USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 62 LYS NZ :NH3+ -123:sc= 0.0478 (180deg=0) USER MOD Set 1.2: A 66 GLN : amide:sc= 0.153 X(o=0.2,f=0) USER MOD Set 2.1: A 22 LYS NZ :NH3+ -135:sc= -0.213 (180deg=-1.54) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -130:sc= -0.0478 (180deg=0) USER MOD Set 3.1: A 1 GLY N :NH3+ -150:sc= 0 (180deg=-0.0439) USER MOD Set 3.2: A 3 MET CE :methyl -123:sc=-0.00594 (180deg=-0.244) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -42:sc= 0.172 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 17 GLN : amide:sc= -0.254 K(o=-0.25,f=-3.7!) USER MOD Single : A 19 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.407 USER MOD Single : A 34 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.07) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.01) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.036) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0976 X(o=-0.098,f=-0.098) USER MOD Single : A 56 ASN : amide:sc= -0.868 X(o=-0.87,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.143) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.753 8.069 10.709 1.00 0.00 N ATOM 2 CA GLY A 1 15.418 9.334 10.321 1.00 0.00 C ATOM 3 C GLY A 1 16.903 9.141 10.319 1.00 0.00 C ATOM 4 O GLY A 1 17.468 8.918 9.248 1.00 0.00 O ATOM 0 H1 GLY A 1 13.821 8.012 10.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.337 7.263 10.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.633 8.042 11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.080 9.646 9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.145 10.128 11.016 1.00 0.00 H new ATOM 10 N PRO A 2 17.599 9.197 11.459 1.00 0.00 N ATOM 11 CA PRO A 2 19.024 8.913 11.550 1.00 0.00 C ATOM 12 C PRO A 2 19.271 7.420 11.560 1.00 0.00 C ATOM 13 O PRO A 2 20.429 7.017 11.659 1.00 0.00 O ATOM 14 CB PRO A 2 19.422 9.521 12.902 1.00 0.00 C ATOM 15 CG PRO A 2 18.165 9.374 13.766 1.00 0.00 C ATOM 16 CD PRO A 2 17.033 9.580 12.757 1.00 0.00 C ATOM 0 HA PRO A 2 19.590 9.316 10.710 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.270 8.995 13.341 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.714 10.566 12.798 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.112 8.393 14.239 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.134 10.115 14.565 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.168 8.966 13.006 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.696 10.617 12.749 1.00 0.00 H new ATOM 24 N MET A 3 18.199 6.599 11.471 1.00 0.00 N ATOM 25 CA MET A 3 18.259 5.162 11.524 1.00 0.00 C ATOM 26 C MET A 3 18.419 4.642 10.124 1.00 0.00 C ATOM 27 O MET A 3 18.346 5.396 9.153 1.00 0.00 O ATOM 28 CB MET A 3 16.969 4.564 12.134 1.00 0.00 C ATOM 29 CG MET A 3 16.710 5.052 13.572 1.00 0.00 C ATOM 30 SD MET A 3 15.174 4.415 14.317 1.00 0.00 S ATOM 31 CE MET A 3 14.013 5.433 13.356 1.00 0.00 C ATOM 0 H MET A 3 17.249 6.953 11.357 1.00 0.00 H new ATOM 0 HA MET A 3 19.100 4.871 12.153 1.00 0.00 H new ATOM 0 HB2 MET A 3 16.118 4.829 11.506 1.00 0.00 H new ATOM 0 HB3 MET A 3 17.041 3.476 12.131 1.00 0.00 H new ATOM 0 HG2 MET A 3 17.552 4.760 14.199 1.00 0.00 H new ATOM 0 HG3 MET A 3 16.675 6.141 13.572 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.389 6.013 14.036 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.572 6.110 12.709 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.381 4.787 12.746 1.00 0.00 H new ATOM 41 N ALA A 4 18.654 3.314 10.002 1.00 0.00 N ATOM 42 CA ALA A 4 18.847 2.648 8.737 1.00 0.00 C ATOM 43 C ALA A 4 17.512 2.190 8.220 1.00 0.00 C ATOM 44 O ALA A 4 16.504 2.237 8.926 1.00 0.00 O ATOM 45 CB ALA A 4 19.773 1.423 8.858 1.00 0.00 C ATOM 0 H ALA A 4 18.711 2.686 10.804 1.00 0.00 H new ATOM 0 HA ALA A 4 19.316 3.359 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 4 19.887 0.955 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 4 20.749 1.740 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 4 19.338 0.706 9.554 1.00 0.00 H new ATOM 51 N SER A 5 17.495 1.737 6.945 1.00 0.00 N ATOM 52 CA SER A 5 16.317 1.249 6.275 1.00 0.00 C ATOM 53 C SER A 5 16.250 -0.236 6.524 1.00 0.00 C ATOM 54 O SER A 5 17.281 -0.904 6.606 1.00 0.00 O ATOM 55 CB SER A 5 16.379 1.533 4.749 1.00 0.00 C ATOM 56 OG SER A 5 15.169 1.195 4.081 1.00 0.00 O ATOM 0 H SER A 5 18.330 1.709 6.360 1.00 0.00 H new ATOM 0 HA SER A 5 15.431 1.754 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.596 2.589 4.588 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.202 0.968 4.311 1.00 0.00 H new ATOM 0 HG SER A 5 15.257 1.393 3.125 1.00 0.00 H new ATOM 62 N ASP A 6 15.013 -0.773 6.654 1.00 0.00 N ATOM 63 CA ASP A 6 14.764 -2.185 6.842 1.00 0.00 C ATOM 64 C ASP A 6 14.506 -2.803 5.490 1.00 0.00 C ATOM 65 O ASP A 6 14.784 -2.196 4.456 1.00 0.00 O ATOM 66 CB ASP A 6 13.623 -2.490 7.868 1.00 0.00 C ATOM 67 CG ASP A 6 12.228 -1.939 7.524 1.00 0.00 C ATOM 68 OD1 ASP A 6 12.061 -1.263 6.476 1.00 0.00 O ATOM 69 OD2 ASP A 6 11.298 -2.200 8.334 1.00 0.00 O ATOM 0 H ASP A 6 14.161 -0.212 6.628 1.00 0.00 H new ATOM 0 HA ASP A 6 15.648 -2.637 7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 6 13.545 -3.571 7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 6 13.919 -2.089 8.837 1.00 0.00 H new ATOM 74 N LYS A 7 13.973 -4.046 5.478 1.00 0.00 N ATOM 75 CA LYS A 7 13.637 -4.757 4.270 1.00 0.00 C ATOM 76 C LYS A 7 12.182 -4.492 4.020 1.00 0.00 C ATOM 77 O LYS A 7 11.361 -4.569 4.935 1.00 0.00 O ATOM 78 CB LYS A 7 13.839 -6.291 4.356 1.00 0.00 C ATOM 79 CG LYS A 7 15.302 -6.767 4.258 1.00 0.00 C ATOM 80 CD LYS A 7 16.189 -6.451 5.473 1.00 0.00 C ATOM 81 CE LYS A 7 17.592 -7.063 5.354 1.00 0.00 C ATOM 82 NZ LYS A 7 18.421 -6.726 6.535 1.00 0.00 N ATOM 0 H LYS A 7 13.770 -4.571 6.329 1.00 0.00 H new ATOM 0 HA LYS A 7 14.299 -4.408 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.421 -6.644 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.266 -6.762 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.304 -7.846 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.753 -6.315 3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.276 -5.370 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.708 -6.826 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.513 -8.146 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.077 -6.697 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.364 -7.151 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.514 -5.693 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.968 -7.097 7.394 1.00 0.00 H new ATOM 96 N ARG A 8 11.851 -4.159 2.753 1.00 0.00 N ATOM 97 CA ARG A 8 10.502 -3.924 2.308 1.00 0.00 C ATOM 98 C ARG A 8 10.315 -4.850 1.135 1.00 0.00 C ATOM 99 O ARG A 8 11.290 -5.085 0.421 1.00 0.00 O ATOM 100 CB ARG A 8 10.244 -2.481 1.811 1.00 0.00 C ATOM 101 CG ARG A 8 10.544 -1.381 2.844 1.00 0.00 C ATOM 102 CD ARG A 8 11.955 -0.783 2.761 1.00 0.00 C ATOM 103 NE ARG A 8 12.079 0.275 3.821 1.00 0.00 N ATOM 104 CZ ARG A 8 11.792 1.598 3.616 1.00 0.00 C ATOM 105 NH1 ARG A 8 11.457 2.071 2.383 1.00 0.00 N ATOM 106 NH2 ARG A 8 11.848 2.463 4.674 1.00 0.00 N ATOM 0 H ARG A 8 12.544 -4.049 2.013 1.00 0.00 H new ATOM 0 HA ARG A 8 9.820 -4.087 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.852 -2.303 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.201 -2.398 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.817 -0.578 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.398 -1.792 3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.706 -1.559 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.129 -0.355 1.774 1.00 0.00 H new ATOM 0 HE ARG A 8 12.396 -0.009 4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.416 1.435 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.248 3.061 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.101 2.120 5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.637 3.451 4.536 1.00 0.00 H new ATOM 120 N PRO A 9 9.137 -5.410 0.863 1.00 0.00 N ATOM 121 CA PRO A 9 8.945 -6.311 -0.257 1.00 0.00 C ATOM 122 C PRO A 9 8.844 -5.534 -1.547 1.00 0.00 C ATOM 123 O PRO A 9 8.401 -4.385 -1.525 1.00 0.00 O ATOM 124 CB PRO A 9 7.615 -7.011 0.050 1.00 0.00 C ATOM 125 CG PRO A 9 6.840 -6.015 0.914 1.00 0.00 C ATOM 126 CD PRO A 9 7.943 -5.312 1.707 1.00 0.00 C ATOM 0 HA PRO A 9 9.771 -7.012 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.072 -7.247 -0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.775 -7.951 0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.270 -5.312 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.130 -6.518 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.685 -4.272 1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.102 -5.792 2.673 1.00 0.00 H new ATOM 134 N ARG A 10 9.264 -6.175 -2.663 1.00 0.00 N ATOM 135 CA ARG A 10 9.180 -5.710 -4.025 1.00 0.00 C ATOM 136 C ARG A 10 10.123 -4.585 -4.355 1.00 0.00 C ATOM 137 O ARG A 10 10.494 -3.770 -3.510 1.00 0.00 O ATOM 138 CB ARG A 10 7.746 -5.407 -4.526 1.00 0.00 C ATOM 139 CG ARG A 10 6.762 -6.580 -4.361 1.00 0.00 C ATOM 140 CD ARG A 10 7.153 -7.831 -5.166 1.00 0.00 C ATOM 141 NE ARG A 10 6.151 -8.908 -4.896 1.00 0.00 N ATOM 142 CZ ARG A 10 6.250 -10.165 -5.426 1.00 0.00 C ATOM 143 NH1 ARG A 10 7.282 -10.500 -6.252 1.00 0.00 N ATOM 144 NH2 ARG A 10 5.299 -11.096 -5.119 1.00 0.00 N ATOM 0 H ARG A 10 9.699 -7.096 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 10 9.517 -6.580 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.359 -4.543 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.791 -5.130 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.698 -6.843 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.768 -6.256 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.183 -7.601 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.152 -8.165 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 10 5.359 -8.696 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.995 -9.809 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.341 -11.442 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.526 -10.850 -4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.362 -12.037 -5.508 1.00 0.00 H new ATOM 158 N THR A 11 10.547 -4.567 -5.639 1.00 0.00 N ATOM 159 CA THR A 11 11.513 -3.647 -6.187 1.00 0.00 C ATOM 160 C THR A 11 10.829 -2.864 -7.290 1.00 0.00 C ATOM 161 O THR A 11 11.459 -2.049 -7.964 1.00 0.00 O ATOM 162 CB THR A 11 12.746 -4.395 -6.696 1.00 0.00 C ATOM 163 OG1 THR A 11 13.813 -3.513 -7.030 1.00 0.00 O ATOM 164 CG2 THR A 11 12.422 -5.331 -7.883 1.00 0.00 C ATOM 0 H THR A 11 10.198 -5.229 -6.333 1.00 0.00 H new ATOM 0 HA THR A 11 11.868 -2.959 -5.420 1.00 0.00 H new ATOM 0 HB THR A 11 13.077 -5.019 -5.866 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.456 -2.732 -7.501 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.332 -5.838 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.685 -6.072 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.020 -4.745 -8.710 1.00 0.00 H new ATOM 172 N ALA A 12 9.498 -3.075 -7.474 1.00 0.00 N ATOM 173 CA ALA A 12 8.696 -2.400 -8.472 1.00 0.00 C ATOM 174 C ALA A 12 8.117 -1.128 -7.906 1.00 0.00 C ATOM 175 O ALA A 12 7.131 -0.592 -8.410 1.00 0.00 O ATOM 176 CB ALA A 12 7.535 -3.296 -8.948 1.00 0.00 C ATOM 0 H ALA A 12 8.964 -3.736 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 12 9.347 -2.172 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.949 -2.764 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.937 -4.211 -9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.898 -3.547 -8.100 1.00 0.00 H new ATOM 182 N PHE A 13 8.756 -0.619 -6.833 1.00 0.00 N ATOM 183 CA PHE A 13 8.410 0.584 -6.132 1.00 0.00 C ATOM 184 C PHE A 13 9.692 1.374 -6.107 1.00 0.00 C ATOM 185 O PHE A 13 10.736 0.884 -6.538 1.00 0.00 O ATOM 186 CB PHE A 13 7.999 0.327 -4.655 1.00 0.00 C ATOM 187 CG PHE A 13 6.683 -0.402 -4.510 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.523 -1.753 -4.882 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.591 0.259 -3.920 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.286 -2.397 -4.734 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.366 -0.388 -3.750 1.00 0.00 C ATOM 192 CZ PHE A 13 4.204 -1.707 -4.177 1.00 0.00 C ATOM 0 H PHE A 13 9.570 -1.081 -6.428 1.00 0.00 H new ATOM 0 HA PHE A 13 7.566 1.072 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.781 -0.252 -4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.935 1.282 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.363 -2.298 -5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.702 1.282 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.169 -3.423 -5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.541 0.133 -3.287 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.245 -2.194 -4.078 1.00 0.00 H new ATOM 202 N THR A 14 9.639 2.620 -5.579 1.00 0.00 N ATOM 203 CA THR A 14 10.817 3.400 -5.270 1.00 0.00 C ATOM 204 C THR A 14 10.892 3.415 -3.768 1.00 0.00 C ATOM 205 O THR A 14 10.047 2.834 -3.094 1.00 0.00 O ATOM 206 CB THR A 14 10.837 4.806 -5.864 1.00 0.00 C ATOM 207 OG1 THR A 14 9.731 5.595 -5.441 1.00 0.00 O ATOM 208 CG2 THR A 14 10.824 4.689 -7.403 1.00 0.00 C ATOM 0 H THR A 14 8.764 3.097 -5.362 1.00 0.00 H new ATOM 0 HA THR A 14 11.693 2.944 -5.731 1.00 0.00 H new ATOM 0 HB THR A 14 11.740 5.306 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.790 6.485 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.838 5.686 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.702 4.134 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.923 4.165 -7.720 1.00 0.00 H new ATOM 216 N ALA A 15 11.925 4.082 -3.209 1.00 0.00 N ATOM 217 CA ALA A 15 12.212 4.092 -1.795 1.00 0.00 C ATOM 218 C ALA A 15 11.172 4.860 -1.030 1.00 0.00 C ATOM 219 O ALA A 15 10.865 4.521 0.110 1.00 0.00 O ATOM 220 CB ALA A 15 13.576 4.741 -1.499 1.00 0.00 C ATOM 0 H ALA A 15 12.585 4.634 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 15 12.218 3.048 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.758 4.731 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.363 4.182 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.574 5.771 -1.857 1.00 0.00 H new ATOM 226 N GLU A 16 10.603 5.911 -1.663 1.00 0.00 N ATOM 227 CA GLU A 16 9.670 6.823 -1.061 1.00 0.00 C ATOM 228 C GLU A 16 8.275 6.265 -1.068 1.00 0.00 C ATOM 229 O GLU A 16 7.452 6.644 -0.237 1.00 0.00 O ATOM 230 CB GLU A 16 9.657 8.164 -1.826 1.00 0.00 C ATOM 231 CG GLU A 16 11.010 8.903 -1.803 1.00 0.00 C ATOM 232 CD GLU A 16 11.410 9.232 -0.365 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.673 10.016 0.290 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.455 8.701 0.098 1.00 0.00 O ATOM 0 H GLU A 16 10.803 6.134 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 16 9.992 6.977 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.372 7.979 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.892 8.811 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.778 8.285 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.941 9.820 -2.388 1.00 0.00 H new ATOM 241 N GLN A 17 7.981 5.335 -2.008 1.00 0.00 N ATOM 242 CA GLN A 17 6.684 4.712 -2.131 1.00 0.00 C ATOM 243 C GLN A 17 6.550 3.646 -1.080 1.00 0.00 C ATOM 244 O GLN A 17 5.524 3.566 -0.407 1.00 0.00 O ATOM 245 CB GLN A 17 6.443 4.101 -3.528 1.00 0.00 C ATOM 246 CG GLN A 17 6.398 5.171 -4.633 1.00 0.00 C ATOM 247 CD GLN A 17 6.115 4.509 -5.987 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.886 3.660 -6.447 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.983 4.914 -6.640 1.00 0.00 N ATOM 0 H GLN A 17 8.658 5.008 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 17 5.932 5.488 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.234 3.385 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.504 3.547 -3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.625 5.906 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.346 5.707 -4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.377 5.619 -6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.746 4.511 -7.547 1.00 0.00 H new ATOM 258 N LEU A 18 7.621 2.834 -0.887 1.00 0.00 N ATOM 259 CA LEU A 18 7.703 1.783 0.098 1.00 0.00 C ATOM 260 C LEU A 18 7.550 2.342 1.493 1.00 0.00 C ATOM 261 O LEU A 18 6.730 1.851 2.265 1.00 0.00 O ATOM 262 CB LEU A 18 9.075 1.072 0.032 1.00 0.00 C ATOM 263 CG LEU A 18 9.335 0.257 -1.254 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.829 -0.088 -1.406 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.463 -1.005 -1.354 1.00 0.00 C ATOM 0 H LEU A 18 8.470 2.916 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 18 6.900 1.079 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.860 1.822 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.161 0.404 0.889 1.00 0.00 H new ATOM 0 HG LEU A 18 9.044 0.900 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.979 -0.662 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.412 0.832 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.155 -0.679 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.693 -1.534 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.666 -1.656 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.411 -0.721 -1.350 1.00 0.00 H new ATOM 277 N GLN A 19 8.329 3.412 1.793 1.00 0.00 N ATOM 278 CA GLN A 19 8.428 4.148 3.039 1.00 0.00 C ATOM 279 C GLN A 19 7.096 4.586 3.580 1.00 0.00 C ATOM 280 O GLN A 19 6.776 4.346 4.743 1.00 0.00 O ATOM 281 CB GLN A 19 9.283 5.414 2.798 1.00 0.00 C ATOM 282 CG GLN A 19 9.455 6.382 3.984 1.00 0.00 C ATOM 283 CD GLN A 19 9.864 7.748 3.422 1.00 0.00 C ATOM 284 OE1 GLN A 19 11.008 8.193 3.578 1.00 0.00 O ATOM 285 NE2 GLN A 19 8.880 8.407 2.733 1.00 0.00 N ATOM 0 H GLN A 19 8.955 3.803 1.089 1.00 0.00 H new ATOM 0 HA GLN A 19 8.876 3.475 3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.274 5.096 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.840 5.968 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.525 6.464 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.213 6.010 4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.955 7.988 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.072 9.317 2.314 1.00 0.00 H new ATOM 294 N ARG A 20 6.303 5.255 2.719 1.00 0.00 N ATOM 295 CA ARG A 20 5.000 5.814 3.018 1.00 0.00 C ATOM 296 C ARG A 20 4.029 4.741 3.454 1.00 0.00 C ATOM 297 O ARG A 20 3.286 4.916 4.419 1.00 0.00 O ATOM 298 CB ARG A 20 4.453 6.570 1.783 1.00 0.00 C ATOM 299 CG ARG A 20 3.423 7.685 2.066 1.00 0.00 C ATOM 300 CD ARG A 20 1.982 7.253 2.377 1.00 0.00 C ATOM 301 NE ARG A 20 1.454 6.436 1.235 1.00 0.00 N ATOM 302 CZ ARG A 20 0.116 6.263 1.005 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.819 6.813 1.834 1.00 0.00 N ATOM 304 NH2 ARG A 20 -0.290 5.535 -0.076 1.00 0.00 N ATOM 0 H ARG A 20 6.582 5.420 1.752 1.00 0.00 H new ATOM 0 HA ARG A 20 5.112 6.516 3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.296 7.010 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.995 5.843 1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.787 8.274 2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.397 8.347 1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.955 6.672 3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.353 8.129 2.534 1.00 0.00 H new ATOM 0 HE ARG A 20 2.120 5.991 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.525 7.364 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.812 6.673 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.402 5.125 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.285 5.401 -0.256 1.00 0.00 H new ATOM 318 N LEU A 21 4.049 3.578 2.760 1.00 0.00 N ATOM 319 CA LEU A 21 3.171 2.464 3.035 1.00 0.00 C ATOM 320 C LEU A 21 3.507 1.734 4.307 1.00 0.00 C ATOM 321 O LEU A 21 2.646 1.035 4.836 1.00 0.00 O ATOM 322 CB LEU A 21 3.222 1.407 1.919 1.00 0.00 C ATOM 323 CG LEU A 21 2.789 1.941 0.541 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.190 0.983 -0.592 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.285 2.278 0.479 1.00 0.00 C ATOM 0 H LEU A 21 4.692 3.406 1.987 1.00 0.00 H new ATOM 0 HA LEU A 21 2.185 2.922 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.237 1.018 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.579 0.571 2.193 1.00 0.00 H new ATOM 0 HG LEU A 21 3.328 2.877 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.867 1.395 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.273 0.859 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.715 0.015 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.036 2.650 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.702 1.381 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.052 3.042 1.221 1.00 0.00 H new ATOM 337 N LYS A 22 4.751 1.871 4.841 1.00 0.00 N ATOM 338 CA LYS A 22 5.150 1.269 6.104 1.00 0.00 C ATOM 339 C LYS A 22 4.407 1.901 7.253 1.00 0.00 C ATOM 340 O LYS A 22 4.139 1.257 8.266 1.00 0.00 O ATOM 341 CB LYS A 22 6.653 1.443 6.453 1.00 0.00 C ATOM 342 CG LYS A 22 7.653 1.024 5.369 1.00 0.00 C ATOM 343 CD LYS A 22 7.635 -0.468 5.031 1.00 0.00 C ATOM 344 CE LYS A 22 8.382 -1.326 6.060 1.00 0.00 C ATOM 345 NZ LYS A 22 8.520 -2.724 5.593 1.00 0.00 N ATOM 0 H LYS A 22 5.493 2.407 4.392 1.00 0.00 H new ATOM 0 HA LYS A 22 4.925 0.211 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.829 2.491 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.864 0.868 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.445 1.592 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.657 1.298 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.601 -0.807 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.082 -0.617 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.369 -0.902 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.847 -1.308 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.287 -3.374 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.872 -2.890 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.499 -2.891 5.283 1.00 0.00 H new ATOM 359 N ALA A 23 4.064 3.199 7.091 1.00 0.00 N ATOM 360 CA ALA A 23 3.406 3.999 8.100 1.00 0.00 C ATOM 361 C ALA A 23 1.934 3.696 8.094 1.00 0.00 C ATOM 362 O ALA A 23 1.297 3.624 9.143 1.00 0.00 O ATOM 363 CB ALA A 23 3.590 5.509 7.855 1.00 0.00 C ATOM 0 H ALA A 23 4.249 3.713 6.230 1.00 0.00 H new ATOM 0 HA ALA A 23 3.858 3.748 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.079 6.070 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.652 5.753 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.169 5.774 6.885 1.00 0.00 H new ATOM 369 N GLU A 24 1.381 3.484 6.876 1.00 0.00 N ATOM 370 CA GLU A 24 0.001 3.145 6.628 1.00 0.00 C ATOM 371 C GLU A 24 -0.305 1.745 7.104 1.00 0.00 C ATOM 372 O GLU A 24 -1.415 1.494 7.560 1.00 0.00 O ATOM 373 CB GLU A 24 -0.305 3.268 5.116 1.00 0.00 C ATOM 374 CG GLU A 24 -1.639 2.685 4.630 1.00 0.00 C ATOM 375 CD GLU A 24 -1.672 2.815 3.111 1.00 0.00 C ATOM 376 OE1 GLU A 24 -1.725 3.971 2.618 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.635 1.761 2.424 1.00 0.00 O ATOM 0 H GLU A 24 1.927 3.553 6.017 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.630 3.839 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.279 4.324 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.500 2.780 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.731 1.640 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.477 3.219 5.078 1.00 0.00 H new ATOM 384 N PHE A 25 0.678 0.810 7.036 1.00 0.00 N ATOM 385 CA PHE A 25 0.537 -0.595 7.370 1.00 0.00 C ATOM 386 C PHE A 25 0.088 -0.795 8.801 1.00 0.00 C ATOM 387 O PHE A 25 -0.688 -1.705 9.088 1.00 0.00 O ATOM 388 CB PHE A 25 1.875 -1.362 7.134 1.00 0.00 C ATOM 389 CG PHE A 25 1.747 -2.851 7.361 1.00 0.00 C ATOM 390 CD1 PHE A 25 1.108 -3.668 6.415 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.227 -3.435 8.548 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.921 -5.034 6.658 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.061 -4.804 8.785 1.00 0.00 C ATOM 394 CZ PHE A 25 1.402 -5.602 7.843 1.00 0.00 C ATOM 0 H PHE A 25 1.623 1.045 6.732 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.232 -0.998 6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.216 -1.183 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.640 -0.962 7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.757 -3.238 5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.728 -2.821 9.282 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.407 -5.648 5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.441 -5.245 9.695 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.265 -6.657 8.031 1.00 0.00 H new ATOM 404 N GLN A 26 0.573 0.070 9.723 1.00 0.00 N ATOM 405 CA GLN A 26 0.320 -0.019 11.138 1.00 0.00 C ATOM 406 C GLN A 26 -1.127 0.247 11.459 1.00 0.00 C ATOM 407 O GLN A 26 -1.776 -0.563 12.121 1.00 0.00 O ATOM 408 CB GLN A 26 1.214 0.973 11.920 1.00 0.00 C ATOM 409 CG GLN A 26 1.118 0.838 13.451 1.00 0.00 C ATOM 410 CD GLN A 26 2.063 1.841 14.122 1.00 0.00 C ATOM 411 OE1 GLN A 26 1.612 2.828 14.715 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.400 1.571 14.020 1.00 0.00 N ATOM 0 H GLN A 26 1.165 0.862 9.472 1.00 0.00 H new ATOM 0 HA GLN A 26 0.560 -1.037 11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.251 0.826 11.618 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.941 1.990 11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.093 1.016 13.777 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.377 -0.177 13.753 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.716 0.741 13.518 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.081 2.200 14.446 1.00 0.00 H new ATOM 421 N THR A 27 -1.662 1.396 10.985 1.00 0.00 N ATOM 422 CA THR A 27 -2.998 1.846 11.301 1.00 0.00 C ATOM 423 C THR A 27 -3.979 1.128 10.417 1.00 0.00 C ATOM 424 O THR A 27 -4.789 0.326 10.880 1.00 0.00 O ATOM 425 CB THR A 27 -3.143 3.356 11.155 1.00 0.00 C ATOM 426 OG1 THR A 27 -2.167 4.015 11.952 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.550 3.829 11.583 1.00 0.00 C ATOM 0 H THR A 27 -1.156 2.030 10.367 1.00 0.00 H new ATOM 0 HA THR A 27 -3.203 1.613 12.346 1.00 0.00 H new ATOM 0 HB THR A 27 -2.997 3.605 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.264 4.985 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.621 4.910 11.467 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.302 3.347 10.958 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.721 3.564 12.626 1.00 0.00 H new ATOM 435 N ASN A 28 -3.903 1.429 9.110 1.00 0.00 N ATOM 436 CA ASN A 28 -4.809 0.997 8.088 1.00 0.00 C ATOM 437 C ASN A 28 -4.170 -0.154 7.367 1.00 0.00 C ATOM 438 O ASN A 28 -3.594 -0.002 6.290 1.00 0.00 O ATOM 439 CB ASN A 28 -5.042 2.128 7.068 1.00 0.00 C ATOM 440 CG ASN A 28 -5.767 3.296 7.749 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.943 3.173 8.116 1.00 0.00 O ATOM 442 ND2 ASN A 28 -5.044 4.445 7.916 1.00 0.00 N ATOM 0 H ASN A 28 -3.156 2.016 8.740 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.761 0.715 8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.089 2.466 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.633 1.759 6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.472 5.256 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.077 4.491 7.594 1.00 0.00 H new ATOM 449 N ARG A 29 -4.278 -1.355 7.969 1.00 0.00 N ATOM 450 CA ARG A 29 -3.739 -2.571 7.421 1.00 0.00 C ATOM 451 C ARG A 29 -4.725 -3.117 6.438 1.00 0.00 C ATOM 452 O ARG A 29 -4.380 -3.459 5.308 1.00 0.00 O ATOM 453 CB ARG A 29 -3.536 -3.657 8.494 1.00 0.00 C ATOM 454 CG ARG A 29 -2.697 -4.846 7.997 1.00 0.00 C ATOM 455 CD ARG A 29 -2.338 -5.864 9.088 1.00 0.00 C ATOM 456 NE ARG A 29 -1.392 -5.222 10.059 1.00 0.00 N ATOM 457 CZ ARG A 29 -0.638 -5.944 10.945 1.00 0.00 C ATOM 458 NH1 ARG A 29 -0.723 -7.306 10.997 1.00 0.00 N ATOM 459 NH2 ARG A 29 0.215 -5.291 11.787 1.00 0.00 N ATOM 0 H ARG A 29 -4.753 -1.487 8.862 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.775 -2.331 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.049 -3.214 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.509 -4.020 8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.245 -5.357 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.777 -4.466 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.239 -6.197 9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.880 -6.747 8.643 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.307 -4.206 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.356 -7.802 10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.154 -7.827 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.286 -4.274 11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.781 -5.820 12.451 1.00 0.00 H new ATOM 473 N TYR A 30 -5.995 -3.213 6.898 1.00 0.00 N ATOM 474 CA TYR A 30 -7.089 -3.817 6.205 1.00 0.00 C ATOM 475 C TYR A 30 -7.715 -2.747 5.368 1.00 0.00 C ATOM 476 O TYR A 30 -8.749 -2.172 5.706 1.00 0.00 O ATOM 477 CB TYR A 30 -8.124 -4.401 7.193 1.00 0.00 C ATOM 478 CG TYR A 30 -7.465 -5.487 8.003 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.190 -6.738 7.423 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.068 -5.253 9.332 1.00 0.00 C ATOM 481 CE1 TYR A 30 -6.525 -7.731 8.152 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.394 -6.239 10.061 1.00 0.00 C ATOM 483 CZ TYR A 30 -6.118 -7.480 9.470 1.00 0.00 C ATOM 484 OH TYR A 30 -5.424 -8.473 10.198 1.00 0.00 O ATOM 0 H TYR A 30 -6.267 -2.844 7.809 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.737 -4.645 5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.502 -3.618 7.850 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.980 -4.802 6.650 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.495 -6.935 6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.286 -4.302 9.795 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.325 -8.691 7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.087 -6.044 11.078 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.215 -8.136 11.094 1.00 0.00 H new ATOM 494 N LEU A 31 -7.046 -2.483 4.227 1.00 0.00 N ATOM 495 CA LEU A 31 -7.427 -1.542 3.206 1.00 0.00 C ATOM 496 C LEU A 31 -8.713 -1.954 2.557 1.00 0.00 C ATOM 497 O LEU A 31 -9.120 -3.115 2.590 1.00 0.00 O ATOM 498 CB LEU A 31 -6.397 -1.436 2.050 1.00 0.00 C ATOM 499 CG LEU A 31 -4.974 -0.993 2.448 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.068 -1.009 1.202 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.946 0.391 3.116 1.00 0.00 C ATOM 0 H LEU A 31 -6.174 -2.962 4.000 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.505 -0.587 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.330 -2.407 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.781 -0.733 1.311 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.603 -1.700 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.061 -0.696 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.034 -2.018 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.467 -0.324 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.919 0.650 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.346 1.135 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.553 0.371 4.021 1.00 0.00 H new ATOM 513 N THR A 32 -9.361 -0.957 1.929 1.00 0.00 N ATOM 514 CA THR A 32 -10.545 -1.121 1.131 1.00 0.00 C ATOM 515 C THR A 32 -10.073 -0.915 -0.269 1.00 0.00 C ATOM 516 O THR A 32 -8.945 -0.489 -0.479 1.00 0.00 O ATOM 517 CB THR A 32 -11.672 -0.161 1.504 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.359 1.205 1.263 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.951 -0.313 3.003 1.00 0.00 C ATOM 0 H THR A 32 -9.047 0.012 1.978 1.00 0.00 H new ATOM 0 HA THR A 32 -10.993 -2.103 1.286 1.00 0.00 H new ATOM 0 HB THR A 32 -12.529 -0.418 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.121 1.765 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.754 0.364 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.247 -1.340 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.050 -0.071 3.567 1.00 0.00 H new ATOM 527 N GLU A 33 -10.933 -1.203 -1.265 1.00 0.00 N ATOM 528 CA GLU A 33 -10.647 -0.970 -2.661 1.00 0.00 C ATOM 529 C GLU A 33 -10.726 0.504 -2.947 1.00 0.00 C ATOM 530 O GLU A 33 -10.078 1.012 -3.857 1.00 0.00 O ATOM 531 CB GLU A 33 -11.676 -1.651 -3.594 1.00 0.00 C ATOM 532 CG GLU A 33 -11.623 -3.189 -3.575 1.00 0.00 C ATOM 533 CD GLU A 33 -12.186 -3.788 -2.286 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.394 -3.564 -2.004 1.00 0.00 O ATOM 535 OE2 GLU A 33 -11.414 -4.475 -1.565 1.00 0.00 O ATOM 0 H GLU A 33 -11.854 -1.609 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.655 -1.380 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.678 -1.329 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.509 -1.305 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.184 -3.577 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.590 -3.513 -3.699 1.00 0.00 H new ATOM 542 N GLN A 34 -11.558 1.200 -2.143 1.00 0.00 N ATOM 543 CA GLN A 34 -11.936 2.579 -2.307 1.00 0.00 C ATOM 544 C GLN A 34 -10.852 3.492 -1.802 1.00 0.00 C ATOM 545 O GLN A 34 -10.617 4.562 -2.364 1.00 0.00 O ATOM 546 CB GLN A 34 -13.259 2.865 -1.558 1.00 0.00 C ATOM 547 CG GLN A 34 -13.836 4.278 -1.748 1.00 0.00 C ATOM 548 CD GLN A 34 -14.113 4.545 -3.233 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.899 3.826 -3.865 1.00 0.00 O ATOM 550 NE2 GLN A 34 -13.450 5.601 -3.795 1.00 0.00 N ATOM 0 H GLN A 34 -11.995 0.773 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.082 2.769 -3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.005 2.140 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.097 2.698 -0.493 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.757 4.382 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.136 5.019 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.813 6.162 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.593 5.827 -4.779 1.00 0.00 H new ATOM 559 N ARG A 35 -10.129 3.058 -0.746 1.00 0.00 N ATOM 560 CA ARG A 35 -8.930 3.705 -0.280 1.00 0.00 C ATOM 561 C ARG A 35 -7.841 3.413 -1.254 1.00 0.00 C ATOM 562 O ARG A 35 -7.145 4.328 -1.670 1.00 0.00 O ATOM 563 CB ARG A 35 -8.399 3.151 1.061 1.00 0.00 C ATOM 564 CG ARG A 35 -8.967 3.857 2.308 1.00 0.00 C ATOM 565 CD ARG A 35 -8.473 3.291 3.649 1.00 0.00 C ATOM 566 NE ARG A 35 -6.991 3.109 3.550 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.045 3.989 3.998 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.344 5.046 4.802 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.748 3.801 3.622 1.00 0.00 N ATOM 0 H ARG A 35 -10.384 2.235 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.184 4.759 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.635 2.088 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.313 3.238 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.709 4.915 2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.055 3.793 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.721 3.970 4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.961 2.341 3.866 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.657 2.252 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.308 5.207 5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.604 5.677 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.500 3.017 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.025 4.445 3.944 1.00 0.00 H new ATOM 583 N ARG A 36 -7.673 2.111 -1.588 1.00 0.00 N ATOM 584 CA ARG A 36 -6.537 1.577 -2.320 1.00 0.00 C ATOM 585 C ARG A 36 -6.338 2.160 -3.700 1.00 0.00 C ATOM 586 O ARG A 36 -5.212 2.229 -4.192 1.00 0.00 O ATOM 587 CB ARG A 36 -6.637 0.048 -2.448 1.00 0.00 C ATOM 588 CG ARG A 36 -5.358 -0.676 -2.892 1.00 0.00 C ATOM 589 CD ARG A 36 -5.549 -2.197 -3.022 1.00 0.00 C ATOM 590 NE ARG A 36 -6.139 -2.739 -1.745 1.00 0.00 N ATOM 591 CZ ARG A 36 -7.287 -3.481 -1.682 1.00 0.00 C ATOM 592 NH1 ARG A 36 -7.957 -3.859 -2.808 1.00 0.00 N ATOM 593 NH2 ARG A 36 -7.781 -3.844 -0.461 1.00 0.00 N ATOM 0 H ARG A 36 -8.355 1.394 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.672 1.869 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.944 -0.358 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.429 -0.186 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.031 -0.272 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.564 -0.474 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.205 -2.422 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.593 -2.678 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.651 -2.540 -0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.604 -3.589 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.811 -4.412 -2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.295 -3.562 0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.636 -4.397 -0.401 1.00 0.00 H new ATOM 607 N GLN A 37 -7.432 2.618 -4.346 1.00 0.00 N ATOM 608 CA GLN A 37 -7.403 3.205 -5.670 1.00 0.00 C ATOM 609 C GLN A 37 -7.009 4.660 -5.611 1.00 0.00 C ATOM 610 O GLN A 37 -6.727 5.274 -6.638 1.00 0.00 O ATOM 611 CB GLN A 37 -8.777 3.109 -6.372 1.00 0.00 C ATOM 612 CG GLN A 37 -9.880 3.916 -5.667 1.00 0.00 C ATOM 613 CD GLN A 37 -11.256 3.527 -6.219 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.682 2.373 -6.095 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.961 4.523 -6.837 1.00 0.00 N ATOM 0 H GLN A 37 -8.367 2.582 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.665 2.639 -6.238 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.678 3.462 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.079 2.063 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.846 3.732 -4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.710 4.983 -5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.562 5.459 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.885 4.330 -7.223 1.00 0.00 H new ATOM 624 N SER A 38 -6.984 5.240 -4.388 1.00 0.00 N ATOM 625 CA SER A 38 -6.644 6.622 -4.151 1.00 0.00 C ATOM 626 C SER A 38 -5.230 6.659 -3.638 1.00 0.00 C ATOM 627 O SER A 38 -4.586 7.703 -3.666 1.00 0.00 O ATOM 628 CB SER A 38 -7.589 7.262 -3.114 1.00 0.00 C ATOM 629 OG SER A 38 -7.448 8.677 -3.053 1.00 0.00 O ATOM 0 H SER A 38 -7.208 4.730 -3.534 1.00 0.00 H new ATOM 0 HA SER A 38 -6.744 7.187 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.620 7.013 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.387 6.837 -2.131 1.00 0.00 H new ATOM 0 HG SER A 38 -8.067 9.039 -2.385 1.00 0.00 H new ATOM 635 N LEU A 39 -4.709 5.489 -3.190 1.00 0.00 N ATOM 636 CA LEU A 39 -3.315 5.290 -2.869 1.00 0.00 C ATOM 637 C LEU A 39 -2.602 5.035 -4.169 1.00 0.00 C ATOM 638 O LEU A 39 -1.414 5.321 -4.314 1.00 0.00 O ATOM 639 CB LEU A 39 -3.062 4.048 -1.990 1.00 0.00 C ATOM 640 CG LEU A 39 -3.941 3.920 -0.727 1.00 0.00 C ATOM 641 CD1 LEU A 39 -3.551 2.651 0.047 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.960 5.167 0.174 1.00 0.00 C ATOM 0 H LEU A 39 -5.277 4.654 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.971 6.170 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.209 3.158 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.017 4.053 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.971 3.834 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.173 2.563 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.700 1.777 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.503 2.711 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.603 4.984 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.948 5.384 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.343 6.018 -0.390 1.00 0.00 H new ATOM 654 N ALA A 40 -3.364 4.487 -5.150 1.00 0.00 N ATOM 655 CA ALA A 40 -2.922 4.248 -6.500 1.00 0.00 C ATOM 656 C ALA A 40 -2.845 5.548 -7.254 1.00 0.00 C ATOM 657 O ALA A 40 -2.087 5.676 -8.212 1.00 0.00 O ATOM 658 CB ALA A 40 -3.868 3.305 -7.263 1.00 0.00 C ATOM 0 H ALA A 40 -4.330 4.199 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.941 3.778 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.493 3.155 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.918 2.345 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.864 3.746 -7.306 1.00 0.00 H new ATOM 664 N GLN A 41 -3.626 6.562 -6.815 1.00 0.00 N ATOM 665 CA GLN A 41 -3.585 7.890 -7.372 1.00 0.00 C ATOM 666 C GLN A 41 -2.420 8.643 -6.775 1.00 0.00 C ATOM 667 O GLN A 41 -1.826 9.501 -7.430 1.00 0.00 O ATOM 668 CB GLN A 41 -4.900 8.648 -7.066 1.00 0.00 C ATOM 669 CG GLN A 41 -5.026 10.022 -7.743 1.00 0.00 C ATOM 670 CD GLN A 41 -6.392 10.624 -7.390 1.00 0.00 C ATOM 671 OE1 GLN A 41 -6.673 10.890 -6.215 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.250 10.835 -8.434 1.00 0.00 N ATOM 0 H GLN A 41 -4.300 6.457 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.468 7.817 -8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.741 8.028 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.983 8.781 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.225 10.682 -7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.926 9.921 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.965 10.597 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.174 11.231 -8.262 1.00 0.00 H new ATOM 681 N GLU A 42 -2.076 8.333 -5.500 1.00 0.00 N ATOM 682 CA GLU A 42 -1.222 9.148 -4.673 1.00 0.00 C ATOM 683 C GLU A 42 0.225 9.015 -5.011 1.00 0.00 C ATOM 684 O GLU A 42 0.840 9.940 -5.544 1.00 0.00 O ATOM 685 CB GLU A 42 -1.403 8.830 -3.170 1.00 0.00 C ATOM 686 CG GLU A 42 -0.772 9.879 -2.236 1.00 0.00 C ATOM 687 CD GLU A 42 -0.935 9.453 -0.781 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.098 9.220 -0.351 1.00 0.00 O ATOM 689 OE2 GLU A 42 0.105 9.358 -0.074 1.00 0.00 O ATOM 0 H GLU A 42 -2.403 7.488 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.532 10.173 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.468 8.753 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.963 7.856 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.286 9.997 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.244 10.849 -2.394 1.00 0.00 H new ATOM 696 N LEU A 43 0.793 7.832 -4.703 1.00 0.00 N ATOM 697 CA LEU A 43 2.171 7.480 -4.935 1.00 0.00 C ATOM 698 C LEU A 43 2.351 7.300 -6.408 1.00 0.00 C ATOM 699 O LEU A 43 3.402 7.598 -6.972 1.00 0.00 O ATOM 700 CB LEU A 43 2.506 6.146 -4.234 1.00 0.00 C ATOM 701 CG LEU A 43 2.323 6.202 -2.702 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.467 4.811 -2.062 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.283 7.198 -2.026 1.00 0.00 C ATOM 0 H LEU A 43 0.264 7.076 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 43 2.824 8.261 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.871 5.359 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.536 5.872 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 43 1.307 6.559 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.332 4.891 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.712 4.141 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.459 4.414 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.110 7.196 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.313 6.905 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.106 8.199 -2.420 1.00 0.00 H new ATOM 715 N GLY A 44 1.259 6.835 -7.046 1.00 0.00 N ATOM 716 CA GLY A 44 1.170 6.668 -8.471 1.00 0.00 C ATOM 717 C GLY A 44 1.363 5.218 -8.749 1.00 0.00 C ATOM 718 O GLY A 44 2.060 4.840 -9.687 1.00 0.00 O ATOM 0 H GLY A 44 0.407 6.565 -6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.202 7.006 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.930 7.263 -8.978 1.00 0.00 H new ATOM 722 N LEU A 45 0.726 4.374 -7.906 1.00 0.00 N ATOM 723 CA LEU A 45 0.803 2.932 -8.033 1.00 0.00 C ATOM 724 C LEU A 45 -0.419 2.469 -8.781 1.00 0.00 C ATOM 725 O LEU A 45 -1.092 3.253 -9.450 1.00 0.00 O ATOM 726 CB LEU A 45 0.886 2.218 -6.659 1.00 0.00 C ATOM 727 CG LEU A 45 2.185 2.523 -5.881 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.006 2.185 -4.395 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.399 1.774 -6.464 1.00 0.00 C ATOM 0 H LEU A 45 0.150 4.689 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 45 1.716 2.677 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.031 2.515 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.809 1.142 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 45 2.385 3.590 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.929 2.405 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.194 2.783 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.768 1.127 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.290 2.019 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.220 0.700 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.547 2.073 -7.502 1.00 0.00 H new ATOM 741 N ASN A 46 -0.720 1.156 -8.686 1.00 0.00 N ATOM 742 CA ASN A 46 -1.960 0.572 -9.123 1.00 0.00 C ATOM 743 C ASN A 46 -2.569 0.047 -7.857 1.00 0.00 C ATOM 744 O ASN A 46 -1.995 0.187 -6.778 1.00 0.00 O ATOM 745 CB ASN A 46 -1.779 -0.605 -10.114 1.00 0.00 C ATOM 746 CG ASN A 46 -1.071 -0.095 -11.377 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.615 0.749 -12.101 1.00 0.00 O ATOM 748 ND2 ASN A 46 0.165 -0.619 -11.633 1.00 0.00 N ATOM 0 H ASN A 46 -0.075 0.473 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.560 1.310 -9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.195 -1.400 -9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.748 -1.031 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.687 -0.316 -12.456 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.566 -1.313 -11.002 1.00 0.00 H new ATOM 755 N GLU A 47 -3.760 -0.584 -7.956 1.00 0.00 N ATOM 756 CA GLU A 47 -4.354 -1.314 -6.859 1.00 0.00 C ATOM 757 C GLU A 47 -3.622 -2.605 -6.689 1.00 0.00 C ATOM 758 O GLU A 47 -3.393 -3.070 -5.578 1.00 0.00 O ATOM 759 CB GLU A 47 -5.842 -1.646 -7.088 1.00 0.00 C ATOM 760 CG GLU A 47 -6.638 -0.372 -7.392 1.00 0.00 C ATOM 761 CD GLU A 47 -8.112 -0.565 -7.046 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.414 -0.796 -5.843 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.959 -0.475 -7.975 1.00 0.00 O ATOM 0 H GLU A 47 -4.322 -0.590 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.283 -0.676 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.940 -2.349 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.251 -2.135 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.231 0.463 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.537 -0.116 -8.447 1.00 0.00 H new ATOM 770 N SER A 48 -3.226 -3.174 -7.846 1.00 0.00 N ATOM 771 CA SER A 48 -2.567 -4.450 -8.019 1.00 0.00 C ATOM 772 C SER A 48 -1.239 -4.519 -7.308 1.00 0.00 C ATOM 773 O SER A 48 -0.872 -5.568 -6.786 1.00 0.00 O ATOM 774 CB SER A 48 -2.309 -4.766 -9.510 1.00 0.00 C ATOM 775 OG SER A 48 -3.531 -4.784 -10.234 1.00 0.00 O ATOM 0 H SER A 48 -3.378 -2.705 -8.739 1.00 0.00 H new ATOM 0 HA SER A 48 -3.251 -5.180 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.639 -4.019 -9.935 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.811 -5.731 -9.602 1.00 0.00 H new ATOM 0 HG SER A 48 -3.350 -4.984 -11.176 1.00 0.00 H new ATOM 781 N GLN A 49 -0.503 -3.384 -7.260 1.00 0.00 N ATOM 782 CA GLN A 49 0.780 -3.255 -6.614 1.00 0.00 C ATOM 783 C GLN A 49 0.652 -3.396 -5.120 1.00 0.00 C ATOM 784 O GLN A 49 1.468 -4.056 -4.481 1.00 0.00 O ATOM 785 CB GLN A 49 1.383 -1.856 -6.886 1.00 0.00 C ATOM 786 CG GLN A 49 1.790 -1.615 -8.350 1.00 0.00 C ATOM 787 CD GLN A 49 2.967 -2.518 -8.735 1.00 0.00 C ATOM 788 OE1 GLN A 49 2.814 -3.441 -9.543 1.00 0.00 O ATOM 789 NE2 GLN A 49 4.165 -2.228 -8.139 1.00 0.00 N ATOM 0 H GLN A 49 -0.817 -2.515 -7.692 1.00 0.00 H new ATOM 0 HA GLN A 49 1.418 -4.042 -7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.657 -1.097 -6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.259 -1.721 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.943 -1.812 -9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.065 -0.570 -8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.232 -1.453 -7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.991 -2.787 -8.355 1.00 0.00 H new ATOM 798 N ILE A 50 -0.389 -2.757 -4.543 1.00 0.00 N ATOM 799 CA ILE A 50 -0.574 -2.594 -3.122 1.00 0.00 C ATOM 800 C ILE A 50 -1.206 -3.843 -2.546 1.00 0.00 C ATOM 801 O ILE A 50 -0.985 -4.172 -1.384 1.00 0.00 O ATOM 802 CB ILE A 50 -1.387 -1.340 -2.812 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.819 -0.136 -3.604 1.00 0.00 C ATOM 804 CG2 ILE A 50 -1.362 -1.051 -1.298 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.625 1.150 -3.438 1.00 0.00 C ATOM 0 H ILE A 50 -1.138 -2.333 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 50 0.397 -2.456 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.422 -1.502 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.207 0.046 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.781 -0.395 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.945 -0.154 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.790 -1.896 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.333 -0.898 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.164 1.946 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.645 0.988 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.642 1.436 -2.386 1.00 0.00 H new ATOM 817 N LYS A 51 -1.969 -4.617 -3.360 1.00 0.00 N ATOM 818 CA LYS A 51 -2.550 -5.886 -2.974 1.00 0.00 C ATOM 819 C LYS A 51 -1.471 -6.892 -2.665 1.00 0.00 C ATOM 820 O LYS A 51 -1.577 -7.649 -1.703 1.00 0.00 O ATOM 821 CB LYS A 51 -3.424 -6.475 -4.103 1.00 0.00 C ATOM 822 CG LYS A 51 -4.789 -5.785 -4.250 1.00 0.00 C ATOM 823 CD LYS A 51 -5.532 -6.206 -5.527 1.00 0.00 C ATOM 824 CE LYS A 51 -6.850 -5.447 -5.728 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.476 -5.802 -7.023 1.00 0.00 N ATOM 0 H LYS A 51 -2.190 -4.352 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.163 -5.694 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.884 -6.398 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.582 -7.537 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.405 -6.019 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.646 -4.704 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.887 -6.038 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.737 -7.276 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.535 -5.680 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.665 -4.373 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.366 -5.275 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.829 -5.558 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.673 -6.823 -7.045 1.00 0.00 H new ATOM 839 N ILE A 52 -0.388 -6.893 -3.476 1.00 0.00 N ATOM 840 CA ILE A 52 0.750 -7.754 -3.362 1.00 0.00 C ATOM 841 C ILE A 52 1.562 -7.368 -2.153 1.00 0.00 C ATOM 842 O ILE A 52 1.906 -8.222 -1.339 1.00 0.00 O ATOM 843 CB ILE A 52 1.548 -7.658 -4.656 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.748 -8.328 -5.802 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.950 -8.262 -4.481 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.379 -8.165 -7.189 1.00 0.00 C ATOM 0 H ILE A 52 -0.307 -6.248 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 52 0.448 -8.792 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 52 1.698 -6.611 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.645 -9.391 -5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.258 -7.908 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.500 -8.182 -5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.484 -7.722 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.862 -9.312 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.757 -8.663 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.456 -7.105 -7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.374 -8.611 -7.191 1.00 0.00 H new ATOM 858 N TRP A 53 1.863 -6.057 -2.023 1.00 0.00 N ATOM 859 CA TRP A 53 2.720 -5.467 -1.015 1.00 0.00 C ATOM 860 C TRP A 53 2.241 -5.742 0.391 1.00 0.00 C ATOM 861 O TRP A 53 3.053 -6.038 1.266 1.00 0.00 O ATOM 862 CB TRP A 53 2.856 -3.928 -1.208 1.00 0.00 C ATOM 863 CG TRP A 53 3.957 -3.232 -0.409 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.239 -2.951 -0.787 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.814 -2.721 0.932 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.907 -2.305 0.229 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.051 -2.149 1.294 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.744 -2.718 1.816 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.231 -1.564 2.545 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.924 -2.149 3.082 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.156 -1.586 3.443 1.00 0.00 C ATOM 0 H TRP A 53 1.485 -5.358 -2.662 1.00 0.00 H new ATOM 0 HA TRP A 53 3.693 -5.940 -1.147 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.027 -3.731 -2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.903 -3.467 -0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.668 -3.200 -1.746 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.878 -1.993 0.197 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.793 -3.145 1.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.172 -1.107 2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.106 -2.144 3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.278 -1.163 4.429 1.00 0.00 H new ATOM 882 N PHE A 54 0.909 -5.647 0.635 1.00 0.00 N ATOM 883 CA PHE A 54 0.313 -5.783 1.947 1.00 0.00 C ATOM 884 C PHE A 54 0.327 -7.213 2.401 1.00 0.00 C ATOM 885 O PHE A 54 0.602 -7.465 3.570 1.00 0.00 O ATOM 886 CB PHE A 54 -1.150 -5.263 2.013 1.00 0.00 C ATOM 887 CG PHE A 54 -1.150 -3.830 2.480 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.730 -2.793 1.635 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.502 -3.515 3.804 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.621 -1.478 2.099 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.405 -2.199 4.272 1.00 0.00 C ATOM 892 CZ PHE A 54 -0.948 -1.185 3.426 1.00 0.00 C ATOM 0 H PHE A 54 0.225 -5.470 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 54 0.924 -5.167 2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.619 -5.338 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.737 -5.879 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.486 -3.014 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.850 -4.294 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.286 -0.694 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.684 -1.967 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.848 -0.176 3.797 1.00 0.00 H new ATOM 902 N GLN A 55 0.046 -8.176 1.490 1.00 0.00 N ATOM 903 CA GLN A 55 -0.033 -9.584 1.794 1.00 0.00 C ATOM 904 C GLN A 55 1.326 -10.188 2.037 1.00 0.00 C ATOM 905 O GLN A 55 1.448 -11.182 2.754 1.00 0.00 O ATOM 906 CB GLN A 55 -0.731 -10.361 0.657 1.00 0.00 C ATOM 907 CG GLN A 55 -2.227 -10.024 0.510 1.00 0.00 C ATOM 908 CD GLN A 55 -2.992 -10.444 1.774 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.021 -11.630 2.124 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.617 -9.442 2.465 1.00 0.00 N ATOM 0 H GLN A 55 -0.132 -7.967 0.508 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.620 -9.668 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.224 -10.146 -0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.624 -11.430 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.351 -8.955 0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.639 -10.536 -0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.560 -8.480 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.139 -9.657 3.314 1.00 0.00 H new ATOM 919 N ASN A 56 2.386 -9.570 1.469 1.00 0.00 N ATOM 920 CA ASN A 56 3.765 -9.941 1.666 1.00 0.00 C ATOM 921 C ASN A 56 4.211 -9.472 3.025 1.00 0.00 C ATOM 922 O ASN A 56 4.948 -10.167 3.721 1.00 0.00 O ATOM 923 CB ASN A 56 4.679 -9.245 0.632 1.00 0.00 C ATOM 924 CG ASN A 56 4.522 -9.868 -0.763 1.00 0.00 C ATOM 925 OD1 ASN A 56 3.855 -10.892 -0.952 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.173 -9.207 -1.768 1.00 0.00 N ATOM 0 H ASN A 56 2.278 -8.773 0.842 1.00 0.00 H new ATOM 0 HA ASN A 56 3.838 -11.024 1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.438 -8.183 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.718 -9.322 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.121 -9.555 -2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.711 -8.366 -1.560 1.00 0.00 H new ATOM 933 N LYS A 57 3.745 -8.267 3.417 1.00 0.00 N ATOM 934 CA LYS A 57 4.034 -7.611 4.667 1.00 0.00 C ATOM 935 C LYS A 57 3.410 -8.243 5.882 1.00 0.00 C ATOM 936 O LYS A 57 3.759 -7.879 7.003 1.00 0.00 O ATOM 937 CB LYS A 57 3.613 -6.123 4.622 1.00 0.00 C ATOM 938 CG LYS A 57 4.776 -5.210 4.227 1.00 0.00 C ATOM 939 CD LYS A 57 5.792 -5.081 5.370 1.00 0.00 C ATOM 940 CE LYS A 57 5.322 -4.150 6.495 1.00 0.00 C ATOM 941 NZ LYS A 57 6.288 -4.136 7.617 1.00 0.00 N ATOM 0 H LYS A 57 3.126 -7.714 2.824 1.00 0.00 H new ATOM 0 HA LYS A 57 5.113 -7.716 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.797 -5.999 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.233 -5.824 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.270 -5.608 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.394 -4.224 3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.990 -6.069 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.735 -4.709 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.198 -3.139 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.346 -4.475 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.783 -4.297 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.993 -4.887 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.767 -3.213 7.651 1.00 0.00 H new ATOM 955 N ARG A 58 2.502 -9.220 5.686 1.00 0.00 N ATOM 956 CA ARG A 58 1.863 -9.967 6.752 1.00 0.00 C ATOM 957 C ARG A 58 2.811 -11.005 7.287 1.00 0.00 C ATOM 958 O ARG A 58 2.757 -11.355 8.463 1.00 0.00 O ATOM 959 CB ARG A 58 0.569 -10.706 6.321 1.00 0.00 C ATOM 960 CG ARG A 58 -0.498 -9.803 5.681 1.00 0.00 C ATOM 961 CD ARG A 58 -0.978 -8.639 6.561 1.00 0.00 C ATOM 962 NE ARG A 58 -1.778 -7.686 5.721 1.00 0.00 N ATOM 963 CZ ARG A 58 -3.135 -7.762 5.559 1.00 0.00 C ATOM 964 NH1 ARG A 58 -3.864 -8.750 6.149 1.00 0.00 N ATOM 965 NH2 ARG A 58 -3.767 -6.825 4.789 1.00 0.00 N ATOM 0 H ARG A 58 2.196 -9.507 4.756 1.00 0.00 H new ATOM 0 HA ARG A 58 1.593 -9.224 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.833 -11.492 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.137 -11.195 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.098 -9.395 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.359 -10.416 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.585 -9.015 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.125 -8.125 7.003 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.280 -6.936 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.399 -9.452 6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.874 -8.788 6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.228 -6.082 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.778 -6.869 4.659 1.00 0.00 H new ATOM 979 N ALA A 59 3.719 -11.499 6.414 1.00 0.00 N ATOM 980 CA ALA A 59 4.728 -12.476 6.746 1.00 0.00 C ATOM 981 C ALA A 59 5.871 -11.831 7.487 1.00 0.00 C ATOM 982 O ALA A 59 6.567 -12.495 8.253 1.00 0.00 O ATOM 983 CB ALA A 59 5.307 -13.154 5.490 1.00 0.00 C ATOM 0 H ALA A 59 3.753 -11.207 5.437 1.00 0.00 H new ATOM 0 HA ALA A 59 4.238 -13.224 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.063 -13.882 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.508 -13.660 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.761 -12.401 4.846 1.00 0.00 H new ATOM 989 N LYS A 60 6.079 -10.508 7.276 1.00 0.00 N ATOM 990 CA LYS A 60 7.142 -9.746 7.882 1.00 0.00 C ATOM 991 C LYS A 60 6.865 -9.498 9.342 1.00 0.00 C ATOM 992 O LYS A 60 7.766 -9.644 10.166 1.00 0.00 O ATOM 993 CB LYS A 60 7.345 -8.373 7.195 1.00 0.00 C ATOM 994 CG LYS A 60 7.703 -8.462 5.699 1.00 0.00 C ATOM 995 CD LYS A 60 9.065 -9.101 5.382 1.00 0.00 C ATOM 996 CE LYS A 60 10.262 -8.257 5.845 1.00 0.00 C ATOM 997 NZ LYS A 60 11.542 -8.889 5.451 1.00 0.00 N ATOM 0 H LYS A 60 5.486 -9.950 6.662 1.00 0.00 H new ATOM 0 HA LYS A 60 8.046 -10.344 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.433 -7.786 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.136 -7.833 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.926 -9.033 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.686 -7.456 5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.117 -10.081 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.140 -9.263 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.197 -7.259 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.230 -8.137 6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.329 -8.407 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.533 -9.892 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.664 -8.813 4.421 1.00 0.00 H new ATOM 1011 N ILE A 61 5.609 -9.121 9.699 1.00 0.00 N ATOM 1012 CA ILE A 61 5.220 -8.783 11.037 1.00 0.00 C ATOM 1013 C ILE A 61 5.015 -10.058 11.806 1.00 0.00 C ATOM 1014 O ILE A 61 5.642 -10.268 12.844 1.00 0.00 O ATOM 1015 CB ILE A 61 4.040 -7.804 11.023 1.00 0.00 C ATOM 1016 CG1 ILE A 61 3.676 -7.262 12.423 1.00 0.00 C ATOM 1017 CG2 ILE A 61 2.811 -8.318 10.235 1.00 0.00 C ATOM 1018 CD1 ILE A 61 2.706 -8.143 13.213 1.00 0.00 C ATOM 0 H ILE A 61 4.844 -9.051 9.028 1.00 0.00 H new ATOM 0 HA ILE A 61 6.000 -8.235 11.566 1.00 0.00 H new ATOM 0 HB ILE A 61 4.401 -6.944 10.459 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.592 -7.143 13.002 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.238 -6.270 12.312 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.018 -7.571 10.270 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.093 -8.499 9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.455 -9.247 10.681 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.507 -7.686 14.182 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.772 -8.243 12.660 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.147 -9.129 13.360 1.00 0.00 H new ATOM 1030 N LYS A 62 4.154 -10.950 11.278 1.00 0.00 N ATOM 1031 CA LYS A 62 3.849 -12.233 11.851 1.00 0.00 C ATOM 1032 C LYS A 62 4.617 -13.239 11.053 1.00 0.00 C ATOM 1033 O LYS A 62 4.187 -13.681 9.990 1.00 0.00 O ATOM 1034 CB LYS A 62 2.335 -12.564 11.835 1.00 0.00 C ATOM 1035 CG LYS A 62 1.951 -13.960 12.365 1.00 0.00 C ATOM 1036 CD LYS A 62 2.404 -14.248 13.806 1.00 0.00 C ATOM 1037 CE LYS A 62 1.985 -15.642 14.289 1.00 0.00 C ATOM 1038 NZ LYS A 62 2.462 -15.893 15.669 1.00 0.00 N ATOM 0 H LYS A 62 3.646 -10.771 10.412 1.00 0.00 H new ATOM 0 HA LYS A 62 4.130 -12.240 12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.811 -11.814 12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.972 -12.472 10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.868 -14.069 12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.381 -14.715 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.489 -14.157 13.867 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.983 -13.495 14.472 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.899 -15.731 14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.389 -16.400 13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.050 -16.751 15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.025 -15.082 15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.646 -16.023 16.300 1.00 0.00 H new ATOM 1052 N LYS A 63 5.802 -13.609 11.583 1.00 0.00 N ATOM 1053 CA LYS A 63 6.669 -14.614 11.032 1.00 0.00 C ATOM 1054 C LYS A 63 6.493 -15.837 11.893 1.00 0.00 C ATOM 1055 O LYS A 63 5.489 -15.969 12.594 1.00 0.00 O ATOM 1056 CB LYS A 63 8.140 -14.127 10.996 1.00 0.00 C ATOM 1057 CG LYS A 63 8.644 -13.542 12.327 1.00 0.00 C ATOM 1058 CD LYS A 63 10.088 -13.018 12.269 1.00 0.00 C ATOM 1059 CE LYS A 63 10.259 -11.765 11.398 1.00 0.00 C ATOM 1060 NZ LYS A 63 11.661 -11.288 11.423 1.00 0.00 N ATOM 0 H LYS A 63 6.173 -13.188 12.435 1.00 0.00 H new ATOM 0 HA LYS A 63 6.415 -14.838 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.781 -14.962 10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.241 -13.370 10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.984 -12.728 12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.577 -14.309 13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.424 -12.794 13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.735 -13.807 11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.965 -11.988 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.596 -10.976 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.750 -10.441 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.931 -11.054 12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.288 -12.034 11.060 1.00 0.00 H new ATOM 1074 N ALA A 64 7.466 -16.780 11.845 1.00 0.00 N ATOM 1075 CA ALA A 64 7.427 -18.012 12.596 1.00 0.00 C ATOM 1076 C ALA A 64 7.807 -17.713 14.021 1.00 0.00 C ATOM 1077 O ALA A 64 6.942 -17.652 14.893 1.00 0.00 O ATOM 1078 CB ALA A 64 8.373 -19.081 12.014 1.00 0.00 C ATOM 0 H ALA A 64 8.302 -16.683 11.269 1.00 0.00 H new ATOM 0 HA ALA A 64 6.417 -18.418 12.540 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.308 -19.989 12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.084 -19.302 10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.397 -18.708 12.030 1.00 0.00 H new ATOM 1084 N THR A 65 9.119 -17.492 14.272 1.00 0.00 N ATOM 1085 CA THR A 65 9.627 -17.118 15.569 1.00 0.00 C ATOM 1086 C THR A 65 9.740 -15.621 15.534 1.00 0.00 C ATOM 1087 O THR A 65 10.612 -15.071 14.864 1.00 0.00 O ATOM 1088 CB THR A 65 10.979 -17.738 15.891 1.00 0.00 C ATOM 1089 OG1 THR A 65 10.885 -19.155 15.810 1.00 0.00 O ATOM 1090 CG2 THR A 65 11.424 -17.342 17.316 1.00 0.00 C ATOM 0 H THR A 65 9.843 -17.575 13.559 1.00 0.00 H new ATOM 0 HA THR A 65 8.957 -17.480 16.349 1.00 0.00 H new ATOM 0 HB THR A 65 11.712 -17.372 15.172 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.757 -19.553 16.016 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.393 -17.792 17.533 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.505 -16.257 17.384 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.689 -17.697 18.038 1.00 0.00 H new ATOM 1098 N GLN A 66 8.828 -14.935 16.262 1.00 0.00 N ATOM 1099 CA GLN A 66 8.769 -13.497 16.332 1.00 0.00 C ATOM 1100 C GLN A 66 9.741 -13.059 17.390 1.00 0.00 C ATOM 1101 O GLN A 66 10.802 -12.518 17.081 1.00 0.00 O ATOM 1102 CB GLN A 66 7.352 -12.979 16.682 1.00 0.00 C ATOM 1103 CG GLN A 66 6.315 -13.272 15.582 1.00 0.00 C ATOM 1104 CD GLN A 66 4.947 -12.762 16.052 1.00 0.00 C ATOM 1105 OE1 GLN A 66 4.292 -13.408 16.880 1.00 0.00 O ATOM 1106 NE2 GLN A 66 4.524 -11.577 15.520 1.00 0.00 N ATOM 0 H GLN A 66 8.109 -15.395 16.820 1.00 0.00 H new ATOM 0 HA GLN A 66 9.020 -13.085 15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.024 -13.438 17.615 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.397 -11.904 16.854 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.602 -12.783 14.651 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.271 -14.342 15.379 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.105 -11.087 14.840 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.627 -11.183 15.802 1.00 0.00 H new ATOM 1115 N ALA A 67 9.397 -13.315 18.674 1.00 0.00 N ATOM 1116 CA ALA A 67 10.233 -13.004 19.803 1.00 0.00 C ATOM 1117 C ALA A 67 11.245 -14.145 19.981 1.00 0.00 C ATOM 1118 O ALA A 67 12.472 -13.866 19.889 1.00 0.00 O ATOM 1119 CB ALA A 67 9.423 -12.856 21.106 1.00 0.00 C ATOM 1120 OXT ALA A 67 10.804 -15.304 20.206 1.00 0.00 O ATOM 0 H ALA A 67 8.512 -13.751 18.933 1.00 0.00 H new ATOM 0 HA ALA A 67 10.727 -12.052 19.608 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.098 -12.622 21.929 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.696 -12.052 20.993 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.902 -13.790 21.319 1.00 0.00 H new TER 1126 ALA A 67