USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 4 MET CE :methyl -145:sc= -0.102 (180deg=-2.67!) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 GLN : amide:sc= -1.92 K(o=-14,f=-11) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -12.3! C(o=-14!,f=-17!) USER MOD Set 3.1: A 31 LYS NZ :NH3+ -175:sc= 0.0746 (180deg=0) USER MOD Set 3.2: A 33 THR OG1 : rot -165:sc= -2.13 USER MOD Set 3.3: A 37 LYS NZ :NH3+ -145:sc= -2.22 (180deg=-4.4!) USER MOD Set 4.1: A 13 MET CE :methyl 173:sc= -2.63! (180deg=-3!) USER MOD Set 4.2: A 17 ASN : amide:sc= -0.837 X(o=-3.5,f=-3.3) USER MOD Set 5.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -31:sc= 0.467 USER MOD Single : A 3 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.964 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.533 (180deg=-1.91!) USER MOD Single : A 27 ASN : amide:sc= -5.38! K(o=-5.4!,f=-2.4) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= -4.29! (180deg=-4.45!) USER MOD Single : A 42 MET CE :methyl 142:sc= -4.59! (180deg=-8.11!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= -1.16 (180deg=-4.02!) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -1.58 (180deg=-2.46) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 139:sc= -7.79! (180deg=-11!) USER MOD Single : A 69 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.0094) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= 0.0907 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -12.614 -14.472 10.248 1.00 0.00 N ATOM 2 CA SER A 2 -12.758 -15.897 10.525 1.00 0.00 C ATOM 3 C SER A 2 -11.500 -16.448 11.187 1.00 0.00 C ATOM 4 O SER A 2 -11.568 -17.093 12.233 1.00 0.00 O ATOM 5 CB SER A 2 -13.047 -16.663 9.232 1.00 0.00 C ATOM 6 OG SER A 2 -12.397 -16.061 8.125 1.00 0.00 O ATOM 0 HA SER A 2 -13.596 -16.028 11.210 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.714 -17.696 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.122 -16.691 9.055 1.00 0.00 H new ATOM 0 HG SER A 2 -12.328 -15.095 8.272 1.00 0.00 H new ATOM 12 N HIS A 3 -10.352 -16.185 10.571 1.00 0.00 N ATOM 13 CA HIS A 3 -9.075 -16.650 11.098 1.00 0.00 C ATOM 14 C HIS A 3 -8.785 -16.007 12.452 1.00 0.00 C ATOM 15 O HIS A 3 -9.494 -15.095 12.879 1.00 0.00 O ATOM 16 CB HIS A 3 -7.951 -16.327 10.110 1.00 0.00 C ATOM 17 CG HIS A 3 -6.676 -17.061 10.389 1.00 0.00 C ATOM 18 ND1 HIS A 3 -5.627 -16.505 11.091 1.00 0.00 N ATOM 19 CD2 HIS A 3 -6.284 -18.315 10.061 1.00 0.00 C ATOM 20 CE1 HIS A 3 -4.645 -17.385 11.180 1.00 0.00 C ATOM 21 NE2 HIS A 3 -5.019 -18.491 10.564 1.00 0.00 N ATOM 0 H HIS A 3 -10.280 -15.651 9.705 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.130 -17.730 11.234 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.286 -16.568 9.101 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.755 -15.255 10.133 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.860 -19.042 9.507 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.697 -17.226 11.673 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.459 -19.339 10.476 1.00 0.00 H new ATOM 30 N MET A 4 -7.741 -16.487 13.124 1.00 0.00 N ATOM 31 CA MET A 4 -7.358 -15.958 14.432 1.00 0.00 C ATOM 32 C MET A 4 -7.319 -14.429 14.420 1.00 0.00 C ATOM 33 O MET A 4 -7.446 -13.804 13.367 1.00 0.00 O ATOM 34 CB MET A 4 -5.994 -16.515 14.849 1.00 0.00 C ATOM 35 CG MET A 4 -6.066 -17.498 16.005 1.00 0.00 C ATOM 36 SD MET A 4 -6.116 -19.216 15.457 1.00 0.00 S ATOM 37 CE MET A 4 -7.745 -19.290 14.713 1.00 0.00 C ATOM 0 H MET A 4 -7.145 -17.242 12.785 1.00 0.00 H new ATOM 0 HA MET A 4 -8.110 -16.273 15.156 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.535 -17.008 13.992 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.342 -15.687 15.127 1.00 0.00 H new ATOM 0 HG2 MET A 4 -5.202 -17.353 16.654 1.00 0.00 H new ATOM 0 HG3 MET A 4 -6.953 -17.286 16.602 1.00 0.00 H new ATOM 0 HE1 MET A 4 -8.181 -20.274 14.888 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.383 -18.526 15.157 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.663 -19.115 13.640 1.00 0.00 H new ATOM 47 N PRO A 5 -7.144 -13.806 15.597 1.00 0.00 N ATOM 48 CA PRO A 5 -7.093 -12.349 15.719 1.00 0.00 C ATOM 49 C PRO A 5 -5.721 -11.783 15.350 1.00 0.00 C ATOM 50 O PRO A 5 -4.695 -12.413 15.604 1.00 0.00 O ATOM 51 CB PRO A 5 -7.386 -12.130 17.204 1.00 0.00 C ATOM 52 CG PRO A 5 -6.811 -13.326 17.873 1.00 0.00 C ATOM 53 CD PRO A 5 -6.984 -14.471 16.907 1.00 0.00 C ATOM 0 HA PRO A 5 -7.790 -11.848 15.047 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.927 -11.211 17.569 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.457 -12.047 17.390 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.758 -13.172 18.109 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.322 -13.530 18.814 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.120 -15.135 16.915 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.855 -15.077 17.157 1.00 0.00 H new ATOM 61 N LYS A 6 -5.706 -10.588 14.758 1.00 0.00 N ATOM 62 CA LYS A 6 -4.450 -9.945 14.368 1.00 0.00 C ATOM 63 C LYS A 6 -4.190 -8.691 15.203 1.00 0.00 C ATOM 64 O LYS A 6 -3.333 -7.872 14.872 1.00 0.00 O ATOM 65 CB LYS A 6 -4.460 -9.598 12.877 1.00 0.00 C ATOM 66 CG LYS A 6 -5.449 -8.505 12.507 1.00 0.00 C ATOM 67 CD LYS A 6 -4.820 -7.469 11.588 1.00 0.00 C ATOM 68 CE LYS A 6 -5.069 -7.799 10.126 1.00 0.00 C ATOM 69 NZ LYS A 6 -4.089 -7.124 9.229 1.00 0.00 N ATOM 0 H LYS A 6 -6.543 -10.048 14.539 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.642 -10.652 14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.459 -9.285 12.580 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.696 -10.496 12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.316 -8.948 12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.809 -8.018 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.228 -6.484 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.747 -7.420 11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.010 -8.878 9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.080 -7.496 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.293 -7.375 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.163 -6.093 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.126 -7.432 9.473 1.00 0.00 H new ATOM 83 N ARG A 7 -4.934 -8.565 16.293 1.00 0.00 N ATOM 84 CA ARG A 7 -4.812 -7.441 17.214 1.00 0.00 C ATOM 85 C ARG A 7 -4.697 -6.092 16.497 1.00 0.00 C ATOM 86 O ARG A 7 -4.125 -5.147 17.039 1.00 0.00 O ATOM 87 CB ARG A 7 -3.631 -7.653 18.162 1.00 0.00 C ATOM 88 CG ARG A 7 -4.060 -7.991 19.584 1.00 0.00 C ATOM 89 CD ARG A 7 -4.416 -6.737 20.367 1.00 0.00 C ATOM 90 NE ARG A 7 -3.244 -6.136 20.998 1.00 0.00 N ATOM 91 CZ ARG A 7 -2.681 -6.600 22.112 1.00 0.00 C ATOM 92 NH1 ARG A 7 -3.180 -7.669 22.721 1.00 0.00 N ATOM 93 NH2 ARG A 7 -1.616 -5.994 22.619 1.00 0.00 N ATOM 0 H ARG A 7 -5.645 -9.244 16.566 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.735 -7.406 17.793 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.004 -8.457 17.777 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.019 -6.751 18.178 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.919 -8.662 19.557 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.256 -8.523 20.092 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.880 -6.012 19.699 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.153 -6.984 21.131 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.832 -5.312 20.559 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.999 -8.140 22.336 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.744 -8.020 23.574 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.228 -5.172 22.156 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.185 -6.350 23.472 1.00 0.00 H new ATOM 107 N ALA A 8 -5.287 -5.997 15.301 1.00 0.00 N ATOM 108 CA ALA A 8 -5.308 -4.749 14.525 1.00 0.00 C ATOM 109 C ALA A 8 -4.088 -4.551 13.629 1.00 0.00 C ATOM 110 O ALA A 8 -3.147 -5.344 13.634 1.00 0.00 O ATOM 111 CB ALA A 8 -5.484 -3.556 15.444 1.00 0.00 C ATOM 0 H ALA A 8 -5.761 -6.776 14.844 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.163 -4.832 13.854 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.497 -2.640 14.853 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.424 -3.651 15.987 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.657 -3.518 16.153 1.00 0.00 H new ATOM 117 N THR A 9 -4.152 -3.476 12.839 1.00 0.00 N ATOM 118 CA THR A 9 -3.104 -3.118 11.885 1.00 0.00 C ATOM 119 C THR A 9 -2.546 -1.717 12.169 1.00 0.00 C ATOM 120 O THR A 9 -3.284 -0.817 12.560 1.00 0.00 O ATOM 121 CB THR A 9 -3.693 -3.152 10.473 1.00 0.00 C ATOM 122 OG1 THR A 9 -4.889 -3.912 10.446 1.00 0.00 O ATOM 123 CG2 THR A 9 -2.763 -3.735 9.441 1.00 0.00 C ATOM 0 H THR A 9 -4.938 -2.827 12.845 1.00 0.00 H new ATOM 0 HA THR A 9 -2.287 -3.833 11.979 1.00 0.00 H new ATOM 0 HB THR A 9 -3.876 -2.108 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.251 -3.920 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.250 -3.726 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.850 -3.141 9.397 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.515 -4.761 9.713 1.00 0.00 H new ATOM 131 N THR A 10 -1.244 -1.537 11.952 1.00 0.00 N ATOM 132 CA THR A 10 -0.590 -0.251 12.161 1.00 0.00 C ATOM 133 C THR A 10 -1.014 0.714 11.084 1.00 0.00 C ATOM 134 O THR A 10 -1.374 0.297 9.984 1.00 0.00 O ATOM 135 CB THR A 10 0.934 -0.417 12.148 1.00 0.00 C ATOM 136 OG1 THR A 10 1.293 -1.750 11.826 1.00 0.00 O ATOM 137 CG2 THR A 10 1.584 -0.074 13.470 1.00 0.00 C ATOM 0 H THR A 10 -0.618 -2.275 11.628 1.00 0.00 H new ATOM 0 HA THR A 10 -0.886 0.142 13.134 1.00 0.00 H new ATOM 0 HB THR A 10 1.293 0.281 11.392 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.269 -1.834 11.821 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.662 -0.213 13.392 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.369 0.964 13.723 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.190 -0.726 14.249 1.00 0.00 H new ATOM 145 N ALA A 11 -0.956 2.007 11.385 1.00 0.00 N ATOM 146 CA ALA A 11 -1.319 3.000 10.404 1.00 0.00 C ATOM 147 C ALA A 11 -0.635 2.656 9.099 1.00 0.00 C ATOM 148 O ALA A 11 -1.238 2.694 8.026 1.00 0.00 O ATOM 149 CB ALA A 11 -0.916 4.380 10.881 1.00 0.00 C ATOM 0 H ALA A 11 -0.665 2.379 12.289 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.399 3.005 10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.196 5.120 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.424 4.604 11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.162 4.411 11.036 1.00 0.00 H new ATOM 155 N PHE A 12 0.646 2.335 9.213 1.00 0.00 N ATOM 156 CA PHE A 12 1.480 1.990 8.066 1.00 0.00 C ATOM 157 C PHE A 12 1.047 0.693 7.401 1.00 0.00 C ATOM 158 O PHE A 12 1.081 0.566 6.181 1.00 0.00 O ATOM 159 CB PHE A 12 2.923 1.830 8.545 1.00 0.00 C ATOM 160 CG PHE A 12 3.938 1.780 7.440 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.958 0.723 6.543 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.879 2.785 7.305 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.896 0.673 5.530 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.820 2.741 6.294 1.00 0.00 C ATOM 165 CZ PHE A 12 5.828 1.685 5.405 1.00 0.00 C ATOM 0 H PHE A 12 1.139 2.306 10.105 1.00 0.00 H new ATOM 0 HA PHE A 12 1.383 2.790 7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.167 2.659 9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.999 0.916 9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.232 -0.071 6.637 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.878 3.614 7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.901 -0.156 4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.549 3.532 6.199 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.562 1.650 4.613 1.00 0.00 H new ATOM 175 N MET A 13 0.677 -0.284 8.206 1.00 0.00 N ATOM 176 CA MET A 13 0.285 -1.567 7.680 1.00 0.00 C ATOM 177 C MET A 13 -1.063 -1.461 7.010 1.00 0.00 C ATOM 178 O MET A 13 -1.222 -1.847 5.854 1.00 0.00 O ATOM 179 CB MET A 13 0.255 -2.613 8.794 1.00 0.00 C ATOM 180 CG MET A 13 1.524 -3.446 8.878 1.00 0.00 C ATOM 181 SD MET A 13 1.387 -5.012 7.993 1.00 0.00 S ATOM 182 CE MET A 13 0.278 -4.559 6.661 1.00 0.00 C ATOM 0 H MET A 13 0.641 -0.210 9.223 1.00 0.00 H new ATOM 0 HA MET A 13 1.018 -1.883 6.937 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.095 -2.111 9.748 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.596 -3.276 8.636 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.357 -2.874 8.470 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.756 -3.644 9.925 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.196 -5.388 5.958 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.706 -4.330 7.069 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.669 -3.683 6.144 1.00 0.00 H new ATOM 192 N LEU A 14 -2.042 -0.954 7.743 1.00 0.00 N ATOM 193 CA LEU A 14 -3.376 -0.828 7.208 1.00 0.00 C ATOM 194 C LEU A 14 -3.391 0.025 5.946 1.00 0.00 C ATOM 195 O LEU A 14 -4.199 -0.206 5.045 1.00 0.00 O ATOM 196 CB LEU A 14 -4.347 -0.348 8.319 1.00 0.00 C ATOM 197 CG LEU A 14 -4.978 1.069 8.275 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.692 1.798 9.567 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.516 1.944 7.129 1.00 0.00 C ATOM 0 H LEU A 14 -1.933 -0.627 8.703 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.737 -1.805 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.170 -1.062 8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.813 -0.430 9.266 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.044 0.895 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.137 2.792 9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.118 1.240 10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.614 1.888 9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.014 2.912 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.437 2.086 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.764 1.464 6.182 1.00 0.00 H new ATOM 211 N TRP A 15 -2.481 0.996 5.866 1.00 0.00 N ATOM 212 CA TRP A 15 -2.401 1.850 4.690 1.00 0.00 C ATOM 213 C TRP A 15 -1.677 1.102 3.608 1.00 0.00 C ATOM 214 O TRP A 15 -2.138 1.019 2.474 1.00 0.00 O ATOM 215 CB TRP A 15 -1.671 3.164 4.993 1.00 0.00 C ATOM 216 CG TRP A 15 -0.864 3.697 3.834 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.264 4.613 2.901 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.480 3.339 3.487 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.244 4.858 2.006 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.836 4.084 2.343 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.421 2.464 4.031 1.00 0.00 C ATOM 222 CZ2 TRP A 15 2.100 3.965 1.754 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.655 2.363 3.426 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.967 3.106 2.318 1.00 0.00 C ATOM 0 H TRP A 15 -1.798 1.206 6.594 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.412 2.105 4.371 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.403 3.915 5.289 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.008 3.012 5.845 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.238 5.078 2.870 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.286 5.509 1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.187 1.878 4.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.368 4.541 0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.390 1.685 3.833 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.948 2.997 1.880 1.00 0.00 H new ATOM 235 N LEU A 16 -0.549 0.522 3.981 1.00 0.00 N ATOM 236 CA LEU A 16 0.217 -0.252 3.041 1.00 0.00 C ATOM 237 C LEU A 16 -0.612 -1.409 2.549 1.00 0.00 C ATOM 238 O LEU A 16 -0.330 -1.978 1.524 1.00 0.00 O ATOM 239 CB LEU A 16 1.495 -0.803 3.654 1.00 0.00 C ATOM 240 CG LEU A 16 2.301 -1.644 2.671 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.813 -0.761 1.564 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.455 -2.350 3.363 1.00 0.00 C ATOM 0 H LEU A 16 -0.153 0.576 4.919 1.00 0.00 H new ATOM 0 HA LEU A 16 0.489 0.413 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.110 0.024 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.244 -1.409 4.525 1.00 0.00 H new ATOM 0 HG LEU A 16 1.650 -2.413 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.390 -1.359 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.971 -0.302 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.449 0.018 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.010 -2.941 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.119 -1.610 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.066 -3.006 4.142 1.00 0.00 H new ATOM 254 N ASN A 17 -1.634 -1.758 3.291 1.00 0.00 N ATOM 255 CA ASN A 17 -2.497 -2.855 2.933 1.00 0.00 C ATOM 256 C ASN A 17 -3.408 -2.464 1.775 1.00 0.00 C ATOM 257 O ASN A 17 -3.426 -3.088 0.685 1.00 0.00 O ATOM 258 CB ASN A 17 -3.352 -3.188 4.172 1.00 0.00 C ATOM 259 CG ASN A 17 -3.113 -4.585 4.698 1.00 0.00 C ATOM 260 OD1 ASN A 17 -2.948 -5.535 3.932 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.097 -4.714 6.020 1.00 0.00 N ATOM 0 H ASN A 17 -1.890 -1.289 4.160 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.904 -3.714 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.135 -2.467 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.406 -3.077 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.943 -5.630 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.239 -3.897 6.614 1.00 0.00 H new ATOM 268 N ASP A 18 -4.080 -1.351 2.003 1.00 0.00 N ATOM 269 CA ASP A 18 -4.974 -0.782 1.033 1.00 0.00 C ATOM 270 C ASP A 18 -4.214 -0.120 -0.087 1.00 0.00 C ATOM 271 O ASP A 18 -4.722 0.002 -1.201 1.00 0.00 O ATOM 272 CB ASP A 18 -5.916 0.223 1.700 1.00 0.00 C ATOM 273 CG ASP A 18 -7.376 -0.077 1.419 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.882 -1.096 1.934 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.012 0.706 0.682 1.00 0.00 O ATOM 0 H ASP A 18 -4.015 -0.820 2.872 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.566 -1.592 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.747 0.215 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.680 1.227 1.347 1.00 0.00 H new ATOM 280 N THR A 19 -3.000 0.324 0.197 1.00 0.00 N ATOM 281 CA THR A 19 -2.189 0.983 -0.795 1.00 0.00 C ATOM 282 C THR A 19 -1.115 0.066 -1.339 1.00 0.00 C ATOM 283 O THR A 19 -0.680 0.255 -2.457 1.00 0.00 O ATOM 284 CB THR A 19 -1.567 2.216 -0.174 1.00 0.00 C ATOM 285 OG1 THR A 19 -2.083 3.399 -0.759 1.00 0.00 O ATOM 286 CG2 THR A 19 -0.056 2.272 -0.264 1.00 0.00 C ATOM 0 H THR A 19 -2.560 0.236 1.113 1.00 0.00 H new ATOM 0 HA THR A 19 -2.823 1.266 -1.635 1.00 0.00 H new ATOM 0 HB THR A 19 -1.833 2.147 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.666 4.180 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.303 3.188 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.371 1.410 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.247 2.258 -1.311 1.00 0.00 H new ATOM 294 N ARG A 20 -0.696 -0.942 -0.564 1.00 0.00 N ATOM 295 CA ARG A 20 0.323 -1.870 -1.053 1.00 0.00 C ATOM 296 C ARG A 20 -0.180 -2.435 -2.335 1.00 0.00 C ATOM 297 O ARG A 20 0.565 -2.611 -3.300 1.00 0.00 O ATOM 298 CB ARG A 20 0.623 -3.006 -0.059 1.00 0.00 C ATOM 299 CG ARG A 20 0.661 -4.395 -0.678 1.00 0.00 C ATOM 300 CD ARG A 20 1.455 -5.367 0.180 1.00 0.00 C ATOM 301 NE ARG A 20 0.586 -6.213 0.994 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.107 -7.244 0.516 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.034 -7.560 -0.771 1.00 0.00 N ATOM 304 NH2 ARG A 20 -0.872 -7.962 1.326 1.00 0.00 N ATOM 0 H ARG A 20 -1.037 -1.131 0.378 1.00 0.00 H new ATOM 0 HA ARG A 20 1.261 -1.330 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.583 -2.809 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.133 -2.993 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.356 -4.766 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.105 -4.339 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.075 -5.994 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.130 -4.810 0.829 1.00 0.00 H new ATOM 0 HE ARG A 20 0.505 -6.001 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.555 -7.012 -1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.567 -8.351 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.930 -7.725 2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.403 -8.752 0.959 1.00 0.00 H new ATOM 318 N GLU A 21 -1.475 -2.661 -2.355 1.00 0.00 N ATOM 319 CA GLU A 21 -2.084 -3.149 -3.581 1.00 0.00 C ATOM 320 C GLU A 21 -1.907 -2.069 -4.651 1.00 0.00 C ATOM 321 O GLU A 21 -1.626 -2.343 -5.825 1.00 0.00 O ATOM 322 CB GLU A 21 -3.568 -3.470 -3.369 1.00 0.00 C ATOM 323 CG GLU A 21 -4.447 -2.240 -3.224 1.00 0.00 C ATOM 324 CD GLU A 21 -5.821 -2.565 -2.672 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.640 -3.140 -3.420 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.078 -2.246 -1.492 1.00 0.00 O ATOM 0 H GLU A 21 -2.111 -2.522 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.602 -4.075 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.926 -4.063 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.673 -4.087 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.956 -1.523 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.555 -1.759 -4.196 1.00 0.00 H new ATOM 333 N SER A 22 -2.097 -0.831 -4.207 1.00 0.00 N ATOM 334 CA SER A 22 -2.000 0.332 -5.079 1.00 0.00 C ATOM 335 C SER A 22 -0.570 0.567 -5.559 1.00 0.00 C ATOM 336 O SER A 22 -0.343 1.259 -6.548 1.00 0.00 O ATOM 337 CB SER A 22 -2.519 1.578 -4.361 1.00 0.00 C ATOM 338 OG SER A 22 -3.733 1.307 -3.681 1.00 0.00 O ATOM 0 H SER A 22 -2.321 -0.607 -3.238 1.00 0.00 H new ATOM 0 HA SER A 22 -2.617 0.134 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.771 1.930 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.674 2.379 -5.083 1.00 0.00 H new ATOM 0 HG SER A 22 -4.043 2.119 -3.229 1.00 0.00 H new ATOM 344 N ILE A 23 0.381 0.000 -4.836 1.00 0.00 N ATOM 345 CA ILE A 23 1.789 0.155 -5.155 1.00 0.00 C ATOM 346 C ILE A 23 2.221 -0.767 -6.262 1.00 0.00 C ATOM 347 O ILE A 23 2.969 -0.370 -7.156 1.00 0.00 O ATOM 348 CB ILE A 23 2.678 -0.131 -3.948 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.169 0.632 -2.740 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.116 0.238 -4.262 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.070 0.541 -1.530 1.00 0.00 C ATOM 0 H ILE A 23 0.200 -0.578 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 23 1.903 1.193 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 23 2.644 -1.196 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.047 1.681 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.182 0.254 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.743 0.030 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.465 -0.350 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.174 1.299 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.636 1.113 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.173 -0.502 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.051 0.947 -1.776 1.00 0.00 H new ATOM 363 N LYS A 24 1.773 -2.006 -6.202 1.00 0.00 N ATOM 364 CA LYS A 24 2.163 -2.942 -7.222 1.00 0.00 C ATOM 365 C LYS A 24 1.549 -2.539 -8.556 1.00 0.00 C ATOM 366 O LYS A 24 2.120 -2.797 -9.612 1.00 0.00 O ATOM 367 CB LYS A 24 1.809 -4.374 -6.842 1.00 0.00 C ATOM 368 CG LYS A 24 2.964 -5.344 -7.038 1.00 0.00 C ATOM 369 CD LYS A 24 3.751 -5.555 -5.751 1.00 0.00 C ATOM 370 CE LYS A 24 3.462 -6.921 -5.141 1.00 0.00 C ATOM 371 NZ LYS A 24 3.439 -8.001 -6.168 1.00 0.00 N ATOM 0 H LYS A 24 1.157 -2.375 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 24 3.248 -2.912 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.493 -4.400 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.960 -4.703 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.579 -6.301 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.630 -4.964 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.818 -5.465 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.497 -4.774 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.220 -7.150 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.502 -6.891 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.794 -8.885 -5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.464 -8.142 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.043 -7.730 -6.970 1.00 0.00 H new ATOM 385 N ARG A 25 0.400 -1.863 -8.505 1.00 0.00 N ATOM 386 CA ARG A 25 -0.238 -1.386 -9.727 1.00 0.00 C ATOM 387 C ARG A 25 0.629 -0.285 -10.344 1.00 0.00 C ATOM 388 O ARG A 25 0.937 -0.306 -11.536 1.00 0.00 O ATOM 389 CB ARG A 25 -1.640 -0.852 -9.429 1.00 0.00 C ATOM 390 CG ARG A 25 -2.730 -1.907 -9.542 1.00 0.00 C ATOM 391 CD ARG A 25 -3.805 -1.713 -8.485 1.00 0.00 C ATOM 392 NE ARG A 25 -4.323 -0.348 -8.474 1.00 0.00 N ATOM 393 CZ ARG A 25 -5.437 0.018 -7.844 1.00 0.00 C ATOM 394 NH1 ARG A 25 -6.152 -0.877 -7.171 1.00 0.00 N ATOM 395 NH2 ARG A 25 -5.839 1.281 -7.886 1.00 0.00 N ATOM 0 H ARG A 25 -0.099 -1.638 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.335 -2.213 -10.430 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.654 -0.433 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.863 -0.036 -10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.181 -1.861 -10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.290 -2.899 -9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.623 -2.409 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.396 -1.953 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.800 0.368 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.848 -1.850 -7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.005 -0.591 -6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.294 1.973 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.693 1.561 -7.403 1.00 0.00 H new ATOM 409 N GLU A 26 1.033 0.660 -9.498 1.00 0.00 N ATOM 410 CA GLU A 26 1.887 1.760 -9.935 1.00 0.00 C ATOM 411 C GLU A 26 3.297 1.241 -10.200 1.00 0.00 C ATOM 412 O GLU A 26 4.104 1.908 -10.846 1.00 0.00 O ATOM 413 CB GLU A 26 1.916 2.925 -8.934 1.00 0.00 C ATOM 414 CG GLU A 26 1.877 2.514 -7.475 1.00 0.00 C ATOM 415 CD GLU A 26 2.961 3.184 -6.651 1.00 0.00 C ATOM 416 OE1 GLU A 26 3.101 4.421 -6.749 1.00 0.00 O ATOM 417 OE2 GLU A 26 3.670 2.472 -5.909 1.00 0.00 O ATOM 0 H GLU A 26 0.783 0.686 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 26 1.463 2.158 -10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.818 3.511 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.067 3.579 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.902 2.763 -7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.987 1.432 -7.403 1.00 0.00 H new ATOM 424 N ASN A 27 3.572 0.022 -9.730 1.00 0.00 N ATOM 425 CA ASN A 27 4.857 -0.609 -9.949 1.00 0.00 C ATOM 426 C ASN A 27 4.665 -2.111 -10.119 1.00 0.00 C ATOM 427 O ASN A 27 5.071 -2.902 -9.268 1.00 0.00 O ATOM 428 CB ASN A 27 5.820 -0.311 -8.799 1.00 0.00 C ATOM 429 CG ASN A 27 6.014 1.175 -8.578 1.00 0.00 C ATOM 430 OD1 ASN A 27 7.060 1.733 -8.911 1.00 0.00 O ATOM 431 ND2 ASN A 27 5.006 1.826 -8.013 1.00 0.00 N ATOM 0 H ASN A 27 2.913 -0.542 -9.194 1.00 0.00 H new ATOM 0 HA ASN A 27 5.298 -0.201 -10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.440 -0.765 -7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.785 -0.773 -9.008 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.080 2.828 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.157 1.324 -7.753 1.00 0.00 H new ATOM 438 N PRO A 28 4.017 -2.525 -11.228 1.00 0.00 N ATOM 439 CA PRO A 28 3.738 -3.939 -11.518 1.00 0.00 C ATOM 440 C PRO A 28 4.995 -4.741 -11.832 1.00 0.00 C ATOM 441 O PRO A 28 5.029 -5.506 -12.795 1.00 0.00 O ATOM 442 CB PRO A 28 2.821 -3.891 -12.751 1.00 0.00 C ATOM 443 CG PRO A 28 2.376 -2.472 -12.864 1.00 0.00 C ATOM 444 CD PRO A 28 3.483 -1.646 -12.279 1.00 0.00 C ATOM 0 HA PRO A 28 3.293 -4.435 -10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.353 -4.208 -13.648 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.969 -4.561 -12.633 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.194 -2.201 -13.904 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.442 -2.311 -12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.240 -1.397 -13.023 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.115 -0.704 -11.872 1.00 0.00 H new ATOM 452 N GLY A 29 6.023 -4.567 -11.013 1.00 0.00 N ATOM 453 CA GLY A 29 7.260 -5.284 -11.222 1.00 0.00 C ATOM 454 C GLY A 29 8.180 -5.221 -10.020 1.00 0.00 C ATOM 455 O GLY A 29 9.368 -5.519 -10.132 1.00 0.00 O ATOM 0 H GLY A 29 6.020 -3.941 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.037 -6.326 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.773 -4.870 -12.090 1.00 0.00 H new ATOM 459 N ILE A 30 7.641 -4.835 -8.863 1.00 0.00 N ATOM 460 CA ILE A 30 8.438 -4.747 -7.661 1.00 0.00 C ATOM 461 C ILE A 30 8.404 -6.056 -6.891 1.00 0.00 C ATOM 462 O ILE A 30 8.312 -7.133 -7.479 1.00 0.00 O ATOM 463 CB ILE A 30 7.983 -3.571 -6.759 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.660 -3.858 -6.030 1.00 0.00 C ATOM 465 CG2 ILE A 30 7.836 -2.326 -7.593 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.182 -2.691 -5.187 1.00 0.00 C ATOM 0 H ILE A 30 6.660 -4.582 -8.743 1.00 0.00 H new ATOM 0 HA ILE A 30 9.466 -4.552 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 30 8.749 -3.435 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.894 -4.107 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.786 -4.733 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.516 -1.499 -6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.793 -2.081 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.092 -2.495 -8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.244 -2.955 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.932 -2.457 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.026 -1.821 -5.825 1.00 0.00 H new ATOM 478 N LYS A 31 8.496 -5.955 -5.584 1.00 0.00 N ATOM 479 CA LYS A 31 8.497 -7.095 -4.727 1.00 0.00 C ATOM 480 C LYS A 31 7.817 -6.763 -3.421 1.00 0.00 C ATOM 481 O LYS A 31 7.887 -5.644 -2.922 1.00 0.00 O ATOM 482 CB LYS A 31 9.935 -7.548 -4.503 1.00 0.00 C ATOM 483 CG LYS A 31 10.733 -6.635 -3.588 1.00 0.00 C ATOM 484 CD LYS A 31 12.163 -7.124 -3.425 1.00 0.00 C ATOM 485 CE LYS A 31 13.132 -5.968 -3.232 1.00 0.00 C ATOM 486 NZ LYS A 31 13.761 -5.990 -1.882 1.00 0.00 N ATOM 0 H LYS A 31 8.573 -5.065 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 31 7.942 -7.910 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.927 -8.553 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.440 -7.611 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.737 -5.624 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.251 -6.584 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.223 -7.796 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.453 -7.700 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.909 -6.014 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.604 -5.025 -3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.349 -5.141 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.019 -6.006 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.355 -6.839 -1.790 1.00 0.00 H new ATOM 500 N VAL A 32 7.172 -7.768 -2.888 1.00 0.00 N ATOM 501 CA VAL A 32 6.461 -7.691 -1.625 1.00 0.00 C ATOM 502 C VAL A 32 7.155 -6.762 -0.623 1.00 0.00 C ATOM 503 O VAL A 32 6.506 -6.099 0.185 1.00 0.00 O ATOM 504 CB VAL A 32 6.379 -9.109 -1.026 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.228 -10.080 -1.836 1.00 0.00 C ATOM 506 CG2 VAL A 32 6.818 -9.126 0.424 1.00 0.00 C ATOM 0 H VAL A 32 7.122 -8.688 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 32 5.469 -7.282 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 32 5.336 -9.423 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.158 -11.076 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.867 -10.109 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.267 -9.751 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.747 -10.142 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.849 -8.781 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.174 -8.468 1.007 1.00 0.00 H new ATOM 516 N THR A 33 8.476 -6.770 -0.665 1.00 0.00 N ATOM 517 CA THR A 33 9.290 -5.976 0.263 1.00 0.00 C ATOM 518 C THR A 33 9.526 -4.548 -0.226 1.00 0.00 C ATOM 519 O THR A 33 9.780 -3.645 0.575 1.00 0.00 O ATOM 520 CB THR A 33 10.633 -6.665 0.514 1.00 0.00 C ATOM 521 OG1 THR A 33 11.274 -6.984 -0.708 1.00 0.00 O ATOM 522 CG2 THR A 33 10.509 -7.943 1.316 1.00 0.00 C ATOM 0 H THR A 33 9.018 -7.318 -1.333 1.00 0.00 H new ATOM 0 HA THR A 33 8.726 -5.909 1.194 1.00 0.00 H new ATOM 0 HB THR A 33 11.220 -5.949 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.998 -7.623 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.497 -8.381 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.067 -7.721 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.873 -8.648 0.781 1.00 0.00 H new ATOM 530 N GLU A 34 9.408 -4.330 -1.526 1.00 0.00 N ATOM 531 CA GLU A 34 9.582 -2.997 -2.079 1.00 0.00 C ATOM 532 C GLU A 34 8.360 -2.156 -1.748 1.00 0.00 C ATOM 533 O GLU A 34 8.456 -0.949 -1.529 1.00 0.00 O ATOM 534 CB GLU A 34 9.783 -3.066 -3.599 1.00 0.00 C ATOM 535 CG GLU A 34 9.386 -1.794 -4.338 1.00 0.00 C ATOM 536 CD GLU A 34 10.389 -1.400 -5.404 1.00 0.00 C ATOM 537 OE1 GLU A 34 10.699 -2.246 -6.269 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.865 -0.246 -5.374 1.00 0.00 O ATOM 0 H GLU A 34 9.194 -5.053 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 34 10.469 -2.540 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.831 -3.282 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.202 -3.899 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.409 -1.937 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.284 -0.979 -3.621 1.00 0.00 H new ATOM 545 N ILE A 35 7.211 -2.815 -1.722 1.00 0.00 N ATOM 546 CA ILE A 35 5.957 -2.165 -1.430 1.00 0.00 C ATOM 547 C ILE A 35 5.976 -1.605 -0.030 1.00 0.00 C ATOM 548 O ILE A 35 5.494 -0.502 0.226 1.00 0.00 O ATOM 549 CB ILE A 35 4.780 -3.158 -1.535 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.846 -3.960 -2.832 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.455 -2.432 -1.439 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.311 -5.365 -2.692 1.00 0.00 C ATOM 0 H ILE A 35 7.129 -3.815 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 35 5.825 -1.365 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 35 4.861 -3.853 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.280 -3.438 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.881 -4.005 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.640 -3.151 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.393 -1.913 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.377 -1.708 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.387 -5.880 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.893 -5.903 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.267 -5.327 -2.382 1.00 0.00 H new ATOM 564 N ALA A 36 6.519 -2.394 0.880 1.00 0.00 N ATOM 565 CA ALA A 36 6.579 -2.008 2.268 1.00 0.00 C ATOM 566 C ALA A 36 7.691 -1.010 2.553 1.00 0.00 C ATOM 567 O ALA A 36 7.670 -0.337 3.584 1.00 0.00 O ATOM 568 CB ALA A 36 6.735 -3.234 3.149 1.00 0.00 C ATOM 0 H ALA A 36 6.924 -3.308 0.676 1.00 0.00 H new ATOM 0 HA ALA A 36 5.638 -1.510 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.779 -2.928 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.884 -3.899 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.654 -3.757 2.885 1.00 0.00 H new ATOM 574 N LYS A 37 8.666 -0.911 1.658 1.00 0.00 N ATOM 575 CA LYS A 37 9.768 0.019 1.868 1.00 0.00 C ATOM 576 C LYS A 37 9.477 1.361 1.205 1.00 0.00 C ATOM 577 O LYS A 37 9.535 2.419 1.852 1.00 0.00 O ATOM 578 CB LYS A 37 11.089 -0.576 1.356 1.00 0.00 C ATOM 579 CG LYS A 37 11.331 -0.394 -0.136 1.00 0.00 C ATOM 580 CD LYS A 37 12.662 -0.993 -0.563 1.00 0.00 C ATOM 581 CE LYS A 37 12.677 -2.506 -0.397 1.00 0.00 C ATOM 582 NZ LYS A 37 12.707 -3.207 -1.710 1.00 0.00 N ATOM 0 H LYS A 37 8.717 -1.452 0.795 1.00 0.00 H new ATOM 0 HA LYS A 37 9.871 0.190 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.914 -0.119 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.105 -1.641 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.523 -0.864 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.313 0.668 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.858 -0.739 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.465 -0.554 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.547 -2.798 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.795 -2.819 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.154 -4.085 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.298 -2.592 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.691 -3.434 -1.960 1.00 0.00 H new ATOM 596 N LYS A 38 9.142 1.331 -0.079 1.00 0.00 N ATOM 597 CA LYS A 38 8.844 2.566 -0.764 1.00 0.00 C ATOM 598 C LYS A 38 7.552 3.140 -0.198 1.00 0.00 C ATOM 599 O LYS A 38 7.452 4.338 0.037 1.00 0.00 O ATOM 600 CB LYS A 38 8.794 2.367 -2.287 1.00 0.00 C ATOM 601 CG LYS A 38 7.671 3.117 -3.000 1.00 0.00 C ATOM 602 CD LYS A 38 6.313 2.447 -2.823 1.00 0.00 C ATOM 603 CE LYS A 38 6.433 0.944 -2.616 1.00 0.00 C ATOM 604 NZ LYS A 38 6.938 0.256 -3.837 1.00 0.00 N ATOM 0 H LYS A 38 9.073 0.487 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 38 9.643 3.287 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.747 2.683 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.689 1.302 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.621 4.137 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.902 3.185 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.801 2.889 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.697 2.643 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.106 0.745 -1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.459 0.536 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.958 -0.771 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.310 0.467 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.899 0.591 -4.052 1.00 0.00 H new ATOM 618 N GLY A 39 6.564 2.282 0.046 1.00 0.00 N ATOM 619 CA GLY A 39 5.329 2.764 0.596 1.00 0.00 C ATOM 620 C GLY A 39 5.577 3.701 1.766 1.00 0.00 C ATOM 621 O GLY A 39 4.978 4.771 1.868 1.00 0.00 O ATOM 0 H GLY A 39 6.604 1.278 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.763 3.284 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.721 1.921 0.924 1.00 0.00 H new ATOM 625 N GLY A 40 6.481 3.303 2.635 1.00 0.00 N ATOM 626 CA GLY A 40 6.822 4.120 3.780 1.00 0.00 C ATOM 627 C GLY A 40 7.318 5.484 3.362 1.00 0.00 C ATOM 628 O GLY A 40 6.963 6.490 3.968 1.00 0.00 O ATOM 0 H GLY A 40 6.991 2.422 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.948 4.231 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.589 3.618 4.370 1.00 0.00 H new ATOM 632 N GLU A 41 8.138 5.525 2.315 1.00 0.00 N ATOM 633 CA GLU A 41 8.663 6.799 1.823 1.00 0.00 C ATOM 634 C GLU A 41 7.524 7.777 1.525 1.00 0.00 C ATOM 635 O GLU A 41 7.558 8.939 1.930 1.00 0.00 O ATOM 636 CB GLU A 41 9.515 6.581 0.559 1.00 0.00 C ATOM 637 CG GLU A 41 8.713 6.484 -0.740 1.00 0.00 C ATOM 638 CD GLU A 41 9.587 6.608 -1.973 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.589 5.869 -2.068 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.270 7.446 -2.844 1.00 0.00 O ATOM 0 H GLU A 41 8.451 4.704 1.796 1.00 0.00 H new ATOM 0 HA GLU A 41 9.294 7.227 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.227 7.402 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.096 5.667 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.185 5.531 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.956 7.268 -0.755 1.00 0.00 H new ATOM 647 N MET A 42 6.531 7.286 0.795 1.00 0.00 N ATOM 648 CA MET A 42 5.373 8.078 0.400 1.00 0.00 C ATOM 649 C MET A 42 4.400 8.237 1.550 1.00 0.00 C ATOM 650 O MET A 42 3.754 9.275 1.700 1.00 0.00 O ATOM 651 CB MET A 42 4.666 7.376 -0.747 1.00 0.00 C ATOM 652 CG MET A 42 4.289 5.947 -0.404 1.00 0.00 C ATOM 653 SD MET A 42 3.640 5.047 -1.822 1.00 0.00 S ATOM 654 CE MET A 42 1.962 4.763 -1.283 1.00 0.00 C ATOM 0 H MET A 42 6.506 6.323 0.459 1.00 0.00 H new ATOM 0 HA MET A 42 5.717 9.067 0.098 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.767 7.933 -1.012 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.312 7.378 -1.625 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.165 5.426 -0.017 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.544 5.952 0.391 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.285 4.863 -2.132 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.878 3.758 -0.869 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.697 5.494 -0.519 1.00 0.00 H new ATOM 664 N TRP A 43 4.291 7.191 2.347 1.00 0.00 N ATOM 665 CA TRP A 43 3.396 7.178 3.476 1.00 0.00 C ATOM 666 C TRP A 43 3.791 8.230 4.519 1.00 0.00 C ATOM 667 O TRP A 43 2.938 8.957 5.022 1.00 0.00 O ATOM 668 CB TRP A 43 3.392 5.762 4.031 1.00 0.00 C ATOM 669 CG TRP A 43 3.009 5.625 5.449 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.853 5.469 6.487 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.690 5.588 5.973 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.139 5.334 7.656 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.798 5.405 7.358 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.427 5.695 5.398 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.679 5.320 8.180 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.684 5.612 6.212 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.552 5.425 7.591 1.00 0.00 C ATOM 0 H TRP A 43 4.823 6.329 2.225 1.00 0.00 H new ATOM 0 HA TRP A 43 2.385 7.450 3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.710 5.160 3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.388 5.339 3.902 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.930 5.452 6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.537 5.203 8.586 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.318 5.840 4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.778 5.176 9.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.669 5.693 5.778 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.439 5.362 8.204 1.00 0.00 H new ATOM 688 N LYS A 44 5.080 8.308 4.849 1.00 0.00 N ATOM 689 CA LYS A 44 5.564 9.279 5.836 1.00 0.00 C ATOM 690 C LYS A 44 4.853 10.627 5.690 1.00 0.00 C ATOM 691 O LYS A 44 4.329 11.170 6.662 1.00 0.00 O ATOM 692 CB LYS A 44 7.075 9.472 5.690 1.00 0.00 C ATOM 693 CG LYS A 44 7.783 9.744 7.007 1.00 0.00 C ATOM 694 CD LYS A 44 8.006 8.464 7.793 1.00 0.00 C ATOM 695 CE LYS A 44 9.183 7.672 7.247 1.00 0.00 C ATOM 696 NZ LYS A 44 10.450 7.995 7.960 1.00 0.00 N ATOM 0 H LYS A 44 5.807 7.714 4.450 1.00 0.00 H new ATOM 0 HA LYS A 44 5.342 8.884 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.504 8.580 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.263 10.301 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.742 10.225 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.192 10.440 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.184 8.706 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.105 7.851 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.977 6.606 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.301 7.883 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.228 7.434 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.661 9.008 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.347 7.769 8.970 1.00 0.00 H new ATOM 710 N GLU A 45 4.828 11.152 4.467 1.00 0.00 N ATOM 711 CA GLU A 45 4.170 12.427 4.192 1.00 0.00 C ATOM 712 C GLU A 45 2.787 12.188 3.594 1.00 0.00 C ATOM 713 O GLU A 45 2.434 12.750 2.556 1.00 0.00 O ATOM 714 CB GLU A 45 5.018 13.270 3.238 1.00 0.00 C ATOM 715 CG GLU A 45 6.308 13.779 3.860 1.00 0.00 C ATOM 716 CD GLU A 45 6.079 14.934 4.815 1.00 0.00 C ATOM 717 OE1 GLU A 45 5.568 14.690 5.929 1.00 0.00 O ATOM 718 OE2 GLU A 45 6.409 16.081 4.450 1.00 0.00 O ATOM 0 H GLU A 45 5.256 10.714 3.651 1.00 0.00 H new ATOM 0 HA GLU A 45 4.059 12.970 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.259 12.675 2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.429 14.121 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.797 12.963 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.988 14.096 3.069 1.00 0.00 H new ATOM 725 N LEU A 46 2.018 11.329 4.254 1.00 0.00 N ATOM 726 CA LEU A 46 0.678 10.980 3.797 1.00 0.00 C ATOM 727 C LEU A 46 -0.397 11.807 4.501 1.00 0.00 C ATOM 728 O LEU A 46 -0.386 11.945 5.724 1.00 0.00 O ATOM 729 CB LEU A 46 0.427 9.490 4.049 1.00 0.00 C ATOM 730 CG LEU A 46 -0.647 8.839 3.180 1.00 0.00 C ATOM 731 CD1 LEU A 46 -0.009 8.170 1.976 1.00 0.00 C ATOM 732 CD2 LEU A 46 -1.446 7.825 3.989 1.00 0.00 C ATOM 0 H LEU A 46 2.302 10.859 5.113 1.00 0.00 H new ATOM 0 HA LEU A 46 0.619 11.198 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.364 8.953 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.149 9.360 5.095 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.329 9.614 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.783 7.709 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.525 8.915 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.690 7.405 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.207 7.371 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.777 7.050 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.927 8.327 4.829 1.00 0.00 H new ATOM 744 N LYS A 47 -1.345 12.322 3.721 1.00 0.00 N ATOM 745 CA LYS A 47 -2.456 13.098 4.267 1.00 0.00 C ATOM 746 C LYS A 47 -3.640 12.180 4.525 1.00 0.00 C ATOM 747 O LYS A 47 -4.632 12.577 5.138 1.00 0.00 O ATOM 748 CB LYS A 47 -2.853 14.227 3.315 1.00 0.00 C ATOM 749 CG LYS A 47 -3.428 15.444 4.021 1.00 0.00 C ATOM 750 CD LYS A 47 -2.350 16.472 4.327 1.00 0.00 C ATOM 751 CE LYS A 47 -2.851 17.889 4.103 1.00 0.00 C ATOM 752 NZ LYS A 47 -1.796 18.767 3.527 1.00 0.00 N ATOM 0 H LYS A 47 -1.366 12.216 2.707 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.140 13.549 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.978 14.531 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.587 13.850 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.198 15.898 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.910 15.134 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.022 16.360 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.481 16.288 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.711 17.868 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.194 18.307 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.178 19.724 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.985 18.808 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.487 18.383 2.611 1.00 0.00 H new ATOM 766 N ASP A 48 -3.497 10.935 4.096 1.00 0.00 N ATOM 767 CA ASP A 48 -4.511 9.928 4.319 1.00 0.00 C ATOM 768 C ASP A 48 -4.146 9.144 5.572 1.00 0.00 C ATOM 769 O ASP A 48 -4.978 8.453 6.146 1.00 0.00 O ATOM 770 CB ASP A 48 -4.618 8.991 3.115 1.00 0.00 C ATOM 771 CG ASP A 48 -5.732 9.391 2.168 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.912 9.293 2.565 1.00 0.00 O ATOM 773 OD2 ASP A 48 -5.425 9.801 1.029 1.00 0.00 O ATOM 0 H ASP A 48 -2.679 10.601 3.587 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.481 10.408 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.671 8.987 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.790 7.973 3.465 1.00 0.00 H new ATOM 778 N LYS A 49 -2.885 9.283 5.999 1.00 0.00 N ATOM 779 CA LYS A 49 -2.396 8.613 7.192 1.00 0.00 C ATOM 780 C LYS A 49 -2.973 9.266 8.432 1.00 0.00 C ATOM 781 O LYS A 49 -2.988 8.670 9.504 1.00 0.00 O ATOM 782 CB LYS A 49 -0.870 8.663 7.257 1.00 0.00 C ATOM 783 CG LYS A 49 -0.310 8.132 8.563 1.00 0.00 C ATOM 784 CD LYS A 49 0.163 9.258 9.465 1.00 0.00 C ATOM 785 CE LYS A 49 1.381 9.954 8.881 1.00 0.00 C ATOM 786 NZ LYS A 49 1.956 10.954 9.823 1.00 0.00 N ATOM 0 H LYS A 49 -2.188 9.859 5.527 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.713 7.571 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.458 8.084 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.540 9.693 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.074 7.549 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.520 7.457 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.642 9.981 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.405 8.861 10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.139 9.211 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.104 10.450 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.785 11.406 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.241 11.678 10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.244 10.478 10.701 1.00 0.00 H new ATOM 800 N SER A 50 -3.493 10.475 8.277 1.00 0.00 N ATOM 801 CA SER A 50 -4.111 11.164 9.387 1.00 0.00 C ATOM 802 C SER A 50 -5.517 10.620 9.541 1.00 0.00 C ATOM 803 O SER A 50 -6.018 10.425 10.648 1.00 0.00 O ATOM 804 CB SER A 50 -4.142 12.674 9.145 1.00 0.00 C ATOM 805 OG SER A 50 -2.934 13.283 9.567 1.00 0.00 O ATOM 0 H SER A 50 -3.497 10.992 7.397 1.00 0.00 H new ATOM 0 HA SER A 50 -3.536 10.997 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.302 12.872 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.982 13.114 9.682 1.00 0.00 H new ATOM 0 HG SER A 50 -2.978 14.248 9.400 1.00 0.00 H new ATOM 811 N LYS A 51 -6.137 10.371 8.394 1.00 0.00 N ATOM 812 CA LYS A 51 -7.493 9.834 8.348 1.00 0.00 C ATOM 813 C LYS A 51 -7.484 8.304 8.341 1.00 0.00 C ATOM 814 O LYS A 51 -8.504 7.669 8.612 1.00 0.00 O ATOM 815 CB LYS A 51 -8.228 10.356 7.112 1.00 0.00 C ATOM 816 CG LYS A 51 -9.737 10.185 7.184 1.00 0.00 C ATOM 817 CD LYS A 51 -10.325 9.854 5.822 1.00 0.00 C ATOM 818 CE LYS A 51 -11.722 9.268 5.947 1.00 0.00 C ATOM 819 NZ LYS A 51 -11.979 8.221 4.920 1.00 0.00 N ATOM 0 H LYS A 51 -5.720 10.533 7.477 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.015 10.168 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.996 11.413 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.853 9.836 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.981 9.391 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.190 11.100 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.361 10.756 5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.677 9.145 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.848 8.840 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.460 10.064 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.942 7.847 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.884 8.635 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.291 7.449 5.032 1.00 0.00 H new ATOM 833 N TRP A 52 -6.330 7.714 8.025 1.00 0.00 N ATOM 834 CA TRP A 52 -6.199 6.260 7.980 1.00 0.00 C ATOM 835 C TRP A 52 -5.603 5.724 9.277 1.00 0.00 C ATOM 836 O TRP A 52 -5.959 4.636 9.733 1.00 0.00 O ATOM 837 CB TRP A 52 -5.330 5.836 6.797 1.00 0.00 C ATOM 838 CG TRP A 52 -6.041 5.915 5.481 1.00 0.00 C ATOM 839 CD1 TRP A 52 -6.898 6.896 5.068 1.00 0.00 C ATOM 840 CD2 TRP A 52 -5.960 4.974 4.407 1.00 0.00 C ATOM 841 NE1 TRP A 52 -7.351 6.621 3.799 1.00 0.00 N ATOM 842 CE2 TRP A 52 -6.789 5.447 3.372 1.00 0.00 C ATOM 843 CE3 TRP A 52 -5.264 3.777 4.220 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -6.941 4.764 2.168 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.416 3.100 3.025 1.00 0.00 C ATOM 846 CH2 TRP A 52 -6.248 3.595 2.012 1.00 0.00 C ATOM 0 H TRP A 52 -5.475 8.221 7.797 1.00 0.00 H new ATOM 0 HA TRP A 52 -7.197 5.840 7.857 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.443 6.469 6.761 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.986 4.814 6.956 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.178 7.760 5.652 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.000 7.197 3.263 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.620 3.388 4.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.582 5.143 1.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.884 2.173 2.869 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.344 3.042 1.089 1.00 0.00 H new ATOM 857 N GLU A 53 -4.708 6.497 9.884 1.00 0.00 N ATOM 858 CA GLU A 53 -4.096 6.088 11.142 1.00 0.00 C ATOM 859 C GLU A 53 -5.174 5.654 12.098 1.00 0.00 C ATOM 860 O GLU A 53 -4.973 4.764 12.914 1.00 0.00 O ATOM 861 CB GLU A 53 -3.311 7.224 11.793 1.00 0.00 C ATOM 862 CG GLU A 53 -1.853 7.250 11.411 1.00 0.00 C ATOM 863 CD GLU A 53 -0.936 6.857 12.554 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.411 6.182 13.492 1.00 0.00 O ATOM 865 OE2 GLU A 53 0.256 7.226 12.512 1.00 0.00 O ATOM 0 H GLU A 53 -4.393 7.400 9.530 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.407 5.272 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.767 8.174 11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.392 7.136 12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.690 6.573 10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.590 8.251 11.069 1.00 0.00 H new ATOM 872 N ASP A 54 -6.324 6.305 11.993 1.00 0.00 N ATOM 873 CA ASP A 54 -7.427 5.986 12.861 1.00 0.00 C ATOM 874 C ASP A 54 -7.843 4.559 12.673 1.00 0.00 C ATOM 875 O ASP A 54 -8.180 3.885 13.629 1.00 0.00 O ATOM 876 CB ASP A 54 -8.604 6.940 12.649 1.00 0.00 C ATOM 877 CG ASP A 54 -9.296 7.301 13.949 1.00 0.00 C ATOM 878 OD1 ASP A 54 -8.652 7.940 14.806 1.00 0.00 O ATOM 879 OD2 ASP A 54 -10.483 6.943 14.108 1.00 0.00 O ATOM 0 H ASP A 54 -6.508 7.049 11.319 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.094 6.113 13.891 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.248 7.850 12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.324 6.480 11.973 1.00 0.00 H new ATOM 884 N ALA A 55 -7.764 4.068 11.457 1.00 0.00 N ATOM 885 CA ALA A 55 -8.083 2.684 11.225 1.00 0.00 C ATOM 886 C ALA A 55 -7.181 1.848 12.130 1.00 0.00 C ATOM 887 O ALA A 55 -7.617 0.895 12.774 1.00 0.00 O ATOM 888 CB ALA A 55 -7.869 2.337 9.760 1.00 0.00 C ATOM 0 H ALA A 55 -7.487 4.597 10.630 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.129 2.480 11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.113 1.288 9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.513 2.961 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.827 2.513 9.493 1.00 0.00 H new ATOM 894 N ALA A 56 -5.902 2.216 12.120 1.00 0.00 N ATOM 895 CA ALA A 56 -4.858 1.521 12.881 1.00 0.00 C ATOM 896 C ALA A 56 -5.004 1.652 14.397 1.00 0.00 C ATOM 897 O ALA A 56 -4.983 0.650 15.112 1.00 0.00 O ATOM 898 CB ALA A 56 -3.498 2.045 12.463 1.00 0.00 C ATOM 0 H ALA A 56 -5.555 3.010 11.581 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.963 0.461 12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.721 1.530 13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.351 1.867 11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.443 3.115 12.663 1.00 0.00 H new ATOM 904 N ALA A 57 -5.143 2.880 14.893 1.00 0.00 N ATOM 905 CA ALA A 57 -5.282 3.103 16.333 1.00 0.00 C ATOM 906 C ALA A 57 -6.649 2.650 16.840 1.00 0.00 C ATOM 907 O ALA A 57 -6.804 2.272 18.002 1.00 0.00 O ATOM 908 CB ALA A 57 -5.055 4.571 16.662 1.00 0.00 C ATOM 0 H ALA A 57 -5.162 3.728 14.327 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.525 2.504 16.839 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.161 4.724 17.736 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.052 4.863 16.351 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.789 5.180 16.135 1.00 0.00 H new ATOM 914 N LYS A 58 -7.634 2.698 15.955 1.00 0.00 N ATOM 915 CA LYS A 58 -8.995 2.300 16.290 1.00 0.00 C ATOM 916 C LYS A 58 -9.128 0.788 16.238 1.00 0.00 C ATOM 917 O LYS A 58 -9.811 0.184 17.064 1.00 0.00 O ATOM 918 CB LYS A 58 -10.001 2.968 15.337 1.00 0.00 C ATOM 919 CG LYS A 58 -10.323 2.162 14.082 1.00 0.00 C ATOM 920 CD LYS A 58 -11.494 2.763 13.320 1.00 0.00 C ATOM 921 CE LYS A 58 -11.164 4.145 12.775 1.00 0.00 C ATOM 922 NZ LYS A 58 -10.938 4.125 11.302 1.00 0.00 N ATOM 0 H LYS A 58 -7.515 3.011 14.992 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.216 2.631 17.305 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.927 3.154 15.881 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.607 3.939 15.037 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.446 2.127 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.556 1.134 14.358 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.769 2.104 12.497 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.360 2.829 13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.979 4.830 13.007 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.273 4.528 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.091 4.683 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.802 3.144 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.763 4.534 10.819 1.00 0.00 H new ATOM 936 N ASP A 59 -8.461 0.182 15.264 1.00 0.00 N ATOM 937 CA ASP A 59 -8.495 -1.254 15.108 1.00 0.00 C ATOM 938 C ASP A 59 -7.796 -1.905 16.282 1.00 0.00 C ATOM 939 O ASP A 59 -8.175 -2.983 16.717 1.00 0.00 O ATOM 940 CB ASP A 59 -7.825 -1.664 13.796 1.00 0.00 C ATOM 941 CG ASP A 59 -8.762 -1.553 12.609 1.00 0.00 C ATOM 942 OD1 ASP A 59 -9.989 -1.464 12.826 1.00 0.00 O ATOM 943 OD2 ASP A 59 -8.268 -1.556 11.461 1.00 0.00 O ATOM 0 H ASP A 59 -7.891 0.669 14.573 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.533 -1.586 15.079 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.951 -1.035 13.626 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.468 -2.691 13.879 1.00 0.00 H new ATOM 948 N LYS A 60 -6.783 -1.230 16.810 1.00 0.00 N ATOM 949 CA LYS A 60 -6.055 -1.747 17.957 1.00 0.00 C ATOM 950 C LYS A 60 -7.007 -1.908 19.133 1.00 0.00 C ATOM 951 O LYS A 60 -6.801 -2.733 20.023 1.00 0.00 O ATOM 952 CB LYS A 60 -4.887 -0.813 18.323 1.00 0.00 C ATOM 953 CG LYS A 60 -5.221 0.250 19.371 1.00 0.00 C ATOM 954 CD LYS A 60 -4.343 0.113 20.604 1.00 0.00 C ATOM 955 CE LYS A 60 -2.947 0.663 20.358 1.00 0.00 C ATOM 956 NZ LYS A 60 -2.175 -0.182 19.405 1.00 0.00 N ATOM 0 H LYS A 60 -6.450 -0.330 16.464 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.636 -2.721 17.705 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.058 -1.418 18.690 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.541 -0.315 17.417 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.090 1.242 18.939 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.269 0.163 19.658 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.802 0.642 21.439 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.276 -0.937 20.890 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.021 1.677 19.966 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.410 0.726 21.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.158 -0.003 19.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.375 -1.186 19.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.452 0.052 18.430 1.00 0.00 H new ATOM 970 N GLN A 61 -8.047 -1.087 19.114 1.00 0.00 N ATOM 971 CA GLN A 61 -9.051 -1.078 20.149 1.00 0.00 C ATOM 972 C GLN A 61 -10.190 -2.042 19.817 1.00 0.00 C ATOM 973 O GLN A 61 -10.626 -2.821 20.658 1.00 0.00 O ATOM 974 CB GLN A 61 -9.575 0.353 20.333 1.00 0.00 C ATOM 975 CG GLN A 61 -11.091 0.471 20.370 1.00 0.00 C ATOM 976 CD GLN A 61 -11.611 0.960 21.710 1.00 0.00 C ATOM 977 OE1 GLN A 61 -12.578 1.719 21.775 1.00 0.00 O ATOM 978 NE2 GLN A 61 -10.970 0.523 22.790 1.00 0.00 N ATOM 0 H GLN A 61 -8.212 -0.407 18.372 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.604 -1.417 21.083 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.169 0.758 21.260 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.195 0.973 19.521 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.417 1.156 19.587 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.532 -0.501 20.147 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.173 -0.105 22.690 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.276 0.816 23.718 1.00 0.00 H new ATOM 987 N ARG A 62 -10.685 -1.979 18.594 1.00 0.00 N ATOM 988 CA ARG A 62 -11.777 -2.850 18.197 1.00 0.00 C ATOM 989 C ARG A 62 -11.328 -4.300 18.129 1.00 0.00 C ATOM 990 O ARG A 62 -12.149 -5.213 18.182 1.00 0.00 O ATOM 991 CB ARG A 62 -12.338 -2.447 16.838 1.00 0.00 C ATOM 992 CG ARG A 62 -12.865 -3.636 16.054 1.00 0.00 C ATOM 993 CD ARG A 62 -13.350 -3.230 14.675 1.00 0.00 C ATOM 994 NE ARG A 62 -12.259 -3.212 13.708 1.00 0.00 N ATOM 995 CZ ARG A 62 -12.437 -3.259 12.389 1.00 0.00 C ATOM 996 NH1 ARG A 62 -13.661 -3.310 11.879 1.00 0.00 N ATOM 997 NH2 ARG A 62 -11.388 -3.255 11.578 1.00 0.00 N ATOM 0 H ARG A 62 -10.354 -1.344 17.868 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.554 -2.747 18.955 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.141 -1.724 16.979 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.559 -1.950 16.259 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.079 -4.385 15.957 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.683 -4.101 16.605 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.122 -3.923 14.341 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.809 -2.243 14.726 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.304 -3.160 14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.472 -3.313 12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.791 -3.346 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.445 -3.216 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.524 -3.291 10.568 1.00 0.00 H new ATOM 1011 N TYR A 63 -10.032 -4.506 17.988 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.500 -5.853 17.886 1.00 0.00 C ATOM 1013 C TYR A 63 -9.163 -6.374 19.258 1.00 0.00 C ATOM 1014 O TYR A 63 -9.632 -7.431 19.662 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.281 -5.902 16.963 1.00 0.00 C ATOM 1016 CG TYR A 63 -8.613 -6.411 15.577 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -9.605 -5.805 14.818 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -7.948 -7.501 15.033 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -9.922 -6.271 13.556 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -8.258 -7.974 13.774 1.00 0.00 C ATOM 1021 CZ TYR A 63 -9.246 -7.355 13.038 1.00 0.00 C ATOM 1022 OH TYR A 63 -9.559 -7.823 11.783 1.00 0.00 O ATOM 0 H TYR A 63 -9.333 -3.765 17.942 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.263 -6.494 17.445 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.850 -4.904 16.885 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.520 -6.543 17.408 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.138 -4.956 15.220 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.173 -7.988 15.606 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.696 -5.788 12.978 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.730 -8.824 13.368 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.989 -8.591 11.569 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.389 -5.616 20.008 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.066 -6.036 21.339 1.00 0.00 C ATOM 1034 C HIS A 64 -9.369 -6.175 22.133 1.00 0.00 C ATOM 1035 O HIS A 64 -9.407 -6.808 23.169 1.00 0.00 O ATOM 1036 CB HIS A 64 -7.094 -5.042 21.985 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.764 -3.878 22.610 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.917 -3.355 22.111 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -7.438 -3.130 23.682 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -9.285 -2.329 22.838 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -8.406 -2.166 23.808 1.00 0.00 N ATOM 0 H HIS A 64 -7.984 -4.726 19.719 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.564 -7.003 21.327 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.506 -5.561 22.742 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.396 -4.685 21.228 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.418 -3.708 21.296 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.578 -3.264 24.321 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.161 -1.719 22.671 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.463 -5.607 21.616 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.743 -5.701 22.289 1.00 0.00 C ATOM 1052 C ASP A 65 -12.421 -7.031 22.013 1.00 0.00 C ATOM 1053 O ASP A 65 -13.333 -7.432 22.738 1.00 0.00 O ATOM 1054 CB ASP A 65 -12.638 -4.568 21.822 1.00 0.00 C ATOM 1055 CG ASP A 65 -13.961 -4.525 22.563 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -13.963 -4.148 23.753 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -14.994 -4.868 21.950 1.00 0.00 O ATOM 0 H ASP A 65 -10.479 -5.084 20.741 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.571 -5.628 23.363 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.118 -3.620 21.959 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.827 -4.676 20.754 1.00 0.00 H new ATOM 1062 N GLU A 66 -11.979 -7.724 20.967 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.561 -9.005 20.626 1.00 0.00 C ATOM 1064 C GLU A 66 -11.453 -10.018 20.547 1.00 0.00 C ATOM 1065 O GLU A 66 -11.522 -11.088 21.146 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.338 -8.945 19.304 1.00 0.00 C ATOM 1067 CG GLU A 66 -12.729 -8.025 18.255 1.00 0.00 C ATOM 1068 CD GLU A 66 -13.780 -7.264 17.472 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.520 -6.470 18.089 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -13.863 -7.463 16.241 1.00 0.00 O ATOM 0 H GLU A 66 -11.227 -7.418 20.350 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.279 -9.289 21.396 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.406 -9.951 18.891 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.356 -8.616 19.510 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.059 -7.316 18.742 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.123 -8.614 17.567 1.00 0.00 H new ATOM 1077 N MET A 67 -10.409 -9.655 19.822 1.00 0.00 N ATOM 1078 CA MET A 67 -9.246 -10.495 19.670 1.00 0.00 C ATOM 1079 C MET A 67 -8.707 -10.899 21.037 1.00 0.00 C ATOM 1080 O MET A 67 -8.548 -12.086 21.323 1.00 0.00 O ATOM 1081 CB MET A 67 -8.179 -9.728 18.894 1.00 0.00 C ATOM 1082 CG MET A 67 -8.697 -8.974 17.663 1.00 0.00 C ATOM 1083 SD MET A 67 -9.264 -10.026 16.308 1.00 0.00 S ATOM 1084 CE MET A 67 -10.712 -10.801 17.022 1.00 0.00 C ATOM 0 H MET A 67 -10.349 -8.767 19.324 1.00 0.00 H new ATOM 0 HA MET A 67 -9.518 -11.399 19.125 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.703 -9.014 19.566 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.407 -10.429 18.575 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.519 -8.328 17.970 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.904 -8.325 17.292 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.506 -10.845 16.277 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.462 -11.811 17.346 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.051 -10.219 17.879 1.00 0.00 H new ATOM 1094 N ARG A 68 -8.442 -9.904 21.896 1.00 0.00 N ATOM 1095 CA ARG A 68 -7.942 -10.196 23.242 1.00 0.00 C ATOM 1096 C ARG A 68 -9.055 -10.851 24.082 1.00 0.00 C ATOM 1097 O ARG A 68 -8.863 -11.203 25.246 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.382 -8.925 23.906 1.00 0.00 C ATOM 1099 CG ARG A 68 -8.280 -8.284 24.954 1.00 0.00 C ATOM 1100 CD ARG A 68 -8.114 -6.770 24.965 1.00 0.00 C ATOM 1101 NE ARG A 68 -7.447 -6.295 26.173 1.00 0.00 N ATOM 1102 CZ ARG A 68 -6.131 -6.351 26.368 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -5.336 -6.857 25.434 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -5.609 -5.898 27.499 1.00 0.00 N ATOM 0 H ARG A 68 -8.563 -8.913 21.688 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.116 -10.904 23.174 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.427 -9.170 24.371 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.178 -8.189 23.128 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.320 -8.538 24.750 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.041 -8.687 25.938 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.540 -6.463 24.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.093 -6.299 24.884 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.024 -5.896 26.913 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.732 -7.206 24.561 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.329 -6.897 25.589 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.215 -5.507 28.220 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.601 -5.941 27.649 1.00 0.00 H new ATOM 1118 N ASN A 69 -10.208 -11.022 23.437 1.00 0.00 N ATOM 1119 CA ASN A 69 -11.368 -11.646 24.043 1.00 0.00 C ATOM 1120 C ASN A 69 -11.460 -13.084 23.562 1.00 0.00 C ATOM 1121 O ASN A 69 -11.103 -14.016 24.283 1.00 0.00 O ATOM 1122 CB ASN A 69 -12.643 -10.876 23.687 1.00 0.00 C ATOM 1123 CG ASN A 69 -13.339 -10.314 24.910 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -14.534 -10.526 25.112 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -12.591 -9.589 25.736 1.00 0.00 N ATOM 0 H ASN A 69 -10.358 -10.727 22.472 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.264 -11.631 25.128 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.394 -10.061 23.007 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.327 -11.537 23.155 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.005 -9.184 26.576 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.603 -9.438 25.530 1.00 0.00 H new ATOM 1132 N TYR A 70 -11.941 -13.256 22.338 1.00 0.00 N ATOM 1133 CA TYR A 70 -12.081 -14.579 21.755 1.00 0.00 C ATOM 1134 C TYR A 70 -10.766 -15.355 21.836 1.00 0.00 C ATOM 1135 O TYR A 70 -9.731 -14.896 21.352 1.00 0.00 O ATOM 1136 CB TYR A 70 -12.558 -14.464 20.300 1.00 0.00 C ATOM 1137 CG TYR A 70 -12.033 -15.547 19.381 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -10.752 -15.468 18.850 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -12.816 -16.645 19.047 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -10.266 -16.453 18.012 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -12.337 -17.635 18.210 1.00 0.00 C ATOM 1142 CZ TYR A 70 -11.062 -17.534 17.695 1.00 0.00 C ATOM 1143 OH TYR A 70 -10.581 -18.517 16.861 1.00 0.00 O ATOM 0 H TYR A 70 -12.241 -12.493 21.731 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.828 -15.132 22.325 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -13.648 -14.489 20.285 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.256 -13.493 19.907 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -10.126 -14.623 19.096 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.815 -16.726 19.448 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.268 -16.377 17.607 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.958 -18.483 17.961 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.266 -19.207 16.740 1.00 0.00 H new ATOM 1153 N LYS A 71 -10.818 -16.532 22.453 1.00 0.00 N ATOM 1154 CA LYS A 71 -9.635 -17.372 22.598 1.00 0.00 C ATOM 1155 C LYS A 71 -10.024 -18.792 23.013 1.00 0.00 C ATOM 1156 O LYS A 71 -9.515 -19.324 23.999 1.00 0.00 O ATOM 1157 CB LYS A 71 -8.679 -16.763 23.629 1.00 0.00 C ATOM 1158 CG LYS A 71 -7.227 -16.748 23.176 1.00 0.00 C ATOM 1159 CD LYS A 71 -6.570 -18.107 23.363 1.00 0.00 C ATOM 1160 CE LYS A 71 -6.448 -18.853 22.044 1.00 0.00 C ATOM 1161 NZ LYS A 71 -6.147 -20.297 22.249 1.00 0.00 N ATOM 0 H LYS A 71 -11.667 -16.925 22.860 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.130 -17.424 21.633 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.994 -15.742 23.846 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.755 -17.325 24.560 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.175 -16.459 22.126 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.676 -15.996 23.741 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.581 -17.977 23.801 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.154 -18.701 24.066 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.377 -18.752 21.482 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.660 -18.400 21.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.482 -20.620 21.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.722 -20.433 23.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.027 -20.848 22.184 1.00 0.00 H new ATOM 1175 N PRO A 72 -10.939 -19.428 22.258 1.00 0.00 N ATOM 1176 CA PRO A 72 -11.394 -20.790 22.551 1.00 0.00 C ATOM 1177 C PRO A 72 -10.324 -21.836 22.259 1.00 0.00 C ATOM 1178 O PRO A 72 -9.162 -21.502 22.029 1.00 0.00 O ATOM 1179 CB PRO A 72 -12.590 -20.973 21.614 1.00 0.00 C ATOM 1180 CG PRO A 72 -12.323 -20.049 20.476 1.00 0.00 C ATOM 1181 CD PRO A 72 -11.598 -18.868 21.062 1.00 0.00 C ATOM 0 HA PRO A 72 -11.636 -20.920 23.606 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.673 -22.006 21.275 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.526 -20.725 22.114 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.719 -20.537 19.711 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.253 -19.739 19.999 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.873 -18.454 20.361 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.286 -18.063 21.322 1.00 0.00 H new ATOM 1189 N GLU A 73 -10.724 -23.103 22.271 1.00 0.00 N ATOM 1190 CA GLU A 73 -9.799 -24.200 22.008 1.00 0.00 C ATOM 1191 C GLU A 73 -10.392 -25.184 21.005 1.00 0.00 C ATOM 1192 O GLU A 73 -10.121 -26.383 21.063 1.00 0.00 O ATOM 1193 CB GLU A 73 -9.453 -24.926 23.310 1.00 0.00 C ATOM 1194 CG GLU A 73 -10.648 -25.597 23.968 1.00 0.00 C ATOM 1195 CD GLU A 73 -10.671 -25.401 25.471 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -10.671 -24.235 25.918 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -10.691 -26.414 26.201 1.00 0.00 O ATOM 0 H GLU A 73 -11.683 -23.396 22.460 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.888 -23.780 21.581 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.691 -25.678 23.105 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.017 -24.213 24.009 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.567 -25.197 23.539 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.630 -26.664 23.744 1.00 0.00 H new ATOM 1204 N ALA A 74 -11.202 -24.668 20.086 1.00 0.00 N ATOM 1205 CA ALA A 74 -11.834 -25.501 19.071 1.00 0.00 C ATOM 1206 C ALA A 74 -11.912 -24.773 17.733 1.00 0.00 C ATOM 1207 O ALA A 74 -12.030 -25.456 16.694 1.00 0.00 O ATOM 1208 CB ALA A 74 -13.222 -25.925 19.525 1.00 0.00 C ATOM 1209 OXT ALA A 74 -11.855 -23.525 17.735 1.00 0.00 O ATOM 0 H ALA A 74 -11.436 -23.677 20.024 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.221 -26.392 18.935 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.682 -26.547 18.757 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.144 -26.492 20.452 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.836 -25.040 19.692 1.00 0.00 H new TER 1215 ALA A 74