USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=20 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 61 GLN : amide:sc= -1.89 K(o=-16,f=-12) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -14! C(o=-16!,f=-18!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 THR OG1 : rot 100:sc= -3.8 USER MOD Set 3.1: A 27 ASN : amide:sc= -3.65 K(o=-3.7,f=-7.3!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 1:sc= 0.958 USER MOD Single : A 3 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.083) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -135:sc= -0.0183 (180deg=-0.444) USER MOD Single : A 9 THR OG1 : rot -139:sc= -2.89! USER MOD Single : A 10 THR OG1 : rot -71:sc= -0.919 USER MOD Single : A 13 MET CE :methyl 169:sc= -5.44! (180deg=-5.69!) USER MOD Single : A 17 ASN : amide:sc= -0.566 X(o=-0.57,f=-1) USER MOD Single : A 19 THR OG1 : rot 160:sc= 0.154 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -0.396 (180deg=-1.85!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 179:sc= -3.58! (180deg=-3.74!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.117 (180deg=-0.417) 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+ -126:sc= 0.234 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.157 (180deg=-0.761) USER MOD Single : A 60 LYS NZ :NH3+ 143:sc= -0.984 (180deg=-2.95!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 162:sc= 0 (180deg=-0.0458) USER MOD Single : A 69 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.033) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= -0.415 (180deg=-0.601) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -17.151 -11.555 15.691 1.00 0.00 N ATOM 2 CA SER A 2 -16.196 -12.656 15.744 1.00 0.00 C ATOM 3 C SER A 2 -16.010 -13.282 14.366 1.00 0.00 C ATOM 4 O SER A 2 -16.905 -13.951 13.851 1.00 0.00 O ATOM 5 CB SER A 2 -16.665 -13.719 16.740 1.00 0.00 C ATOM 6 OG SER A 2 -17.657 -14.553 16.166 1.00 0.00 O ATOM 0 HA SER A 2 -15.237 -12.256 16.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.816 -14.324 17.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.063 -13.236 17.632 1.00 0.00 H new ATOM 0 HG SER A 2 -17.827 -14.272 15.243 1.00 0.00 H new ATOM 12 N HIS A 3 -14.841 -13.059 13.774 1.00 0.00 N ATOM 13 CA HIS A 3 -14.538 -13.602 12.454 1.00 0.00 C ATOM 14 C HIS A 3 -13.048 -13.894 12.314 1.00 0.00 C ATOM 15 O HIS A 3 -12.637 -15.051 12.227 1.00 0.00 O ATOM 16 CB HIS A 3 -14.984 -12.627 11.364 1.00 0.00 C ATOM 17 CG HIS A 3 -15.605 -13.299 10.178 1.00 0.00 C ATOM 18 ND1 HIS A 3 -16.166 -12.603 9.127 1.00 0.00 N ATOM 19 CD2 HIS A 3 -15.752 -14.611 9.879 1.00 0.00 C ATOM 20 CE1 HIS A 3 -16.631 -13.459 8.234 1.00 0.00 C ATOM 21 NE2 HIS A 3 -16.392 -14.683 8.666 1.00 0.00 N ATOM 0 H HIS A 3 -14.089 -12.507 14.186 1.00 0.00 H new ATOM 0 HA HIS A 3 -15.085 -14.538 12.340 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -15.700 -11.923 11.788 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -14.123 -12.046 11.033 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -15.427 -15.446 10.482 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.123 -13.201 7.308 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.642 -15.543 8.178 1.00 0.00 H new ATOM 30 N MET A 4 -12.242 -12.837 12.295 1.00 0.00 N ATOM 31 CA MET A 4 -10.796 -12.980 12.165 1.00 0.00 C ATOM 32 C MET A 4 -10.082 -11.696 12.578 1.00 0.00 C ATOM 33 O MET A 4 -9.660 -10.910 11.730 1.00 0.00 O ATOM 34 CB MET A 4 -10.426 -13.345 10.726 1.00 0.00 C ATOM 35 CG MET A 4 -8.936 -13.559 10.516 1.00 0.00 C ATOM 36 SD MET A 4 -8.393 -13.091 8.862 1.00 0.00 S ATOM 37 CE MET A 4 -6.852 -13.995 8.743 1.00 0.00 C ATOM 0 H MET A 4 -12.565 -11.872 12.368 1.00 0.00 H new ATOM 0 HA MET A 4 -10.474 -13.782 12.829 1.00 0.00 H new ATOM 0 HB2 MET A 4 -10.958 -14.253 10.442 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.768 -12.553 10.060 1.00 0.00 H new ATOM 0 HG2 MET A 4 -8.382 -12.978 11.254 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.696 -14.608 10.690 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.394 -13.807 7.772 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.176 -13.667 9.533 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.047 -15.062 8.852 1.00 0.00 H new ATOM 47 N PRO A 5 -9.935 -11.467 13.894 1.00 0.00 N ATOM 48 CA PRO A 5 -9.267 -10.275 14.421 1.00 0.00 C ATOM 49 C PRO A 5 -7.750 -10.400 14.381 1.00 0.00 C ATOM 50 O PRO A 5 -7.132 -10.855 15.345 1.00 0.00 O ATOM 51 CB PRO A 5 -9.764 -10.226 15.866 1.00 0.00 C ATOM 52 CG PRO A 5 -9.931 -11.662 16.231 1.00 0.00 C ATOM 53 CD PRO A 5 -10.406 -12.353 14.978 1.00 0.00 C ATOM 0 HA PRO A 5 -9.490 -9.379 13.841 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.048 -9.727 16.519 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.704 -9.680 15.948 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.991 -12.088 16.580 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.653 -11.778 17.039 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.986 -13.355 14.888 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.491 -12.460 14.966 1.00 0.00 H new ATOM 61 N LYS A 6 -7.149 -9.989 13.269 1.00 0.00 N ATOM 62 CA LYS A 6 -5.698 -10.053 13.116 1.00 0.00 C ATOM 63 C LYS A 6 -5.020 -8.983 13.970 1.00 0.00 C ATOM 64 O LYS A 6 -4.137 -8.262 13.503 1.00 0.00 O ATOM 65 CB LYS A 6 -5.310 -9.875 11.646 1.00 0.00 C ATOM 66 CG LYS A 6 -3.931 -10.422 11.311 1.00 0.00 C ATOM 67 CD LYS A 6 -3.492 -10.006 9.916 1.00 0.00 C ATOM 68 CE LYS A 6 -4.421 -10.562 8.850 1.00 0.00 C ATOM 69 NZ LYS A 6 -5.477 -9.583 8.467 1.00 0.00 N ATOM 0 H LYS A 6 -7.642 -9.609 12.461 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.361 -11.033 13.454 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.051 -10.372 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.342 -8.815 11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.208 -10.063 12.044 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.943 -11.510 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.470 -8.918 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.476 -10.357 9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.840 -10.833 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.889 -11.476 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.397 -10.066 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.521 -8.824 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.251 -9.175 7.537 1.00 0.00 H new ATOM 83 N ARG A 7 -5.450 -8.885 15.226 1.00 0.00 N ATOM 84 CA ARG A 7 -4.911 -7.909 16.166 1.00 0.00 C ATOM 85 C ARG A 7 -4.797 -6.519 15.548 1.00 0.00 C ATOM 86 O ARG A 7 -4.019 -5.689 16.017 1.00 0.00 O ATOM 87 CB ARG A 7 -3.552 -8.361 16.697 1.00 0.00 C ATOM 88 CG ARG A 7 -3.370 -8.088 18.181 1.00 0.00 C ATOM 89 CD ARG A 7 -3.156 -6.607 18.452 1.00 0.00 C ATOM 90 NE ARG A 7 -2.051 -6.061 17.668 1.00 0.00 N ATOM 91 CZ ARG A 7 -0.767 -6.270 17.951 1.00 0.00 C ATOM 92 NH1 ARG A 7 -0.423 -7.011 18.997 1.00 0.00 N ATOM 93 NH2 ARG A 7 0.176 -5.737 17.185 1.00 0.00 N ATOM 0 H ARG A 7 -6.180 -9.479 15.619 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.614 -7.845 16.996 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.434 -9.429 16.513 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.764 -7.853 16.141 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.247 -8.436 18.726 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.517 -8.654 18.555 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.070 -6.060 18.220 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.956 -6.458 19.513 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.276 -5.486 16.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.144 -7.424 19.589 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.562 -7.168 19.209 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.083 -5.167 16.380 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.160 -5.897 17.402 1.00 0.00 H new ATOM 107 N ALA A 8 -5.582 -6.255 14.506 1.00 0.00 N ATOM 108 CA ALA A 8 -5.571 -4.956 13.848 1.00 0.00 C ATOM 109 C ALA A 8 -4.272 -4.702 13.086 1.00 0.00 C ATOM 110 O ALA A 8 -3.364 -5.533 13.082 1.00 0.00 O ATOM 111 CB ALA A 8 -5.838 -3.860 14.860 1.00 0.00 C ATOM 0 H ALA A 8 -6.234 -6.926 14.100 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.369 -4.953 13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.828 -2.892 14.359 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.813 -4.020 15.321 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.066 -3.879 15.629 1.00 0.00 H new ATOM 117 N THR A 9 -4.222 -3.559 12.405 1.00 0.00 N ATOM 118 CA THR A 9 -3.070 -3.186 11.585 1.00 0.00 C ATOM 119 C THR A 9 -2.466 -1.856 12.006 1.00 0.00 C ATOM 120 O THR A 9 -3.188 -0.938 12.355 1.00 0.00 O ATOM 121 CB THR A 9 -3.532 -3.043 10.142 1.00 0.00 C ATOM 122 OG1 THR A 9 -4.863 -2.563 10.099 1.00 0.00 O ATOM 123 CG2 THR A 9 -3.496 -4.324 9.371 1.00 0.00 C ATOM 0 H THR A 9 -4.973 -2.869 12.405 1.00 0.00 H new ATOM 0 HA THR A 9 -2.315 -3.963 11.705 1.00 0.00 H new ATOM 0 HB THR A 9 -2.832 -2.345 9.683 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.360 -3.038 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.839 -4.145 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.476 -4.707 9.349 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.148 -5.055 9.850 1.00 0.00 H new ATOM 131 N THR A 10 -1.144 -1.745 11.931 1.00 0.00 N ATOM 132 CA THR A 10 -0.470 -0.505 12.261 1.00 0.00 C ATOM 133 C THR A 10 -0.841 0.534 11.227 1.00 0.00 C ATOM 134 O THR A 10 -1.185 0.190 10.096 1.00 0.00 O ATOM 135 CB THR A 10 1.049 -0.703 12.296 1.00 0.00 C ATOM 136 OG1 THR A 10 1.393 -2.032 11.944 1.00 0.00 O ATOM 137 CG2 THR A 10 1.658 -0.418 13.653 1.00 0.00 C ATOM 0 H THR A 10 -0.523 -2.501 11.644 1.00 0.00 H new ATOM 0 HA THR A 10 -0.783 -0.173 13.251 1.00 0.00 H new ATOM 0 HB THR A 10 1.448 0.012 11.576 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.133 -2.640 12.667 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.735 -0.577 13.609 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.455 0.616 13.933 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.222 -1.087 14.395 1.00 0.00 H new ATOM 145 N ALA A 11 -0.772 1.800 11.606 1.00 0.00 N ATOM 146 CA ALA A 11 -1.102 2.874 10.686 1.00 0.00 C ATOM 147 C ALA A 11 -0.477 2.597 9.328 1.00 0.00 C ATOM 148 O ALA A 11 -1.073 2.848 8.281 1.00 0.00 O ATOM 149 CB ALA A 11 -0.607 4.203 11.237 1.00 0.00 C ATOM 0 H ALA A 11 -0.492 2.107 12.538 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.185 2.928 10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.859 5.002 10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.081 4.397 12.199 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.474 4.163 11.367 1.00 0.00 H new ATOM 155 N PHE A 12 0.746 2.093 9.375 1.00 0.00 N ATOM 156 CA PHE A 12 1.523 1.787 8.178 1.00 0.00 C ATOM 157 C PHE A 12 1.128 0.470 7.522 1.00 0.00 C ATOM 158 O PHE A 12 1.267 0.303 6.311 1.00 0.00 O ATOM 159 CB PHE A 12 2.992 1.697 8.572 1.00 0.00 C ATOM 160 CG PHE A 12 3.940 1.742 7.410 1.00 0.00 C ATOM 161 CD1 PHE A 12 4.012 0.683 6.520 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.765 2.837 7.210 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.888 0.713 5.453 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.642 2.873 6.145 1.00 0.00 C ATOM 165 CZ PHE A 12 5.704 1.811 5.265 1.00 0.00 C ATOM 0 H PHE A 12 1.232 1.883 10.247 1.00 0.00 H new ATOM 0 HA PHE A 12 1.331 2.581 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.226 2.517 9.251 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.153 0.771 9.124 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.375 -0.177 6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.721 3.671 7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.935 -0.120 4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.280 3.732 6.000 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.390 1.839 4.431 1.00 0.00 H new ATOM 175 N MET A 13 0.694 -0.478 8.327 1.00 0.00 N ATOM 176 CA MET A 13 0.347 -1.798 7.825 1.00 0.00 C ATOM 177 C MET A 13 -1.127 -1.925 7.466 1.00 0.00 C ATOM 178 O MET A 13 -1.525 -2.917 6.855 1.00 0.00 O ATOM 179 CB MET A 13 0.781 -2.863 8.844 1.00 0.00 C ATOM 180 CG MET A 13 -0.265 -3.918 9.193 1.00 0.00 C ATOM 181 SD MET A 13 -0.010 -5.474 8.313 1.00 0.00 S ATOM 182 CE MET A 13 0.353 -4.888 6.660 1.00 0.00 C ATOM 0 H MET A 13 0.572 -0.362 9.333 1.00 0.00 H new ATOM 0 HA MET A 13 0.887 -1.956 6.892 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.665 -3.370 8.456 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.080 -2.358 9.763 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.242 -4.105 10.267 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.257 -3.531 8.958 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.722 -5.715 6.054 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.554 -4.484 6.210 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.112 -4.107 6.709 1.00 0.00 H new ATOM 192 N LEU A 14 -1.934 -0.909 7.753 1.00 0.00 N ATOM 193 CA LEU A 14 -3.328 -0.946 7.346 1.00 0.00 C ATOM 194 C LEU A 14 -3.482 -0.158 6.057 1.00 0.00 C ATOM 195 O LEU A 14 -4.324 -0.466 5.213 1.00 0.00 O ATOM 196 CB LEU A 14 -4.263 -0.490 8.490 1.00 0.00 C ATOM 197 CG LEU A 14 -4.893 0.923 8.491 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.501 1.649 9.750 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.531 1.788 7.307 1.00 0.00 C ATOM 0 H LEU A 14 -1.652 -0.067 8.256 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.637 -1.970 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.084 -1.205 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.702 -0.590 9.419 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.968 0.755 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.945 2.644 9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.858 1.093 10.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.416 1.736 9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.022 2.757 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.451 1.930 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.859 1.303 6.388 1.00 0.00 H new ATOM 211 N TRP A 15 -2.640 0.873 5.920 1.00 0.00 N ATOM 212 CA TRP A 15 -2.648 1.728 4.751 1.00 0.00 C ATOM 213 C TRP A 15 -1.849 1.065 3.667 1.00 0.00 C ATOM 214 O TRP A 15 -2.263 1.023 2.514 1.00 0.00 O ATOM 215 CB TRP A 15 -2.049 3.105 5.064 1.00 0.00 C ATOM 216 CG TRP A 15 -1.250 3.674 3.924 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.678 4.575 2.992 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.111 3.367 3.590 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.668 4.846 2.099 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.441 4.116 2.443 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.087 2.534 4.147 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.707 4.045 1.852 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.331 2.478 3.547 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.616 3.224 2.424 1.00 0.00 C ATOM 0 H TRP A 15 -1.942 1.128 6.618 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.679 1.877 4.430 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.854 3.796 5.316 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.410 3.025 5.943 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.665 5.011 2.961 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.733 5.487 1.308 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.873 1.947 5.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.949 4.624 0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.093 1.838 3.966 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.600 3.150 1.985 1.00 0.00 H new ATOM 235 N LEU A 16 -0.715 0.501 4.058 1.00 0.00 N ATOM 236 CA LEU A 16 0.104 -0.203 3.102 1.00 0.00 C ATOM 237 C LEU A 16 -0.691 -1.358 2.567 1.00 0.00 C ATOM 238 O LEU A 16 -0.417 -1.855 1.507 1.00 0.00 O ATOM 239 CB LEU A 16 1.396 -0.740 3.692 1.00 0.00 C ATOM 240 CG LEU A 16 2.188 -1.592 2.699 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.751 -0.712 1.603 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.297 -2.359 3.401 1.00 0.00 C ATOM 0 H LEU A 16 -0.353 0.519 5.011 1.00 0.00 H new ATOM 0 HA LEU A 16 0.380 0.508 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.014 0.095 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.167 -1.337 4.575 1.00 0.00 H new ATOM 0 HG LEU A 16 1.515 -2.323 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.314 -1.324 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.934 -0.215 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.411 0.037 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.844 -2.956 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.979 -1.656 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.864 -3.015 4.156 1.00 0.00 H new ATOM 254 N ASN A 17 -1.686 -1.769 3.314 1.00 0.00 N ATOM 255 CA ASN A 17 -2.544 -2.856 2.921 1.00 0.00 C ATOM 256 C ASN A 17 -3.413 -2.431 1.738 1.00 0.00 C ATOM 257 O ASN A 17 -3.415 -3.041 0.639 1.00 0.00 O ATOM 258 CB ASN A 17 -3.438 -3.180 4.134 1.00 0.00 C ATOM 259 CG ASN A 17 -3.431 -4.642 4.515 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.183 -5.517 3.685 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.708 -4.909 5.785 1.00 0.00 N ATOM 0 H ASN A 17 -1.923 -1.356 4.216 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.960 -3.725 2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.107 -2.589 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.461 -2.875 3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.722 -5.875 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.907 -4.148 6.434 1.00 0.00 H new ATOM 268 N ASP A 18 -4.059 -1.298 1.960 1.00 0.00 N ATOM 269 CA ASP A 18 -4.908 -0.685 0.968 1.00 0.00 C ATOM 270 C ASP A 18 -4.084 -0.041 -0.119 1.00 0.00 C ATOM 271 O ASP A 18 -4.548 0.138 -1.245 1.00 0.00 O ATOM 272 CB ASP A 18 -5.827 0.351 1.615 1.00 0.00 C ATOM 273 CG ASP A 18 -7.153 0.479 0.892 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.935 -0.496 0.907 1.00 0.00 O ATOM 275 OD2 ASP A 18 -7.412 1.554 0.311 1.00 0.00 O ATOM 0 H ASP A 18 -4.005 -0.781 2.838 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.521 -1.466 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.008 0.074 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.327 1.320 1.626 1.00 0.00 H new ATOM 280 N THR A 19 -2.855 0.307 0.218 1.00 0.00 N ATOM 281 CA THR A 19 -1.957 0.926 -0.717 1.00 0.00 C ATOM 282 C THR A 19 -0.940 -0.075 -1.222 1.00 0.00 C ATOM 283 O THR A 19 -0.398 0.105 -2.292 1.00 0.00 O ATOM 284 CB THR A 19 -1.272 2.102 -0.046 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.768 3.331 -0.544 1.00 0.00 O ATOM 286 CG2 THR A 19 0.233 2.120 -0.189 1.00 0.00 C ATOM 0 H THR A 19 -2.460 0.165 1.148 1.00 0.00 H new ATOM 0 HA THR A 19 -2.521 1.285 -1.577 1.00 0.00 H new ATOM 0 HB THR A 19 -1.503 1.977 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.570 4.047 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.637 2.995 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.651 1.216 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.498 2.162 -1.246 1.00 0.00 H new ATOM 294 N ARG A 20 -0.699 -1.146 -0.461 1.00 0.00 N ATOM 295 CA ARG A 20 0.250 -2.170 -0.892 1.00 0.00 C ATOM 296 C ARG A 20 -0.174 -2.619 -2.244 1.00 0.00 C ATOM 297 O ARG A 20 0.638 -2.874 -3.134 1.00 0.00 O ATOM 298 CB ARG A 20 0.282 -3.375 0.063 1.00 0.00 C ATOM 299 CG ARG A 20 0.393 -4.712 -0.644 1.00 0.00 C ATOM 300 CD ARG A 20 0.953 -5.788 0.273 1.00 0.00 C ATOM 301 NE ARG A 20 -0.069 -6.338 1.160 1.00 0.00 N ATOM 302 CZ ARG A 20 0.058 -7.491 1.813 1.00 0.00 C ATOM 303 NH1 ARG A 20 1.160 -8.218 1.681 1.00 0.00 N ATOM 304 NH2 ARG A 20 -0.920 -7.918 2.599 1.00 0.00 N ATOM 0 H ARG A 20 -1.140 -1.323 0.441 1.00 0.00 H new ATOM 0 HA ARG A 20 1.255 -1.747 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.125 -3.264 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.623 -3.370 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.590 -5.016 -1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.035 -4.609 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.381 -6.590 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.764 -5.370 0.870 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.931 -5.807 1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.915 -7.894 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.252 -9.101 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.770 -7.363 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.823 -8.801 3.100 1.00 0.00 H new ATOM 318 N GLU A 21 -1.475 -2.660 -2.399 1.00 0.00 N ATOM 319 CA GLU A 21 -2.029 -3.026 -3.692 1.00 0.00 C ATOM 320 C GLU A 21 -1.666 -1.932 -4.702 1.00 0.00 C ATOM 321 O GLU A 21 -1.378 -2.197 -5.870 1.00 0.00 O ATOM 322 CB GLU A 21 -3.548 -3.205 -3.609 1.00 0.00 C ATOM 323 CG GLU A 21 -4.303 -1.909 -3.365 1.00 0.00 C ATOM 324 CD GLU A 21 -5.700 -2.142 -2.824 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.581 -2.550 -3.610 1.00 0.00 O ATOM 326 OE2 GLU A 21 -5.914 -1.916 -1.614 1.00 0.00 O ATOM 0 H GLU A 21 -2.159 -2.452 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.609 -3.980 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.903 -3.653 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.779 -3.906 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.743 -1.293 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.367 -1.349 -4.298 1.00 0.00 H new ATOM 333 N SER A 22 -1.728 -0.695 -4.218 1.00 0.00 N ATOM 334 CA SER A 22 -1.459 0.482 -5.043 1.00 0.00 C ATOM 335 C SER A 22 0.025 0.626 -5.383 1.00 0.00 C ATOM 336 O SER A 22 0.394 1.293 -6.350 1.00 0.00 O ATOM 337 CB SER A 22 -1.953 1.745 -4.336 1.00 0.00 C ATOM 338 OG SER A 22 -3.369 1.779 -4.282 1.00 0.00 O ATOM 0 H SER A 22 -1.964 -0.479 -3.250 1.00 0.00 H new ATOM 0 HA SER A 22 -1.999 0.348 -5.980 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.546 1.782 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.585 2.627 -4.860 1.00 0.00 H new ATOM 0 HG SER A 22 -3.659 2.595 -3.824 1.00 0.00 H new ATOM 344 N ILE A 23 0.856 0.015 -4.565 1.00 0.00 N ATOM 345 CA ILE A 23 2.296 0.079 -4.737 1.00 0.00 C ATOM 346 C ILE A 23 2.752 -0.859 -5.826 1.00 0.00 C ATOM 347 O ILE A 23 3.609 -0.513 -6.640 1.00 0.00 O ATOM 348 CB ILE A 23 3.022 -0.263 -3.436 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.276 0.372 -2.266 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.466 0.207 -3.507 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.140 0.744 -1.085 1.00 0.00 C ATOM 0 H ILE A 23 0.555 -0.539 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 23 2.543 1.102 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 23 3.038 -1.343 -3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.768 1.268 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.504 -0.319 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.976 -0.041 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.969 -0.287 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.490 1.286 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.520 1.187 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.628 -0.149 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.896 1.463 -1.400 1.00 0.00 H new ATOM 363 N LYS A 24 2.168 -2.045 -5.854 1.00 0.00 N ATOM 364 CA LYS A 24 2.523 -3.008 -6.869 1.00 0.00 C ATOM 365 C LYS A 24 1.990 -2.546 -8.221 1.00 0.00 C ATOM 366 O LYS A 24 2.573 -2.836 -9.264 1.00 0.00 O ATOM 367 CB LYS A 24 1.998 -4.395 -6.518 1.00 0.00 C ATOM 368 CG LYS A 24 3.019 -5.499 -6.734 1.00 0.00 C ATOM 369 CD LYS A 24 3.858 -5.738 -5.486 1.00 0.00 C ATOM 370 CE LYS A 24 3.788 -7.188 -5.030 1.00 0.00 C ATOM 371 NZ LYS A 24 3.798 -8.139 -6.176 1.00 0.00 N ATOM 0 H LYS A 24 1.456 -2.357 -5.193 1.00 0.00 H new ATOM 0 HA LYS A 24 3.609 -3.077 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.681 -4.402 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.114 -4.604 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.507 -6.420 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.671 -5.235 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.895 -5.470 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.511 -5.087 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.632 -7.402 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.882 -7.339 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.230 -9.037 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.822 -8.312 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.349 -7.733 -6.959 1.00 0.00 H new ATOM 385 N ARG A 25 0.889 -1.794 -8.188 1.00 0.00 N ATOM 386 CA ARG A 25 0.295 -1.253 -9.408 1.00 0.00 C ATOM 387 C ARG A 25 1.125 -0.062 -9.867 1.00 0.00 C ATOM 388 O ARG A 25 1.502 0.046 -11.033 1.00 0.00 O ATOM 389 CB ARG A 25 -1.155 -0.829 -9.161 1.00 0.00 C ATOM 390 CG ARG A 25 -2.165 -1.931 -9.434 1.00 0.00 C ATOM 391 CD ARG A 25 -3.327 -1.876 -8.455 1.00 0.00 C ATOM 392 NE ARG A 25 -4.255 -0.790 -8.767 1.00 0.00 N ATOM 393 CZ ARG A 25 -5.508 -0.735 -8.323 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.990 -1.699 -7.549 1.00 0.00 N ATOM 395 NH2 ARG A 25 -6.283 0.288 -8.655 1.00 0.00 N ATOM 0 H ARG A 25 0.393 -1.547 -7.332 1.00 0.00 H new ATOM 0 HA ARG A 25 0.290 -2.020 -10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.258 -0.501 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.386 0.029 -9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.541 -1.837 -10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.674 -2.902 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.861 -2.826 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.943 -1.745 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.922 -0.030 -9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.399 -2.489 -7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.952 -1.650 -7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.919 1.032 -9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.244 0.331 -8.315 1.00 0.00 H new ATOM 409 N GLU A 26 1.429 0.809 -8.910 1.00 0.00 N ATOM 410 CA GLU A 26 2.250 1.982 -9.166 1.00 0.00 C ATOM 411 C GLU A 26 3.654 1.529 -9.548 1.00 0.00 C ATOM 412 O GLU A 26 4.461 2.307 -10.056 1.00 0.00 O ATOM 413 CB GLU A 26 2.302 2.885 -7.931 1.00 0.00 C ATOM 414 CG GLU A 26 1.001 3.626 -7.665 1.00 0.00 C ATOM 415 CD GLU A 26 1.055 5.074 -8.108 1.00 0.00 C ATOM 416 OE1 GLU A 26 0.985 5.325 -9.330 1.00 0.00 O ATOM 417 OE2 GLU A 26 1.167 5.959 -7.234 1.00 0.00 O ATOM 0 H GLU A 26 1.115 0.721 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 26 1.814 2.556 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.551 2.280 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.105 3.611 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.187 3.121 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.774 3.584 -6.600 1.00 0.00 H new ATOM 424 N ASN A 27 3.916 0.244 -9.316 1.00 0.00 N ATOM 425 CA ASN A 27 5.186 -0.361 -9.644 1.00 0.00 C ATOM 426 C ASN A 27 4.977 -1.845 -9.927 1.00 0.00 C ATOM 427 O ASN A 27 5.201 -2.690 -9.061 1.00 0.00 O ATOM 428 CB ASN A 27 6.187 -0.158 -8.507 1.00 0.00 C ATOM 429 CG ASN A 27 6.219 1.276 -8.015 1.00 0.00 C ATOM 430 OD1 ASN A 27 7.107 2.048 -8.375 1.00 0.00 O ATOM 431 ND2 ASN A 27 5.246 1.639 -7.187 1.00 0.00 N ATOM 0 H ASN A 27 3.247 -0.400 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 27 5.595 0.117 -10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.930 -0.818 -7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.182 -0.445 -8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.215 2.591 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.530 0.965 -6.915 1.00 0.00 H new ATOM 438 N PRO A 28 4.520 -2.178 -11.150 1.00 0.00 N ATOM 439 CA PRO A 28 4.248 -3.564 -11.553 1.00 0.00 C ATOM 440 C PRO A 28 5.513 -4.379 -11.796 1.00 0.00 C ATOM 441 O PRO A 28 5.566 -5.201 -12.711 1.00 0.00 O ATOM 442 CB PRO A 28 3.463 -3.404 -12.854 1.00 0.00 C ATOM 443 CG PRO A 28 3.925 -2.105 -13.415 1.00 0.00 C ATOM 444 CD PRO A 28 4.210 -1.221 -12.232 1.00 0.00 C ATOM 0 HA PRO A 28 3.717 -4.108 -10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.663 -4.226 -13.541 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.389 -3.397 -12.670 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.818 -2.239 -14.026 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.163 -1.664 -14.057 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.047 -0.550 -12.425 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.352 -0.597 -11.982 1.00 0.00 H new ATOM 452 N GLY A 29 6.526 -4.155 -10.971 1.00 0.00 N ATOM 453 CA GLY A 29 7.767 -4.881 -11.109 1.00 0.00 C ATOM 454 C GLY A 29 8.568 -4.899 -9.824 1.00 0.00 C ATOM 455 O GLY A 29 9.770 -5.161 -9.843 1.00 0.00 O ATOM 0 H GLY A 29 6.508 -3.480 -10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.554 -5.905 -11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.364 -4.428 -11.901 1.00 0.00 H new ATOM 459 N ILE A 30 7.907 -4.618 -8.701 1.00 0.00 N ATOM 460 CA ILE A 30 8.575 -4.605 -7.420 1.00 0.00 C ATOM 461 C ILE A 30 8.444 -5.946 -6.721 1.00 0.00 C ATOM 462 O ILE A 30 8.331 -6.993 -7.361 1.00 0.00 O ATOM 463 CB ILE A 30 8.023 -3.484 -6.506 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.653 -3.853 -5.909 1.00 0.00 C ATOM 465 CG2 ILE A 30 7.927 -2.198 -7.283 1.00 0.00 C ATOM 466 CD1 ILE A 30 5.888 -2.668 -5.349 1.00 0.00 C ATOM 0 H ILE A 30 6.912 -4.398 -8.663 1.00 0.00 H new ATOM 0 HA ILE A 30 9.630 -4.409 -7.611 1.00 0.00 H new ATOM 0 HB ILE A 30 8.715 -3.357 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.049 -4.332 -6.679 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.799 -4.587 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.538 -1.411 -6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.916 -1.916 -7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.257 -2.335 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.934 -3.008 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.471 -2.201 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.709 -1.942 -6.143 1.00 0.00 H new ATOM 478 N LYS A 31 8.479 -5.899 -5.407 1.00 0.00 N ATOM 479 CA LYS A 31 8.388 -7.063 -4.587 1.00 0.00 C ATOM 480 C LYS A 31 7.865 -6.685 -3.223 1.00 0.00 C ATOM 481 O LYS A 31 8.026 -5.558 -2.765 1.00 0.00 O ATOM 482 CB LYS A 31 9.766 -7.705 -4.488 1.00 0.00 C ATOM 483 CG LYS A 31 10.750 -6.937 -3.619 1.00 0.00 C ATOM 484 CD LYS A 31 11.997 -7.758 -3.332 1.00 0.00 C ATOM 485 CE LYS A 31 13.245 -6.890 -3.322 1.00 0.00 C ATOM 486 NZ LYS A 31 14.279 -7.415 -2.386 1.00 0.00 N ATOM 0 H LYS A 31 8.573 -5.031 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 31 7.696 -7.781 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.657 -8.714 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.182 -7.802 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.031 -6.009 -4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.270 -6.662 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.892 -8.257 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.101 -8.539 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.659 -6.838 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.978 -5.873 -3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.114 -6.795 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.893 -7.441 -1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.553 -8.376 -2.675 1.00 0.00 H new ATOM 500 N VAL A 32 7.248 -7.650 -2.592 1.00 0.00 N ATOM 501 CA VAL A 32 6.687 -7.508 -1.263 1.00 0.00 C ATOM 502 C VAL A 32 7.505 -6.560 -0.379 1.00 0.00 C ATOM 503 O VAL A 32 6.960 -5.834 0.454 1.00 0.00 O ATOM 504 CB VAL A 32 6.636 -8.902 -0.606 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.247 -9.953 -1.524 1.00 0.00 C ATOM 506 CG2 VAL A 32 7.351 -8.911 0.729 1.00 0.00 C ATOM 0 H VAL A 32 7.116 -8.579 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 32 5.690 -7.077 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 32 5.587 -9.143 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.201 -10.929 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.691 -9.985 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.287 -9.698 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.296 -9.909 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.396 -8.636 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.877 -8.195 1.401 1.00 0.00 H new ATOM 516 N THR A 33 8.815 -6.610 -0.553 1.00 0.00 N ATOM 517 CA THR A 33 9.742 -5.796 0.241 1.00 0.00 C ATOM 518 C THR A 33 9.814 -4.347 -0.239 1.00 0.00 C ATOM 519 O THR A 33 10.080 -3.433 0.552 1.00 0.00 O ATOM 520 CB THR A 33 11.139 -6.417 0.217 1.00 0.00 C ATOM 521 OG1 THR A 33 11.737 -6.260 -1.057 1.00 0.00 O ATOM 522 CG2 THR A 33 11.143 -7.892 0.549 1.00 0.00 C ATOM 0 H THR A 33 9.271 -7.209 -1.241 1.00 0.00 H new ATOM 0 HA THR A 33 9.357 -5.781 1.261 1.00 0.00 H new ATOM 0 HB THR A 33 11.704 -5.887 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.362 -5.506 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.165 -8.270 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.735 -8.041 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.532 -8.430 -0.176 1.00 0.00 H new ATOM 530 N GLU A 34 9.521 -4.114 -1.509 1.00 0.00 N ATOM 531 CA GLU A 34 9.517 -2.761 -2.036 1.00 0.00 C ATOM 532 C GLU A 34 8.168 -2.123 -1.752 1.00 0.00 C ATOM 533 O GLU A 34 8.022 -0.912 -1.794 1.00 0.00 O ATOM 534 CB GLU A 34 9.801 -2.762 -3.540 1.00 0.00 C ATOM 535 CG GLU A 34 9.356 -1.491 -4.256 1.00 0.00 C ATOM 536 CD GLU A 34 10.247 -0.306 -3.943 1.00 0.00 C ATOM 537 OE1 GLU A 34 10.878 -0.307 -2.865 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.314 0.622 -4.775 1.00 0.00 O ATOM 0 H GLU A 34 9.285 -4.838 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 34 10.304 -2.185 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.871 -2.900 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.299 -3.617 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.354 -1.666 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.331 -1.256 -3.969 1.00 0.00 H new ATOM 545 N ILE A 35 7.186 -2.956 -1.447 1.00 0.00 N ATOM 546 CA ILE A 35 5.865 -2.466 -1.137 1.00 0.00 C ATOM 547 C ILE A 35 5.908 -1.765 0.204 1.00 0.00 C ATOM 548 O ILE A 35 5.324 -0.699 0.394 1.00 0.00 O ATOM 549 CB ILE A 35 4.829 -3.602 -1.073 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.912 -4.487 -2.315 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.432 -3.029 -0.919 1.00 0.00 C ATOM 552 CD1 ILE A 35 3.943 -5.649 -2.284 1.00 0.00 C ATOM 0 H ILE A 35 7.284 -3.971 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 35 5.564 -1.782 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 35 5.052 -4.221 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.714 -3.881 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.927 -4.871 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.708 -3.843 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.378 -2.445 -0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.206 -2.388 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.052 -6.238 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.155 -6.276 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.923 -5.270 -2.217 1.00 0.00 H new ATOM 564 N ALA A 36 6.621 -2.382 1.134 1.00 0.00 N ATOM 565 CA ALA A 36 6.763 -1.842 2.468 1.00 0.00 C ATOM 566 C ALA A 36 7.710 -0.649 2.492 1.00 0.00 C ATOM 567 O ALA A 36 7.610 0.211 3.366 1.00 0.00 O ATOM 568 CB ALA A 36 7.248 -2.921 3.423 1.00 0.00 C ATOM 0 H ALA A 36 7.112 -3.263 0.983 1.00 0.00 H new ATOM 0 HA ALA A 36 5.783 -1.493 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.351 -2.502 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.527 -3.739 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.214 -3.297 3.086 1.00 0.00 H new ATOM 574 N LYS A 37 8.641 -0.602 1.541 1.00 0.00 N ATOM 575 CA LYS A 37 9.602 0.492 1.488 1.00 0.00 C ATOM 576 C LYS A 37 9.072 1.664 0.667 1.00 0.00 C ATOM 577 O LYS A 37 9.007 2.800 1.149 1.00 0.00 O ATOM 578 CB LYS A 37 10.927 0.004 0.900 1.00 0.00 C ATOM 579 CG LYS A 37 12.118 0.869 1.281 1.00 0.00 C ATOM 580 CD LYS A 37 12.574 0.593 2.705 1.00 0.00 C ATOM 581 CE LYS A 37 13.766 -0.351 2.734 1.00 0.00 C ATOM 582 NZ LYS A 37 14.240 -0.602 4.123 1.00 0.00 N ATOM 0 H LYS A 37 8.748 -1.301 0.806 1.00 0.00 H new ATOM 0 HA LYS A 37 9.764 0.840 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.109 -1.017 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.843 -0.026 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.941 0.681 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.852 1.921 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.840 1.531 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.751 0.160 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.492 -1.297 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.579 0.072 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.053 -1.250 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.526 0.297 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.472 -1.029 4.680 1.00 0.00 H new ATOM 596 N LYS A 38 8.706 1.386 -0.579 1.00 0.00 N ATOM 597 CA LYS A 38 8.200 2.408 -1.477 1.00 0.00 C ATOM 598 C LYS A 38 6.915 3.028 -0.957 1.00 0.00 C ATOM 599 O LYS A 38 6.576 4.157 -1.309 1.00 0.00 O ATOM 600 CB LYS A 38 7.967 1.806 -2.866 1.00 0.00 C ATOM 601 CG LYS A 38 7.095 2.657 -3.775 1.00 0.00 C ATOM 602 CD LYS A 38 7.932 3.627 -4.588 1.00 0.00 C ATOM 603 CE LYS A 38 7.943 3.257 -6.062 1.00 0.00 C ATOM 604 NZ LYS A 38 8.969 4.025 -6.820 1.00 0.00 N ATOM 0 H LYS A 38 8.752 0.453 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 38 8.947 3.200 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.932 1.650 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.505 0.825 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.527 2.012 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.372 3.210 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.539 4.637 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.953 3.636 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.138 2.190 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.959 3.445 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.944 3.743 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.769 5.043 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.911 3.826 -6.428 1.00 0.00 H new ATOM 618 N GLY A 39 6.197 2.300 -0.123 1.00 0.00 N ATOM 619 CA GLY A 39 4.977 2.837 0.404 1.00 0.00 C ATOM 620 C GLY A 39 5.252 3.823 1.515 1.00 0.00 C ATOM 621 O GLY A 39 4.688 4.915 1.563 1.00 0.00 O ATOM 0 H GLY A 39 6.436 1.360 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.418 3.328 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.352 2.027 0.779 1.00 0.00 H new ATOM 625 N GLY A 40 6.124 3.425 2.413 1.00 0.00 N ATOM 626 CA GLY A 40 6.482 4.265 3.541 1.00 0.00 C ATOM 627 C GLY A 40 6.852 5.674 3.129 1.00 0.00 C ATOM 628 O GLY A 40 6.429 6.640 3.761 1.00 0.00 O ATOM 0 H GLY A 40 6.601 2.524 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.646 4.303 4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.321 3.815 4.072 1.00 0.00 H new ATOM 632 N GLU A 41 7.643 5.795 2.070 1.00 0.00 N ATOM 633 CA GLU A 41 8.059 7.109 1.587 1.00 0.00 C ATOM 634 C GLU A 41 6.848 7.987 1.274 1.00 0.00 C ATOM 635 O GLU A 41 6.803 9.157 1.652 1.00 0.00 O ATOM 636 CB GLU A 41 8.925 6.964 0.338 1.00 0.00 C ATOM 637 CG GLU A 41 8.283 6.109 -0.738 1.00 0.00 C ATOM 638 CD GLU A 41 9.160 5.955 -1.965 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.071 5.102 -1.939 1.00 0.00 O ATOM 640 OE2 GLU A 41 8.934 6.687 -2.951 1.00 0.00 O ATOM 0 H GLU A 41 8.007 5.008 1.532 1.00 0.00 H new ATOM 0 HA GLU A 41 8.640 7.588 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.133 7.954 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.884 6.526 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.062 5.123 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.332 6.554 -1.030 1.00 0.00 H new ATOM 647 N MET A 42 5.874 7.414 0.575 1.00 0.00 N ATOM 648 CA MET A 42 4.668 8.137 0.201 1.00 0.00 C ATOM 649 C MET A 42 3.769 8.341 1.406 1.00 0.00 C ATOM 650 O MET A 42 3.155 9.395 1.576 1.00 0.00 O ATOM 651 CB MET A 42 3.902 7.366 -0.872 1.00 0.00 C ATOM 652 CG MET A 42 3.068 6.221 -0.318 1.00 0.00 C ATOM 653 SD MET A 42 1.908 5.566 -1.525 1.00 0.00 S ATOM 654 CE MET A 42 2.621 3.950 -1.782 1.00 0.00 C ATOM 0 H MET A 42 5.899 6.446 0.255 1.00 0.00 H new ATOM 0 HA MET A 42 4.966 9.110 -0.190 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.248 8.055 -1.407 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.611 6.970 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.730 5.422 0.015 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.519 6.566 0.558 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.013 3.394 -2.496 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.633 4.057 -2.173 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.653 3.411 -0.835 1.00 0.00 H new ATOM 664 N TRP A 43 3.687 7.306 2.227 1.00 0.00 N ATOM 665 CA TRP A 43 2.862 7.325 3.407 1.00 0.00 C ATOM 666 C TRP A 43 3.278 8.441 4.365 1.00 0.00 C ATOM 667 O TRP A 43 2.452 9.255 4.778 1.00 0.00 O ATOM 668 CB TRP A 43 2.950 5.945 4.048 1.00 0.00 C ATOM 669 CG TRP A 43 2.723 5.904 5.509 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.660 6.009 6.473 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.477 5.711 6.158 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.071 5.890 7.713 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.720 5.705 7.539 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.179 5.546 5.693 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.697 5.530 8.466 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.838 5.375 6.606 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.576 5.366 7.982 1.00 0.00 C ATOM 0 H TRP A 43 4.194 6.432 2.087 1.00 0.00 H new ATOM 0 HA TRP A 43 1.826 7.541 3.146 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.221 5.293 3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.936 5.529 3.840 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.715 6.163 6.299 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.556 5.932 8.609 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.030 5.552 4.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.898 5.524 9.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.852 5.246 6.256 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.392 5.227 8.675 1.00 0.00 H new ATOM 688 N LYS A 44 4.557 8.469 4.720 1.00 0.00 N ATOM 689 CA LYS A 44 5.084 9.477 5.636 1.00 0.00 C ATOM 690 C LYS A 44 4.596 10.889 5.294 1.00 0.00 C ATOM 691 O LYS A 44 4.514 11.748 6.172 1.00 0.00 O ATOM 692 CB LYS A 44 6.614 9.442 5.621 1.00 0.00 C ATOM 693 CG LYS A 44 7.210 8.510 6.663 1.00 0.00 C ATOM 694 CD LYS A 44 8.243 9.218 7.525 1.00 0.00 C ATOM 695 CE LYS A 44 9.660 8.846 7.117 1.00 0.00 C ATOM 696 NZ LYS A 44 10.175 7.684 7.891 1.00 0.00 N ATOM 0 H LYS A 44 5.253 7.802 4.386 1.00 0.00 H new ATOM 0 HA LYS A 44 4.713 9.236 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.953 9.132 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.994 10.450 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.415 8.117 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.673 7.657 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.111 10.297 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.085 8.958 8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.681 8.611 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.317 9.702 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.143 7.463 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.179 7.916 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.563 6.859 7.728 1.00 0.00 H new ATOM 710 N GLU A 45 4.286 11.134 4.022 1.00 0.00 N ATOM 711 CA GLU A 45 3.825 12.456 3.595 1.00 0.00 C ATOM 712 C GLU A 45 2.485 12.383 2.864 1.00 0.00 C ATOM 713 O GLU A 45 2.251 13.123 1.908 1.00 0.00 O ATOM 714 CB GLU A 45 4.872 13.111 2.695 1.00 0.00 C ATOM 715 CG GLU A 45 6.125 13.548 3.436 1.00 0.00 C ATOM 716 CD GLU A 45 5.829 14.516 4.564 1.00 0.00 C ATOM 717 OE1 GLU A 45 5.438 14.055 5.656 1.00 0.00 O ATOM 718 OE2 GLU A 45 5.986 15.738 4.354 1.00 0.00 O ATOM 0 H GLU A 45 4.344 10.442 3.275 1.00 0.00 H new ATOM 0 HA GLU A 45 3.683 13.060 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.151 12.411 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.428 13.978 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.629 12.670 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.814 14.016 2.733 1.00 0.00 H new ATOM 725 N LEU A 46 1.613 11.487 3.311 1.00 0.00 N ATOM 726 CA LEU A 46 0.305 11.328 2.684 1.00 0.00 C ATOM 727 C LEU A 46 -0.816 11.748 3.648 1.00 0.00 C ATOM 728 O LEU A 46 -0.703 11.563 4.860 1.00 0.00 O ATOM 729 CB LEU A 46 0.161 9.881 2.167 1.00 0.00 C ATOM 730 CG LEU A 46 -0.994 9.051 2.719 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.246 7.842 1.838 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.705 8.610 4.140 1.00 0.00 C ATOM 0 H LEU A 46 1.785 10.863 4.099 1.00 0.00 H new ATOM 0 HA LEU A 46 0.217 11.990 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.060 9.919 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.089 9.352 2.383 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.889 9.674 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.073 7.261 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.497 8.172 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.349 7.223 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.541 8.020 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.202 8.006 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.568 9.487 4.772 1.00 0.00 H new ATOM 744 N LYS A 47 -1.885 12.346 3.105 1.00 0.00 N ATOM 745 CA LYS A 47 -3.010 12.821 3.924 1.00 0.00 C ATOM 746 C LYS A 47 -4.103 11.772 4.052 1.00 0.00 C ATOM 747 O LYS A 47 -5.213 12.063 4.497 1.00 0.00 O ATOM 748 CB LYS A 47 -3.589 14.109 3.334 1.00 0.00 C ATOM 749 CG LYS A 47 -4.166 13.934 1.938 1.00 0.00 C ATOM 750 CD LYS A 47 -5.681 13.816 1.971 1.00 0.00 C ATOM 751 CE LYS A 47 -6.255 13.625 0.577 1.00 0.00 C ATOM 752 NZ LYS A 47 -5.607 12.493 -0.141 1.00 0.00 N ATOM 0 H LYS A 47 -1.995 12.512 2.105 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.623 13.021 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.370 14.483 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.807 14.868 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.880 14.782 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.741 13.043 1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.968 12.975 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.107 14.712 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.327 13.443 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.124 14.542 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.190 12.221 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.665 12.785 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.513 11.682 0.503 1.00 0.00 H new ATOM 766 N ASP A 48 -3.761 10.547 3.711 1.00 0.00 N ATOM 767 CA ASP A 48 -4.676 9.433 3.832 1.00 0.00 C ATOM 768 C ASP A 48 -4.329 8.658 5.098 1.00 0.00 C ATOM 769 O ASP A 48 -5.087 7.800 5.547 1.00 0.00 O ATOM 770 CB ASP A 48 -4.585 8.524 2.605 1.00 0.00 C ATOM 771 CG ASP A 48 -5.600 8.887 1.540 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.642 9.481 1.890 1.00 0.00 O ATOM 773 OD2 ASP A 48 -5.354 8.576 0.355 1.00 0.00 O ATOM 0 H ASP A 48 -2.843 10.297 3.343 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.699 9.803 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.582 8.587 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.738 7.489 2.911 1.00 0.00 H new ATOM 778 N LYS A 49 -3.166 8.990 5.668 1.00 0.00 N ATOM 779 CA LYS A 49 -2.682 8.358 6.884 1.00 0.00 C ATOM 780 C LYS A 49 -3.336 8.979 8.109 1.00 0.00 C ATOM 781 O LYS A 49 -3.484 8.325 9.132 1.00 0.00 O ATOM 782 CB LYS A 49 -1.162 8.493 6.980 1.00 0.00 C ATOM 783 CG LYS A 49 -0.605 8.216 8.358 1.00 0.00 C ATOM 784 CD LYS A 49 -0.263 9.503 9.087 1.00 0.00 C ATOM 785 CE LYS A 49 0.823 10.272 8.353 1.00 0.00 C ATOM 786 NZ LYS A 49 1.473 11.288 9.226 1.00 0.00 N ATOM 0 H LYS A 49 -2.540 9.704 5.295 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.944 7.301 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.701 7.808 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.878 9.502 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.333 7.650 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.287 7.596 8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.155 10.123 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.069 9.274 10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.576 9.575 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.392 10.765 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.207 11.790 8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.760 11.969 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.907 10.816 10.045 1.00 0.00 H new ATOM 800 N SER A 50 -3.779 10.223 7.994 1.00 0.00 N ATOM 801 CA SER A 50 -4.464 10.859 9.106 1.00 0.00 C ATOM 802 C SER A 50 -5.799 10.157 9.289 1.00 0.00 C ATOM 803 O SER A 50 -6.336 10.063 10.393 1.00 0.00 O ATOM 804 CB SER A 50 -4.676 12.351 8.833 1.00 0.00 C ATOM 805 OG SER A 50 -5.419 12.959 9.875 1.00 0.00 O ATOM 0 H SER A 50 -3.679 10.801 7.159 1.00 0.00 H new ATOM 0 HA SER A 50 -3.864 10.777 10.012 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.710 12.847 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.199 12.480 7.886 1.00 0.00 H new ATOM 0 HG SER A 50 -5.540 13.911 9.678 1.00 0.00 H new ATOM 811 N LYS A 51 -6.312 9.663 8.168 1.00 0.00 N ATOM 812 CA LYS A 51 -7.585 8.950 8.141 1.00 0.00 C ATOM 813 C LYS A 51 -7.379 7.438 8.244 1.00 0.00 C ATOM 814 O LYS A 51 -8.300 6.703 8.601 1.00 0.00 O ATOM 815 CB LYS A 51 -8.352 9.282 6.859 1.00 0.00 C ATOM 816 CG LYS A 51 -7.669 8.782 5.598 1.00 0.00 C ATOM 817 CD LYS A 51 -8.570 8.920 4.382 1.00 0.00 C ATOM 818 CE LYS A 51 -8.294 7.831 3.357 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.071 6.594 3.639 1.00 0.00 N ATOM 0 H LYS A 51 -5.861 9.744 7.257 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.166 9.275 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.350 8.847 6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.479 10.362 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.749 9.343 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.387 7.737 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.613 8.872 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.419 9.898 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.544 8.198 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.229 7.598 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.424 5.782 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.571 6.697 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.762 6.437 2.878 1.00 0.00 H new ATOM 833 N TRP A 52 -6.172 6.977 7.923 1.00 0.00 N ATOM 834 CA TRP A 52 -5.859 5.550 7.973 1.00 0.00 C ATOM 835 C TRP A 52 -5.134 5.184 9.265 1.00 0.00 C ATOM 836 O TRP A 52 -5.433 4.168 9.891 1.00 0.00 O ATOM 837 CB TRP A 52 -4.995 5.156 6.773 1.00 0.00 C ATOM 838 CG TRP A 52 -5.784 4.653 5.601 1.00 0.00 C ATOM 839 CD1 TRP A 52 -5.715 5.107 4.316 1.00 0.00 C ATOM 840 CD2 TRP A 52 -6.758 3.600 5.603 1.00 0.00 C ATOM 841 NE1 TRP A 52 -6.584 4.403 3.519 1.00 0.00 N ATOM 842 CE2 TRP A 52 -7.236 3.472 4.285 1.00 0.00 C ATOM 843 CE3 TRP A 52 -7.271 2.751 6.588 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -8.200 2.533 3.929 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -8.228 1.819 6.233 1.00 0.00 C ATOM 846 CH2 TRP A 52 -8.683 1.716 4.914 1.00 0.00 C ATOM 0 H TRP A 52 -5.396 7.569 7.626 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.801 5.003 7.941 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.407 6.019 6.461 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.289 4.385 7.082 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.071 5.904 3.975 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.722 4.549 2.519 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -6.926 2.822 7.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.554 2.452 2.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -8.631 1.159 6.987 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.431 0.976 4.669 1.00 0.00 H new ATOM 857 N GLU A 53 -4.185 6.021 9.667 1.00 0.00 N ATOM 858 CA GLU A 53 -3.420 5.782 10.888 1.00 0.00 C ATOM 859 C GLU A 53 -4.346 5.490 12.057 1.00 0.00 C ATOM 860 O GLU A 53 -4.061 4.638 12.902 1.00 0.00 O ATOM 861 CB GLU A 53 -2.539 6.990 11.217 1.00 0.00 C ATOM 862 CG GLU A 53 -3.292 8.152 11.851 1.00 0.00 C ATOM 863 CD GLU A 53 -2.448 9.409 11.949 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.205 9.294 11.913 1.00 0.00 O ATOM 865 OE2 GLU A 53 -3.031 10.507 12.064 1.00 0.00 O ATOM 0 H GLU A 53 -3.926 6.871 9.167 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.783 4.914 10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.744 6.674 11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.060 7.337 10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.186 8.364 11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.625 7.864 12.848 1.00 0.00 H new ATOM 872 N ASP A 54 -5.452 6.210 12.097 1.00 0.00 N ATOM 873 CA ASP A 54 -6.420 6.041 13.158 1.00 0.00 C ATOM 874 C ASP A 54 -7.067 4.682 13.074 1.00 0.00 C ATOM 875 O ASP A 54 -7.387 4.087 14.093 1.00 0.00 O ATOM 876 CB ASP A 54 -7.476 7.147 13.119 1.00 0.00 C ATOM 877 CG ASP A 54 -6.961 8.459 13.678 1.00 0.00 C ATOM 878 OD1 ASP A 54 -6.768 8.544 14.909 1.00 0.00 O ATOM 879 OD2 ASP A 54 -6.751 9.401 12.886 1.00 0.00 O ATOM 0 H ASP A 54 -5.700 6.917 11.405 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.894 6.113 14.110 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.803 7.297 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.350 6.831 13.688 1.00 0.00 H new ATOM 884 N ALA A 55 -7.232 4.171 11.866 1.00 0.00 N ATOM 885 CA ALA A 55 -7.811 2.853 11.703 1.00 0.00 C ATOM 886 C ALA A 55 -6.993 1.855 12.511 1.00 0.00 C ATOM 887 O ALA A 55 -7.537 0.981 13.185 1.00 0.00 O ATOM 888 CB ALA A 55 -7.851 2.459 10.233 1.00 0.00 C ATOM 0 H ALA A 55 -6.977 4.641 10.998 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.839 2.858 12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.289 1.466 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.454 3.179 9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.838 2.450 9.831 1.00 0.00 H new ATOM 894 N ALA A 56 -5.672 1.984 12.412 1.00 0.00 N ATOM 895 CA ALA A 56 -4.741 1.095 13.099 1.00 0.00 C ATOM 896 C ALA A 56 -4.931 1.112 14.614 1.00 0.00 C ATOM 897 O ALA A 56 -5.082 0.061 15.238 1.00 0.00 O ATOM 898 CB ALA A 56 -3.317 1.494 12.756 1.00 0.00 C ATOM 0 H ALA A 56 -5.218 2.707 11.854 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.943 0.079 12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.620 0.831 13.268 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.167 1.416 11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.140 2.522 13.074 1.00 0.00 H new ATOM 904 N ALA A 57 -4.909 2.304 15.205 1.00 0.00 N ATOM 905 CA ALA A 57 -5.066 2.440 16.654 1.00 0.00 C ATOM 906 C ALA A 57 -6.496 2.136 17.088 1.00 0.00 C ATOM 907 O ALA A 57 -6.738 1.699 18.213 1.00 0.00 O ATOM 908 CB ALA A 57 -4.665 3.838 17.097 1.00 0.00 C ATOM 0 H ALA A 57 -4.785 3.186 14.708 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.410 1.714 17.133 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.786 3.926 18.177 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.623 4.018 16.833 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.298 4.573 16.599 1.00 0.00 H new ATOM 914 N LYS A 58 -7.436 2.373 16.186 1.00 0.00 N ATOM 915 CA LYS A 58 -8.841 2.129 16.465 1.00 0.00 C ATOM 916 C LYS A 58 -9.140 0.645 16.342 1.00 0.00 C ATOM 917 O LYS A 58 -9.954 0.100 17.084 1.00 0.00 O ATOM 918 CB LYS A 58 -9.739 2.948 15.526 1.00 0.00 C ATOM 919 CG LYS A 58 -10.282 2.174 14.331 1.00 0.00 C ATOM 920 CD LYS A 58 -11.269 3.006 13.535 1.00 0.00 C ATOM 921 CE LYS A 58 -12.618 3.090 14.233 1.00 0.00 C ATOM 922 NZ LYS A 58 -13.210 1.743 14.462 1.00 0.00 N ATOM 0 H LYS A 58 -7.249 2.736 15.251 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.055 2.447 17.485 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.579 3.341 16.099 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.174 3.805 15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.457 1.871 13.687 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.768 1.262 14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.869 4.010 13.393 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.397 2.571 12.544 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.501 3.602 15.188 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.301 3.689 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.241 1.830 14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.994 1.127 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.809 1.330 15.328 1.00 0.00 H new ATOM 936 N ASP A 59 -8.479 0.003 15.389 1.00 0.00 N ATOM 937 CA ASP A 59 -8.672 -1.411 15.148 1.00 0.00 C ATOM 938 C ASP A 59 -7.899 -2.246 16.158 1.00 0.00 C ATOM 939 O ASP A 59 -8.358 -3.305 16.567 1.00 0.00 O ATOM 940 CB ASP A 59 -8.229 -1.757 13.728 1.00 0.00 C ATOM 941 CG ASP A 59 -9.278 -1.408 12.692 1.00 0.00 C ATOM 942 OD1 ASP A 59 -10.135 -0.547 12.983 1.00 0.00 O ATOM 943 OD2 ASP A 59 -9.243 -1.995 11.590 1.00 0.00 O ATOM 0 H ASP A 59 -7.801 0.447 14.769 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.732 -1.640 15.261 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.306 -1.225 13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.006 -2.822 13.670 1.00 0.00 H new ATOM 948 N LYS A 60 -6.723 -1.771 16.562 1.00 0.00 N ATOM 949 CA LYS A 60 -5.915 -2.497 17.531 1.00 0.00 C ATOM 950 C LYS A 60 -6.673 -2.570 18.841 1.00 0.00 C ATOM 951 O LYS A 60 -6.678 -3.589 19.533 1.00 0.00 O ATOM 952 CB LYS A 60 -4.558 -1.800 17.720 1.00 0.00 C ATOM 953 CG LYS A 60 -4.025 -1.830 19.148 1.00 0.00 C ATOM 954 CD LYS A 60 -3.736 -3.250 19.604 1.00 0.00 C ATOM 955 CE LYS A 60 -2.243 -3.541 19.610 1.00 0.00 C ATOM 956 NZ LYS A 60 -1.874 -4.536 20.656 1.00 0.00 N ATOM 0 H LYS A 60 -6.314 -0.895 16.236 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.722 -3.508 17.171 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.827 -2.271 17.063 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.650 -0.762 17.402 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.114 -1.234 19.210 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.752 -1.372 19.819 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.141 -3.401 20.604 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.242 -3.955 18.945 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.942 -3.915 18.631 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.694 -2.615 19.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.121 -5.156 20.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.535 -4.039 21.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.707 -5.109 20.900 1.00 0.00 H new ATOM 970 N GLN A 61 -7.307 -1.461 19.158 1.00 0.00 N ATOM 971 CA GLN A 61 -8.075 -1.329 20.361 1.00 0.00 C ATOM 972 C GLN A 61 -9.418 -2.004 20.221 1.00 0.00 C ATOM 973 O GLN A 61 -9.875 -2.672 21.134 1.00 0.00 O ATOM 974 CB GLN A 61 -8.263 0.138 20.708 1.00 0.00 C ATOM 975 CG GLN A 61 -7.627 0.499 22.026 1.00 0.00 C ATOM 976 CD GLN A 61 -8.618 1.091 23.007 1.00 0.00 C ATOM 977 OE1 GLN A 61 -9.150 2.180 22.791 1.00 0.00 O ATOM 978 NE2 GLN A 61 -8.872 0.373 24.094 1.00 0.00 N ATOM 0 H GLN A 61 -7.299 -0.622 18.577 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.528 -1.818 21.167 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.833 0.754 19.918 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.328 0.367 20.746 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.176 -0.391 22.464 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.821 1.213 21.853 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.408 -0.525 24.232 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.531 0.719 24.791 1.00 0.00 H new ATOM 987 N ARG A 62 -10.058 -1.827 19.087 1.00 0.00 N ATOM 988 CA ARG A 62 -11.351 -2.439 18.880 1.00 0.00 C ATOM 989 C ARG A 62 -11.222 -3.948 18.689 1.00 0.00 C ATOM 990 O ARG A 62 -12.208 -4.679 18.772 1.00 0.00 O ATOM 991 CB ARG A 62 -12.056 -1.831 17.672 1.00 0.00 C ATOM 992 CG ARG A 62 -13.056 -2.779 17.041 1.00 0.00 C ATOM 993 CD ARG A 62 -13.672 -2.191 15.783 1.00 0.00 C ATOM 994 NE ARG A 62 -12.795 -2.344 14.621 1.00 0.00 N ATOM 995 CZ ARG A 62 -13.231 -2.388 13.364 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.526 -2.262 13.095 1.00 0.00 N ATOM 997 NH2 ARG A 62 -12.371 -2.555 12.369 1.00 0.00 N ATOM 0 H ARG A 62 -9.711 -1.273 18.304 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.947 -2.247 19.772 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.569 -0.919 17.977 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.312 -1.546 16.928 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.562 -3.720 16.799 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.844 -3.008 17.759 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.626 -2.679 15.584 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.882 -1.133 15.942 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.791 -2.421 14.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.194 -2.130 13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.852 -2.297 12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.375 -2.650 12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.706 -2.589 11.406 1.00 0.00 H new ATOM 1011 N TYR A 63 -10.010 -4.406 18.422 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.773 -5.826 18.205 1.00 0.00 C ATOM 1013 C TYR A 63 -9.473 -6.493 19.521 1.00 0.00 C ATOM 1014 O TYR A 63 -10.081 -7.491 19.880 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.617 -6.045 17.229 1.00 0.00 C ATOM 1016 CG TYR A 63 -9.041 -6.048 15.778 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -9.941 -5.107 15.295 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -8.540 -6.992 14.892 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -10.329 -5.107 13.968 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -8.922 -7.000 13.564 1.00 0.00 C ATOM 1021 CZ TYR A 63 -9.818 -6.055 13.108 1.00 0.00 C ATOM 1022 OH TYR A 63 -10.202 -6.058 11.787 1.00 0.00 O ATOM 0 H TYR A 63 -9.178 -3.820 18.350 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.670 -6.266 17.770 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.873 -5.263 17.379 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.133 -6.994 17.459 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.344 -4.363 15.967 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.839 -7.733 15.247 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.029 -4.368 13.607 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.522 -7.741 12.888 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.750 -6.789 11.317 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.563 -5.894 20.258 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.190 -6.369 21.559 1.00 0.00 C ATOM 1034 C HIS A 64 -9.326 -6.078 22.541 1.00 0.00 C ATOM 1035 O HIS A 64 -9.327 -6.545 23.669 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.899 -5.679 21.978 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.130 -4.409 22.702 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.126 -3.559 22.341 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.512 -3.848 23.759 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -8.130 -2.520 23.132 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.157 -2.663 24.015 1.00 0.00 N ATOM 0 H HIS A 64 -8.061 -5.057 19.962 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.019 -7.445 21.548 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.323 -6.353 22.612 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.295 -5.481 21.092 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.774 -3.710 21.568 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.670 -4.253 24.301 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.813 -1.685 23.074 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.252 -5.235 22.102 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.366 -4.836 22.929 1.00 0.00 C ATOM 1052 C ASP A 65 -12.422 -5.918 22.959 1.00 0.00 C ATOM 1053 O ASP A 65 -13.370 -5.830 23.740 1.00 0.00 O ATOM 1054 CB ASP A 65 -11.994 -3.541 22.417 1.00 0.00 C ATOM 1055 CG ASP A 65 -11.534 -2.324 23.195 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -11.310 -2.450 24.418 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -11.394 -1.245 22.582 1.00 0.00 O ATOM 0 H ASP A 65 -10.246 -4.817 21.172 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.983 -4.673 23.936 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.743 -3.411 21.364 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.079 -3.618 22.479 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.305 -6.925 22.088 1.00 0.00 N ATOM 1063 CA GLU A 66 -13.315 -7.936 22.062 1.00 0.00 C ATOM 1064 C GLU A 66 -12.873 -9.119 21.257 1.00 0.00 C ATOM 1065 O GLU A 66 -13.230 -10.255 21.568 1.00 0.00 O ATOM 1066 CB GLU A 66 -14.597 -7.363 21.468 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.391 -6.677 20.127 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.653 -6.648 19.287 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -15.954 -7.669 18.633 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.342 -5.606 19.285 1.00 0.00 O ATOM 0 H GLU A 66 -11.542 -7.044 21.421 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.496 -8.266 23.085 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.323 -8.167 21.348 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.026 -6.648 22.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.047 -5.656 20.294 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.604 -7.193 19.576 1.00 0.00 H new ATOM 1077 N MET A 67 -12.105 -8.873 20.209 1.00 0.00 N ATOM 1078 CA MET A 67 -11.638 -9.932 19.361 1.00 0.00 C ATOM 1079 C MET A 67 -10.160 -10.147 19.597 1.00 0.00 C ATOM 1080 O MET A 67 -9.475 -10.767 18.782 1.00 0.00 O ATOM 1081 CB MET A 67 -11.871 -9.521 17.915 1.00 0.00 C ATOM 1082 CG MET A 67 -13.185 -8.787 17.699 1.00 0.00 C ATOM 1083 SD MET A 67 -14.046 -9.318 16.206 1.00 0.00 S ATOM 1084 CE MET A 67 -13.331 -8.212 14.991 1.00 0.00 C ATOM 0 H MET A 67 -11.796 -7.941 19.933 1.00 0.00 H new ATOM 0 HA MET A 67 -12.171 -10.858 19.578 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.049 -8.883 17.590 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.853 -10.410 17.285 1.00 0.00 H new ATOM 0 HG2 MET A 67 -13.831 -8.947 18.562 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.992 -7.716 17.640 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.506 -8.608 13.991 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.793 -7.229 15.078 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.258 -8.126 15.164 1.00 0.00 H new ATOM 1094 N ARG A 68 -9.676 -9.621 20.723 1.00 0.00 N ATOM 1095 CA ARG A 68 -8.283 -9.740 21.091 1.00 0.00 C ATOM 1096 C ARG A 68 -7.820 -11.110 20.717 1.00 0.00 C ATOM 1097 O ARG A 68 -6.824 -11.293 20.018 1.00 0.00 O ATOM 1098 CB ARG A 68 -8.115 -9.533 22.602 1.00 0.00 C ATOM 1099 CG ARG A 68 -9.349 -9.918 23.408 1.00 0.00 C ATOM 1100 CD ARG A 68 -10.156 -8.709 23.820 1.00 0.00 C ATOM 1101 NE ARG A 68 -11.319 -9.074 24.625 1.00 0.00 N ATOM 1102 CZ ARG A 68 -11.270 -9.319 25.932 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -10.118 -9.245 26.587 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -12.377 -9.642 26.587 1.00 0.00 N ATOM 0 H ARG A 68 -10.243 -9.105 21.396 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.695 -8.983 20.572 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.266 -10.121 22.949 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.877 -8.487 22.793 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.974 -10.587 22.816 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.044 -10.470 24.297 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.523 -8.027 24.387 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.485 -8.173 22.930 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.223 -9.145 24.157 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.263 -8.999 26.089 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.088 -9.434 27.589 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.265 -9.702 26.089 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.340 -9.830 27.589 1.00 0.00 H new ATOM 1118 N ASN A 69 -8.544 -12.075 21.235 1.00 0.00 N ATOM 1119 CA ASN A 69 -8.211 -13.471 21.015 1.00 0.00 C ATOM 1120 C ASN A 69 -9.329 -14.243 20.313 1.00 0.00 C ATOM 1121 O ASN A 69 -9.400 -15.468 20.418 1.00 0.00 O ATOM 1122 CB ASN A 69 -7.898 -14.122 22.360 1.00 0.00 C ATOM 1123 CG ASN A 69 -8.752 -13.586 23.499 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -8.238 -13.251 24.567 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -10.061 -13.501 23.282 1.00 0.00 N ATOM 0 H ASN A 69 -9.370 -11.923 21.814 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.343 -13.506 20.356 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.047 -15.199 22.279 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.846 -13.963 22.597 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.677 -13.148 24.014 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.449 -13.789 22.383 1.00 0.00 H new ATOM 1132 N TYR A 70 -10.196 -13.537 19.600 1.00 0.00 N ATOM 1133 CA TYR A 70 -11.297 -14.186 18.892 1.00 0.00 C ATOM 1134 C TYR A 70 -10.810 -14.821 17.592 1.00 0.00 C ATOM 1135 O TYR A 70 -11.250 -14.451 16.504 1.00 0.00 O ATOM 1136 CB TYR A 70 -12.413 -13.182 18.596 1.00 0.00 C ATOM 1137 CG TYR A 70 -13.393 -13.008 19.737 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -12.963 -13.018 21.058 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -14.749 -12.837 19.491 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -13.855 -12.861 22.101 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -15.648 -12.679 20.528 1.00 0.00 C ATOM 1142 CZ TYR A 70 -15.197 -12.692 21.830 1.00 0.00 C ATOM 1143 OH TYR A 70 -16.089 -12.536 22.866 1.00 0.00 O ATOM 0 H TYR A 70 -10.162 -12.523 19.495 1.00 0.00 H new ATOM 0 HA TYR A 70 -11.691 -14.972 19.536 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.967 -12.215 18.361 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.956 -13.507 17.709 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.913 -13.151 21.273 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.107 -12.827 18.472 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.504 -12.871 23.122 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.699 -12.546 20.319 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.994 -12.427 22.505 1.00 0.00 H new ATOM 1153 N LYS A 71 -9.898 -15.782 17.713 1.00 0.00 N ATOM 1154 CA LYS A 71 -9.354 -16.469 16.548 1.00 0.00 C ATOM 1155 C LYS A 71 -10.215 -17.672 16.172 1.00 0.00 C ATOM 1156 O LYS A 71 -10.771 -18.344 17.041 1.00 0.00 O ATOM 1157 CB LYS A 71 -7.918 -16.921 16.822 1.00 0.00 C ATOM 1158 CG LYS A 71 -7.779 -17.782 18.067 1.00 0.00 C ATOM 1159 CD LYS A 71 -6.402 -18.418 18.153 1.00 0.00 C ATOM 1160 CE LYS A 71 -6.389 -19.807 17.536 1.00 0.00 C ATOM 1161 NZ LYS A 71 -6.751 -20.858 18.526 1.00 0.00 N ATOM 0 H LYS A 71 -9.521 -16.101 18.605 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.355 -15.770 15.712 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.551 -17.480 15.961 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.282 -16.042 16.926 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.956 -17.173 18.953 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.541 -18.561 18.059 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.676 -17.785 17.643 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.093 -18.480 19.197 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.088 -19.839 16.700 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.399 -20.015 17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.648 -21.796 18.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.122 -20.789 19.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.736 -20.724 18.830 1.00 0.00 H new ATOM 1175 N PRO A 72 -10.338 -17.962 14.864 1.00 0.00 N ATOM 1176 CA PRO A 72 -11.137 -19.091 14.379 1.00 0.00 C ATOM 1177 C PRO A 72 -10.452 -20.432 14.620 1.00 0.00 C ATOM 1178 O PRO A 72 -9.662 -20.893 13.796 1.00 0.00 O ATOM 1179 CB PRO A 72 -11.259 -18.814 12.881 1.00 0.00 C ATOM 1180 CG PRO A 72 -10.032 -18.041 12.542 1.00 0.00 C ATOM 1181 CD PRO A 72 -9.710 -17.214 13.758 1.00 0.00 C ATOM 0 HA PRO A 72 -12.095 -19.167 14.894 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.315 -19.741 12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.161 -18.245 12.655 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.207 -18.709 12.295 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.199 -17.406 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.634 -17.115 13.902 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.115 -16.205 13.675 1.00 0.00 H new ATOM 1189 N GLU A 73 -10.759 -21.053 15.753 1.00 0.00 N ATOM 1190 CA GLU A 73 -10.172 -22.342 16.102 1.00 0.00 C ATOM 1191 C GLU A 73 -10.971 -23.024 17.206 1.00 0.00 C ATOM 1192 O GLU A 73 -11.472 -22.368 18.120 1.00 0.00 O ATOM 1193 CB GLU A 73 -8.719 -22.161 16.546 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.736 -22.073 15.390 1.00 0.00 C ATOM 1195 CD GLU A 73 -6.420 -22.762 15.691 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -5.740 -22.349 16.654 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -6.068 -23.714 14.964 1.00 0.00 O ATOM 0 H GLU A 73 -11.411 -20.685 16.446 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.198 -22.976 15.216 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.642 -21.255 17.147 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.438 -22.995 17.189 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.183 -22.522 14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.548 -21.025 15.156 1.00 0.00 H new ATOM 1204 N ALA A 74 -11.088 -24.345 17.117 1.00 0.00 N ATOM 1205 CA ALA A 74 -11.827 -25.116 18.108 1.00 0.00 C ATOM 1206 C ALA A 74 -11.015 -25.286 19.388 1.00 0.00 C ATOM 1207 O ALA A 74 -9.838 -25.691 19.292 1.00 0.00 O ATOM 1208 CB ALA A 74 -12.211 -26.474 17.541 1.00 0.00 C ATOM 1209 OXT ALA A 74 -11.563 -25.010 20.477 1.00 0.00 O ATOM 0 H ALA A 74 -10.680 -24.904 16.368 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.736 -24.567 18.355 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.763 -27.039 18.292 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.836 -26.336 16.659 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.310 -27.021 17.265 1.00 0.00 H new TER 1215 ALA A 74