USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 4:sc= 0.237 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 32:sc= 0.255 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -176:sc= -2.04! (180deg=-2.16!) USER MOD Single : A 18 CYS SG : rot -170:sc= -0.873 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= 0.0869 (180deg=-0.417) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 38 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -84:sc= 0.119 USER MOD Single : A 49 HIS : no HE2:sc= -0.428 K(o=-0.43,f=-1.7) USER MOD Single : A 55 THR OG1 : rot 100:sc= -0.936 USER MOD Single : A 56 MET CE :methyl 137:sc= -11.7! (180deg=-15.4!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00631) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0724 USER MOD Single : A 69 LYS NZ :NH3+ -155:sc=-0.00851 (180deg=-0.481) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.256 5.250 17.904 1.00 0.00 N ATOM 2 CA MET A 1 12.287 4.151 17.659 1.00 0.00 C ATOM 3 C MET A 1 12.306 3.716 16.198 1.00 0.00 C ATOM 4 O MET A 1 12.575 2.556 15.887 1.00 0.00 O ATOM 5 CB MET A 1 10.889 4.636 18.049 1.00 0.00 C ATOM 6 CG MET A 1 9.806 3.588 17.854 1.00 0.00 C ATOM 7 SD MET A 1 9.386 2.732 19.385 1.00 0.00 S ATOM 8 CE MET A 1 9.973 1.080 19.020 1.00 0.00 C ATOM 0 H1 MET A 1 13.222 5.526 18.906 1.00 0.00 H new ATOM 0 H2 MET A 1 14.215 4.926 17.667 1.00 0.00 H new ATOM 0 H3 MET A 1 13.010 6.068 17.311 1.00 0.00 H new ATOM 0 HA MET A 1 12.566 3.287 18.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.899 4.946 19.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.641 5.517 17.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.912 4.065 17.452 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.139 2.860 17.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.784 0.430 19.874 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.449 0.693 18.146 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.044 1.111 18.817 1.00 0.00 H new ATOM 20 N SER A 2 12.018 4.655 15.303 1.00 0.00 N ATOM 21 CA SER A 2 12.002 4.370 13.872 1.00 0.00 C ATOM 22 C SER A 2 12.379 5.608 13.065 1.00 0.00 C ATOM 23 O SER A 2 13.479 5.694 12.519 1.00 0.00 O ATOM 24 CB SER A 2 10.621 3.870 13.447 1.00 0.00 C ATOM 25 OG SER A 2 10.360 2.580 13.971 1.00 0.00 O ATOM 0 H SER A 2 11.792 5.620 15.543 1.00 0.00 H new ATOM 0 HA SER A 2 12.740 3.592 13.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.857 4.567 13.792 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.560 3.843 12.359 1.00 0.00 H new ATOM 0 HG SER A 2 11.100 2.308 14.553 1.00 0.00 H new ATOM 31 N GLU A 3 11.459 6.564 12.995 1.00 0.00 N ATOM 32 CA GLU A 3 11.694 7.798 12.253 1.00 0.00 C ATOM 33 C GLU A 3 10.980 8.973 12.915 1.00 0.00 C ATOM 34 O GLU A 3 9.869 8.830 13.425 1.00 0.00 O ATOM 35 CB GLU A 3 11.223 7.644 10.807 1.00 0.00 C ATOM 36 CG GLU A 3 11.847 8.649 9.852 1.00 0.00 C ATOM 37 CD GLU A 3 12.411 7.997 8.604 1.00 0.00 C ATOM 38 OE1 GLU A 3 13.405 7.250 8.722 1.00 0.00 O ATOM 39 OE2 GLU A 3 11.860 8.235 7.509 1.00 0.00 O ATOM 0 H GLU A 3 10.544 6.509 13.443 1.00 0.00 H new ATOM 0 HA GLU A 3 12.765 8.000 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.456 6.636 10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.139 7.749 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.097 9.386 9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.642 9.188 10.367 1.00 0.00 H new ATOM 46 N LYS A 4 11.628 10.133 12.907 1.00 0.00 N ATOM 47 CA LYS A 4 11.059 11.333 13.511 1.00 0.00 C ATOM 48 C LYS A 4 9.763 11.741 12.810 1.00 0.00 C ATOM 49 O LYS A 4 8.711 11.836 13.443 1.00 0.00 O ATOM 50 CB LYS A 4 12.068 12.483 13.459 1.00 0.00 C ATOM 51 CG LYS A 4 12.415 13.048 14.829 1.00 0.00 C ATOM 52 CD LYS A 4 13.859 12.756 15.206 1.00 0.00 C ATOM 53 CE LYS A 4 14.026 12.630 16.712 1.00 0.00 C ATOM 54 NZ LYS A 4 15.447 12.784 17.128 1.00 0.00 N ATOM 0 H LYS A 4 12.548 10.268 12.489 1.00 0.00 H new ATOM 0 HA LYS A 4 10.828 11.108 14.552 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.981 12.133 12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.665 13.282 12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.248 14.125 14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.749 12.621 15.579 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.183 11.833 14.724 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.502 13.553 14.833 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.418 13.386 17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.656 11.658 17.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.518 12.692 18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.023 12.047 16.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.794 13.721 16.840 1.00 0.00 H new ATOM 68 N PRO A 5 9.824 11.995 11.492 1.00 0.00 N ATOM 69 CA PRO A 5 8.652 12.404 10.707 1.00 0.00 C ATOM 70 C PRO A 5 7.719 11.242 10.366 1.00 0.00 C ATOM 71 O PRO A 5 7.252 11.127 9.233 1.00 0.00 O ATOM 72 CB PRO A 5 9.278 12.972 9.434 1.00 0.00 C ATOM 73 CG PRO A 5 10.547 12.209 9.271 1.00 0.00 C ATOM 74 CD PRO A 5 11.042 11.917 10.663 1.00 0.00 C ATOM 0 HA PRO A 5 8.024 13.106 11.256 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.621 12.838 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.467 14.041 9.527 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.378 11.286 8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.281 12.788 8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.506 10.932 10.725 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.790 12.642 10.982 1.00 0.00 H new ATOM 82 N LEU A 6 7.439 10.392 11.351 1.00 0.00 N ATOM 83 CA LEU A 6 6.552 9.250 11.152 1.00 0.00 C ATOM 84 C LEU A 6 7.077 8.312 10.068 1.00 0.00 C ATOM 85 O LEU A 6 7.729 8.742 9.117 1.00 0.00 O ATOM 86 CB LEU A 6 5.146 9.732 10.782 1.00 0.00 C ATOM 87 CG LEU A 6 4.457 10.595 11.841 1.00 0.00 C ATOM 88 CD1 LEU A 6 4.459 9.892 13.190 1.00 0.00 C ATOM 89 CD2 LEU A 6 5.135 11.953 11.944 1.00 0.00 C ATOM 0 H LEU A 6 7.814 10.473 12.296 1.00 0.00 H new ATOM 0 HA LEU A 6 6.513 8.695 12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.206 10.301 9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.521 8.862 10.582 1.00 0.00 H new ATOM 0 HG LEU A 6 3.421 10.749 11.538 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.965 10.522 13.929 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.927 8.944 13.107 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.487 9.705 13.501 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.632 12.554 12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.180 11.818 12.223 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.079 12.462 10.982 1.00 0.00 H new ATOM 101 N THR A 7 6.781 7.024 10.219 1.00 0.00 N ATOM 102 CA THR A 7 7.212 6.016 9.258 1.00 0.00 C ATOM 103 C THR A 7 6.009 5.290 8.661 1.00 0.00 C ATOM 104 O THR A 7 4.863 5.576 9.009 1.00 0.00 O ATOM 105 CB THR A 7 8.151 5.009 9.926 1.00 0.00 C ATOM 106 OG1 THR A 7 7.989 5.031 11.333 1.00 0.00 O ATOM 107 CG2 THR A 7 9.611 5.267 9.628 1.00 0.00 C ATOM 0 H THR A 7 6.242 6.654 11.002 1.00 0.00 H new ATOM 0 HA THR A 7 7.748 6.520 8.454 1.00 0.00 H new ATOM 0 HB THR A 7 7.878 4.038 9.512 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.059 5.248 11.552 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.223 4.518 10.131 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.779 5.209 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.885 6.260 9.985 1.00 0.00 H new ATOM 115 N LYS A 8 6.279 4.350 7.759 1.00 0.00 N ATOM 116 CA LYS A 8 5.221 3.582 7.109 1.00 0.00 C ATOM 117 C LYS A 8 4.300 2.930 8.137 1.00 0.00 C ATOM 118 O LYS A 8 3.107 2.749 7.889 1.00 0.00 O ATOM 119 CB LYS A 8 5.826 2.511 6.201 1.00 0.00 C ATOM 120 CG LYS A 8 6.872 1.649 6.888 1.00 0.00 C ATOM 121 CD LYS A 8 7.091 0.340 6.146 1.00 0.00 C ATOM 122 CE LYS A 8 5.867 -0.559 6.221 1.00 0.00 C ATOM 123 NZ LYS A 8 6.191 -1.891 6.804 1.00 0.00 N ATOM 0 H LYS A 8 7.222 4.102 7.461 1.00 0.00 H new ATOM 0 HA LYS A 8 4.628 4.271 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.027 1.870 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.278 2.994 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.813 2.196 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.558 1.440 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.327 0.548 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.951 -0.179 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.098 -0.076 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.452 -0.691 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.330 -2.474 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.906 -2.363 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.563 -1.767 7.767 1.00 0.00 H new ATOM 137 N THR A 9 4.861 2.574 9.288 1.00 0.00 N ATOM 138 CA THR A 9 4.092 1.936 10.349 1.00 0.00 C ATOM 139 C THR A 9 3.238 2.950 11.108 1.00 0.00 C ATOM 140 O THR A 9 2.125 2.641 11.531 1.00 0.00 O ATOM 141 CB THR A 9 5.029 1.215 11.320 1.00 0.00 C ATOM 142 OG1 THR A 9 6.342 1.141 10.793 1.00 0.00 O ATOM 143 CG2 THR A 9 4.584 -0.194 11.638 1.00 0.00 C ATOM 0 H THR A 9 5.846 2.717 9.509 1.00 0.00 H new ATOM 0 HA THR A 9 3.424 1.211 9.885 1.00 0.00 H new ATOM 0 HB THR A 9 5.006 1.805 12.236 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.925 0.678 11.430 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.290 -0.651 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.594 -0.169 12.093 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.547 -0.780 10.720 1.00 0.00 H new ATOM 151 N ASP A 10 3.769 4.156 11.286 1.00 0.00 N ATOM 152 CA ASP A 10 3.054 5.207 12.006 1.00 0.00 C ATOM 153 C ASP A 10 1.675 5.455 11.403 1.00 0.00 C ATOM 154 O ASP A 10 0.674 5.481 12.117 1.00 0.00 O ATOM 155 CB ASP A 10 3.864 6.503 11.999 1.00 0.00 C ATOM 156 CG ASP A 10 4.937 6.520 13.070 1.00 0.00 C ATOM 157 OD1 ASP A 10 4.586 6.668 14.259 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.128 6.385 12.719 1.00 0.00 O ATOM 0 H ASP A 10 4.690 4.430 10.943 1.00 0.00 H new ATOM 0 HA ASP A 10 2.921 4.872 13.035 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.328 6.633 11.021 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.193 7.349 12.148 1.00 0.00 H new ATOM 163 N TYR A 11 1.628 5.641 10.089 1.00 0.00 N ATOM 164 CA TYR A 11 0.366 5.890 9.400 1.00 0.00 C ATOM 165 C TYR A 11 -0.452 4.608 9.282 1.00 0.00 C ATOM 166 O TYR A 11 -1.676 4.626 9.409 1.00 0.00 O ATOM 167 CB TYR A 11 0.623 6.474 8.011 1.00 0.00 C ATOM 168 CG TYR A 11 0.893 7.962 8.019 1.00 0.00 C ATOM 169 CD1 TYR A 11 1.945 8.493 8.754 1.00 0.00 C ATOM 170 CD2 TYR A 11 0.093 8.836 7.293 1.00 0.00 C ATOM 171 CE1 TYR A 11 2.194 9.852 8.765 1.00 0.00 C ATOM 172 CE2 TYR A 11 0.335 10.196 7.298 1.00 0.00 C ATOM 173 CZ TYR A 11 1.387 10.699 8.035 1.00 0.00 C ATOM 174 OH TYR A 11 1.631 12.053 8.044 1.00 0.00 O ATOM 0 H TYR A 11 2.446 5.624 9.480 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.203 6.610 9.988 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.474 5.961 7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.240 6.273 7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.579 7.832 9.327 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.732 8.445 6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.016 10.249 9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.296 10.862 6.728 1.00 0.00 H new ATOM 0 HH TYR A 11 0.973 12.508 7.478 1.00 0.00 H new ATOM 184 N LEU A 12 0.233 3.498 9.033 1.00 0.00 N ATOM 185 CA LEU A 12 -0.428 2.203 8.891 1.00 0.00 C ATOM 186 C LEU A 12 -1.278 1.873 10.119 1.00 0.00 C ATOM 187 O LEU A 12 -2.433 1.466 9.992 1.00 0.00 O ATOM 188 CB LEU A 12 0.616 1.103 8.664 1.00 0.00 C ATOM 189 CG LEU A 12 0.071 -0.330 8.606 1.00 0.00 C ATOM 190 CD1 LEU A 12 -0.165 -0.870 10.008 1.00 0.00 C ATOM 191 CD2 LEU A 12 -1.209 -0.390 7.785 1.00 0.00 C ATOM 0 H LEU A 12 1.247 3.467 8.925 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.091 2.257 8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.139 1.311 7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.355 1.159 9.463 1.00 0.00 H new ATOM 0 HG LEU A 12 0.816 -0.957 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.551 -1.887 9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.775 -0.872 10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.888 -0.238 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.576 -1.416 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.963 0.254 8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.006 -0.051 6.769 1.00 0.00 H new ATOM 203 N MET A 13 -0.703 2.050 11.306 1.00 0.00 N ATOM 204 CA MET A 13 -1.418 1.764 12.546 1.00 0.00 C ATOM 205 C MET A 13 -2.460 2.839 12.839 1.00 0.00 C ATOM 206 O MET A 13 -3.514 2.556 13.409 1.00 0.00 O ATOM 207 CB MET A 13 -0.439 1.646 13.716 1.00 0.00 C ATOM 208 CG MET A 13 0.484 2.844 13.866 1.00 0.00 C ATOM 209 SD MET A 13 0.461 3.544 15.529 1.00 0.00 S ATOM 210 CE MET A 13 -1.301 3.717 15.800 1.00 0.00 C ATOM 0 H MET A 13 0.251 2.388 11.435 1.00 0.00 H new ATOM 0 HA MET A 13 -1.934 0.812 12.422 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.004 1.517 14.639 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.165 0.748 13.583 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.502 2.545 13.617 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.193 3.612 13.150 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.475 4.204 16.759 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.734 4.321 15.002 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.767 2.732 15.803 1.00 0.00 H new ATOM 220 N ARG A 14 -2.162 4.073 12.443 1.00 0.00 N ATOM 221 CA ARG A 14 -3.080 5.186 12.662 1.00 0.00 C ATOM 222 C ARG A 14 -4.266 5.111 11.704 1.00 0.00 C ATOM 223 O ARG A 14 -5.335 5.655 11.979 1.00 0.00 O ATOM 224 CB ARG A 14 -2.351 6.521 12.488 1.00 0.00 C ATOM 225 CG ARG A 14 -2.661 7.531 13.581 1.00 0.00 C ATOM 226 CD ARG A 14 -1.408 8.267 14.031 1.00 0.00 C ATOM 227 NE ARG A 14 -1.720 9.399 14.900 1.00 0.00 N ATOM 228 CZ ARG A 14 -0.831 9.993 15.692 1.00 0.00 C ATOM 229 NH1 ARG A 14 0.425 9.567 15.729 1.00 0.00 N ATOM 230 NH2 ARG A 14 -1.199 11.018 16.449 1.00 0.00 N ATOM 0 H ARG A 14 -1.295 4.327 11.970 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.456 5.117 13.683 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.277 6.339 12.468 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.620 6.949 11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.395 8.249 13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.110 7.021 14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.751 7.575 14.559 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.862 8.621 13.157 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.676 9.755 14.900 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.714 8.780 15.148 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.102 10.027 16.338 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.163 11.350 16.424 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.518 11.474 17.056 1.00 0.00 H new ATOM 244 N LEU A 15 -4.069 4.436 10.575 1.00 0.00 N ATOM 245 CA LEU A 15 -5.120 4.293 9.575 1.00 0.00 C ATOM 246 C LEU A 15 -6.196 3.321 10.050 1.00 0.00 C ATOM 247 O LEU A 15 -7.390 3.595 9.929 1.00 0.00 O ATOM 248 CB LEU A 15 -4.526 3.807 8.252 1.00 0.00 C ATOM 249 CG LEU A 15 -5.376 4.100 7.014 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.549 4.805 5.949 1.00 0.00 C ATOM 251 CD2 LEU A 15 -5.975 2.813 6.460 1.00 0.00 C ATOM 0 H LEU A 15 -3.190 3.980 10.331 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.581 5.269 9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.547 4.268 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.365 2.731 8.317 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.191 4.761 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.172 5.004 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.170 5.746 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.712 4.170 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.576 3.041 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.173 2.128 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.604 2.348 7.219 1.00 0.00 H new ATOM 263 N ARG A 16 -5.767 2.183 10.587 1.00 0.00 N ATOM 264 CA ARG A 16 -6.695 1.169 11.077 1.00 0.00 C ATOM 265 C ARG A 16 -7.522 1.688 12.253 1.00 0.00 C ATOM 266 O ARG A 16 -8.553 1.111 12.596 1.00 0.00 O ATOM 267 CB ARG A 16 -5.934 -0.089 11.494 1.00 0.00 C ATOM 268 CG ARG A 16 -6.785 -1.349 11.476 1.00 0.00 C ATOM 269 CD ARG A 16 -6.534 -2.212 12.703 1.00 0.00 C ATOM 270 NE ARG A 16 -5.109 -2.458 12.919 1.00 0.00 N ATOM 271 CZ ARG A 16 -4.633 -3.453 13.664 1.00 0.00 C ATOM 272 NH1 ARG A 16 -5.462 -4.299 14.264 1.00 0.00 N ATOM 273 NH2 ARG A 16 -3.323 -3.604 13.809 1.00 0.00 N ATOM 0 H ARG A 16 -4.782 1.940 10.694 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.378 0.926 10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.082 -0.226 10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.533 0.055 12.498 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.839 -1.076 11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.567 -1.923 10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.955 -1.723 13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.053 -3.164 12.589 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.440 -1.830 12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.470 -4.189 14.155 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.091 -5.059 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.681 -2.958 13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.958 -4.366 14.380 1.00 0.00 H new ATOM 287 N ARG A 17 -7.065 2.775 12.869 1.00 0.00 N ATOM 288 CA ARG A 17 -7.767 3.361 14.009 1.00 0.00 C ATOM 289 C ARG A 17 -9.227 3.651 13.671 1.00 0.00 C ATOM 290 O ARG A 17 -10.085 3.675 14.554 1.00 0.00 O ATOM 291 CB ARG A 17 -7.074 4.647 14.458 1.00 0.00 C ATOM 292 CG ARG A 17 -5.819 4.407 15.282 1.00 0.00 C ATOM 293 CD ARG A 17 -5.517 5.584 16.195 1.00 0.00 C ATOM 294 NE ARG A 17 -5.123 5.152 17.534 1.00 0.00 N ATOM 295 CZ ARG A 17 -5.980 4.734 18.461 1.00 0.00 C ATOM 296 NH1 ARG A 17 -7.281 4.690 18.200 1.00 0.00 N ATOM 297 NH2 ARG A 17 -5.537 4.358 19.652 1.00 0.00 N ATOM 0 H ARG A 17 -6.214 3.268 12.599 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.741 2.636 14.823 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.814 5.236 13.578 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.775 5.242 15.044 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.943 3.504 15.880 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.973 4.235 14.616 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.719 6.186 15.759 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.397 6.224 16.265 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.131 5.172 17.772 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.628 4.978 17.285 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.934 4.369 18.915 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.538 4.389 19.858 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.195 4.037 20.363 1.00 0.00 H new ATOM 311 N CYS A 18 -9.506 3.872 12.389 1.00 0.00 N ATOM 312 CA CYS A 18 -10.863 4.162 11.940 1.00 0.00 C ATOM 313 C CYS A 18 -11.824 3.050 12.352 1.00 0.00 C ATOM 314 O CYS A 18 -11.400 1.960 12.736 1.00 0.00 O ATOM 315 CB CYS A 18 -10.895 4.342 10.422 1.00 0.00 C ATOM 316 SG CYS A 18 -12.027 5.632 9.855 1.00 0.00 S ATOM 0 H CYS A 18 -8.810 3.856 11.644 1.00 0.00 H new ATOM 0 HA CYS A 18 -11.184 5.089 12.415 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.889 4.577 10.074 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.179 3.396 9.961 1.00 0.00 H new ATOM 0 HG CYS A 18 -12.143 5.570 8.562 1.00 0.00 H new ATOM 322 N GLN A 19 -13.120 3.335 12.269 1.00 0.00 N ATOM 323 CA GLN A 19 -14.141 2.359 12.634 1.00 0.00 C ATOM 324 C GLN A 19 -14.332 1.328 11.527 1.00 0.00 C ATOM 325 O GLN A 19 -14.490 0.136 11.794 1.00 0.00 O ATOM 326 CB GLN A 19 -15.467 3.063 12.925 1.00 0.00 C ATOM 327 CG GLN A 19 -15.350 4.185 13.944 1.00 0.00 C ATOM 328 CD GLN A 19 -16.566 4.286 14.843 1.00 0.00 C ATOM 329 OE1 GLN A 19 -17.667 4.594 14.385 1.00 0.00 O ATOM 330 NE2 GLN A 19 -16.373 4.028 16.131 1.00 0.00 N ATOM 0 H GLN A 19 -13.488 4.232 11.953 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.807 1.841 13.533 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.865 3.468 11.995 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.187 2.329 13.287 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.463 4.024 14.556 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.209 5.131 13.422 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.443 3.776 16.467 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.154 4.081 16.784 1.00 0.00 H new ATOM 339 N THR A 20 -14.316 1.795 10.284 1.00 0.00 N ATOM 340 CA THR A 20 -14.488 0.915 9.135 1.00 0.00 C ATOM 341 C THR A 20 -13.739 1.452 7.918 1.00 0.00 C ATOM 342 O THR A 20 -13.322 2.609 7.897 1.00 0.00 O ATOM 343 CB THR A 20 -15.973 0.754 8.806 1.00 0.00 C ATOM 344 OG1 THR A 20 -16.166 -0.267 7.842 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.611 2.018 8.268 1.00 0.00 C ATOM 0 H THR A 20 -14.186 2.778 10.046 1.00 0.00 H new ATOM 0 HA THR A 20 -14.073 -0.060 9.392 1.00 0.00 H new ATOM 0 HB THR A 20 -16.450 0.501 9.753 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.122 -0.356 7.646 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.664 1.832 8.056 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.525 2.813 9.009 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.104 2.320 7.351 1.00 0.00 H new ATOM 353 N ILE A 21 -13.576 0.605 6.909 1.00 0.00 N ATOM 354 CA ILE A 21 -12.881 0.995 5.688 1.00 0.00 C ATOM 355 C ILE A 21 -13.756 1.908 4.831 1.00 0.00 C ATOM 356 O ILE A 21 -13.250 2.759 4.100 1.00 0.00 O ATOM 357 CB ILE A 21 -12.460 -0.243 4.862 1.00 0.00 C ATOM 358 CG1 ILE A 21 -11.388 -1.039 5.609 1.00 0.00 C ATOM 359 CG2 ILE A 21 -11.950 0.170 3.487 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.885 -1.682 6.885 1.00 0.00 C ATOM 0 H ILE A 21 -13.916 -0.357 6.912 1.00 0.00 H new ATOM 0 HA ILE A 21 -11.984 1.538 5.985 1.00 0.00 H new ATOM 0 HB ILE A 21 -13.337 -0.876 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.999 -1.815 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.556 -0.376 5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.660 -0.718 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.738 0.698 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.087 0.825 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.069 -2.229 7.359 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.247 -0.910 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.697 -2.371 6.653 1.00 0.00 H new ATOM 372 N ASP A 22 -15.070 1.726 4.925 1.00 0.00 N ATOM 373 CA ASP A 22 -16.013 2.534 4.157 1.00 0.00 C ATOM 374 C ASP A 22 -15.777 4.023 4.397 1.00 0.00 C ATOM 375 O ASP A 22 -15.656 4.803 3.452 1.00 0.00 O ATOM 376 CB ASP A 22 -17.452 2.167 4.525 1.00 0.00 C ATOM 377 CG ASP A 22 -18.036 1.118 3.598 1.00 0.00 C ATOM 378 OD1 ASP A 22 -18.623 1.500 2.565 1.00 0.00 O ATOM 379 OD2 ASP A 22 -17.908 -0.086 3.908 1.00 0.00 O ATOM 0 H ASP A 22 -15.506 1.026 5.525 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.853 2.325 3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.479 1.798 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.072 3.063 4.492 1.00 0.00 H new ATOM 384 N THR A 23 -15.708 4.410 5.667 1.00 0.00 N ATOM 385 CA THR A 23 -15.479 5.799 6.031 1.00 0.00 C ATOM 386 C THR A 23 -14.011 6.164 5.821 1.00 0.00 C ATOM 387 O THR A 23 -13.686 7.301 5.478 1.00 0.00 O ATOM 388 CB THR A 23 -15.902 6.033 7.487 1.00 0.00 C ATOM 389 OG1 THR A 23 -17.246 6.475 7.551 1.00 0.00 O ATOM 390 CG2 THR A 23 -15.055 7.050 8.222 1.00 0.00 C ATOM 0 H THR A 23 -15.808 3.778 6.461 1.00 0.00 H new ATOM 0 HA THR A 23 -16.082 6.443 5.390 1.00 0.00 H new ATOM 0 HB THR A 23 -15.770 5.067 7.973 1.00 0.00 H new ATOM 0 HG1 THR A 23 -17.499 6.618 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.420 7.157 9.244 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.018 6.715 8.240 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.117 8.012 7.712 1.00 0.00 H new ATOM 398 N LEU A 24 -13.132 5.189 6.023 1.00 0.00 N ATOM 399 CA LEU A 24 -11.701 5.402 5.849 1.00 0.00 C ATOM 400 C LEU A 24 -11.377 5.666 4.386 1.00 0.00 C ATOM 401 O LEU A 24 -10.503 6.468 4.068 1.00 0.00 O ATOM 402 CB LEU A 24 -10.917 4.184 6.341 1.00 0.00 C ATOM 403 CG LEU A 24 -9.709 4.513 7.214 1.00 0.00 C ATOM 404 CD1 LEU A 24 -9.110 3.242 7.798 1.00 0.00 C ATOM 405 CD2 LEU A 24 -8.666 5.283 6.415 1.00 0.00 C ATOM 0 H LEU A 24 -13.386 4.243 6.308 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.411 6.272 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.591 3.539 6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.579 3.613 5.476 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.041 5.144 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.250 3.496 8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.858 2.734 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.793 2.584 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.812 5.509 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.337 4.679 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.101 6.213 6.049 1.00 0.00 H new ATOM 417 N GLU A 25 -12.093 4.991 3.501 1.00 0.00 N ATOM 418 CA GLU A 25 -11.879 5.157 2.068 1.00 0.00 C ATOM 419 C GLU A 25 -12.053 6.619 1.675 1.00 0.00 C ATOM 420 O GLU A 25 -11.388 7.115 0.762 1.00 0.00 O ATOM 421 CB GLU A 25 -12.854 4.280 1.280 1.00 0.00 C ATOM 422 CG GLU A 25 -12.561 4.235 -0.211 1.00 0.00 C ATOM 423 CD GLU A 25 -11.806 2.985 -0.618 1.00 0.00 C ATOM 424 OE1 GLU A 25 -11.960 1.949 0.063 1.00 0.00 O ATOM 425 OE2 GLU A 25 -11.058 3.042 -1.617 1.00 0.00 O ATOM 0 H GLU A 25 -12.825 4.325 3.746 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.861 4.848 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.822 3.266 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.868 4.651 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.499 4.285 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.979 5.114 -0.490 1.00 0.00 H new ATOM 432 N ARG A 26 -12.934 7.310 2.389 1.00 0.00 N ATOM 433 CA ARG A 26 -13.180 8.720 2.135 1.00 0.00 C ATOM 434 C ARG A 26 -11.929 9.535 2.446 1.00 0.00 C ATOM 435 O ARG A 26 -11.636 10.524 1.773 1.00 0.00 O ATOM 436 CB ARG A 26 -14.358 9.214 2.978 1.00 0.00 C ATOM 437 CG ARG A 26 -14.637 10.701 2.826 1.00 0.00 C ATOM 438 CD ARG A 26 -16.090 11.028 3.130 1.00 0.00 C ATOM 439 NE ARG A 26 -16.252 12.390 3.631 1.00 0.00 N ATOM 440 CZ ARG A 26 -17.328 12.814 4.291 1.00 0.00 C ATOM 441 NH1 ARG A 26 -18.335 11.986 4.533 1.00 0.00 N ATOM 442 NH2 ARG A 26 -17.394 14.070 4.711 1.00 0.00 N ATOM 0 H ARG A 26 -13.489 6.915 3.148 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.429 8.848 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.252 8.655 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.159 8.996 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.988 11.265 3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.397 11.016 1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.687 10.901 2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.474 10.323 3.867 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.497 13.055 3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.288 11.019 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.157 12.316 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.621 14.710 4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.218 14.396 5.217 1.00 0.00 H new ATOM 456 N VAL A 27 -11.188 9.108 3.468 1.00 0.00 N ATOM 457 CA VAL A 27 -9.968 9.798 3.856 1.00 0.00 C ATOM 458 C VAL A 27 -8.806 9.413 2.944 1.00 0.00 C ATOM 459 O VAL A 27 -7.876 10.194 2.749 1.00 0.00 O ATOM 460 CB VAL A 27 -9.593 9.531 5.335 1.00 0.00 C ATOM 461 CG1 VAL A 27 -9.053 8.120 5.541 1.00 0.00 C ATOM 462 CG2 VAL A 27 -8.589 10.565 5.816 1.00 0.00 C ATOM 0 H VAL A 27 -11.413 8.292 4.037 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.163 10.865 3.748 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.504 9.616 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.803 7.976 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.810 7.394 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.159 7.980 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.333 10.367 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.689 10.510 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.024 11.561 5.733 1.00 0.00 H new ATOM 472 N ILE A 28 -8.869 8.208 2.377 1.00 0.00 N ATOM 473 CA ILE A 28 -7.821 7.738 1.477 1.00 0.00 C ATOM 474 C ILE A 28 -7.669 8.693 0.302 1.00 0.00 C ATOM 475 O ILE A 28 -6.558 8.986 -0.140 1.00 0.00 O ATOM 476 CB ILE A 28 -8.114 6.320 0.942 1.00 0.00 C ATOM 477 CG1 ILE A 28 -8.334 5.342 2.098 1.00 0.00 C ATOM 478 CG2 ILE A 28 -6.977 5.839 0.048 1.00 0.00 C ATOM 479 CD1 ILE A 28 -7.205 5.328 3.105 1.00 0.00 C ATOM 0 H ILE A 28 -9.630 7.545 2.525 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.896 7.702 2.052 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.027 6.362 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.262 5.600 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.461 4.338 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.202 4.838 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.866 6.519 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.049 5.816 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.431 4.612 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.278 5.040 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.091 6.322 3.538 1.00 0.00 H new ATOM 491 N GLU A 29 -8.799 9.181 -0.199 1.00 0.00 N ATOM 492 CA GLU A 29 -8.795 10.112 -1.319 1.00 0.00 C ATOM 493 C GLU A 29 -8.338 11.494 -0.865 1.00 0.00 C ATOM 494 O GLU A 29 -7.549 12.152 -1.544 1.00 0.00 O ATOM 495 CB GLU A 29 -10.190 10.196 -1.944 1.00 0.00 C ATOM 496 CG GLU A 29 -10.358 9.320 -3.175 1.00 0.00 C ATOM 497 CD GLU A 29 -9.986 7.874 -2.917 1.00 0.00 C ATOM 498 OE1 GLU A 29 -10.204 7.398 -1.783 1.00 0.00 O ATOM 499 OE2 GLU A 29 -9.475 7.217 -3.849 1.00 0.00 O ATOM 0 H GLU A 29 -9.727 8.947 0.153 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.095 9.745 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.931 9.907 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.396 11.232 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.393 9.370 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.739 9.712 -3.982 1.00 0.00 H new ATOM 506 N LYS A 30 -8.841 11.928 0.286 1.00 0.00 N ATOM 507 CA LYS A 30 -8.486 13.233 0.832 1.00 0.00 C ATOM 508 C LYS A 30 -7.001 13.298 1.179 1.00 0.00 C ATOM 509 O LYS A 30 -6.315 14.257 0.826 1.00 0.00 O ATOM 510 CB LYS A 30 -9.324 13.530 2.076 1.00 0.00 C ATOM 511 CG LYS A 30 -9.531 15.016 2.329 1.00 0.00 C ATOM 512 CD LYS A 30 -10.235 15.262 3.654 1.00 0.00 C ATOM 513 CE LYS A 30 -11.251 16.388 3.544 1.00 0.00 C ATOM 514 NZ LYS A 30 -12.110 16.483 4.756 1.00 0.00 N ATOM 0 H LYS A 30 -9.496 11.395 0.859 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.693 13.985 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.296 13.048 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.839 13.086 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.567 15.524 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.119 15.446 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.736 14.349 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.498 15.509 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.730 17.333 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.878 16.227 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.789 17.263 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.627 15.590 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.515 16.663 5.590 1.00 0.00 H new ATOM 528 N ASN A 31 -6.511 12.275 1.872 1.00 0.00 N ATOM 529 CA ASN A 31 -5.106 12.222 2.268 1.00 0.00 C ATOM 530 C ASN A 31 -4.199 12.078 1.050 1.00 0.00 C ATOM 531 O ASN A 31 -3.070 12.567 1.045 1.00 0.00 O ATOM 532 CB ASN A 31 -4.870 11.060 3.239 1.00 0.00 C ATOM 533 CG ASN A 31 -4.499 11.537 4.630 1.00 0.00 C ATOM 534 OD1 ASN A 31 -5.343 12.034 5.374 1.00 0.00 O ATOM 535 ND2 ASN A 31 -3.228 11.388 4.987 1.00 0.00 N ATOM 0 H ASN A 31 -7.064 11.472 2.171 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.861 13.159 2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.770 10.448 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.075 10.422 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.919 11.691 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.561 10.970 4.338 1.00 0.00 H new ATOM 542 N LYS A 32 -4.698 11.403 0.021 1.00 0.00 N ATOM 543 CA LYS A 32 -3.929 11.196 -1.202 1.00 0.00 C ATOM 544 C LYS A 32 -3.524 12.529 -1.824 1.00 0.00 C ATOM 545 O LYS A 32 -2.406 12.683 -2.314 1.00 0.00 O ATOM 546 CB LYS A 32 -4.742 10.376 -2.207 1.00 0.00 C ATOM 547 CG LYS A 32 -4.354 8.907 -2.248 1.00 0.00 C ATOM 548 CD LYS A 32 -4.785 8.253 -3.552 1.00 0.00 C ATOM 549 CE LYS A 32 -4.208 6.853 -3.690 1.00 0.00 C ATOM 550 NZ LYS A 32 -3.004 6.832 -4.564 1.00 0.00 N ATOM 0 H LYS A 32 -5.630 10.990 0.008 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.023 10.648 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.800 10.457 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.615 10.805 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.275 8.811 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.813 8.385 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.873 8.205 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.460 8.866 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.947 6.469 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.966 6.187 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.352 6.090 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.290 6.636 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.528 7.755 -4.521 1.00 0.00 H new ATOM 564 N TYR A 33 -4.442 13.490 -1.801 1.00 0.00 N ATOM 565 CA TYR A 33 -4.179 14.810 -2.365 1.00 0.00 C ATOM 566 C TYR A 33 -3.796 15.818 -1.279 1.00 0.00 C ATOM 567 O TYR A 33 -3.541 16.986 -1.572 1.00 0.00 O ATOM 568 CB TYR A 33 -5.407 15.311 -3.128 1.00 0.00 C ATOM 569 CG TYR A 33 -5.070 16.041 -4.409 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.354 15.413 -5.420 1.00 0.00 C ATOM 571 CD2 TYR A 33 -5.467 17.358 -4.606 1.00 0.00 C ATOM 572 CE1 TYR A 33 -4.044 16.076 -6.592 1.00 0.00 C ATOM 573 CE2 TYR A 33 -5.161 18.027 -5.775 1.00 0.00 C ATOM 574 CZ TYR A 33 -4.450 17.383 -6.765 1.00 0.00 C ATOM 575 OH TYR A 33 -4.143 18.047 -7.930 1.00 0.00 O ATOM 0 H TYR A 33 -5.373 13.380 -1.399 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.337 14.716 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.050 14.462 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.980 15.976 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.034 14.390 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.024 17.867 -3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.487 15.573 -7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.477 19.050 -5.913 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.503 18.958 -7.892 1.00 0.00 H new ATOM 585 N GLU A 34 -3.760 15.366 -0.026 1.00 0.00 N ATOM 586 CA GLU A 34 -3.412 16.241 1.088 1.00 0.00 C ATOM 587 C GLU A 34 -1.903 16.448 1.177 1.00 0.00 C ATOM 588 O GLU A 34 -1.404 17.545 0.930 1.00 0.00 O ATOM 589 CB GLU A 34 -3.937 15.664 2.404 1.00 0.00 C ATOM 590 CG GLU A 34 -4.403 16.723 3.389 1.00 0.00 C ATOM 591 CD GLU A 34 -5.176 16.135 4.553 1.00 0.00 C ATOM 592 OE1 GLU A 34 -6.121 15.357 4.306 1.00 0.00 O ATOM 593 OE2 GLU A 34 -4.836 16.453 5.712 1.00 0.00 O ATOM 0 H GLU A 34 -3.967 14.403 0.240 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.881 17.209 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.766 14.989 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.152 15.068 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.538 17.266 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.031 17.447 2.869 1.00 0.00 H new ATOM 600 N LEU A 35 -1.181 15.391 1.539 1.00 0.00 N ATOM 601 CA LEU A 35 0.270 15.470 1.666 1.00 0.00 C ATOM 602 C LEU A 35 0.948 15.553 0.306 1.00 0.00 C ATOM 603 O LEU A 35 0.341 15.957 -0.686 1.00 0.00 O ATOM 604 CB LEU A 35 0.818 14.272 2.464 1.00 0.00 C ATOM 605 CG LEU A 35 0.971 12.926 1.723 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.457 11.800 2.596 1.00 0.00 C ATOM 607 CD2 LEU A 35 0.259 12.899 0.381 1.00 0.00 C ATOM 0 H LEU A 35 -1.575 14.474 1.749 1.00 0.00 H new ATOM 0 HA LEU A 35 0.498 16.386 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.795 14.551 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.163 14.111 3.320 1.00 0.00 H new ATOM 0 HG LEU A 35 2.034 12.796 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.567 10.852 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.029 11.768 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.595 11.968 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.405 11.926 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.806 13.073 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.667 13.678 -0.263 1.00 0.00 H new ATOM 619 N SER A 36 2.210 15.152 0.275 1.00 0.00 N ATOM 620 CA SER A 36 2.993 15.155 -0.948 1.00 0.00 C ATOM 621 C SER A 36 3.437 13.740 -1.288 1.00 0.00 C ATOM 622 O SER A 36 3.108 12.788 -0.580 1.00 0.00 O ATOM 623 CB SER A 36 4.212 16.067 -0.799 1.00 0.00 C ATOM 624 OG SER A 36 4.935 16.153 -2.016 1.00 0.00 O ATOM 0 H SER A 36 2.717 14.817 1.094 1.00 0.00 H new ATOM 0 HA SER A 36 2.371 15.535 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.891 17.062 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.862 15.685 -0.012 1.00 0.00 H new ATOM 0 HG SER A 36 5.708 16.743 -1.896 1.00 0.00 H new ATOM 630 N ASP A 37 4.193 13.607 -2.365 1.00 0.00 N ATOM 631 CA ASP A 37 4.690 12.306 -2.787 1.00 0.00 C ATOM 632 C ASP A 37 5.552 11.671 -1.698 1.00 0.00 C ATOM 633 O ASP A 37 5.702 10.450 -1.649 1.00 0.00 O ATOM 634 CB ASP A 37 5.497 12.440 -4.079 1.00 0.00 C ATOM 635 CG ASP A 37 6.565 13.512 -3.984 1.00 0.00 C ATOM 636 OD1 ASP A 37 7.228 13.600 -2.929 1.00 0.00 O ATOM 637 OD2 ASP A 37 6.740 14.266 -4.965 1.00 0.00 O ATOM 0 H ASP A 37 4.476 14.383 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 37 3.832 11.659 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.965 11.484 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.823 12.674 -4.903 1.00 0.00 H new ATOM 642 N ASN A 38 6.136 12.505 -0.839 1.00 0.00 N ATOM 643 CA ASN A 38 7.003 12.014 0.227 1.00 0.00 C ATOM 644 C ASN A 38 6.225 11.323 1.345 1.00 0.00 C ATOM 645 O ASN A 38 6.581 10.219 1.757 1.00 0.00 O ATOM 646 CB ASN A 38 7.826 13.166 0.808 1.00 0.00 C ATOM 647 CG ASN A 38 9.108 12.688 1.461 1.00 0.00 C ATOM 648 OD1 ASN A 38 10.203 12.919 0.948 1.00 0.00 O ATOM 649 ND2 ASN A 38 8.977 12.019 2.601 1.00 0.00 N ATOM 0 H ASN A 38 6.025 13.519 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 38 7.664 11.270 -0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.067 13.873 0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.226 13.704 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.804 11.674 3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.049 11.851 2.990 1.00 0.00 H new ATOM 656 N GLU A 39 5.161 11.957 1.833 1.00 0.00 N ATOM 657 CA GLU A 39 4.360 11.359 2.895 1.00 0.00 C ATOM 658 C GLU A 39 3.410 10.316 2.318 1.00 0.00 C ATOM 659 O GLU A 39 3.060 9.342 2.983 1.00 0.00 O ATOM 660 CB GLU A 39 3.586 12.424 3.682 1.00 0.00 C ATOM 661 CG GLU A 39 4.045 13.848 3.418 1.00 0.00 C ATOM 662 CD GLU A 39 3.600 14.816 4.498 1.00 0.00 C ATOM 663 OE1 GLU A 39 3.705 14.463 5.691 1.00 0.00 O ATOM 664 OE2 GLU A 39 3.147 15.927 4.150 1.00 0.00 O ATOM 0 H GLU A 39 4.838 12.871 1.515 1.00 0.00 H new ATOM 0 HA GLU A 39 5.039 10.866 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.527 12.344 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.683 12.214 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.132 13.867 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.654 14.179 2.456 1.00 0.00 H new ATOM 671 N LEU A 40 3.000 10.531 1.070 1.00 0.00 N ATOM 672 CA LEU A 40 2.094 9.613 0.392 1.00 0.00 C ATOM 673 C LEU A 40 2.679 8.210 0.350 1.00 0.00 C ATOM 674 O LEU A 40 1.948 7.223 0.420 1.00 0.00 O ATOM 675 CB LEU A 40 1.800 10.104 -1.022 1.00 0.00 C ATOM 676 CG LEU A 40 0.855 9.215 -1.835 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.169 10.063 -2.574 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.643 8.353 -2.811 1.00 0.00 C ATOM 0 H LEU A 40 3.282 11.335 0.509 1.00 0.00 H new ATOM 0 HA LEU A 40 1.160 9.579 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.370 11.104 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.743 10.195 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 40 0.323 8.556 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.833 9.415 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.754 10.636 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.344 10.746 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.956 7.727 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.201 8.994 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.337 7.720 -2.259 1.00 0.00 H new ATOM 690 N ALA A 41 4.003 8.123 0.258 1.00 0.00 N ATOM 691 CA ALA A 41 4.670 6.830 0.236 1.00 0.00 C ATOM 692 C ALA A 41 4.271 6.041 1.475 1.00 0.00 C ATOM 693 O ALA A 41 4.097 4.823 1.429 1.00 0.00 O ATOM 694 CB ALA A 41 6.179 7.007 0.173 1.00 0.00 C ATOM 0 H ALA A 41 4.629 8.926 0.198 1.00 0.00 H new ATOM 0 HA ALA A 41 4.363 6.280 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.660 6.029 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.444 7.556 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.517 7.563 1.047 1.00 0.00 H new ATOM 700 N VAL A 42 4.101 6.766 2.576 1.00 0.00 N ATOM 701 CA VAL A 42 3.689 6.171 3.834 1.00 0.00 C ATOM 702 C VAL A 42 2.194 5.865 3.806 1.00 0.00 C ATOM 703 O VAL A 42 1.733 4.915 4.438 1.00 0.00 O ATOM 704 CB VAL A 42 3.999 7.105 5.022 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.579 6.469 6.342 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.478 7.463 5.043 1.00 0.00 C ATOM 0 H VAL A 42 4.245 7.775 2.618 1.00 0.00 H new ATOM 0 HA VAL A 42 4.251 5.246 3.965 1.00 0.00 H new ATOM 0 HB VAL A 42 3.423 8.021 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.809 7.149 7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.508 6.270 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.120 5.533 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.681 8.122 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.071 6.554 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.743 7.970 4.115 1.00 0.00 H new ATOM 716 N PHE A 43 1.440 6.679 3.064 1.00 0.00 N ATOM 717 CA PHE A 43 0.000 6.492 2.954 1.00 0.00 C ATOM 718 C PHE A 43 -0.333 5.324 2.030 1.00 0.00 C ATOM 719 O PHE A 43 -1.230 4.530 2.314 1.00 0.00 O ATOM 720 CB PHE A 43 -0.660 7.770 2.437 1.00 0.00 C ATOM 721 CG PHE A 43 -2.115 7.877 2.784 1.00 0.00 C ATOM 722 CD1 PHE A 43 -2.527 7.890 4.107 1.00 0.00 C ATOM 723 CD2 PHE A 43 -3.072 7.963 1.786 1.00 0.00 C ATOM 724 CE1 PHE A 43 -3.868 7.988 4.428 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.413 8.062 2.100 1.00 0.00 C ATOM 726 CZ PHE A 43 -4.812 8.074 3.423 1.00 0.00 C ATOM 0 H PHE A 43 1.805 7.470 2.534 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.388 6.264 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.133 8.632 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.549 7.813 1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.792 7.823 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.766 7.952 0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.177 7.997 5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.149 8.130 1.313 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.860 8.151 3.671 1.00 0.00 H new ATOM 736 N TYR A 44 0.395 5.225 0.923 1.00 0.00 N ATOM 737 CA TYR A 44 0.178 4.156 -0.047 1.00 0.00 C ATOM 738 C TYR A 44 0.447 2.791 0.578 1.00 0.00 C ATOM 739 O TYR A 44 -0.356 1.868 0.444 1.00 0.00 O ATOM 740 CB TYR A 44 1.078 4.357 -1.267 1.00 0.00 C ATOM 741 CG TYR A 44 0.514 3.767 -2.540 1.00 0.00 C ATOM 742 CD1 TYR A 44 -0.428 4.460 -3.292 1.00 0.00 C ATOM 743 CD2 TYR A 44 0.925 2.519 -2.992 1.00 0.00 C ATOM 744 CE1 TYR A 44 -0.945 3.924 -4.457 1.00 0.00 C ATOM 745 CE2 TYR A 44 0.413 1.977 -4.154 1.00 0.00 C ATOM 746 CZ TYR A 44 -0.521 2.683 -4.884 1.00 0.00 C ATOM 747 OH TYR A 44 -1.033 2.147 -6.042 1.00 0.00 O ATOM 0 H TYR A 44 1.142 5.873 0.674 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.865 4.192 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.244 5.424 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.051 3.908 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.761 5.432 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.657 1.964 -2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.677 4.474 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.742 1.005 -4.490 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.630 1.268 -6.202 1.00 0.00 H new ATOM 757 N SER A 45 1.581 2.670 1.259 1.00 0.00 N ATOM 758 CA SER A 45 1.955 1.417 1.903 1.00 0.00 C ATOM 759 C SER A 45 0.913 1.004 2.936 1.00 0.00 C ATOM 760 O SER A 45 0.633 -0.182 3.111 1.00 0.00 O ATOM 761 CB SER A 45 3.325 1.552 2.571 1.00 0.00 C ATOM 762 OG SER A 45 3.331 2.608 3.517 1.00 0.00 O ATOM 0 H SER A 45 2.257 3.424 1.379 1.00 0.00 H new ATOM 0 HA SER A 45 2.006 0.645 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.586 0.616 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.086 1.735 1.813 1.00 0.00 H new ATOM 0 HG SER A 45 3.497 3.458 3.058 1.00 0.00 H new ATOM 768 N ALA A 46 0.339 1.991 3.618 1.00 0.00 N ATOM 769 CA ALA A 46 -0.672 1.729 4.633 1.00 0.00 C ATOM 770 C ALA A 46 -2.022 1.411 3.999 1.00 0.00 C ATOM 771 O ALA A 46 -2.825 0.667 4.564 1.00 0.00 O ATOM 772 CB ALA A 46 -0.797 2.920 5.572 1.00 0.00 C ATOM 0 H ALA A 46 0.558 2.978 3.485 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.356 0.857 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.556 2.711 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.160 3.100 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.085 3.804 5.003 1.00 0.00 H new ATOM 778 N ALA A 47 -2.268 1.978 2.822 1.00 0.00 N ATOM 779 CA ALA A 47 -3.522 1.755 2.113 1.00 0.00 C ATOM 780 C ALA A 47 -3.546 0.379 1.454 1.00 0.00 C ATOM 781 O ALA A 47 -4.481 -0.397 1.649 1.00 0.00 O ATOM 782 CB ALA A 47 -3.740 2.843 1.073 1.00 0.00 C ATOM 0 H ALA A 47 -1.615 2.595 2.339 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.333 1.794 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.680 2.664 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.777 3.815 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.919 2.831 0.356 1.00 0.00 H new ATOM 788 N ASP A 48 -2.513 0.084 0.672 1.00 0.00 N ATOM 789 CA ASP A 48 -2.416 -1.198 -0.018 1.00 0.00 C ATOM 790 C ASP A 48 -2.435 -2.356 0.975 1.00 0.00 C ATOM 791 O ASP A 48 -3.125 -3.353 0.767 1.00 0.00 O ATOM 792 CB ASP A 48 -1.141 -1.252 -0.860 1.00 0.00 C ATOM 793 CG ASP A 48 -1.381 -0.851 -2.303 1.00 0.00 C ATOM 794 OD1 ASP A 48 -1.912 0.257 -2.530 1.00 0.00 O ATOM 795 OD2 ASP A 48 -1.040 -1.645 -3.204 1.00 0.00 O ATOM 0 H ASP A 48 -1.731 0.715 0.500 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.281 -1.294 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.392 -0.592 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.732 -2.262 -0.830 1.00 0.00 H new ATOM 800 N HIS A 49 -1.670 -2.218 2.054 1.00 0.00 N ATOM 801 CA HIS A 49 -1.597 -3.253 3.078 1.00 0.00 C ATOM 802 C HIS A 49 -2.976 -3.534 3.670 1.00 0.00 C ATOM 803 O HIS A 49 -3.392 -4.687 3.778 1.00 0.00 O ATOM 804 CB HIS A 49 -0.628 -2.835 4.187 1.00 0.00 C ATOM 805 CG HIS A 49 0.746 -3.406 4.027 1.00 0.00 C ATOM 806 ND1 HIS A 49 1.468 -3.939 5.075 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.535 -3.527 2.932 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.640 -4.360 4.633 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.704 -4.122 3.337 1.00 0.00 N ATOM 0 H HIS A 49 -1.092 -1.399 2.241 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.231 -4.167 2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.560 -1.747 4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.033 -3.148 5.149 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.147 -3.999 6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.290 -3.214 1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.413 -4.820 5.230 1.00 0.00 H new ATOM 818 N ARG A 50 -3.678 -2.473 4.053 1.00 0.00 N ATOM 819 CA ARG A 50 -5.008 -2.609 4.636 1.00 0.00 C ATOM 820 C ARG A 50 -5.972 -3.256 3.646 1.00 0.00 C ATOM 821 O ARG A 50 -6.738 -4.149 4.006 1.00 0.00 O ATOM 822 CB ARG A 50 -5.542 -1.240 5.067 1.00 0.00 C ATOM 823 CG ARG A 50 -4.948 -0.739 6.374 1.00 0.00 C ATOM 824 CD ARG A 50 -5.417 -1.572 7.556 1.00 0.00 C ATOM 825 NE ARG A 50 -4.422 -1.613 8.626 1.00 0.00 N ATOM 826 CZ ARG A 50 -4.369 -2.565 9.556 1.00 0.00 C ATOM 827 NH1 ARG A 50 -5.251 -3.556 9.554 1.00 0.00 N ATOM 828 NH2 ARG A 50 -3.430 -2.524 10.491 1.00 0.00 N ATOM 0 H ARG A 50 -3.349 -1.511 3.971 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.930 -3.252 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.334 -0.514 4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.626 -1.298 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.860 -0.769 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.230 0.303 6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.349 -1.160 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.632 -2.587 7.222 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.726 -0.868 8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.976 -3.592 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.204 -4.282 10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.750 -1.764 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.388 -3.252 11.204 1.00 0.00 H new ATOM 842 N LEU A 51 -5.928 -2.801 2.399 1.00 0.00 N ATOM 843 CA LEU A 51 -6.797 -3.338 1.359 1.00 0.00 C ATOM 844 C LEU A 51 -6.416 -4.778 1.022 1.00 0.00 C ATOM 845 O LEU A 51 -7.265 -5.584 0.643 1.00 0.00 O ATOM 846 CB LEU A 51 -6.723 -2.466 0.102 1.00 0.00 C ATOM 847 CG LEU A 51 -8.065 -1.913 -0.381 1.00 0.00 C ATOM 848 CD1 LEU A 51 -8.325 -0.542 0.225 1.00 0.00 C ATOM 849 CD2 LEU A 51 -8.096 -1.841 -1.901 1.00 0.00 C ATOM 0 H LEU A 51 -5.300 -2.062 2.084 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.820 -3.332 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.052 -1.630 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.278 -3.051 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.855 -2.589 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.284 -0.163 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.346 -0.623 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.532 0.144 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.058 -1.445 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.297 -1.187 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.955 -2.839 -2.315 1.00 0.00 H new ATOM 861 N ALA A 52 -5.131 -5.091 1.164 1.00 0.00 N ATOM 862 CA ALA A 52 -4.634 -6.429 0.875 1.00 0.00 C ATOM 863 C ALA A 52 -5.266 -7.464 1.799 1.00 0.00 C ATOM 864 O ALA A 52 -5.787 -8.482 1.343 1.00 0.00 O ATOM 865 CB ALA A 52 -3.119 -6.461 1.000 1.00 0.00 C ATOM 0 H ALA A 52 -4.416 -4.434 1.478 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.912 -6.682 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.757 -7.466 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.681 -5.756 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.832 -6.184 2.014 1.00 0.00 H new ATOM 871 N GLU A 53 -5.219 -7.199 3.101 1.00 0.00 N ATOM 872 CA GLU A 53 -5.789 -8.110 4.086 1.00 0.00 C ATOM 873 C GLU A 53 -7.299 -8.224 3.910 1.00 0.00 C ATOM 874 O GLU A 53 -7.891 -9.266 4.190 1.00 0.00 O ATOM 875 CB GLU A 53 -5.461 -7.639 5.505 1.00 0.00 C ATOM 876 CG GLU A 53 -5.732 -6.161 5.735 1.00 0.00 C ATOM 877 CD GLU A 53 -5.681 -5.781 7.202 1.00 0.00 C ATOM 878 OE1 GLU A 53 -4.566 -5.734 7.764 1.00 0.00 O ATOM 879 OE2 GLU A 53 -6.755 -5.532 7.789 1.00 0.00 O ATOM 0 H GLU A 53 -4.792 -6.362 3.497 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.347 -9.094 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.046 -8.222 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.411 -7.844 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.999 -5.571 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.712 -5.908 5.332 1.00 0.00 H new ATOM 886 N LEU A 54 -7.919 -7.145 3.439 1.00 0.00 N ATOM 887 CA LEU A 54 -9.360 -7.127 3.220 1.00 0.00 C ATOM 888 C LEU A 54 -9.764 -8.191 2.205 1.00 0.00 C ATOM 889 O LEU A 54 -10.826 -8.803 2.320 1.00 0.00 O ATOM 890 CB LEU A 54 -9.808 -5.744 2.738 1.00 0.00 C ATOM 891 CG LEU A 54 -10.602 -4.928 3.761 1.00 0.00 C ATOM 892 CD1 LEU A 54 -9.792 -4.736 5.033 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.001 -3.583 3.172 1.00 0.00 C ATOM 0 H LEU A 54 -7.445 -6.273 3.202 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.852 -7.347 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.926 -5.174 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.417 -5.868 1.843 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.510 -5.477 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.372 -4.154 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.555 -5.709 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.868 -4.208 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.565 -3.015 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.105 -3.028 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.619 -3.742 2.288 1.00 0.00 H new ATOM 905 N THR A 55 -8.907 -8.409 1.213 1.00 0.00 N ATOM 906 CA THR A 55 -9.168 -9.401 0.177 1.00 0.00 C ATOM 907 C THR A 55 -8.862 -10.806 0.688 1.00 0.00 C ATOM 908 O THR A 55 -9.554 -11.766 0.348 1.00 0.00 O ATOM 909 CB THR A 55 -8.330 -9.102 -1.067 1.00 0.00 C ATOM 910 OG1 THR A 55 -8.614 -7.804 -1.561 1.00 0.00 O ATOM 911 CG2 THR A 55 -8.562 -10.082 -2.195 1.00 0.00 C ATOM 0 H THR A 55 -8.024 -7.911 1.105 1.00 0.00 H new ATOM 0 HA THR A 55 -10.224 -9.350 -0.087 1.00 0.00 H new ATOM 0 HB THR A 55 -7.292 -9.185 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.917 -7.182 -1.266 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.937 -9.812 -3.046 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.306 -11.088 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.610 -10.054 -2.492 1.00 0.00 H new ATOM 919 N MET A 56 -7.822 -10.915 1.508 1.00 0.00 N ATOM 920 CA MET A 56 -7.421 -12.200 2.072 1.00 0.00 C ATOM 921 C MET A 56 -7.991 -12.384 3.472 1.00 0.00 C ATOM 922 O MET A 56 -7.479 -13.181 4.259 1.00 0.00 O ATOM 923 CB MET A 56 -5.901 -12.301 2.134 1.00 0.00 C ATOM 924 CG MET A 56 -5.244 -12.525 0.783 1.00 0.00 C ATOM 925 SD MET A 56 -4.691 -10.991 0.016 1.00 0.00 S ATOM 926 CE MET A 56 -3.073 -11.477 -0.580 1.00 0.00 C ATOM 0 H MET A 56 -7.241 -10.128 1.797 1.00 0.00 H new ATOM 0 HA MET A 56 -7.814 -12.983 1.424 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.503 -11.386 2.573 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.628 -13.119 2.800 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.392 -13.194 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.949 -13.025 0.119 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.924 -11.087 -1.587 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.306 -11.076 0.082 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.004 -12.565 -0.598 1.00 0.00 H new ATOM 936 N ASN A 57 -9.046 -11.638 3.782 1.00 0.00 N ATOM 937 CA ASN A 57 -9.684 -11.711 5.090 1.00 0.00 C ATOM 938 C ASN A 57 -8.885 -10.931 6.128 1.00 0.00 C ATOM 939 O ASN A 57 -9.369 -9.941 6.679 1.00 0.00 O ATOM 940 CB ASN A 57 -9.854 -13.168 5.539 1.00 0.00 C ATOM 941 CG ASN A 57 -11.263 -13.467 6.012 1.00 0.00 C ATOM 942 OD1 ASN A 57 -11.720 -12.925 7.019 1.00 0.00 O ATOM 943 ND2 ASN A 57 -11.960 -14.332 5.285 1.00 0.00 N ATOM 0 H ASN A 57 -9.479 -10.973 3.141 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.673 -11.260 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.603 -13.832 4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.151 -13.382 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.914 -14.571 5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.541 -14.757 4.458 1.00 0.00 H new ATOM 950 N LYS A 58 -7.662 -11.377 6.390 1.00 0.00 N ATOM 951 CA LYS A 58 -6.804 -10.714 7.365 1.00 0.00 C ATOM 952 C LYS A 58 -5.340 -11.087 7.151 1.00 0.00 C ATOM 953 O LYS A 58 -4.602 -11.312 8.110 1.00 0.00 O ATOM 954 CB LYS A 58 -7.227 -11.094 8.785 1.00 0.00 C ATOM 955 CG LYS A 58 -8.429 -10.316 9.307 1.00 0.00 C ATOM 956 CD LYS A 58 -8.256 -8.812 9.131 1.00 0.00 C ATOM 957 CE LYS A 58 -6.931 -8.326 9.698 1.00 0.00 C ATOM 958 NZ LYS A 58 -6.851 -8.525 11.172 1.00 0.00 N ATOM 0 H LYS A 58 -7.243 -12.192 5.943 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.911 -9.638 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.458 -12.159 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.385 -10.935 9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.327 -10.641 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.577 -10.543 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.312 -8.561 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.076 -8.291 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.112 -8.859 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.803 -7.268 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.955 -8.135 11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.647 -8.038 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.896 -9.541 11.388 1.00 0.00 H new ATOM 972 N LEU A 59 -4.921 -11.152 5.892 1.00 0.00 N ATOM 973 CA LEU A 59 -3.541 -11.500 5.573 1.00 0.00 C ATOM 974 C LEU A 59 -2.850 -10.376 4.805 1.00 0.00 C ATOM 975 O LEU A 59 -3.254 -10.027 3.696 1.00 0.00 O ATOM 976 CB LEU A 59 -3.494 -12.793 4.754 1.00 0.00 C ATOM 977 CG LEU A 59 -2.097 -13.229 4.296 1.00 0.00 C ATOM 978 CD1 LEU A 59 -1.664 -12.442 3.069 1.00 0.00 C ATOM 979 CD2 LEU A 59 -1.086 -13.059 5.421 1.00 0.00 C ATOM 0 H LEU A 59 -5.512 -10.970 5.081 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.010 -11.650 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.930 -13.596 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.125 -12.669 3.874 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.141 -14.285 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.670 -12.767 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.371 -12.615 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.640 -11.379 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.101 -13.374 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.048 -12.012 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.384 -13.670 6.273 1.00 0.00 H new ATOM 991 N TYR A 60 -1.799 -9.822 5.401 1.00 0.00 N ATOM 992 CA TYR A 60 -1.041 -8.748 4.773 1.00 0.00 C ATOM 993 C TYR A 60 0.462 -8.995 4.907 1.00 0.00 C ATOM 994 O TYR A 60 0.895 -9.780 5.750 1.00 0.00 O ATOM 995 CB TYR A 60 -1.423 -7.392 5.374 1.00 0.00 C ATOM 996 CG TYR A 60 -0.669 -7.040 6.636 1.00 0.00 C ATOM 997 CD1 TYR A 60 0.614 -6.517 6.572 1.00 0.00 C ATOM 998 CD2 TYR A 60 -1.238 -7.232 7.888 1.00 0.00 C ATOM 999 CE1 TYR A 60 1.311 -6.192 7.720 1.00 0.00 C ATOM 1000 CE2 TYR A 60 -0.549 -6.911 9.042 1.00 0.00 C ATOM 1001 CZ TYR A 60 0.726 -6.392 8.952 1.00 0.00 C ATOM 1002 OH TYR A 60 1.416 -6.070 10.098 1.00 0.00 O ATOM 0 H TYR A 60 -1.453 -10.100 6.319 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.289 -8.732 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.247 -6.615 4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.491 -7.391 5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.076 -6.361 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.236 -7.639 7.961 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.309 -5.784 7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.006 -7.065 10.008 1.00 0.00 H new ATOM 0 HH TYR A 60 0.862 -6.271 10.881 1.00 0.00 H new ATOM 1012 N ASP A 61 1.246 -8.321 4.063 1.00 0.00 N ATOM 1013 CA ASP A 61 2.707 -8.450 4.064 1.00 0.00 C ATOM 1014 C ASP A 61 3.163 -9.580 3.143 1.00 0.00 C ATOM 1015 O ASP A 61 4.252 -9.522 2.572 1.00 0.00 O ATOM 1016 CB ASP A 61 3.246 -8.678 5.481 1.00 0.00 C ATOM 1017 CG ASP A 61 4.570 -7.977 5.714 1.00 0.00 C ATOM 1018 OD1 ASP A 61 5.391 -7.930 4.775 1.00 0.00 O ATOM 1019 OD2 ASP A 61 4.784 -7.472 6.837 1.00 0.00 O ATOM 0 H ASP A 61 0.889 -7.672 3.361 1.00 0.00 H new ATOM 0 HA ASP A 61 3.113 -7.511 3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.516 -8.320 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.369 -9.747 5.653 1.00 0.00 H new ATOM 1024 N LYS A 62 2.328 -10.604 2.999 1.00 0.00 N ATOM 1025 CA LYS A 62 2.653 -11.738 2.143 1.00 0.00 C ATOM 1026 C LYS A 62 1.733 -11.783 0.927 1.00 0.00 C ATOM 1027 O LYS A 62 1.493 -12.848 0.358 1.00 0.00 O ATOM 1028 CB LYS A 62 2.544 -13.047 2.930 1.00 0.00 C ATOM 1029 CG LYS A 62 3.819 -13.419 3.668 1.00 0.00 C ATOM 1030 CD LYS A 62 3.521 -14.218 4.927 1.00 0.00 C ATOM 1031 CE LYS A 62 4.770 -14.901 5.462 1.00 0.00 C ATOM 1032 NZ LYS A 62 4.885 -14.768 6.941 1.00 0.00 N ATOM 0 H LYS A 62 1.422 -10.671 3.464 1.00 0.00 H new ATOM 0 HA LYS A 62 3.679 -11.616 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.729 -12.963 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.282 -13.853 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.465 -14.001 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.366 -12.514 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.111 -13.557 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.759 -14.967 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.750 -15.957 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.651 -14.468 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.749 -15.247 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.930 -13.761 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.056 -15.204 7.394 1.00 0.00 H new ATOM 1046 N ILE A 63 1.222 -10.621 0.532 1.00 0.00 N ATOM 1047 CA ILE A 63 0.331 -10.530 -0.618 1.00 0.00 C ATOM 1048 C ILE A 63 1.098 -10.732 -1.923 1.00 0.00 C ATOM 1049 O ILE A 63 1.995 -9.953 -2.248 1.00 0.00 O ATOM 1050 CB ILE A 63 -0.389 -9.167 -0.669 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -1.006 -8.833 0.693 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -1.455 -9.173 -1.758 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.393 -7.614 1.349 1.00 0.00 C ATOM 0 H ILE A 63 1.410 -9.730 0.992 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.411 -11.320 -0.505 1.00 0.00 H new ATOM 0 HB ILE A 63 0.343 -8.396 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.076 -8.669 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.890 -9.690 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.955 -8.205 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.987 -9.365 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.186 -9.954 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.877 -7.435 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.673 -7.782 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.533 -6.746 0.705 1.00 0.00 H new ATOM 1065 N PRO A 64 0.759 -11.781 -2.696 1.00 0.00 N ATOM 1066 CA PRO A 64 1.426 -12.067 -3.967 1.00 0.00 C ATOM 1067 C PRO A 64 0.999 -11.108 -5.073 1.00 0.00 C ATOM 1068 O PRO A 64 0.363 -10.088 -4.810 1.00 0.00 O ATOM 1069 CB PRO A 64 0.972 -13.492 -4.286 1.00 0.00 C ATOM 1070 CG PRO A 64 -0.362 -13.611 -3.637 1.00 0.00 C ATOM 1071 CD PRO A 64 -0.301 -12.765 -2.393 1.00 0.00 C ATOM 0 HA PRO A 64 2.508 -11.954 -3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.906 -13.656 -5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.672 -14.229 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.152 -13.266 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.584 -14.649 -3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.255 -12.278 -2.192 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.056 -13.361 -1.514 1.00 0.00 H new ATOM 1079 N SER A 65 1.351 -11.443 -6.308 1.00 0.00 N ATOM 1080 CA SER A 65 1.003 -10.610 -7.453 1.00 0.00 C ATOM 1081 C SER A 65 -0.341 -11.025 -8.045 1.00 0.00 C ATOM 1082 O SER A 65 -1.035 -10.215 -8.659 1.00 0.00 O ATOM 1083 CB SER A 65 2.093 -10.698 -8.523 1.00 0.00 C ATOM 1084 OG SER A 65 3.360 -10.351 -7.992 1.00 0.00 O ATOM 0 H SER A 65 1.877 -12.285 -6.543 1.00 0.00 H new ATOM 0 HA SER A 65 0.922 -9.579 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.129 -11.710 -8.927 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.848 -10.033 -9.351 1.00 0.00 H new ATOM 0 HG SER A 65 4.039 -10.417 -8.696 1.00 0.00 H new ATOM 1090 N SER A 66 -0.702 -12.291 -7.863 1.00 0.00 N ATOM 1091 CA SER A 66 -1.961 -12.811 -8.384 1.00 0.00 C ATOM 1092 C SER A 66 -3.151 -12.234 -7.623 1.00 0.00 C ATOM 1093 O SER A 66 -4.135 -11.805 -8.225 1.00 0.00 O ATOM 1094 CB SER A 66 -1.980 -14.337 -8.300 1.00 0.00 C ATOM 1095 OG SER A 66 -2.003 -14.775 -6.951 1.00 0.00 O ATOM 0 H SER A 66 -0.140 -12.976 -7.358 1.00 0.00 H new ATOM 0 HA SER A 66 -2.042 -12.509 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.854 -14.722 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.102 -14.743 -8.802 1.00 0.00 H new ATOM 0 HG SER A 66 -2.017 -15.755 -6.925 1.00 0.00 H new ATOM 1101 N VAL A 67 -3.058 -12.228 -6.297 1.00 0.00 N ATOM 1102 CA VAL A 67 -4.131 -11.706 -5.459 1.00 0.00 C ATOM 1103 C VAL A 67 -4.347 -10.215 -5.703 1.00 0.00 C ATOM 1104 O VAL A 67 -5.457 -9.782 -6.011 1.00 0.00 O ATOM 1105 CB VAL A 67 -3.842 -11.936 -3.963 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -5.019 -11.482 -3.111 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -3.521 -13.401 -3.701 1.00 0.00 C ATOM 0 H VAL A 67 -2.251 -12.578 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.036 -12.249 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.973 -11.339 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.794 -11.653 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.199 -10.420 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.909 -12.048 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.320 -13.545 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.370 -14.018 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.644 -13.690 -4.279 1.00 0.00 H new ATOM 1117 N TRP A 68 -3.280 -9.434 -5.562 1.00 0.00 N ATOM 1118 CA TRP A 68 -3.358 -7.992 -5.769 1.00 0.00 C ATOM 1119 C TRP A 68 -3.867 -7.670 -7.171 1.00 0.00 C ATOM 1120 O TRP A 68 -4.578 -6.686 -7.376 1.00 0.00 O ATOM 1121 CB TRP A 68 -1.987 -7.348 -5.547 1.00 0.00 C ATOM 1122 CG TRP A 68 -1.963 -6.358 -4.422 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -0.934 -6.135 -3.554 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -3.011 -5.456 -4.043 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -1.277 -5.152 -2.658 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -2.546 -4.720 -2.937 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -4.296 -5.199 -4.530 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -3.321 -3.744 -2.312 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -5.064 -4.231 -3.909 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -4.573 -3.514 -2.811 1.00 0.00 C ATOM 0 H TRP A 68 -2.353 -9.775 -5.306 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.063 -7.583 -5.045 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.256 -8.131 -5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.676 -6.849 -6.465 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.012 -6.656 -3.569 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.683 -4.801 -1.907 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.682 -5.747 -5.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.946 -3.190 -1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.058 -4.025 -4.277 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -5.197 -2.763 -2.348 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.499 -8.509 -8.134 1.00 0.00 N ATOM 1142 CA LYS A 69 -3.919 -8.316 -9.517 1.00 0.00 C ATOM 1143 C LYS A 69 -5.420 -8.544 -9.666 1.00 0.00 C ATOM 1144 O LYS A 69 -6.068 -7.939 -10.520 1.00 0.00 O ATOM 1145 CB LYS A 69 -3.153 -9.263 -10.442 1.00 0.00 C ATOM 1146 CG LYS A 69 -3.445 -9.039 -11.918 1.00 0.00 C ATOM 1147 CD LYS A 69 -2.183 -8.687 -12.692 1.00 0.00 C ATOM 1148 CE LYS A 69 -1.281 -9.898 -12.871 1.00 0.00 C ATOM 1149 NZ LYS A 69 -0.107 -9.857 -11.957 1.00 0.00 N ATOM 0 H LYS A 69 -2.911 -9.329 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.696 -7.287 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.084 -9.141 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.402 -10.292 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.893 -9.938 -12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.175 -8.237 -12.027 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.454 -8.287 -13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.640 -7.902 -12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.853 -10.807 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.935 -9.943 -13.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.670 -10.416 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.203 -8.872 -11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.372 -10.255 -11.033 1.00 0.00 H new ATOM 1163 N PHE A 70 -5.967 -9.419 -8.829 1.00 0.00 N ATOM 1164 CA PHE A 70 -7.392 -9.726 -8.868 1.00 0.00 C ATOM 1165 C PHE A 70 -8.211 -8.579 -8.285 1.00 0.00 C ATOM 1166 O PHE A 70 -9.175 -8.118 -8.897 1.00 0.00 O ATOM 1167 CB PHE A 70 -7.678 -11.015 -8.096 1.00 0.00 C ATOM 1168 CG PHE A 70 -9.106 -11.474 -8.201 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -9.500 -12.328 -9.219 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -10.053 -11.051 -7.282 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -10.812 -12.751 -9.317 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -11.365 -11.471 -7.376 1.00 0.00 C ATOM 1173 CZ PHE A 70 -11.746 -12.322 -8.395 1.00 0.00 C ATOM 0 H PHE A 70 -5.445 -9.928 -8.115 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.681 -9.863 -9.910 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.023 -11.804 -8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.430 -10.862 -7.046 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.774 -12.667 -9.943 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.762 -10.385 -6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -11.107 -13.417 -10.115 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.093 -11.134 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 70 -12.772 -12.651 -8.470 1.00 0.00 H new ATOM 1183 N ILE A 71 -7.820 -8.121 -7.100 1.00 0.00 N ATOM 1184 CA ILE A 71 -8.517 -7.028 -6.435 1.00 0.00 C ATOM 1185 C ILE A 71 -7.902 -5.681 -6.808 1.00 0.00 C ATOM 1186 O ILE A 71 -6.726 -5.428 -6.543 1.00 0.00 O ATOM 1187 CB ILE A 71 -8.498 -7.201 -4.900 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -9.480 -6.229 -4.234 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -7.089 -7.016 -4.350 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -9.023 -4.785 -4.236 1.00 0.00 C ATOM 0 H ILE A 71 -7.024 -8.491 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.553 -7.051 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.817 -8.217 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.441 -6.295 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.644 -6.545 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.101 -7.143 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.425 -7.757 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.732 -6.016 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.774 -4.165 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.078 -4.702 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.888 -4.448 -5.264 1.00 0.00 H new ATOM 1202 N ARG A 72 -8.704 -4.820 -7.426 1.00 0.00 N ATOM 1203 CA ARG A 72 -8.240 -3.500 -7.835 1.00 0.00 C ATOM 1204 C ARG A 72 -9.350 -2.465 -7.693 1.00 0.00 C ATOM 1205 O ARG A 72 -10.385 -2.609 -8.378 1.00 0.00 O ATOM 1206 CB ARG A 72 -7.743 -3.536 -9.281 1.00 0.00 C ATOM 1207 CG ARG A 72 -6.370 -4.173 -9.437 1.00 0.00 C ATOM 1208 CD ARG A 72 -5.354 -3.186 -9.990 1.00 0.00 C ATOM 1209 NE ARG A 72 -4.006 -3.451 -9.490 1.00 0.00 N ATOM 1210 CZ ARG A 72 -3.225 -4.426 -9.948 1.00 0.00 C ATOM 1211 NH1 ARG A 72 -3.651 -5.230 -10.914 1.00 0.00 N ATOM 1212 NH2 ARG A 72 -2.012 -4.596 -9.439 1.00 0.00 N ATOM 1213 OXT ARG A 72 -9.178 -1.517 -6.897 1.00 0.00 O ATOM 0 H ARG A 72 -9.679 -5.013 -7.655 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.416 -3.214 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.461 -4.086 -9.890 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.709 -2.518 -9.670 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.029 -4.544 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.441 -5.034 -10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.354 -3.238 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.649 -2.172 -9.719 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.643 -2.854 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.582 -5.102 -11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.047 -5.975 -11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.679 -3.980 -8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.412 -5.343 -9.789 1.00 0.00 H new TER 1227 ARG A 72