA THR A 15 -8.717 -2.337 -7.426 1.00 0.00 C ATOM 196 C THR A 15 -8.386 -2.184 -5.946 1.00 0.00 C ATOM 197 O THR A 15 -7.563 -2.924 -5.404 1.00 0.00 O ATOM 198 CB THR A 15 -9.996 -3.185 -7.568 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.082 -2.554 -6.881 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.782 -4.585 -7.012 1.00 0.00 C ATOM 0 H THR A 15 -7.426 -3.908 -7.935 1.00 0.00 H new ATOM 0 HA THR A 15 -8.892 -1.353 -7.861 1.00 0.00 H new ATOM 0 HB THR A 15 -10.236 -3.265 -8.628 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.891 -3.099 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.698 -5.165 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.975 -5.074 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.519 -4.521 -5.956 1.00 0.00 H new ATOM 208 N ASP A 16 -9.030 -1.222 -5.296 1.00 0.00 N ATOM 209 CA ASP A 16 -8.805 -0.973 -3.877 1.00 0.00 C ATOM 210 C ASP A 16 -8.534 -2.277 -3.133 1.00 0.00 C ATOM 211 O ASP A 16 -7.623 -2.356 -2.309 1.00 0.00 O ATOM 212 CB ASP A 16 -10.012 -0.262 -3.264 1.00 0.00 C ATOM 213 CG ASP A 16 -10.351 1.029 -3.983 1.00 0.00 C ATOM 214 OD1 ASP A 16 -10.488 0.998 -5.224 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.479 2.070 -3.305 1.00 0.00 O ATOM 0 H ASP A 16 -9.713 -0.601 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.929 -0.332 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.875 -0.927 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.809 -0.048 -2.215 1.00 0.00 H new ATOM 220 N TYR A 17 -9.333 -3.297 -3.428 1.00 0.00 N ATOM 221 CA TYR A 17 -9.182 -4.596 -2.785 1.00 0.00 C ATOM 222 C TYR A 17 -7.761 -5.126 -2.954 1.00 0.00 C ATOM 223 O TYR A 17 -7.142 -5.589 -1.996 1.00 0.00 O ATOM 224 CB TYR A 17 -10.183 -5.596 -3.366 1.00 0.00 C ATOM 225 CG TYR A 17 -9.743 -7.037 -3.241 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.179 -7.511 -2.063 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.889 -7.923 -4.300 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.774 -8.827 -1.944 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.489 -9.241 -4.190 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.932 -9.688 -3.010 1.00 0.00 C ATOM 231 OH TYR A 17 -8.530 -10.999 -2.897 1.00 0.00 O ATOM 0 H TYR A 17 -10.091 -3.249 -4.108 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.380 -4.471 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.141 -5.473 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.345 -5.365 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.055 -6.840 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.323 -7.576 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.336 -9.179 -1.022 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.612 -9.917 -5.023 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.712 -11.471 -3.736 1.00 0.00 H new ATOM 241 N GLN A 18 -7.251 -5.054 -4.179 1.00 0.00 N ATOM 242 CA GLN A 18 -5.904 -5.526 -4.474 1.00 0.00 C ATOM 243 C GLN A 18 -4.858 -4.533 -3.978 1.00 0.00 C ATOM 244 O GLN A 18 -3.903 -4.909 -3.297 1.00 0.00 O ATOM 245 CB GLN A 18 -5.738 -5.752 -5.978 1.00 0.00 C ATOM 246 CG GLN A 18 -6.746 -6.728 -6.562 1.00 0.00 C ATOM 247 CD GLN A 18 -6.202 -7.484 -7.758 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.689 -6.886 -8.704 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.311 -8.807 -7.721 1.00 0.00 N ATOM 0 H GLN A 18 -7.750 -4.673 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.755 -6.472 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.830 -4.796 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.732 -6.123 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.045 -7.440 -5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.643 -6.184 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.744 -9.261 -6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.962 -9.369 -8.497 1.00 0.00 H new ATOM 258 N LEU A 19 -5.044 -3.264 -4.324 1.00 0.00 N ATOM 259 CA LEU A 19 -4.116 -2.216 -3.915 1.00 0.00 C ATOM 260 C LEU A 19 -3.962 -2.188 -2.398 1.00 0.00 C ATOM 261 O LEU A 19 -2.901 -1.838 -1.878 1.00 0.00 O ATOM 262 CB LEU A 19 -4.601 -0.854 -4.415 1.00 0.00 C ATOM 263 CG LEU A 19 -4.475 -0.607 -5.918 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.241 0.644 -6.320 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.012 -0.490 -6.319 1.00 0.00 C ATOM 0 H LEU A 19 -5.829 -2.936 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.144 -2.433 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.648 -0.738 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.043 -0.078 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.908 -1.458 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.140 0.804 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.295 0.522 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.838 1.505 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.942 -0.314 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.554 0.342 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.491 -1.414 -6.068 1.00 0.00 H new ATOM 277 N ARG A 20 -5.025 -2.559 -1.693 1.00 0.00 N ATOM 278 CA ARG A 20 -5.007 -2.578 -0.235 1.00 0.00 C ATOM 279 C ARG A 20 -3.990 -3.590 0.284 1.00 0.00 C ATOM 280 O ARG A 20 -3.194 -3.287 1.172 1.00 0.00 O ATOM 281 CB ARG A 20 -6.398 -2.911 0.309 1.00 0.00 C ATOM 282 CG ARG A 20 -6.506 -2.787 1.820 1.00 0.00 C ATOM 283 CD ARG A 20 -6.445 -1.335 2.266 1.00 0.00 C ATOM 284 NE ARG A 20 -7.749 -0.683 2.188 1.00 0.00 N ATOM 285 CZ ARG A 20 -8.670 -0.765 3.142 1.00 0.00 C ATOM 286 NH1 ARG A 20 -8.430 -1.468 4.241 1.00 0.00 N ATOM 287 NH2 ARG A 20 -9.834 -0.144 2.999 1.00 0.00 N ATOM 0 H ARG A 20 -5.910 -2.851 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.716 -1.587 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.129 -2.248 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.659 -3.928 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.442 -3.233 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.698 -3.347 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.076 -1.286 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.732 -0.794 1.644 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.965 -0.135 1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.537 -1.947 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.139 -1.529 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.023 0.397 2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.540 -0.208 3.733 1.00 0.00 H new ATOM 301 N VAL A 21 -4.024 -4.795 -0.277 1.00 0.00 N ATOM 302 CA VAL A 21 -3.106 -5.853 0.128 1.00 0.00 C ATOM 303 C VAL A 21 -1.690 -5.568 -0.360 1.00 0.00 C ATOM 304 O VAL A 21 -0.716 -5.797 0.358 1.00 0.00 O ATOM 305 CB VAL A 21 -3.556 -7.224 -0.410 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.580 -8.311 0.013 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.965 -7.546 0.067 1.00 0.00 C ATOM 0 H VAL A 21 -4.677 -5.063 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.114 -5.879 1.218 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.565 -7.182 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.915 -9.272 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.590 -8.085 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.535 -8.356 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.268 -8.518 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.984 -7.569 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.654 -6.781 -0.291 1.00 0.00 H new ATOM 317 N LEU A 22 -1.583 -5.067 -1.586 1.00 0.00 N ATOM 318 CA LEU A 22 -0.285 -4.749 -2.171 1.00 0.00 C ATOM 319 C LEU A 22 0.375 -3.588 -1.436 1.00 0.00 C ATOM 320 O LEU A 22 1.577 -3.610 -1.173 1.00 0.00 O ATOM 321 CB LEU A 22 -0.443 -4.405 -3.654 1.00 0.00 C ATOM 322 CG LEU A 22 -0.912 -5.544 -4.560 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.361 -5.002 -5.908 1.00 0.00 C ATOM 324 CD2 LEU A 22 0.195 -6.573 -4.740 1.00 0.00 C ATOM 0 H LEU A 22 -2.379 -4.872 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 22 0.354 -5.626 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.152 -3.582 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.515 -4.042 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.762 -6.034 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.691 -5.826 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.185 -4.303 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.529 -4.487 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.157 -7.376 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.065 -6.096 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.471 -6.984 -3.769 1.00 0.00 H new ATOM 336 N GLN A 23 -0.420 -2.576 -1.104 1.00 0.00 N ATOM 337 CA GLN A 23 0.087 -1.406 -0.397 1.00 0.00 C ATOM 338 C GLN A 23 0.352 -1.729 1.070 1.00 0.00 C ATOM 339 O GLN A 23 1.340 -1.274 1.647 1.00 0.00 O ATOM 340 CB GLN A 23 -0.906 -0.247 -0.505 1.00 0.00 C ATOM 341 CG GLN A 23 -0.263 1.122 -0.353 1.00 0.00 C ATOM 342 CD GLN A 23 0.980 1.281 -1.206 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.908 1.734 -2.349 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.129 0.908 -0.655 1.00 0.00 N ATOM 0 H GLN A 23 -1.418 -2.543 -1.313 1.00 0.00 H new ATOM 0 HA GLN A 23 1.028 -1.112 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.408 -0.298 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.674 -0.365 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.986 1.891 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.004 1.283 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.142 0.538 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.998 0.992 -1.182 1.00 0.00 H new ATOM 353 N ASP A 24 -0.537 -2.515 1.667 1.00 0.00 N ATOM 354 CA ASP A 24 -0.399 -2.900 3.067 1.00 0.00 C ATOM 355 C ASP A 24 0.879 -3.705 3.286 1.00 0.00 C ATOM 356 O ASP A 24 1.596 -3.496 4.265 1.00 0.00 O ATOM 357 CB ASP A 24 -1.613 -3.715 3.516 1.00 0.00 C ATOM 358 CG ASP A 24 -1.512 -4.154 4.963 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.974 -3.380 5.783 1.00 0.00 O ATOM 360 OD2 ASP A 24 -1.971 -5.272 5.277 1.00 0.00 O ATOM 0 H ASP A 24 -1.361 -2.898 1.204 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.341 -1.990 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.516 -3.120 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.713 -4.594 2.879 1.00 0.00 H new ATOM 365 N PHE A 25 1.156 -4.626 2.369 1.00 0.00 N ATOM 366 CA PHE A 25 2.346 -5.464 2.463 1.00 0.00 C ATOM 367 C PHE A 25 3.607 -4.652 2.178 1.00 0.00 C ATOM 368 O PHE A 25 4.687 -4.966 2.678 1.00 0.00 O ATOM 369 CB PHE A 25 2.249 -6.636 1.485 1.00 0.00 C ATOM 370 CG PHE A 25 3.288 -7.696 1.715 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.626 -7.441 1.457 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.928 -8.948 2.187 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.585 -8.413 1.667 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.883 -9.924 2.400 1.00 0.00 C ATOM 375 CZ PHE A 25 5.213 -9.657 2.138 1.00 0.00 C ATOM 0 H PHE A 25 0.573 -4.811 1.553 1.00 0.00 H new ATOM 0 HA PHE A 25 2.407 -5.852 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.259 -7.085 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.346 -6.258 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.922 -6.470 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.890 -9.164 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.624 -8.200 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.590 -10.895 2.771 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.960 -10.419 2.301 1.00 0.00 H new ATOM 385 N PHE A 26 3.460 -3.607 1.370 1.00 0.00 N ATOM 386 CA PHE A 26 4.586 -2.751 1.016 1.00 0.00 C ATOM 387 C PHE A 26 4.981 -1.859 2.189 1.00 0.00 C ATOM 388 O PHE A 26 6.152 -1.786 2.561 1.00 0.00 O ATOM 389 CB PHE A 26 4.236 -1.889 -0.199 1.00 0.00 C ATOM 390 CG PHE A 26 5.292 -0.876 -0.539 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.429 0.279 0.214 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.146 -1.078 -1.611 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.399 1.214 -0.097 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.118 -0.147 -1.926 1.00 0.00 C ATOM 395 CZ PHE A 26 7.245 1.000 -1.168 1.00 0.00 C ATOM 0 H PHE A 26 2.573 -3.333 0.948 1.00 0.00 H new ATOM 0 HA PHE A 26 5.433 -3.391 0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.075 -2.537 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.295 -1.372 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.771 0.451 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.051 -1.973 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.495 2.111 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.777 -0.317 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.004 1.728 -1.412 1.00 0.00 H new ATOM 405 N ASP A 27 3.995 -1.182 2.768 1.00 0.00 N ATOM 406 CA ASP A 27 4.238 -0.295 3.900 1.00 0.00 C ATOM 407 C ASP A 27 5.047 -1.004 4.982 1.00 0.00 C ATOM 408 O ASP A 27 5.815 -0.375 5.708 1.00 0.00 O ATOM 409 CB ASP A 27 2.913 0.202 4.479 1.00 0.00 C ATOM 410 CG ASP A 27 3.082 1.449 5.325 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.802 1.382 6.343 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.495 2.492 4.968 1.00 0.00 O ATOM 0 H ASP A 27 3.020 -1.231 2.472 1.00 0.00 H new ATOM 0 HA ASP A 27 4.813 0.560 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.219 0.410 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.466 -0.586 5.084 1.00 0.00 H new ATOM 417 N ALA A 28 4.866 -2.317 5.084 1.00 0.00 N ATOM 418 CA ALA A 28 5.579 -3.111 6.077 1.00 0.00 C ATOM 419 C ALA A 28 6.848 -3.717 5.487 1.00 0.00 C ATOM 420 O ALA A 28 7.905 -3.700 6.116 1.00 0.00 O ATOM 421 CB ALA A 28 4.675 -4.205 6.625 1.00 0.00 C ATOM 0 H ALA A 28 4.232 -2.853 4.491 1.00 0.00 H new ATOM 0 HA ALA A 28 5.869 -2.451 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.220 -4.790 7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.800 -3.754 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.357 -4.856 5.811 1.00 0.00 H new ATOM 427 N ASN A 29 6.735 -4.251 4.275 1.00 0.00 N ATOM 428 CA ASN A 29 7.874 -4.864 3.601 1.00 0.00 C ATOM 429 C ASN A 29 7.826 -4.597 2.100 1.00 0.00 C ATOM 430 O ASN A 29 6.843 -4.920 1.433 1.00 0.00 O ATOM 431 CB ASN A 29 7.897 -6.372 3.862 1.00 0.00 C ATOM 432 CG ASN A 29 9.218 -7.006 3.469 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.148 -8.113 2.740 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.287 -6.506 3.818 1.00 0.00 N flip ATOM 0 H ASN A 29 5.867 -4.272 3.740 1.00 0.00 H new ATOM 0 HA ASN A 29 8.784 -4.419 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.708 -6.558 4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.089 -6.847 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.293 -5.654 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.167 -6.944 3.547 1.00 0.00 H new ATOM 441 N ALA A 30 8.894 -4.005 1.575 1.00 0.00 N ATOM 442 CA ALA A 30 8.975 -3.696 0.153 1.00 0.00 C ATOM 443 C ALA A 30 10.138 -4.432 -0.503 1.00 0.00 C ATOM 444 O ALA A 30 10.489 -4.160 -1.652 1.00 0.00 O ATOM 445 CB ALA A 30 9.112 -2.195 -0.055 1.00 0.00 C ATOM 0 H ALA A 30 9.715 -3.730 2.114 1.00 0.00 H new ATOM 0 HA ALA A 30 8.053 -4.034 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.171 -1.979 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.246 -1.688 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.017 -1.841 0.438 1.00 0.00 H new ATOM 451 N TYR A 31 10.734 -5.363 0.233 1.00 0.00 N ATOM 452 CA TYR A 31 11.860 -6.136 -0.276 1.00 0.00 C ATOM 453 C TYR A 31 11.671 -7.624 0.002 1.00 0.00 C ATOM 454 O TYR A 31 12.601 -8.334 0.382 1.00 0.00 O ATOM 455 CB TYR A 31 13.166 -5.650 0.355 1.00 0.00 C ATOM 456 CG TYR A 31 13.375 -4.157 0.240 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.823 -3.284 1.169 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.127 -3.619 -0.797 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.011 -1.920 1.068 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.322 -2.256 -0.906 1.00 0.00 C ATOM 461 CZ TYR A 31 13.762 -1.410 0.028 1.00 0.00 C ATOM 462 OH TYR A 31 13.953 -0.052 -0.076 1.00 0.00 O ATOM 0 H TYR A 31 10.456 -5.601 1.185 1.00 0.00 H new ATOM 0 HA TYR A 31 11.909 -5.990 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.177 -5.930 1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.002 -6.163 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.236 -3.679 1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.567 -4.278 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.573 -1.256 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.910 -1.855 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 31 14.505 0.141 -0.862 1.00 0.00 H new ATOM 472 N PRO A 32 10.435 -8.108 -0.193 1.00 0.00 N ATOM 473 CA PRO A 32 10.093 -9.516 0.028 1.00 0.00 C ATOM 474 C PRO A 32 10.724 -10.437 -1.010 1.00 0.00 C ATOM 475 O PRO A 32 11.071 -10.005 -2.110 1.00 0.00 O ATOM 476 CB PRO A 32 8.567 -9.535 -0.097 1.00 0.00 C ATOM 477 CG PRO A 32 8.244 -8.365 -0.962 1.00 0.00 C ATOM 478 CD PRO A 32 9.278 -7.319 -0.646 1.00 0.00 C ATOM 0 HA PRO A 32 10.460 -9.878 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.218 -10.466 -0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.089 -9.450 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.275 -8.639 -2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.239 -7.995 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.521 -6.717 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.932 -6.633 0.127 1.00 0.00 H new ATOM 486 N LYS A 33 10.869 -11.709 -0.656 1.00 0.00 N ATOM 487 CA LYS A 33 11.457 -12.693 -1.558 1.00 0.00 C ATOM 488 C LYS A 33 10.373 -13.450 -2.319 1.00 0.00 C ATOM 489 O LYS A 33 9.184 -13.298 -2.038 1.00 0.00 O ATOM 490 CB LYS A 33 12.327 -13.678 -0.774 1.00 0.00 C ATOM 491 CG LYS A 33 13.266 -13.007 0.214 1.00 0.00 C ATOM 492 CD LYS A 33 14.583 -12.624 -0.441 1.00 0.00 C ATOM 493 CE LYS A 33 15.192 -11.393 0.213 1.00 0.00 C ATOM 494 NZ LYS A 33 14.733 -10.135 -0.439 1.00 0.00 N ATOM 0 H LYS A 33 10.587 -12.083 0.250 1.00 0.00 H new ATOM 0 HA LYS A 33 12.079 -12.162 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.681 -14.371 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.914 -14.270 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.789 -12.116 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.456 -13.679 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.282 -13.458 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.421 -12.432 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.925 -11.373 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.279 -11.454 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.521 -9.458 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.405 -10.344 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.952 -9.724 0.111 1.00 0.00 H new ATOM 508 N ASP A 34 10.791 -14.266 -3.280 1.00 0.00 N ATOM 509 CA ASP A 34 9.856 -15.048 -4.079 1.00 0.00 C ATOM 510 C ASP A 34 8.823 -15.734 -3.190 1.00 0.00 C ATOM 511 O ASP A 34 7.619 -15.630 -3.426 1.00 0.00 O ATOM 512 CB ASP A 34 10.608 -16.092 -4.907 1.00 0.00 C ATOM 513 CG ASP A 34 9.769 -16.643 -6.043 1.00 0.00 C ATOM 514 OD1 ASP A 34 8.606 -17.021 -5.792 1.00 0.00 O ATOM 515 OD2 ASP A 34 10.277 -16.698 -7.183 1.00 0.00 O ATOM 0 H ASP A 34 11.772 -14.403 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 34 9.335 -14.368 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.515 -15.645 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.919 -16.911 -4.258 1.00 0.00 H new ATOM 520 N ASP A 35 9.302 -16.435 -2.168 1.00 0.00 N ATOM 521 CA ASP A 35 8.420 -17.138 -1.244 1.00 0.00 C ATOM 522 C ASP A 35 7.314 -16.216 -0.739 1.00 0.00 C ATOM 523 O ASP A 35 6.144 -16.594 -0.711 1.00 0.00 O ATOM 524 CB ASP A 35 9.220 -17.690 -0.062 1.00 0.00 C ATOM 525 CG ASP A 35 8.612 -18.956 0.508 1.00 0.00 C ATOM 526 OD1 ASP A 35 7.372 -19.093 0.456 1.00 0.00 O ATOM 527 OD2 ASP A 35 9.376 -19.808 1.008 1.00 0.00 O ATOM 0 H ASP A 35 10.296 -16.531 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 35 7.960 -17.967 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.242 -17.893 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.276 -16.933 0.720 1.00 0.00 H new ATOM 532 N GLU A 36 7.695 -15.006 -0.342 1.00 0.00 N ATOM 533 CA GLU A 36 6.736 -14.031 0.164 1.00 0.00 C ATOM 534 C GLU A 36 5.777 -13.590 -0.939 1.00 0.00 C ATOM 535 O GLU A 36 4.559 -13.613 -0.763 1.00 0.00 O ATOM 536 CB GLU A 36 7.465 -12.815 0.738 1.00 0.00 C ATOM 537 CG GLU A 36 8.346 -13.141 1.932 1.00 0.00 C ATOM 538 CD GLU A 36 7.591 -13.086 3.246 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.394 -11.970 3.770 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.197 -14.159 3.750 1.00 0.00 O ATOM 0 H GLU A 36 8.660 -14.678 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 36 6.158 -14.505 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.078 -12.367 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.729 -12.067 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.772 -14.136 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.179 -12.439 1.966 1.00 0.00 H new ATOM 547 N PHE A 37 6.336 -13.188 -2.075 1.00 0.00 N ATOM 548 CA PHE A 37 5.532 -12.740 -3.206 1.00 0.00 C ATOM 549 C PHE A 37 4.417 -13.737 -3.510 1.00 0.00 C ATOM 550 O PHE A 37 3.310 -13.350 -3.882 1.00 0.00 O ATOM 551 CB PHE A 37 6.414 -12.551 -4.442 1.00 0.00 C ATOM 552 CG PHE A 37 6.978 -11.165 -4.570 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.284 -10.180 -5.254 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.203 -10.847 -4.006 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.802 -8.904 -5.373 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.726 -9.573 -4.122 1.00 0.00 C ATOM 557 CZ PHE A 37 8.024 -8.600 -4.806 1.00 0.00 C ATOM 0 H PHE A 37 7.343 -13.163 -2.237 1.00 0.00 H new ATOM 0 HA PHE A 37 5.079 -11.785 -2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.235 -13.267 -4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.830 -12.781 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.328 -10.412 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.756 -11.604 -3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.251 -8.145 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.682 -9.339 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.430 -7.603 -4.897 1.00 0.00 H new ATOM 567 N GLU A 38 4.720 -15.021 -3.348 1.00 0.00 N ATOM 568 CA GLU A 38 3.744 -16.073 -3.607 1.00 0.00 C ATOM 569 C GLU A 38 2.502 -15.888 -2.740 1.00 0.00 C ATOM 570 O GLU A 38 1.376 -16.058 -3.207 1.00 0.00 O ATOM 571 CB GLU A 38 4.361 -17.448 -3.345 1.00 0.00 C ATOM 572 CG GLU A 38 5.033 -18.056 -4.564 1.00 0.00 C ATOM 573 CD GLU A 38 4.074 -18.863 -5.417 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.270 -18.248 -6.149 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.126 -20.109 -5.353 1.00 0.00 O ATOM 0 H GLU A 38 5.632 -15.357 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 38 3.449 -16.009 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.093 -17.361 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.582 -18.125 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.470 -17.261 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.853 -18.697 -4.240 1.00 0.00 H new ATOM 582 N GLN A 39 2.716 -15.538 -1.476 1.00 0.00 N ATOM 583 CA GLN A 39 1.615 -15.331 -0.543 1.00 0.00 C ATOM 584 C GLN A 39 0.596 -14.350 -1.114 1.00 0.00 C ATOM 585 O GLN A 39 -0.607 -14.617 -1.113 1.00 0.00 O ATOM 586 CB GLN A 39 2.143 -14.814 0.796 1.00 0.00 C ATOM 587 CG GLN A 39 2.912 -15.858 1.590 1.00 0.00 C ATOM 588 CD GLN A 39 2.968 -15.540 3.071 1.00 0.00 C ATOM 589 OE1 GLN A 39 2.275 -14.643 3.552 1.00 0.00 O ATOM 590 NE2 GLN A 39 3.796 -16.275 3.804 1.00 0.00 N ATOM 0 H GLN A 39 3.642 -15.392 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 39 1.121 -16.290 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.791 -13.957 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.305 -14.459 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.445 -16.833 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.927 -15.931 1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.352 -17.008 3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.876 -16.106 4.807 1.00 0.00 H new ATOM 599 N LEU A 40 1.083 -13.214 -1.600 1.00 0.00 N ATOM 600 CA LEU A 40 0.215 -12.192 -2.174 1.00 0.00 C ATOM 601 C LEU A 40 -0.307 -12.625 -3.540 1.00 0.00 C ATOM 602 O LEU A 40 -1.472 -12.404 -3.870 1.00 0.00 O ATOM 603 CB LEU A 40 0.968 -10.867 -2.300 1.00 0.00 C ATOM 604 CG LEU A 40 1.473 -10.255 -0.992 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.742 -9.452 -1.234 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.398 -9.380 -0.363 1.00 0.00 C ATOM 0 H LEU A 40 2.075 -12.977 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.636 -12.057 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.822 -11.019 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.313 -10.145 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 40 1.706 -11.064 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.087 -9.024 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.514 -10.105 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.536 -8.650 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.774 -8.953 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.134 -8.577 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.485 -9.983 -0.154 1.00 0.00 H new ATOM 618 N SER A 41 0.563 -13.246 -4.330 1.00 0.00 N ATOM 619 CA SER A 41 0.191 -13.709 -5.662 1.00 0.00 C ATOM 620 C SER A 41 -0.948 -14.721 -5.586 1.00 0.00 C ATOM 621 O SER A 41 -1.769 -14.817 -6.498 1.00 0.00 O ATOM 622 CB SER A 41 1.398 -14.335 -6.363 1.00 0.00 C ATOM 623 OG SER A 41 1.471 -15.727 -6.108 1.00 0.00 O ATOM 0 H SER A 41 1.530 -13.440 -4.071 1.00 0.00 H new ATOM 0 HA SER A 41 -0.148 -12.848 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.329 -14.162 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.313 -13.851 -6.021 1.00 0.00 H new ATOM 0 HG SER A 41 1.427 -15.885 -5.142 1.00 0.00 H new ATOM 629 N ASN A 42 -0.991 -15.474 -4.492 1.00 0.00 N ATOM 630 CA ASN A 42 -2.029 -16.479 -4.296 1.00 0.00 C ATOM 631 C ASN A 42 -3.313 -15.841 -3.776 1.00 0.00 C ATOM 632 O ASN A 42 -4.416 -16.273 -4.115 1.00 0.00 O ATOM 633 CB ASN A 42 -1.549 -17.555 -3.319 1.00 0.00 C ATOM 634 CG ASN A 42 -0.760 -18.651 -4.008 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.307 -19.425 -4.794 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.534 -18.722 -3.715 1.00 0.00 N ATOM 0 H ASN A 42 -0.319 -15.407 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.239 -16.941 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.929 -17.093 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.410 -17.993 -2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.116 -19.439 -4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.945 -18.059 -3.058 1.00 0.00 H new ATOM 643 N LEU A 43 -3.164 -14.810 -2.952 1.00 0.00 N ATOM 644 CA LEU A 43 -4.311 -14.111 -2.385 1.00 0.00 C ATOM 645 C LEU A 43 -5.032 -13.292 -3.452 1.00 0.00 C ATOM 646 O LEU A 43 -6.220 -13.494 -3.707 1.00 0.00 O ATOM 647 CB LEU A 43 -3.864 -13.198 -1.242 1.00 0.00 C ATOM 648 CG LEU A 43 -4.851 -12.106 -0.829 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.161 -12.720 -0.362 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.252 -11.229 0.261 1.00 0.00 C ATOM 0 H LEU A 43 -2.259 -14.439 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.003 -14.858 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.653 -13.818 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.926 -12.722 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.056 -11.481 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.851 -11.928 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.598 -13.304 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.974 -13.369 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.969 -10.457 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.017 -11.841 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.341 -10.760 -0.109 1.00 0.00 H new ATOM 662 N LEU A 44 -4.305 -12.370 -4.073 1.00 0.00 N ATOM 663 CA LEU A 44 -4.874 -11.522 -5.115 1.00 0.00 C ATOM 664 C LEU A 44 -5.028 -12.294 -6.422 1.00 0.00 C ATOM 665 O LEU A 44 -5.626 -11.802 -7.378 1.00 0.00 O ATOM 666 CB LEU A 44 -3.992 -10.292 -5.337 1.00 0.00 C ATOM 667 CG LEU A 44 -3.609 -9.505 -4.083 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.508 -8.505 -4.396 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.826 -8.798 -3.504 1.00 0.00 C ATOM 0 H LEU A 44 -3.321 -12.190 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.862 -11.199 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.076 -10.611 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.508 -9.618 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.233 -10.206 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.249 -7.954 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.629 -9.035 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.856 -7.808 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.534 -8.243 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.232 -8.108 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.584 -9.536 -3.241 1.00 0.00 H new ATOM 681 N ASN A 45 -4.486 -13.507 -6.454 1.00 0.00 N ATOM 682 CA ASN A 45 -4.564 -14.348 -7.643 1.00 0.00 C ATOM 683 C ASN A 45 -3.898 -13.668 -8.835 1.00 0.00 C ATOM 684 O ASN A 45 -4.325 -13.838 -9.978 1.00 0.00 O ATOM 685 CB ASN A 45 -6.024 -14.666 -7.972 1.00 0.00 C ATOM 686 CG ASN A 45 -6.647 -15.625 -6.976 1.00 0.00 C ATOM 687 OD1 ASN A 45 -5.944 -16.375 -6.298 1.00 0.00 O ATOM 688 ND2 ASN A 45 -7.971 -15.605 -6.884 1.00 0.00 N ATOM 0 H ASN A 45 -3.988 -13.930 -5.670 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.034 -15.278 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.599 -13.740 -7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.083 -15.096 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.446 -16.228 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.513 -14.966 -7.466 1.00 0.00 H new ATOM 695 N LEU A 46 -2.851 -12.899 -8.561 1.00 0.00 N ATOM 696 CA LEU A 46 -2.124 -12.193 -9.611 1.00 0.00 C ATOM 697 C LEU A 46 -0.714 -12.753 -9.767 1.00 0.00 C ATOM 698 O LEU A 46 -0.126 -13.293 -8.830 1.00 0.00 O ATOM 699 CB LEU A 46 -2.060 -10.697 -9.297 1.00 0.00 C ATOM 700 CG LEU A 46 -3.403 -9.974 -9.199 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.225 -8.599 -8.575 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.047 -9.858 -10.573 1.00 0.00 C ATOM 0 H LEU A 46 -2.486 -12.748 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.658 -12.338 -10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.530 -10.567 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.463 -10.210 -10.068 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.063 -10.559 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.192 -8.099 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.807 -8.705 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.548 -8.005 -9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.002 -9.341 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.390 -9.296 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.211 -10.854 -10.983 1.00 0.00 H new ATOM 714 N PRO A 47 -0.155 -12.619 -10.979 1.00 0.00 N ATOM 715 CA PRO A 47 1.194 -13.103 -11.286 1.00 0.00 C ATOM 716 C PRO A 47 2.276 -12.284 -10.590 1.00 0.00 C ATOM 717 O PRO A 47 2.272 -11.054 -10.647 1.00 0.00 O ATOM 718 CB PRO A 47 1.293 -12.937 -12.805 1.00 0.00 C ATOM 719 CG PRO A 47 0.328 -11.851 -13.131 1.00 0.00 C ATOM 720 CD PRO A 47 -0.797 -11.986 -12.143 1.00 0.00 C ATOM 0 HA PRO A 47 1.347 -14.126 -10.944 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.305 -12.671 -13.109 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.037 -13.862 -13.322 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.801 -10.872 -13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.037 -11.947 -14.154 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.226 -11.017 -11.888 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.607 -12.599 -12.538 1.00 0.00 H new ATOM 728 N THR A 48 3.203 -12.974 -9.932 1.00 0.00 N ATOM 729 CA THR A 48 4.290 -12.311 -9.224 1.00 0.00 C ATOM 730 C THR A 48 4.899 -11.198 -10.069 1.00 0.00 C ATOM 731 O THR A 48 5.236 -10.131 -9.557 1.00 0.00 O ATOM 732 CB THR A 48 5.398 -13.309 -8.835 1.00 0.00 C ATOM 733 OG1 THR A 48 5.560 -14.288 -9.866 1.00 0.00 O ATOM 734 CG2 THR A 48 5.066 -13.999 -7.520 1.00 0.00 C ATOM 0 H THR A 48 3.222 -13.992 -9.875 1.00 0.00 H new ATOM 0 HA THR A 48 3.862 -11.883 -8.318 1.00 0.00 H new ATOM 0 HB THR A 48 6.329 -12.755 -8.712 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.267 -14.917 -9.612 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.862 -14.699 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.973 -13.253 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.125 -14.540 -7.621 1.00 0.00 H new ATOM 742 N ARG A 49 5.036 -11.454 -11.366 1.00 0.00 N ATOM 743 CA ARG A 49 5.605 -10.473 -12.282 1.00 0.00 C ATOM 744 C ARG A 49 4.878 -9.136 -12.167 1.00 0.00 C ATOM 745 O ARG A 49 5.491 -8.073 -12.268 1.00 0.00 O ATOM 746 CB ARG A 49 5.529 -10.984 -13.722 1.00 0.00 C ATOM 747 CG ARG A 49 4.196 -10.707 -14.398 1.00 0.00 C ATOM 748 CD ARG A 49 4.200 -9.362 -15.107 1.00 0.00 C ATOM 749 NE ARG A 49 4.935 -9.410 -16.368 1.00 0.00 N ATOM 750 CZ ARG A 49 4.430 -9.901 -17.495 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.195 -10.382 -17.517 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.161 -9.911 -18.602 1.00 0.00 N ATOM 0 H ARG A 49 4.761 -12.332 -11.806 1.00 0.00 H new ATOM 0 HA ARG A 49 6.650 -10.324 -12.011 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.325 -10.521 -14.305 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.713 -12.058 -13.727 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.980 -11.498 -15.117 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.399 -10.725 -13.655 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.173 -9.050 -15.298 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.646 -8.610 -14.456 1.00 0.00 H new ATOM 0 HE ARG A 49 5.888 -9.047 -16.385 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.630 -10.376 -16.668 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.810 -10.758 -18.383 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.112 -9.542 -18.589 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.772 -10.288 -19.466 1.00 0.00 H new ATOM 766 N VAL A 50 3.567 -9.197 -11.955 1.00 0.00 N ATOM 767 CA VAL A 50 2.756 -7.992 -11.826 1.00 0.00 C ATOM 768 C VAL A 50 2.969 -7.330 -10.469 1.00 0.00 C ATOM 769 O VAL A 50 3.020 -6.104 -10.367 1.00 0.00 O ATOM 770 CB VAL A 50 1.258 -8.302 -12.005 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.409 -7.174 -11.439 1.00 0.00 C ATOM 772 CG2 VAL A 50 0.935 -8.539 -13.472 1.00 0.00 C ATOM 0 H VAL A 50 3.044 -10.068 -11.869 1.00 0.00 H new ATOM 0 HA VAL A 50 3.074 -7.310 -12.614 1.00 0.00 H new ATOM 0 HB VAL A 50 1.024 -9.213 -11.454 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.647 -7.410 -11.574 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.621 -7.057 -10.376 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.643 -6.246 -11.960 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.128 -8.757 -13.580 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.183 -7.647 -14.048 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.518 -9.383 -13.841 1.00 0.00 H new ATOM 782 N ILE A 51 3.092 -8.149 -9.430 1.00 0.00 N ATOM 783 CA ILE A 51 3.301 -7.643 -8.079 1.00 0.00 C ATOM 784 C ILE A 51 4.705 -7.070 -7.918 1.00 0.00 C ATOM 785 O ILE A 51 4.922 -6.140 -7.141 1.00 0.00 O ATOM 786 CB ILE A 51 3.083 -8.744 -7.025 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.782 -9.499 -7.305 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.063 -8.143 -5.628 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.622 -10.755 -6.477 1.00 0.00 C ATOM 0 H ILE A 51 3.051 -9.166 -9.498 1.00 0.00 H new ATOM 0 HA ILE A 51 2.568 -6.852 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 51 3.911 -9.451 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.938 -8.836 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.745 -9.763 -8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.908 -8.934 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.013 -7.647 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.253 -7.417 -5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.678 -11.238 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.446 -11.437 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.627 -10.496 -5.418 1.00 0.00 H new ATOM 801 N VAL A 52 5.656 -7.631 -8.658 1.00 0.00 N ATOM 802 CA VAL A 52 7.039 -7.175 -8.600 1.00 0.00 C ATOM 803 C VAL A 52 7.180 -5.771 -9.176 1.00 0.00 C ATOM 804 O VAL A 52 7.713 -4.871 -8.526 1.00 0.00 O ATOM 805 CB VAL A 52 7.977 -8.128 -9.364 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.373 -7.532 -9.471 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.021 -9.489 -8.687 1.00 0.00 C ATOM 0 H VAL A 52 5.493 -8.403 -9.305 1.00 0.00 H new ATOM 0 HA VAL A 52 7.324 -7.163 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 52 7.586 -8.262 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.022 -8.220 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.323 -6.583 -10.004 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.775 -7.366 -8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.689 -10.149 -9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.387 -9.376 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.019 -9.919 -8.668 1.00 0.00 H new ATOM 817 N VAL A 53 6.697 -5.589 -10.401 1.00 0.00 N ATOM 818 CA VAL A 53 6.766 -4.293 -11.065 1.00 0.00 C ATOM 819 C VAL A 53 6.129 -3.202 -10.212 1.00 0.00 C ATOM 820 O VAL A 53 6.641 -2.086 -10.129 1.00 0.00 O ATOM 821 CB VAL A 53 6.069 -4.327 -12.438 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.118 -2.957 -13.097 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.706 -5.381 -13.332 1.00 0.00 C ATOM 0 H VAL A 53 6.254 -6.323 -10.954 1.00 0.00 H new ATOM 0 HA VAL A 53 7.823 -4.068 -11.207 1.00 0.00 H new ATOM 0 HB VAL A 53 5.023 -4.594 -12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.621 -3.001 -14.066 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.612 -2.230 -12.462 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.157 -2.657 -13.236 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.202 -5.392 -14.298 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.761 -5.147 -13.476 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.613 -6.361 -12.863 1.00 0.00 H new ATOM 833 N TRP A 54 5.010 -3.534 -9.578 1.00 0.00 N ATOM 834 CA TRP A 54 4.302 -2.582 -8.729 1.00 0.00 C ATOM 835 C TRP A 54 5.122 -2.245 -7.488 1.00 0.00 C ATOM 836 O TRP A 54 5.247 -1.079 -7.113 1.00 0.00 O ATOM 837 CB TRP A 54 2.942 -3.147 -8.318 1.00 0.00 C ATOM 838 CG TRP A 54 2.106 -2.177 -7.538 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.055 -1.441 -8.005 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.254 -1.837 -6.156 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.540 -0.664 -6.996 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.258 -0.889 -5.851 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.130 -2.242 -5.145 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.116 -0.341 -4.579 1.00 0.00 C ATOM 845 CZ3 TRP A 54 2.988 -1.698 -3.883 1.00 0.00 C ATOM 846 CH2 TRP A 54 1.987 -0.756 -3.608 1.00 0.00 C ATOM 0 H TRP A 54 4.574 -4.454 -9.635 1.00 0.00 H new ATOM 0 HA TRP A 54 4.150 -1.667 -9.301 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.397 -3.448 -9.212 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.096 -4.046 -7.720 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.683 -1.466 -9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.249 -0.024 -7.085 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.904 -2.967 -5.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.346 0.386 -4.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.660 -2.004 -3.095 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.901 -0.350 -2.611 1.00 0.00 H new ATOM 857 N PHE A 55 5.679 -3.272 -6.855 1.00 0.00 N ATOM 858 CA PHE A 55 6.487 -3.084 -5.656 1.00 0.00 C ATOM 859 C PHE A 55 7.754 -2.293 -5.971 1.00 0.00 C ATOM 860 O PHE A 55 8.153 -1.412 -5.210 1.00 0.00 O ATOM 861 CB PHE A 55 6.856 -4.438 -5.046 1.00 0.00 C ATOM 862 CG PHE A 55 5.867 -4.926 -4.027 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.548 -5.161 -4.380 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.256 -5.150 -2.716 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.635 -5.610 -3.444 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.348 -5.600 -1.777 1.00 0.00 C ATOM 867 CZ PHE A 55 4.036 -5.829 -2.141 1.00 0.00 C ATOM 0 H PHE A 55 5.586 -4.243 -7.152 1.00 0.00 H new ATOM 0 HA PHE A 55 5.896 -2.518 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.938 -5.176 -5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.838 -4.362 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.229 -4.991 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.281 -4.971 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.610 -5.789 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.664 -5.773 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.324 -6.179 -1.408 1.00 0.00 H new ATOM 877 N GLN A 56 8.380 -2.616 -7.098 1.00 0.00 N ATOM 878 CA GLN A 56 9.602 -1.937 -7.514 1.00 0.00 C ATOM 879 C GLN A 56 9.389 -0.428 -7.585 1.00 0.00 C ATOM 880 O GLN A 56 10.098 0.339 -6.935 1.00 0.00 O ATOM 881 CB GLN A 56 10.065 -2.463 -8.873 1.00 0.00 C ATOM 882 CG GLN A 56 10.845 -3.765 -8.788 1.00 0.00 C ATOM 883 CD GLN A 56 11.850 -3.918 -9.912 1.00 0.00 C ATOM 884 OE1 GLN A 56 13.056 -3.995 -9.676 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.358 -3.962 -11.145 1.00 0.00 N ATOM 0 H GLN A 56 8.062 -3.343 -7.739 1.00 0.00 H new ATOM 0 HA GLN A 56 10.373 -2.142 -6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.194 -2.612 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.687 -1.707 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.366 -3.810 -7.832 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.149 -4.603 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.351 -3.895 -11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.987 -4.063 -11.942 1.00 0.00 H new ATOM 894 N ASN A 57 8.408 -0.010 -8.379 1.00 0.00 N ATOM 895 CA ASN A 57 8.103 1.407 -8.535 1.00 0.00 C ATOM 896 C ASN A 57 7.795 2.049 -7.186 1.00 0.00 C ATOM 897 O ASN A 57 8.369 3.079 -6.832 1.00 0.00 O ATOM 898 CB ASN A 57 6.916 1.593 -9.483 1.00 0.00 C ATOM 899 CG ASN A 57 7.320 1.490 -10.941 1.00 0.00 C ATOM 900 OD1 ASN A 57 7.597 2.497 -11.593 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.356 0.268 -11.461 1.00 0.00 N ATOM 0 H ASN A 57 7.811 -0.632 -8.924 1.00 0.00 H new ATOM 0 HA ASN A 57 8.979 1.897 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.158 0.840 -9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.460 2.566 -9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.621 0.137 -12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.119 -0.539 -10.884 1.00 0.00 H new ATOM 908 N ALA A 58 6.886 1.434 -6.437 1.00 0.00 N ATOM 909 CA ALA A 58 6.504 1.943 -5.126 1.00 0.00 C ATOM 910 C ALA A 58 7.728 2.382 -4.330 1.00 0.00 C ATOM 911 O ALA A 58 7.701 3.406 -3.646 1.00 0.00 O ATOM 912 CB ALA A 58 5.722 0.888 -4.357 1.00 0.00 C ATOM 0 H ALA A 58 6.400 0.582 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 58 5.867 2.815 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.443 1.282 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.822 0.625 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.340 -0.000 -4.227 1.00 0.00 H new ATOM 918 N ARG A 59 8.800 1.602 -4.422 1.00 0.00 N ATOM 919 CA ARG A 59 10.033 1.910 -3.709 1.00 0.00 C ATOM 920 C ARG A 59 10.690 3.166 -4.275 1.00 0.00 C ATOM 921 O ARG A 59 11.141 4.033 -3.526 1.00 0.00 O ATOM 922 CB ARG A 59 11.005 0.732 -3.794 1.00 0.00 C ATOM 923 CG ARG A 59 10.579 -0.469 -2.966 1.00 0.00 C ATOM 924 CD ARG A 59 11.766 -1.351 -2.612 1.00 0.00 C ATOM 925 NE ARG A 59 12.459 -1.840 -3.801 1.00 0.00 N ATOM 926 CZ ARG A 59 11.997 -2.819 -4.570 1.00 0.00 C ATOM 927 NH1 ARG A 59 10.847 -3.411 -4.276 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.685 -3.209 -5.636 1.00 0.00 N ATOM 0 H ARG A 59 8.839 0.752 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 59 9.782 2.091 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.104 0.428 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.990 1.060 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.092 -0.128 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.844 -1.052 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.464 -0.788 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.424 -2.198 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 59 13.346 -1.406 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.315 -3.114 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.494 -4.163 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.570 -2.757 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.329 -3.961 -6.226 1.00 0.00 H new ATOM 942 N GLN A 60 10.739 3.256 -5.600 1.00 0.00 N ATOM 943 CA GLN A 60 11.341 4.405 -6.265 1.00 0.00 C ATOM 944 C GLN A 60 10.656 5.701 -5.841 1.00 0.00 C ATOM 945 O GLN A 60 11.313 6.716 -5.609 1.00 0.00 O ATOM 946 CB GLN A 60 11.257 4.244 -7.784 1.00 0.00 C ATOM 947 CG GLN A 60 12.054 3.063 -8.315 1.00 0.00 C ATOM 948 CD GLN A 60 11.756 2.766 -9.772 1.00 0.00 C ATOM 949 OE1 GLN A 60 10.917 1.921 -10.086 1.00 0.00 O ATOM 950 NE2 GLN A 60 12.443 3.462 -10.671 1.00 0.00 N ATOM 0 H GLN A 60 10.369 2.547 -6.234 1.00 0.00 H new ATOM 0 HA GLN A 60 12.389 4.456 -5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.212 4.125 -8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.616 5.157 -8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.119 3.267 -8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.832 2.180 -7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.129 4.153 -10.366 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.285 3.306 -11.666 1.00 0.00 H new ATOM 959 N LYS A 61 9.332 5.659 -5.742 1.00 0.00 N ATOM 960 CA LYS A 61 8.557 6.828 -5.345 1.00 0.00 C ATOM 961 C LYS A 61 8.858 7.216 -3.901 1.00 0.00 C ATOM 962 O LYS A 61 9.021 8.394 -3.585 1.00 0.00 O ATOM 963 CB LYS A 61 7.060 6.554 -5.509 1.00 0.00 C ATOM 964 CG LYS A 61 6.618 6.441 -6.958 1.00 0.00 C ATOM 965 CD LYS A 61 5.124 6.674 -7.104 1.00 0.00 C ATOM 966 CE LYS A 61 4.656 6.416 -8.529 1.00 0.00 C ATOM 967 NZ LYS A 61 5.287 7.353 -9.498 1.00 0.00 N ATOM 0 H LYS A 61 8.773 4.827 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 61 8.841 7.657 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.809 5.630 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.498 7.354 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.161 7.167 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.872 5.453 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.584 6.021 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.885 7.699 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.893 5.390 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.572 6.517 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.856 7.225 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.140 8.332 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.307 7.158 -9.556 1.00 0.00 H new ATOM 981 N ALA A 62 8.931 6.216 -3.028 1.00 0.00 N ATOM 982 CA ALA A 62 9.216 6.453 -1.618 1.00 0.00 C ATOM 983 C ALA A 62 10.559 7.152 -1.439 1.00 0.00 C ATOM 984 O ALA A 62 10.689 8.067 -0.626 1.00 0.00 O ATOM 985 CB ALA A 62 9.195 5.140 -0.848 1.00 0.00 C ATOM 0 H ALA A 62 8.797 5.235 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 62 8.440 7.108 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.409 5.331 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.211 4.680 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.950 4.467 -1.255 1.00 0.00 H new ATOM 991 N ARG A 63 11.555 6.716 -2.203 1.00 0.00 N ATOM 992 CA ARG A 63 12.888 7.300 -2.127 1.00 0.00 C ATOM 993 C ARG A 63 12.811 8.797 -1.842 1.00 0.00 C ATOM 994 O ARG A 63 12.133 9.541 -2.551 1.00 0.00 O ATOM 995 CB ARG A 63 13.650 7.057 -3.432 1.00 0.00 C ATOM 996 CG ARG A 63 14.049 5.606 -3.643 1.00 0.00 C ATOM 997 CD ARG A 63 15.243 5.225 -2.781 1.00 0.00 C ATOM 998 NE ARG A 63 16.483 5.821 -3.271 1.00 0.00 N ATOM 999 CZ ARG A 63 17.233 5.279 -4.223 1.00 0.00 C ATOM 1000 NH1 ARG A 63 16.870 4.134 -4.786 1.00 0.00 N ATOM 1001 NH2 ARG A 63 18.348 5.881 -4.615 1.00 0.00 N ATOM 0 H ARG A 63 11.464 5.960 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 63 13.422 6.819 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.032 7.380 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.547 7.676 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.206 4.957 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.290 5.443 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.067 5.547 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.345 4.140 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 63 16.790 6.702 -2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.013 3.668 -4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.448 3.720 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 63 18.630 6.762 -4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.923 5.463 -5.347 1.00 0.00 H new ATOM 1015 N LYS A 64 13.510 9.231 -0.799 1.00 0.00 N ATOM 1016 CA LYS A 64 13.522 10.639 -0.419 1.00 0.00 C ATOM 1017 C LYS A 64 14.636 10.922 0.584 1.00 0.00 C ATOM 1018 O LYS A 64 15.002 10.058 1.381 1.00 0.00 O ATOM 1019 CB LYS A 64 12.171 11.040 0.178 1.00 0.00 C ATOM 1020 CG LYS A 64 12.005 12.539 0.356 1.00 0.00 C ATOM 1021 CD LYS A 64 10.643 12.884 0.933 1.00 0.00 C ATOM 1022 CE LYS A 64 10.542 14.362 1.279 1.00 0.00 C ATOM 1023 NZ LYS A 64 11.062 14.649 2.645 1.00 0.00 N ATOM 0 H LYS A 64 14.076 8.628 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 64 13.705 11.230 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.374 10.669 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.052 10.552 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.787 12.917 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.131 13.037 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.866 12.624 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.464 12.287 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.101 14.945 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.502 14.680 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.976 15.666 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.512 14.112 3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.062 14.369 2.702 1.00 0.00 H new ATOM 1037 N SER A 65 15.171 12.138 0.540 1.00 0.00 N ATOM 1038 CA SER A 65 16.245 12.534 1.444 1.00 0.00 C ATOM 1039 C SER A 65 15.713 13.424 2.563 1.00 0.00 C ATOM 1040 O SER A 65 15.807 13.082 3.741 1.00 0.00 O ATOM 1041 CB SER A 65 17.345 13.267 0.673 1.00 0.00 C ATOM 1042 OG SER A 65 18.351 13.743 1.549 1.00 0.00 O ATOM 0 H SER A 65 14.878 12.866 -0.112 1.00 0.00 H new ATOM 0 HA SER A 65 16.663 11.631 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.787 12.595 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.913 14.103 0.123 1.00 0.00 H new ATOM 0 HG SER A 65 19.043 14.206 1.032 1.00 0.00 H new ATOM 1048 N GLY A 66 15.154 14.570 2.184 1.00 0.00 N ATOM 1049 CA GLY A 66 14.615 15.492 3.167 1.00 0.00 C ATOM 1050 C GLY A 66 15.636 16.515 3.623 1.00 0.00 C ATOM 1051 O GLY A 66 16.832 16.234 3.710 1.00 0.00 O ATOM 0 H GLY A 66 15.065 14.876 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.753 16.007 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.258 14.930 4.030 1.00 0.00 H new ATOM 1055 N PRO A 67 15.165 17.735 3.922 1.00 0.00 N ATOM 1056 CA PRO A 67 16.029 18.828 4.376 1.00 0.00 C ATOM 1057 C PRO A 67 16.579 18.589 5.778 1.00 0.00 C ATOM 1058 O PRO A 67 15.866 18.114 6.662 1.00 0.00 O ATOM 1059 CB PRO A 67 15.099 20.043 4.366 1.00 0.00 C ATOM 1060 CG PRO A 67 13.732 19.475 4.533 1.00 0.00 C ATOM 1061 CD PRO A 67 13.751 18.140 3.842 1.00 0.00 C ATOM 0 HA PRO A 67 16.908 18.942 3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.342 20.734 5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.185 20.600 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.481 19.365 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.980 20.131 4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.098 17.421 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 67 13.413 18.217 2.809 1.00 0.00 H new ATOM 1069 N SER A 68 17.851 18.922 5.975 1.00 0.00 N ATOM 1070 CA SER A 68 18.497 18.740 7.269 1.00 0.00 C ATOM 1071 C SER A 68 17.671 19.376 8.383 1.00 0.00 C ATOM 1072 O SER A 68 17.183 20.498 8.246 1.00 0.00 O ATOM 1073 CB SER A 68 19.902 19.346 7.251 1.00 0.00 C ATOM 1074 OG SER A 68 19.851 20.756 7.386 1.00 0.00 O ATOM 0 H SER A 68 18.454 19.319 5.255 1.00 0.00 H new ATOM 0 HA SER A 68 18.573 17.670 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.495 18.921 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 68 20.402 19.085 6.319 1.00 0.00 H new ATOM 0 HG SER A 68 20.761 21.119 7.373 1.00 0.00 H new ATOM 1080 N SER A 69 17.518 18.651 9.486 1.00 0.00 N ATOM 1081 CA SER A 69 16.748 19.141 10.623 1.00 0.00 C ATOM 1082 C SER A 69 17.668 19.729 11.689 1.00 0.00 C ATOM 1083 O SER A 69 18.808 19.294 11.850 1.00 0.00 O ATOM 1084 CB SER A 69 15.909 18.011 11.223 1.00 0.00 C ATOM 1085 OG SER A 69 16.732 16.948 11.671 1.00 0.00 O ATOM 0 H SER A 69 17.917 17.722 9.617 1.00 0.00 H new ATOM 0 HA SER A 69 16.083 19.928 10.268 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.319 18.394 12.056 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.205 17.641 10.477 1.00 0.00 H new ATOM 0 HG SER A 69 16.172 16.239 12.052 1.00 0.00 H new ATOM 1091 N GLY A 70 17.163 20.721 12.416 1.00 0.00 N ATOM 1092 CA GLY A 70 17.951 21.353 13.458 1.00 0.00 C ATOM 1093 C GLY A 70 18.653 20.345 14.346 1.00 0.00 C ATOM 1094 O GLY A 70 19.703 20.637 14.919 1.00 0.00 O ATOM 0 H GLY A 70 16.222 21.098 12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.692 22.009 13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.303 21.981 14.069 1.00 0.00 H new TER 1098 GLY A 70