USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 881 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= -0.289 USER MOD Set 1.3: A 110 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 1 GLY N :NH3+ 122:sc= 0.0882 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= -0.0232 (180deg=-0.297) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.263 F(o=-2.8!,f=-0.26) USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.0866 (180deg=-0.697) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0152 (180deg=-0.295) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -130:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 47:sc= -0.766 USER MOD Single : A 40 SER OG : rot -71:sc= 0.169 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -43:sc= 0.734 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -27:sc= 0.186 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0785 USER MOD Single : A 68 CYS SG : rot 23:sc= 0.087 USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -1.02 (180deg=-1.17) USER MOD Single : A 71 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.25) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.103) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 61:sc= 0.165 USER MOD Single : A 105 MET CE :methyl -176:sc= 0 (180deg=-0.0262) USER MOD Single : A 107 CYS SG : rot 15:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.087 -31.467 29.908 1.00 0.00 N ATOM 2 CA GLY A 1 27.624 -31.744 29.827 1.00 0.00 C ATOM 3 C GLY A 1 27.221 -31.921 28.370 1.00 0.00 C ATOM 4 O GLY A 1 27.937 -31.503 27.461 1.00 0.00 O ATOM 0 H1 GLY A 1 29.242 -30.557 30.387 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.555 -32.225 30.445 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.486 -31.425 28.949 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.381 -32.643 30.394 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.062 -30.924 30.274 1.00 0.00 H new ATOM 7 N LYS A 2 26.069 -32.546 28.151 1.00 0.00 N ATOM 8 CA LYS A 2 25.593 -32.774 26.795 1.00 0.00 C ATOM 9 C LYS A 2 25.171 -31.452 26.160 1.00 0.00 C ATOM 10 O LYS A 2 24.267 -30.779 26.654 1.00 0.00 O ATOM 11 CB LYS A 2 24.396 -33.746 26.823 1.00 0.00 C ATOM 12 CG LYS A 2 24.358 -34.573 25.531 1.00 0.00 C ATOM 13 CD LYS A 2 24.171 -33.647 24.332 1.00 0.00 C ATOM 14 CE LYS A 2 23.829 -34.472 23.099 1.00 0.00 C ATOM 15 NZ LYS A 2 23.597 -33.562 21.941 1.00 0.00 N ATOM 0 H LYS A 2 25.456 -32.899 28.886 1.00 0.00 H new ATOM 0 HA LYS A 2 26.398 -33.210 26.203 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.475 -34.408 27.685 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.467 -33.188 26.934 1.00 0.00 H new ATOM 0 HG2 LYS A 2 25.283 -35.140 25.424 1.00 0.00 H new ATOM 0 HG3 LYS A 2 23.544 -35.296 25.575 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.376 -32.930 24.534 1.00 0.00 H new ATOM 0 HD3 LYS A 2 25.081 -33.073 24.157 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.641 -35.164 22.875 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.940 -35.074 23.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 23.363 -34.125 21.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.809 -32.919 22.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.457 -33.006 21.758 1.00 0.00 H new ATOM 29 N LYS A 3 25.824 -31.097 25.058 1.00 0.00 N ATOM 30 CA LYS A 3 25.505 -29.862 24.354 1.00 0.00 C ATOM 31 C LYS A 3 24.000 -29.681 24.255 1.00 0.00 C ATOM 32 O LYS A 3 23.244 -30.604 24.548 1.00 0.00 O ATOM 33 CB LYS A 3 26.112 -29.888 22.950 1.00 0.00 C ATOM 34 CG LYS A 3 27.631 -29.760 23.054 1.00 0.00 C ATOM 35 CD LYS A 3 28.248 -29.834 21.655 1.00 0.00 C ATOM 36 CE LYS A 3 29.770 -29.755 21.763 1.00 0.00 C ATOM 37 NZ LYS A 3 30.166 -28.396 22.231 1.00 0.00 N ATOM 0 H LYS A 3 26.574 -31.645 24.635 1.00 0.00 H new ATOM 0 HA LYS A 3 25.925 -29.027 24.914 1.00 0.00 H new ATOM 0 HB2 LYS A 3 25.848 -30.817 22.444 1.00 0.00 H new ATOM 0 HB3 LYS A 3 25.707 -29.072 22.351 1.00 0.00 H new ATOM 0 HG2 LYS A 3 27.895 -28.815 23.530 1.00 0.00 H new ATOM 0 HG3 LYS A 3 28.031 -30.556 23.682 1.00 0.00 H new ATOM 0 HD2 LYS A 3 27.955 -30.763 21.166 1.00 0.00 H new ATOM 0 HD3 LYS A 3 27.874 -29.017 21.038 1.00 0.00 H new ATOM 0 HE2 LYS A 3 30.136 -30.511 22.458 1.00 0.00 H new ATOM 0 HE3 LYS A 3 30.225 -29.965 20.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 31.179 -28.248 22.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 29.614 -27.678 21.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 29.981 -28.313 23.251 1.00 0.00 H new ATOM 51 N VAL A 4 23.574 -28.489 23.835 1.00 0.00 N ATOM 52 CA VAL A 4 22.150 -28.192 23.693 1.00 0.00 C ATOM 53 C VAL A 4 21.348 -28.877 24.799 1.00 0.00 C ATOM 54 O VAL A 4 21.865 -29.123 25.884 1.00 0.00 O ATOM 55 CB VAL A 4 21.647 -28.669 22.325 1.00 0.00 C ATOM 56 CG1 VAL A 4 22.421 -27.950 21.221 1.00 0.00 C ATOM 57 CG2 VAL A 4 21.854 -30.186 22.186 1.00 0.00 C ATOM 0 H VAL A 4 24.193 -27.717 23.588 1.00 0.00 H new ATOM 0 HA VAL A 4 22.014 -27.113 23.773 1.00 0.00 H new ATOM 0 HB VAL A 4 20.584 -28.444 22.238 1.00 0.00 H new ATOM 0 HG11 VAL A 4 22.065 -28.288 20.248 1.00 0.00 H new ATOM 0 HG12 VAL A 4 22.268 -26.875 21.310 1.00 0.00 H new ATOM 0 HG13 VAL A 4 23.483 -28.174 21.316 1.00 0.00 H new ATOM 0 HG21 VAL A 4 21.494 -30.515 21.211 1.00 0.00 H new ATOM 0 HG22 VAL A 4 22.915 -30.418 22.278 1.00 0.00 H new ATOM 0 HG23 VAL A 4 21.300 -30.702 22.970 1.00 0.00 H new ATOM 67 N GLU A 5 20.086 -29.191 24.508 1.00 0.00 N ATOM 68 CA GLU A 5 19.229 -29.860 25.481 1.00 0.00 C ATOM 69 C GLU A 5 18.364 -30.912 24.797 1.00 0.00 C ATOM 70 O GLU A 5 17.853 -30.694 23.699 1.00 0.00 O ATOM 71 CB GLU A 5 18.334 -28.832 26.172 1.00 0.00 C ATOM 72 CG GLU A 5 19.186 -27.895 27.034 1.00 0.00 C ATOM 73 CD GLU A 5 19.828 -28.677 28.175 1.00 0.00 C ATOM 74 OE1 GLU A 5 19.330 -29.747 28.484 1.00 0.00 O ATOM 75 OE2 GLU A 5 20.809 -28.198 28.719 1.00 0.00 O ATOM 0 H GLU A 5 19.639 -28.994 23.613 1.00 0.00 H new ATOM 0 HA GLU A 5 19.860 -30.352 26.221 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.785 -28.256 25.427 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.595 -29.339 26.792 1.00 0.00 H new ATOM 0 HG2 GLU A 5 19.958 -27.427 26.423 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.567 -27.093 27.435 1.00 0.00 H new ATOM 82 N PHE A 6 18.208 -32.054 25.457 1.00 0.00 N ATOM 83 CA PHE A 6 17.403 -33.137 24.905 1.00 0.00 C ATOM 84 C PHE A 6 16.029 -32.619 24.497 1.00 0.00 C ATOM 85 O PHE A 6 15.442 -31.788 25.188 1.00 0.00 O ATOM 86 CB PHE A 6 17.240 -34.246 25.948 1.00 0.00 C ATOM 87 CG PHE A 6 18.568 -34.927 26.171 1.00 0.00 C ATOM 88 CD1 PHE A 6 18.977 -35.958 25.316 1.00 0.00 C ATOM 89 CD2 PHE A 6 19.387 -34.530 27.234 1.00 0.00 C ATOM 90 CE1 PHE A 6 20.209 -36.588 25.523 1.00 0.00 C ATOM 91 CE2 PHE A 6 20.620 -35.162 27.441 1.00 0.00 C ATOM 92 CZ PHE A 6 21.030 -36.191 26.585 1.00 0.00 C ATOM 0 H PHE A 6 18.624 -32.253 26.367 1.00 0.00 H new ATOM 0 HA PHE A 6 17.909 -33.535 24.025 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.872 -33.827 26.885 1.00 0.00 H new ATOM 0 HB3 PHE A 6 16.500 -34.971 25.610 1.00 0.00 H new ATOM 0 HD1 PHE A 6 18.342 -36.266 24.498 1.00 0.00 H new ATOM 0 HD2 PHE A 6 19.069 -33.737 27.894 1.00 0.00 H new ATOM 0 HE1 PHE A 6 20.527 -37.381 24.863 1.00 0.00 H new ATOM 0 HE2 PHE A 6 21.254 -34.856 28.260 1.00 0.00 H new ATOM 0 HZ PHE A 6 21.980 -36.679 26.744 1.00 0.00 H new ATOM 102 N ASN A 7 15.528 -33.112 23.369 1.00 0.00 N ATOM 103 CA ASN A 7 14.222 -32.691 22.874 1.00 0.00 C ATOM 104 C ASN A 7 14.210 -31.194 22.600 1.00 0.00 C ATOM 105 O ASN A 7 13.768 -30.408 23.433 1.00 0.00 O ATOM 106 CB ASN A 7 13.138 -33.028 23.901 1.00 0.00 C ATOM 107 CG ASN A 7 11.759 -32.854 23.278 1.00 0.00 C ATOM 108 OD1 ASN A 7 11.654 -32.402 22.059 1.00 0.00 O flip ATOM 109 ND2 ASN A 7 10.747 -33.131 23.923 1.00 0.00 N flip ATOM 0 H ASN A 7 16.003 -33.799 22.784 1.00 0.00 H new ATOM 0 HA ASN A 7 14.021 -33.223 21.944 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.262 -34.053 24.250 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.237 -32.381 24.772 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.831 -33.484 24.876 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.825 -33.007 23.504 1.00 0.00 H new ATOM 116 N ASP A 8 14.697 -30.809 21.425 1.00 0.00 N ATOM 117 CA ASP A 8 14.741 -29.396 21.038 1.00 0.00 C ATOM 118 C ASP A 8 13.884 -29.155 19.813 1.00 0.00 C ATOM 119 O ASP A 8 14.226 -28.331 18.962 1.00 0.00 O ATOM 120 CB ASP A 8 16.180 -28.972 20.752 1.00 0.00 C ATOM 121 CG ASP A 8 16.957 -28.854 22.059 1.00 0.00 C ATOM 122 OD1 ASP A 8 16.324 -28.809 23.101 1.00 0.00 O ATOM 123 OD2 ASP A 8 18.173 -28.809 21.998 1.00 0.00 O ATOM 0 H ASP A 8 15.067 -31.450 20.723 1.00 0.00 H new ATOM 0 HA ASP A 8 14.350 -28.801 21.864 1.00 0.00 H new ATOM 0 HB2 ASP A 8 16.660 -29.701 20.098 1.00 0.00 H new ATOM 0 HB3 ASP A 8 16.189 -28.017 20.226 1.00 0.00 H new ATOM 128 N LYS A 9 12.761 -29.873 19.725 1.00 0.00 N ATOM 129 CA LYS A 9 11.856 -29.716 18.593 1.00 0.00 C ATOM 130 C LYS A 9 10.410 -29.576 19.060 1.00 0.00 C ATOM 131 O LYS A 9 10.065 -29.985 20.167 1.00 0.00 O ATOM 132 CB LYS A 9 11.978 -30.936 17.647 1.00 0.00 C ATOM 133 CG LYS A 9 12.802 -30.576 16.393 1.00 0.00 C ATOM 134 CD LYS A 9 14.290 -30.773 16.688 1.00 0.00 C ATOM 135 CE LYS A 9 15.099 -30.426 15.444 1.00 0.00 C ATOM 136 NZ LYS A 9 14.876 -28.993 15.095 1.00 0.00 N ATOM 0 H LYS A 9 12.463 -30.560 20.417 1.00 0.00 H new ATOM 0 HA LYS A 9 12.136 -28.808 18.060 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.452 -31.764 18.174 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.985 -31.273 17.351 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.500 -31.203 15.554 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.611 -29.543 16.103 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.594 -30.141 17.522 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.481 -31.805 16.984 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.159 -30.608 15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.802 -31.065 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.659 -28.655 14.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.980 -28.898 14.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.834 -28.426 15.966 1.00 0.00 H new ATOM 150 N PRO A 10 9.568 -29.016 18.223 1.00 0.00 N ATOM 151 CA PRO A 10 8.129 -28.830 18.542 1.00 0.00 C ATOM 152 C PRO A 10 7.344 -30.135 18.475 1.00 0.00 C ATOM 153 O PRO A 10 7.160 -30.813 19.485 1.00 0.00 O ATOM 154 CB PRO A 10 7.646 -27.826 17.487 1.00 0.00 C ATOM 155 CG PRO A 10 8.553 -28.033 16.313 1.00 0.00 C ATOM 156 CD PRO A 10 9.896 -28.496 16.879 1.00 0.00 C ATOM 0 HA PRO A 10 7.979 -28.477 19.562 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.605 -28.006 17.218 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.707 -26.803 17.858 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.142 -28.778 15.631 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.669 -27.110 15.745 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.346 -29.267 16.254 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.609 -27.673 16.934 1.00 0.00 H new ATOM 164 N LYS A 11 6.887 -30.468 17.281 1.00 0.00 N ATOM 165 CA LYS A 11 6.118 -31.689 17.070 1.00 0.00 C ATOM 166 C LYS A 11 4.794 -31.619 17.827 1.00 0.00 C ATOM 167 O LYS A 11 3.727 -31.498 17.224 1.00 0.00 O ATOM 168 CB LYS A 11 6.925 -32.899 17.550 1.00 0.00 C ATOM 169 CG LYS A 11 6.333 -34.181 16.961 1.00 0.00 C ATOM 170 CD LYS A 11 7.232 -35.367 17.317 1.00 0.00 C ATOM 171 CE LYS A 11 6.651 -36.645 16.709 1.00 0.00 C ATOM 172 NZ LYS A 11 5.383 -36.995 17.412 1.00 0.00 N ATOM 0 H LYS A 11 7.034 -29.911 16.439 1.00 0.00 H new ATOM 0 HA LYS A 11 5.909 -31.793 16.005 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.967 -32.796 17.248 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.912 -32.948 18.639 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.328 -34.343 17.350 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.245 -34.090 15.878 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.241 -35.198 16.941 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.308 -35.468 18.400 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.462 -36.502 15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.367 -37.462 16.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.139 -37.986 17.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.507 -36.867 18.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.618 -36.376 17.076 1.00 0.00 H new ATOM 186 N VAL A 12 4.870 -31.701 19.150 1.00 0.00 N ATOM 187 CA VAL A 12 3.674 -31.644 19.980 1.00 0.00 C ATOM 188 C VAL A 12 2.998 -30.282 19.842 1.00 0.00 C ATOM 189 O VAL A 12 1.770 -30.180 19.862 1.00 0.00 O ATOM 190 CB VAL A 12 4.043 -31.891 21.445 1.00 0.00 C ATOM 191 CG1 VAL A 12 4.856 -33.183 21.554 1.00 0.00 C ATOM 192 CG2 VAL A 12 4.874 -30.715 21.973 1.00 0.00 C ATOM 0 H VAL A 12 5.742 -31.807 19.668 1.00 0.00 H new ATOM 0 HA VAL A 12 2.981 -32.417 19.648 1.00 0.00 H new ATOM 0 HB VAL A 12 3.133 -31.983 22.037 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.120 -33.360 22.597 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.263 -34.019 21.183 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.766 -33.092 20.960 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.135 -30.893 23.016 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.785 -30.619 21.382 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.293 -29.796 21.897 1.00 0.00 H new ATOM 202 N ARG A 13 3.809 -29.239 19.698 1.00 0.00 N ATOM 203 CA ARG A 13 3.284 -27.887 19.549 1.00 0.00 C ATOM 204 C ARG A 13 2.746 -27.674 18.138 1.00 0.00 C ATOM 205 O ARG A 13 3.056 -28.441 17.226 1.00 0.00 O ATOM 206 CB ARG A 13 4.374 -26.857 19.844 1.00 0.00 C ATOM 207 CG ARG A 13 4.719 -26.890 21.334 1.00 0.00 C ATOM 208 CD ARG A 13 5.771 -25.825 21.641 1.00 0.00 C ATOM 209 NE ARG A 13 6.095 -25.828 23.063 1.00 0.00 N ATOM 210 CZ ARG A 13 6.762 -24.821 23.616 1.00 0.00 C ATOM 211 NH1 ARG A 13 7.143 -23.811 22.885 1.00 0.00 N ATOM 212 NH2 ARG A 13 7.038 -24.847 24.891 1.00 0.00 N ATOM 0 H ARG A 13 4.827 -29.303 19.681 1.00 0.00 H new ATOM 0 HA ARG A 13 2.469 -27.758 20.262 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.262 -27.072 19.250 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.034 -25.861 19.561 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.823 -26.713 21.929 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.094 -27.876 21.609 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.671 -26.014 21.056 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.400 -24.843 21.348 1.00 0.00 H new ATOM 0 HE ARG A 13 5.805 -26.616 23.642 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.929 -23.794 21.888 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.655 -23.038 23.310 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.742 -25.639 25.461 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.550 -24.075 25.318 1.00 0.00 H new ATOM 226 N LYS A 14 1.940 -26.632 17.967 1.00 0.00 N ATOM 227 CA LYS A 14 1.363 -26.333 16.661 1.00 0.00 C ATOM 228 C LYS A 14 2.464 -26.169 15.625 1.00 0.00 C ATOM 229 O LYS A 14 3.512 -25.603 15.919 1.00 0.00 O ATOM 230 CB LYS A 14 0.539 -25.046 16.734 1.00 0.00 C ATOM 231 CG LYS A 14 -0.678 -25.274 17.631 1.00 0.00 C ATOM 232 CD LYS A 14 -1.488 -23.981 17.729 1.00 0.00 C ATOM 233 CE LYS A 14 -2.717 -24.214 18.612 1.00 0.00 C ATOM 234 NZ LYS A 14 -3.500 -22.952 18.715 1.00 0.00 N ATOM 0 H LYS A 14 1.673 -25.985 18.709 1.00 0.00 H new ATOM 0 HA LYS A 14 0.717 -27.161 16.370 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.148 -24.233 17.128 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.218 -24.749 15.735 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.297 -26.074 17.225 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.357 -25.591 18.623 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.872 -23.185 18.147 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.797 -23.657 16.735 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.336 -25.006 18.190 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.408 -24.545 19.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.335 -23.109 19.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.907 -22.209 19.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.806 -22.655 17.766 1.00 0.00 H new ATOM 248 N ILE A 15 2.214 -26.671 14.412 1.00 0.00 N ATOM 249 CA ILE A 15 3.191 -26.579 13.320 1.00 0.00 C ATOM 250 C ILE A 15 2.619 -25.758 12.168 1.00 0.00 C ATOM 251 O ILE A 15 2.045 -26.309 11.228 1.00 0.00 O ATOM 252 CB ILE A 15 3.554 -27.974 12.827 1.00 0.00 C ATOM 253 CG1 ILE A 15 4.000 -28.828 14.020 1.00 0.00 C ATOM 254 CG2 ILE A 15 4.699 -27.870 11.817 1.00 0.00 C ATOM 255 CD1 ILE A 15 5.178 -28.159 14.748 1.00 0.00 C ATOM 0 H ILE A 15 1.346 -27.144 14.161 1.00 0.00 H new ATOM 0 HA ILE A 15 4.088 -26.086 13.695 1.00 0.00 H new ATOM 0 HB ILE A 15 2.689 -28.435 12.350 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.167 -28.963 14.710 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.293 -29.820 13.676 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.962 -28.866 11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.385 -27.255 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.566 -27.415 12.296 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.483 -28.778 15.592 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.015 -28.047 14.059 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.872 -27.177 15.109 1.00 0.00 H new ATOM 267 N PRO A 16 2.770 -24.457 12.223 1.00 0.00 N ATOM 268 CA PRO A 16 2.262 -23.541 11.162 1.00 0.00 C ATOM 269 C PRO A 16 2.819 -23.901 9.791 1.00 0.00 C ATOM 270 O PRO A 16 3.967 -24.319 9.666 1.00 0.00 O ATOM 271 CB PRO A 16 2.755 -22.151 11.606 1.00 0.00 C ATOM 272 CG PRO A 16 3.012 -22.276 13.075 1.00 0.00 C ATOM 273 CD PRO A 16 3.432 -23.720 13.308 1.00 0.00 C ATOM 0 HA PRO A 16 1.178 -23.596 11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.661 -21.865 11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.008 -21.384 11.401 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.794 -21.586 13.394 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.118 -22.033 13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.515 -23.833 13.266 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.112 -24.077 14.287 1.00 0.00 H new ATOM 281 N SER A 17 1.997 -23.727 8.763 1.00 0.00 N ATOM 282 CA SER A 17 2.402 -24.026 7.389 1.00 0.00 C ATOM 283 C SER A 17 2.443 -22.754 6.557 1.00 0.00 C ATOM 284 O SER A 17 2.451 -22.812 5.330 1.00 0.00 O ATOM 285 CB SER A 17 1.429 -25.018 6.760 1.00 0.00 C ATOM 286 OG SER A 17 1.491 -26.248 7.472 1.00 0.00 O ATOM 0 H SER A 17 1.042 -23.379 8.852 1.00 0.00 H new ATOM 0 HA SER A 17 3.399 -24.465 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.415 -24.619 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.681 -25.178 5.711 1.00 0.00 H new ATOM 0 HG SER A 17 0.866 -26.889 7.073 1.00 0.00 H new ATOM 292 N THR A 18 2.456 -21.605 7.228 1.00 0.00 N ATOM 293 CA THR A 18 2.480 -20.316 6.531 1.00 0.00 C ATOM 294 C THR A 18 3.590 -19.436 7.083 1.00 0.00 C ATOM 295 O THR A 18 4.165 -19.726 8.131 1.00 0.00 O ATOM 296 CB THR A 18 1.130 -19.604 6.710 1.00 0.00 C ATOM 297 OG1 THR A 18 1.182 -18.786 7.868 1.00 0.00 O ATOM 298 CG2 THR A 18 0.021 -20.646 6.876 1.00 0.00 C ATOM 0 H THR A 18 2.450 -21.537 8.246 1.00 0.00 H new ATOM 0 HA THR A 18 2.663 -20.496 5.472 1.00 0.00 H new ATOM 0 HB THR A 18 0.923 -18.989 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.323 -18.329 7.984 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.937 -20.141 7.003 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.018 -21.280 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.227 -21.260 7.753 1.00 0.00 H new ATOM 306 N ARG A 19 3.890 -18.355 6.369 1.00 0.00 N ATOM 307 CA ARG A 19 4.939 -17.423 6.791 1.00 0.00 C ATOM 308 C ARG A 19 4.428 -15.994 6.729 1.00 0.00 C ATOM 309 O ARG A 19 3.396 -15.726 6.123 1.00 0.00 O ATOM 310 CB ARG A 19 6.164 -17.572 5.895 1.00 0.00 C ATOM 311 CG ARG A 19 6.805 -18.939 6.131 1.00 0.00 C ATOM 312 CD ARG A 19 8.005 -19.107 5.200 1.00 0.00 C ATOM 313 NE ARG A 19 8.624 -20.413 5.410 1.00 0.00 N ATOM 314 CZ ARG A 19 8.168 -21.497 4.790 1.00 0.00 C ATOM 315 NH1 ARG A 19 7.147 -21.404 3.981 1.00 0.00 N ATOM 316 NH2 ARG A 19 8.739 -22.654 4.988 1.00 0.00 N ATOM 0 H ARG A 19 3.425 -18.100 5.498 1.00 0.00 H new ATOM 0 HA ARG A 19 5.218 -17.655 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.877 -17.469 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.882 -16.780 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.122 -19.029 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.077 -19.730 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.686 -19.010 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.733 -18.317 5.386 1.00 0.00 H new ATOM 0 HE ARG A 19 9.420 -20.495 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.700 -20.500 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.796 -22.235 3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.537 -22.728 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.388 -23.484 4.511 1.00 0.00 H new ATOM 330 N LYS A 20 5.152 -15.079 7.364 1.00 0.00 N ATOM 331 CA LYS A 20 4.762 -13.669 7.379 1.00 0.00 C ATOM 332 C LYS A 20 5.959 -12.790 7.057 1.00 0.00 C ATOM 333 O LYS A 20 7.084 -13.097 7.444 1.00 0.00 O ATOM 334 CB LYS A 20 4.209 -13.298 8.754 1.00 0.00 C ATOM 335 CG LYS A 20 2.909 -14.062 9.005 1.00 0.00 C ATOM 336 CD LYS A 20 2.361 -13.699 10.386 1.00 0.00 C ATOM 337 CE LYS A 20 1.032 -14.420 10.613 1.00 0.00 C ATOM 338 NZ LYS A 20 0.499 -14.070 11.959 1.00 0.00 N ATOM 0 H LYS A 20 6.011 -15.285 7.875 1.00 0.00 H new ATOM 0 HA LYS A 20 3.991 -13.510 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.939 -13.537 9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.028 -12.224 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.177 -13.817 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.088 -15.135 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.076 -13.981 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.219 -12.621 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.316 -14.136 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.173 -15.498 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.405 -14.561 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.180 -14.362 12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.349 -13.042 12.017 1.00 0.00 H new ATOM 352 N ILE A 21 5.709 -11.694 6.345 1.00 0.00 N ATOM 353 CA ILE A 21 6.780 -10.769 5.975 1.00 0.00 C ATOM 354 C ILE A 21 6.470 -9.375 6.504 1.00 0.00 C ATOM 355 O ILE A 21 5.324 -8.925 6.478 1.00 0.00 O ATOM 356 CB ILE A 21 6.911 -10.718 4.450 1.00 0.00 C ATOM 357 CG1 ILE A 21 5.635 -10.093 3.833 1.00 0.00 C ATOM 358 CG2 ILE A 21 7.105 -12.138 3.909 1.00 0.00 C ATOM 359 CD1 ILE A 21 5.890 -8.623 3.478 1.00 0.00 C ATOM 0 H ILE A 21 4.782 -11.425 6.014 1.00 0.00 H new ATOM 0 HA ILE A 21 7.716 -11.117 6.411 1.00 0.00 H new ATOM 0 HB ILE A 21 7.772 -10.106 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.344 -10.646 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.807 -10.167 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.198 -12.104 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.009 -12.570 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.246 -12.751 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.988 -8.192 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.159 -8.072 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.705 -8.559 2.757 1.00 0.00 H new ATOM 371 N LYS A 22 7.506 -8.691 6.985 1.00 0.00 N ATOM 372 CA LYS A 22 7.345 -7.340 7.520 1.00 0.00 C ATOM 373 C LYS A 22 8.457 -6.429 7.017 1.00 0.00 C ATOM 374 O LYS A 22 8.820 -5.454 7.674 1.00 0.00 O ATOM 375 CB LYS A 22 7.366 -7.383 9.052 1.00 0.00 C ATOM 376 CG LYS A 22 6.662 -6.143 9.617 1.00 0.00 C ATOM 377 CD LYS A 22 6.579 -6.248 11.135 1.00 0.00 C ATOM 378 CE LYS A 22 5.868 -5.011 11.688 1.00 0.00 C ATOM 379 NZ LYS A 22 5.785 -5.110 13.172 1.00 0.00 N ATOM 0 H LYS A 22 8.461 -9.047 7.016 1.00 0.00 H new ATOM 0 HA LYS A 22 6.388 -6.943 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.870 -8.287 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.395 -7.423 9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.207 -5.243 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.661 -6.056 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.038 -7.150 11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.579 -6.328 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.409 -4.109 11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.868 -4.932 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.302 -4.270 13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.251 -5.963 13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.744 -5.166 13.570 1.00 0.00 H new ATOM 393 N ILE A 23 9.004 -6.750 5.850 1.00 0.00 N ATOM 394 CA ILE A 23 10.082 -5.947 5.274 1.00 0.00 C ATOM 395 C ILE A 23 9.528 -4.977 4.244 1.00 0.00 C ATOM 396 O ILE A 23 8.949 -5.385 3.243 1.00 0.00 O ATOM 397 CB ILE A 23 11.113 -6.861 4.608 1.00 0.00 C ATOM 398 CG1 ILE A 23 11.757 -7.757 5.675 1.00 0.00 C ATOM 399 CG2 ILE A 23 12.187 -6.014 3.935 1.00 0.00 C ATOM 400 CD1 ILE A 23 10.726 -8.755 6.227 1.00 0.00 C ATOM 0 H ILE A 23 8.724 -7.553 5.287 1.00 0.00 H new ATOM 0 HA ILE A 23 10.559 -5.381 6.075 1.00 0.00 H new ATOM 0 HB ILE A 23 10.622 -7.481 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.601 -8.296 5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.150 -7.144 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.921 -6.666 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.727 -5.376 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.682 -5.393 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.197 -9.384 6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.895 -8.210 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.354 -9.380 5.415 1.00 0.00 H new ATOM 412 N THR A 24 9.707 -3.686 4.501 1.00 0.00 N ATOM 413 CA THR A 24 9.221 -2.655 3.584 1.00 0.00 C ATOM 414 C THR A 24 10.218 -1.508 3.501 1.00 0.00 C ATOM 415 O THR A 24 10.882 -1.177 4.481 1.00 0.00 O ATOM 416 CB THR A 24 7.868 -2.126 4.066 1.00 0.00 C ATOM 417 OG1 THR A 24 7.489 -1.016 3.263 1.00 0.00 O ATOM 418 CG2 THR A 24 7.980 -1.686 5.526 1.00 0.00 C ATOM 0 H THR A 24 10.181 -3.328 5.330 1.00 0.00 H new ATOM 0 HA THR A 24 9.106 -3.095 2.594 1.00 0.00 H new ATOM 0 HB THR A 24 7.117 -2.912 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.622 -0.674 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.016 -1.310 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.276 -2.536 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.728 -0.898 5.612 1.00 0.00 H new ATOM 426 N PHE A 25 10.316 -0.904 2.320 1.00 0.00 N ATOM 427 CA PHE A 25 11.236 0.214 2.118 1.00 0.00 C ATOM 428 C PHE A 25 10.532 1.535 2.391 1.00 0.00 C ATOM 429 O PHE A 25 9.450 1.789 1.863 1.00 0.00 O ATOM 430 CB PHE A 25 11.760 0.205 0.676 1.00 0.00 C ATOM 431 CG PHE A 25 12.849 -0.833 0.539 1.00 0.00 C ATOM 432 CD1 PHE A 25 14.060 -0.660 1.221 1.00 0.00 C ATOM 433 CD2 PHE A 25 12.651 -1.966 -0.261 1.00 0.00 C ATOM 434 CE1 PHE A 25 15.074 -1.618 1.100 1.00 0.00 C ATOM 435 CE2 PHE A 25 13.665 -2.922 -0.381 1.00 0.00 C ATOM 436 CZ PHE A 25 14.876 -2.750 0.298 1.00 0.00 C ATOM 0 H PHE A 25 9.776 -1.166 1.495 1.00 0.00 H new ATOM 0 HA PHE A 25 12.071 0.105 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.947 -0.013 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.147 1.189 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.212 0.212 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.716 -2.101 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.009 -1.485 1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 25 13.513 -3.795 -0.999 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.658 -3.489 0.204 1.00 0.00 H new ATOM 446 N ALA A 26 11.151 2.369 3.219 1.00 0.00 N ATOM 447 CA ALA A 26 10.581 3.674 3.562 1.00 0.00 C ATOM 448 C ALA A 26 11.426 4.793 2.966 1.00 0.00 C ATOM 449 O ALA A 26 12.572 4.998 3.360 1.00 0.00 O ATOM 450 CB ALA A 26 10.519 3.824 5.089 1.00 0.00 C ATOM 0 H ALA A 26 12.046 2.169 3.666 1.00 0.00 H new ATOM 0 HA ALA A 26 9.574 3.740 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.095 4.796 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.894 3.035 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.524 3.748 5.503 1.00 0.00 H new ATOM 456 N LEU A 27 10.846 5.517 2.014 1.00 0.00 N ATOM 457 CA LEU A 27 11.554 6.620 1.371 1.00 0.00 C ATOM 458 C LEU A 27 10.578 7.703 0.943 1.00 0.00 C ATOM 459 O LEU A 27 10.096 7.696 -0.185 1.00 0.00 O ATOM 460 CB LEU A 27 12.310 6.110 0.144 1.00 0.00 C ATOM 461 CG LEU A 27 11.396 5.169 -0.678 1.00 0.00 C ATOM 462 CD1 LEU A 27 11.640 5.387 -2.173 1.00 0.00 C ATOM 463 CD2 LEU A 27 11.699 3.706 -0.325 1.00 0.00 C ATOM 0 H LEU A 27 9.897 5.363 1.673 1.00 0.00 H new ATOM 0 HA LEU A 27 12.259 7.039 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.632 6.950 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.210 5.579 0.454 1.00 0.00 H new ATOM 0 HG LEU A 27 10.356 5.392 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.995 4.723 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.417 6.422 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.683 5.172 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.052 3.050 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.741 3.485 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.519 3.543 0.738 1.00 0.00 H new ATOM 475 N ASP A 28 10.299 8.634 1.850 1.00 0.00 N ATOM 476 CA ASP A 28 9.379 9.730 1.560 1.00 0.00 C ATOM 477 C ASP A 28 8.957 10.430 2.846 1.00 0.00 C ATOM 478 O ASP A 28 8.503 11.574 2.817 1.00 0.00 O ATOM 479 CB ASP A 28 8.133 9.198 0.820 1.00 0.00 C ATOM 480 CG ASP A 28 8.262 9.435 -0.682 1.00 0.00 C ATOM 481 OD1 ASP A 28 8.592 10.547 -1.058 1.00 0.00 O ATOM 482 OD2 ASP A 28 8.037 8.501 -1.434 1.00 0.00 O ATOM 0 H ASP A 28 10.695 8.652 2.790 1.00 0.00 H new ATOM 0 HA ASP A 28 9.893 10.450 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.013 8.133 1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.239 9.695 1.197 1.00 0.00 H new ATOM 487 N ALA A 29 9.100 9.736 3.968 1.00 0.00 N ATOM 488 CA ALA A 29 8.722 10.302 5.258 1.00 0.00 C ATOM 489 C ALA A 29 7.206 10.266 5.435 1.00 0.00 C ATOM 490 O ALA A 29 6.683 9.491 6.239 1.00 0.00 O ATOM 491 CB ALA A 29 9.228 11.752 5.360 1.00 0.00 C ATOM 0 H ALA A 29 9.472 8.787 4.012 1.00 0.00 H new ATOM 0 HA ALA A 29 9.178 9.705 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.943 12.170 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.314 11.766 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.786 12.349 4.562 1.00 0.00 H new ATOM 497 N THR A 30 6.509 11.111 4.686 1.00 0.00 N ATOM 498 CA THR A 30 5.056 11.170 4.776 1.00 0.00 C ATOM 499 C THR A 30 4.444 9.827 4.383 1.00 0.00 C ATOM 500 O THR A 30 3.606 9.274 5.102 1.00 0.00 O ATOM 501 CB THR A 30 4.522 12.275 3.854 1.00 0.00 C ATOM 502 OG1 THR A 30 4.819 13.549 4.417 1.00 0.00 O ATOM 503 CG2 THR A 30 3.003 12.128 3.690 1.00 0.00 C ATOM 0 H THR A 30 6.922 11.759 4.015 1.00 0.00 H new ATOM 0 HA THR A 30 4.778 11.394 5.806 1.00 0.00 H new ATOM 0 HB THR A 30 4.998 12.188 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.008 14.098 4.429 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.630 12.915 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.777 11.155 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.522 12.209 4.665 1.00 0.00 H new ATOM 511 N PHE A 31 4.868 9.304 3.238 1.00 0.00 N ATOM 512 CA PHE A 31 4.356 8.028 2.759 1.00 0.00 C ATOM 513 C PHE A 31 4.916 6.885 3.594 1.00 0.00 C ATOM 514 O PHE A 31 4.329 5.808 3.658 1.00 0.00 O ATOM 515 CB PHE A 31 4.725 7.836 1.288 1.00 0.00 C ATOM 516 CG PHE A 31 4.294 6.463 0.835 1.00 0.00 C ATOM 517 CD1 PHE A 31 2.931 6.163 0.734 1.00 0.00 C ATOM 518 CD2 PHE A 31 5.259 5.494 0.515 1.00 0.00 C ATOM 519 CE1 PHE A 31 2.528 4.886 0.315 1.00 0.00 C ATOM 520 CE2 PHE A 31 4.853 4.220 0.096 1.00 0.00 C ATOM 521 CZ PHE A 31 3.488 3.918 -0.004 1.00 0.00 C ATOM 0 H PHE A 31 5.560 9.741 2.629 1.00 0.00 H new ATOM 0 HA PHE A 31 3.270 8.028 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.242 8.600 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.800 7.954 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.192 6.912 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.310 5.730 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.477 4.650 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.591 3.471 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.176 2.936 -0.328 1.00 0.00 H new ATOM 531 N ASP A 32 6.059 7.126 4.229 1.00 0.00 N ATOM 532 CA ASP A 32 6.685 6.104 5.059 1.00 0.00 C ATOM 533 C ASP A 32 5.833 5.829 6.297 1.00 0.00 C ATOM 534 O ASP A 32 5.500 4.682 6.589 1.00 0.00 O ATOM 535 CB ASP A 32 8.077 6.567 5.488 1.00 0.00 C ATOM 536 CG ASP A 32 9.003 6.621 4.276 1.00 0.00 C ATOM 537 OD1 ASP A 32 8.587 6.179 3.218 1.00 0.00 O ATOM 538 OD2 ASP A 32 10.115 7.098 4.428 1.00 0.00 O ATOM 0 H ASP A 32 6.566 8.010 4.186 1.00 0.00 H new ATOM 0 HA ASP A 32 6.770 5.186 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.015 7.551 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.482 5.885 6.236 1.00 0.00 H new ATOM 543 N SER A 33 5.471 6.894 7.005 1.00 0.00 N ATOM 544 CA SER A 33 4.643 6.758 8.200 1.00 0.00 C ATOM 545 C SER A 33 3.256 6.234 7.830 1.00 0.00 C ATOM 546 O SER A 33 2.724 5.328 8.485 1.00 0.00 O ATOM 547 CB SER A 33 4.513 8.110 8.901 1.00 0.00 C ATOM 548 OG SER A 33 3.434 8.057 9.827 1.00 0.00 O ATOM 0 H SER A 33 5.734 7.852 6.776 1.00 0.00 H new ATOM 0 HA SER A 33 5.120 6.047 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.440 8.355 9.419 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.340 8.898 8.168 1.00 0.00 H new ATOM 0 HG SER A 33 3.349 8.922 10.280 1.00 0.00 H new ATOM 554 N VAL A 34 2.678 6.810 6.777 1.00 0.00 N ATOM 555 CA VAL A 34 1.353 6.394 6.332 1.00 0.00 C ATOM 556 C VAL A 34 1.371 4.931 5.909 1.00 0.00 C ATOM 557 O VAL A 34 0.486 4.158 6.274 1.00 0.00 O ATOM 558 CB VAL A 34 0.898 7.266 5.162 1.00 0.00 C ATOM 559 CG1 VAL A 34 -0.440 6.751 4.629 1.00 0.00 C ATOM 560 CG2 VAL A 34 0.735 8.711 5.639 1.00 0.00 C ATOM 0 H VAL A 34 3.101 7.556 6.224 1.00 0.00 H new ATOM 0 HA VAL A 34 0.654 6.512 7.160 1.00 0.00 H new ATOM 0 HB VAL A 34 1.643 7.226 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.763 7.374 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.325 5.721 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.187 6.790 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.411 9.335 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.010 8.750 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.689 9.079 6.018 1.00 0.00 H new ATOM 570 N LEU A 35 2.383 4.557 5.140 1.00 0.00 N ATOM 571 CA LEU A 35 2.505 3.183 4.676 1.00 0.00 C ATOM 572 C LEU A 35 2.674 2.238 5.862 1.00 0.00 C ATOM 573 O LEU A 35 2.103 1.146 5.883 1.00 0.00 O ATOM 574 CB LEU A 35 3.711 3.049 3.735 1.00 0.00 C ATOM 575 CG LEU A 35 3.907 1.578 3.339 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.643 1.057 2.640 1.00 0.00 C ATOM 577 CD2 LEU A 35 5.102 1.463 2.394 1.00 0.00 C ATOM 0 H LEU A 35 3.127 5.181 4.826 1.00 0.00 H new ATOM 0 HA LEU A 35 1.596 2.917 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.556 3.657 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.609 3.425 4.225 1.00 0.00 H new ATOM 0 HG LEU A 35 4.092 0.983 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.786 0.013 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.793 1.138 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.452 1.649 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.243 0.420 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.918 2.059 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.999 1.828 2.895 1.00 0.00 H new ATOM 589 N SER A 36 3.471 2.657 6.838 1.00 0.00 N ATOM 590 CA SER A 36 3.720 1.835 8.012 1.00 0.00 C ATOM 591 C SER A 36 2.405 1.518 8.720 1.00 0.00 C ATOM 592 O SER A 36 2.177 0.388 9.156 1.00 0.00 O ATOM 593 CB SER A 36 4.654 2.567 8.975 1.00 0.00 C ATOM 594 OG SER A 36 5.206 1.633 9.895 1.00 0.00 O ATOM 0 H SER A 36 3.953 3.556 6.839 1.00 0.00 H new ATOM 0 HA SER A 36 4.189 0.904 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.451 3.063 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.107 3.343 9.511 1.00 0.00 H new ATOM 0 HG SER A 36 5.807 2.099 10.513 1.00 0.00 H new ATOM 600 N LYS A 37 1.545 2.521 8.832 1.00 0.00 N ATOM 601 CA LYS A 37 0.255 2.326 9.487 1.00 0.00 C ATOM 602 C LYS A 37 -0.738 1.662 8.538 1.00 0.00 C ATOM 603 O LYS A 37 -1.729 1.074 8.973 1.00 0.00 O ATOM 604 CB LYS A 37 -0.301 3.677 9.941 1.00 0.00 C ATOM 605 CG LYS A 37 0.600 4.258 11.032 1.00 0.00 C ATOM 606 CD LYS A 37 -0.072 5.487 11.651 1.00 0.00 C ATOM 607 CE LYS A 37 -0.117 6.629 10.632 1.00 0.00 C ATOM 608 NZ LYS A 37 -0.406 7.908 11.332 1.00 0.00 N ATOM 0 H LYS A 37 1.711 3.465 8.484 1.00 0.00 H new ATOM 0 HA LYS A 37 0.401 1.677 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.355 4.363 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.316 3.556 10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.788 3.508 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.567 4.533 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.083 5.236 11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.476 5.802 12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.835 6.698 10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.883 6.431 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.437 8.683 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.324 7.839 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.340 8.097 12.031 1.00 0.00 H new ATOM 622 N ALA A 38 -0.470 1.767 7.241 1.00 0.00 N ATOM 623 CA ALA A 38 -1.349 1.177 6.237 1.00 0.00 C ATOM 624 C ALA A 38 -1.214 -0.341 6.220 1.00 0.00 C ATOM 625 O ALA A 38 -2.192 -1.063 6.025 1.00 0.00 O ATOM 626 CB ALA A 38 -1.014 1.738 4.854 1.00 0.00 C ATOM 0 H ALA A 38 0.343 2.252 6.861 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.377 1.431 6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.675 1.292 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.149 2.820 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.021 1.503 4.607 1.00 0.00 H new ATOM 632 N CYS A 39 0.008 -0.818 6.416 1.00 0.00 N ATOM 633 CA CYS A 39 0.269 -2.255 6.410 1.00 0.00 C ATOM 634 C CYS A 39 1.619 -2.562 7.047 1.00 0.00 C ATOM 635 O CYS A 39 1.701 -2.887 8.231 1.00 0.00 O ATOM 636 CB CYS A 39 0.246 -2.782 4.971 1.00 0.00 C ATOM 637 SG CYS A 39 0.985 -4.434 4.905 1.00 0.00 S ATOM 0 H CYS A 39 0.830 -0.237 6.580 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.510 -2.748 6.991 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.780 -2.819 4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.794 -2.103 4.317 1.00 0.00 H new ATOM 0 HG CYS A 39 0.503 -5.164 5.867 1.00 0.00 H new ATOM 643 N SER A 40 2.678 -2.463 6.248 1.00 0.00 N ATOM 644 CA SER A 40 4.028 -2.741 6.734 1.00 0.00 C ATOM 645 C SER A 40 4.178 -4.223 7.057 1.00 0.00 C ATOM 646 O SER A 40 5.281 -4.695 7.327 1.00 0.00 O ATOM 647 CB SER A 40 4.312 -1.908 7.995 1.00 0.00 C ATOM 648 OG SER A 40 4.430 -2.767 9.122 1.00 0.00 O ATOM 0 H SER A 40 2.629 -2.194 5.265 1.00 0.00 H new ATOM 0 HA SER A 40 4.742 -2.473 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.230 -1.335 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.508 -1.189 8.156 1.00 0.00 H new ATOM 0 HG SER A 40 3.549 -3.129 9.351 1.00 0.00 H new ATOM 654 N GLU A 41 3.066 -4.949 7.032 1.00 0.00 N ATOM 655 CA GLU A 41 3.088 -6.377 7.330 1.00 0.00 C ATOM 656 C GLU A 41 2.034 -7.107 6.513 1.00 0.00 C ATOM 657 O GLU A 41 0.896 -6.656 6.409 1.00 0.00 O ATOM 658 CB GLU A 41 2.835 -6.603 8.827 1.00 0.00 C ATOM 659 CG GLU A 41 3.361 -7.982 9.238 1.00 0.00 C ATOM 660 CD GLU A 41 2.547 -9.074 8.550 1.00 0.00 C ATOM 661 OE1 GLU A 41 1.364 -8.862 8.338 1.00 0.00 O ATOM 662 OE2 GLU A 41 3.120 -10.104 8.236 1.00 0.00 O ATOM 0 H GLU A 41 2.143 -4.576 6.810 1.00 0.00 H new ATOM 0 HA GLU A 41 4.069 -6.772 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.329 -5.826 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.768 -6.532 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.413 -8.075 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.299 -8.097 10.320 1.00 0.00 H new ATOM 669 N PHE A 42 2.419 -8.245 5.942 1.00 0.00 N ATOM 670 CA PHE A 42 1.492 -9.036 5.134 1.00 0.00 C ATOM 671 C PHE A 42 1.719 -10.524 5.365 1.00 0.00 C ATOM 672 O PHE A 42 2.846 -10.966 5.600 1.00 0.00 O ATOM 673 CB PHE A 42 1.694 -8.709 3.654 1.00 0.00 C ATOM 674 CG PHE A 42 0.734 -9.530 2.825 1.00 0.00 C ATOM 675 CD1 PHE A 42 -0.646 -9.320 2.940 1.00 0.00 C ATOM 676 CD2 PHE A 42 1.221 -10.501 1.938 1.00 0.00 C ATOM 677 CE1 PHE A 42 -1.537 -10.079 2.173 1.00 0.00 C ATOM 678 CE2 PHE A 42 0.330 -11.259 1.170 1.00 0.00 C ATOM 679 CZ PHE A 42 -1.048 -11.048 1.288 1.00 0.00 C ATOM 0 H PHE A 42 3.357 -8.638 6.022 1.00 0.00 H new ATOM 0 HA PHE A 42 0.472 -8.788 5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.527 -7.646 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.721 -8.923 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.023 -8.572 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.285 -10.664 1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.601 -9.918 2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.706 -12.006 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.736 -11.633 0.696 1.00 0.00 H new ATOM 689 N GLU A 43 0.637 -11.295 5.295 1.00 0.00 N ATOM 690 CA GLU A 43 0.722 -12.738 5.495 1.00 0.00 C ATOM 691 C GLU A 43 1.058 -13.434 4.187 1.00 0.00 C ATOM 692 O GLU A 43 0.722 -12.946 3.115 1.00 0.00 O ATOM 693 CB GLU A 43 -0.606 -13.273 6.036 1.00 0.00 C ATOM 694 CG GLU A 43 -0.869 -12.692 7.431 1.00 0.00 C ATOM 695 CD GLU A 43 -1.456 -11.285 7.311 1.00 0.00 C ATOM 696 OE1 GLU A 43 -1.534 -10.790 6.199 1.00 0.00 O ATOM 697 OE2 GLU A 43 -1.821 -10.730 8.332 1.00 0.00 O ATOM 0 H GLU A 43 -0.302 -10.947 5.103 1.00 0.00 H new ATOM 0 HA GLU A 43 1.512 -12.941 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.419 -13.005 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.578 -14.362 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.557 -13.336 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.059 -12.660 8.001 1.00 0.00 H new ATOM 704 N VAL A 44 1.732 -14.577 4.286 1.00 0.00 N ATOM 705 CA VAL A 44 2.117 -15.338 3.096 1.00 0.00 C ATOM 706 C VAL A 44 1.681 -16.792 3.226 1.00 0.00 C ATOM 707 O VAL A 44 2.032 -17.476 4.186 1.00 0.00 O ATOM 708 CB VAL A 44 3.636 -15.274 2.918 1.00 0.00 C ATOM 709 CG1 VAL A 44 4.065 -16.229 1.800 1.00 0.00 C ATOM 710 CG2 VAL A 44 4.046 -13.845 2.556 1.00 0.00 C ATOM 0 H VAL A 44 2.022 -14.996 5.170 1.00 0.00 H new ATOM 0 HA VAL A 44 1.624 -14.902 2.227 1.00 0.00 H new ATOM 0 HB VAL A 44 4.122 -15.568 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.147 -16.181 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.774 -17.247 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.580 -15.939 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.128 -13.798 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.558 -13.551 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.745 -13.167 3.354 1.00 0.00 H new ATOM 720 N ASP A 45 0.918 -17.257 2.244 1.00 0.00 N ATOM 721 CA ASP A 45 0.439 -18.639 2.240 1.00 0.00 C ATOM 722 C ASP A 45 0.452 -19.203 0.824 1.00 0.00 C ATOM 723 O ASP A 45 0.102 -18.512 -0.131 1.00 0.00 O ATOM 724 CB ASP A 45 -0.976 -18.701 2.806 1.00 0.00 C ATOM 725 CG ASP A 45 -1.033 -17.991 4.154 1.00 0.00 C ATOM 726 OD1 ASP A 45 -0.748 -16.805 4.193 1.00 0.00 O ATOM 727 OD2 ASP A 45 -1.365 -18.641 5.132 1.00 0.00 O ATOM 0 H ASP A 45 0.617 -16.702 1.442 1.00 0.00 H new ATOM 0 HA ASP A 45 1.103 -19.238 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.675 -18.235 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.285 -19.740 2.920 1.00 0.00 H new ATOM 732 N LYS A 46 0.860 -20.460 0.698 1.00 0.00 N ATOM 733 CA LYS A 46 0.917 -21.107 -0.608 1.00 0.00 C ATOM 734 C LYS A 46 -0.402 -20.941 -1.339 1.00 0.00 C ATOM 735 O LYS A 46 -1.267 -21.811 -1.274 1.00 0.00 O ATOM 736 CB LYS A 46 1.214 -22.599 -0.428 1.00 0.00 C ATOM 737 CG LYS A 46 2.534 -22.784 0.337 1.00 0.00 C ATOM 738 CD LYS A 46 3.722 -22.563 -0.607 1.00 0.00 C ATOM 739 CE LYS A 46 5.024 -22.804 0.148 1.00 0.00 C ATOM 740 NZ LYS A 46 6.171 -22.571 -0.772 1.00 0.00 N ATOM 0 H LYS A 46 1.154 -21.048 1.478 1.00 0.00 H new ATOM 0 HA LYS A 46 1.708 -20.641 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.399 -23.077 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.277 -23.086 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.584 -22.081 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.579 -23.786 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.653 -23.239 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.701 -21.548 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.090 -22.136 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.052 -23.823 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.063 -22.734 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.108 -23.225 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.144 -21.591 -1.119 1.00 0.00 H new ATOM 754 N ASP A 47 -0.544 -19.818 -2.040 1.00 0.00 N ATOM 755 CA ASP A 47 -1.763 -19.538 -2.791 1.00 0.00 C ATOM 756 C ASP A 47 -1.718 -18.129 -3.370 1.00 0.00 C ATOM 757 O ASP A 47 -2.290 -17.872 -4.427 1.00 0.00 O ATOM 758 CB ASP A 47 -2.989 -19.684 -1.863 1.00 0.00 C ATOM 759 CG ASP A 47 -3.609 -21.070 -2.018 1.00 0.00 C ATOM 760 OD1 ASP A 47 -3.867 -21.451 -3.147 1.00 0.00 O ATOM 761 OD2 ASP A 47 -3.805 -21.728 -1.011 1.00 0.00 O ATOM 0 H ASP A 47 0.168 -19.090 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.843 -20.250 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.690 -19.526 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.728 -18.919 -2.102 1.00 0.00 H new ATOM 766 N VAL A 48 -1.051 -17.220 -2.666 1.00 0.00 N ATOM 767 CA VAL A 48 -0.950 -15.832 -3.121 1.00 0.00 C ATOM 768 C VAL A 48 0.448 -15.550 -3.652 1.00 0.00 C ATOM 769 O VAL A 48 1.419 -15.522 -2.897 1.00 0.00 O ATOM 770 CB VAL A 48 -1.269 -14.882 -1.959 1.00 0.00 C ATOM 771 CG1 VAL A 48 -2.786 -14.764 -1.788 1.00 0.00 C ATOM 772 CG2 VAL A 48 -0.658 -15.432 -0.665 1.00 0.00 C ATOM 0 H VAL A 48 -0.575 -17.414 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.668 -15.671 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.850 -13.899 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.008 -14.088 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.226 -14.372 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.206 -15.747 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.885 -14.757 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.077 -16.416 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.423 -15.515 -0.779 1.00 0.00 H new ATOM 782 N THR A 49 0.544 -15.337 -4.956 1.00 0.00 N ATOM 783 CA THR A 49 1.830 -15.053 -5.584 1.00 0.00 C ATOM 784 C THR A 49 2.131 -13.560 -5.517 1.00 0.00 C ATOM 785 O THR A 49 1.256 -12.753 -5.203 1.00 0.00 O ATOM 786 CB THR A 49 1.813 -15.513 -7.042 1.00 0.00 C ATOM 787 OG1 THR A 49 1.124 -14.552 -7.830 1.00 0.00 O ATOM 788 CG2 THR A 49 1.107 -16.864 -7.142 1.00 0.00 C ATOM 0 H THR A 49 -0.248 -15.355 -5.599 1.00 0.00 H new ATOM 0 HA THR A 49 2.609 -15.595 -5.047 1.00 0.00 H new ATOM 0 HB THR A 49 2.835 -15.614 -7.406 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.318 -14.258 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.095 -17.192 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.638 -17.598 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.083 -16.767 -6.780 1.00 0.00 H new ATOM 796 N LEU A 50 3.377 -13.197 -5.814 1.00 0.00 N ATOM 797 CA LEU A 50 3.784 -11.795 -5.784 1.00 0.00 C ATOM 798 C LEU A 50 2.693 -10.907 -6.383 1.00 0.00 C ATOM 799 O LEU A 50 2.477 -9.779 -5.930 1.00 0.00 O ATOM 800 CB LEU A 50 5.082 -11.620 -6.569 1.00 0.00 C ATOM 801 CG LEU A 50 4.863 -12.050 -8.043 1.00 0.00 C ATOM 802 CD1 LEU A 50 4.709 -10.810 -8.931 1.00 0.00 C ATOM 803 CD2 LEU A 50 6.063 -12.871 -8.528 1.00 0.00 C ATOM 0 H LEU A 50 4.117 -13.849 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 50 3.943 -11.499 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.406 -10.580 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.874 -12.219 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 50 3.958 -12.655 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.556 -11.120 -9.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.851 -10.227 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.610 -10.201 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.904 -13.171 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.968 -12.268 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.171 -13.759 -7.906 1.00 0.00 H new ATOM 815 N ASP A 51 2.005 -11.424 -7.399 1.00 0.00 N ATOM 816 CA ASP A 51 0.937 -10.665 -8.045 1.00 0.00 C ATOM 817 C ASP A 51 -0.148 -10.304 -7.032 1.00 0.00 C ATOM 818 O ASP A 51 -0.564 -9.146 -6.929 1.00 0.00 O ATOM 819 CB ASP A 51 0.328 -11.498 -9.179 1.00 0.00 C ATOM 820 CG ASP A 51 1.291 -11.562 -10.361 1.00 0.00 C ATOM 821 OD1 ASP A 51 2.183 -10.732 -10.422 1.00 0.00 O ATOM 822 OD2 ASP A 51 1.126 -12.447 -11.186 1.00 0.00 O ATOM 0 H ASP A 51 2.165 -12.353 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 51 1.356 -9.745 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.109 -12.505 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.618 -11.059 -9.495 1.00 0.00 H new ATOM 827 N GLU A 52 -0.585 -11.295 -6.269 1.00 0.00 N ATOM 828 CA GLU A 52 -1.606 -11.071 -5.257 1.00 0.00 C ATOM 829 C GLU A 52 -1.078 -10.150 -4.175 1.00 0.00 C ATOM 830 O GLU A 52 -1.823 -9.354 -3.621 1.00 0.00 O ATOM 831 CB GLU A 52 -2.043 -12.403 -4.640 1.00 0.00 C ATOM 832 CG GLU A 52 -2.837 -13.223 -5.670 1.00 0.00 C ATOM 833 CD GLU A 52 -1.880 -13.939 -6.620 1.00 0.00 C ATOM 834 OE1 GLU A 52 -0.688 -13.710 -6.517 1.00 0.00 O ATOM 835 OE2 GLU A 52 -2.357 -14.697 -7.445 1.00 0.00 O ATOM 0 H GLU A 52 -0.251 -12.257 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.468 -10.602 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.169 -12.965 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.656 -12.221 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.467 -13.951 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.500 -12.568 -6.235 1.00 0.00 H new ATOM 842 N LEU A 53 0.210 -10.264 -3.879 1.00 0.00 N ATOM 843 CA LEU A 53 0.823 -9.431 -2.852 1.00 0.00 C ATOM 844 C LEU A 53 0.703 -7.953 -3.231 1.00 0.00 C ATOM 845 O LEU A 53 0.442 -7.096 -2.388 1.00 0.00 O ATOM 846 CB LEU A 53 2.305 -9.813 -2.693 1.00 0.00 C ATOM 847 CG LEU A 53 2.742 -9.593 -1.238 1.00 0.00 C ATOM 848 CD1 LEU A 53 4.213 -9.974 -1.084 1.00 0.00 C ATOM 849 CD2 LEU A 53 2.539 -8.122 -0.851 1.00 0.00 C ATOM 0 H LEU A 53 0.847 -10.920 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 53 0.306 -9.594 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.454 -10.856 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.920 -9.211 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 53 2.138 -10.218 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.523 -9.818 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.347 -11.023 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.820 -9.354 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.851 -7.971 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.136 -7.488 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.486 -7.861 -0.954 1.00 0.00 H new ATOM 861 N LEU A 54 0.908 -7.665 -4.505 1.00 0.00 N ATOM 862 CA LEU A 54 0.819 -6.289 -4.989 1.00 0.00 C ATOM 863 C LEU A 54 -0.631 -5.815 -4.991 1.00 0.00 C ATOM 864 O LEU A 54 -0.920 -4.641 -4.743 1.00 0.00 O ATOM 865 CB LEU A 54 1.394 -6.191 -6.399 1.00 0.00 C ATOM 866 CG LEU A 54 2.906 -6.465 -6.350 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.419 -6.721 -7.771 1.00 0.00 C ATOM 868 CD2 LEU A 54 3.649 -5.259 -5.742 1.00 0.00 C ATOM 0 H LEU A 54 1.135 -8.355 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 54 1.396 -5.651 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.903 -6.910 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.205 -5.201 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 54 3.090 -7.340 -5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.491 -6.916 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.905 -7.584 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.226 -5.845 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.719 -5.467 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.468 -4.374 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.287 -5.081 -4.729 1.00 0.00 H new ATOM 880 N ASP A 55 -1.538 -6.736 -5.306 1.00 0.00 N ATOM 881 CA ASP A 55 -2.954 -6.399 -5.362 1.00 0.00 C ATOM 882 C ASP A 55 -3.532 -6.165 -3.969 1.00 0.00 C ATOM 883 O ASP A 55 -4.264 -5.204 -3.741 1.00 0.00 O ATOM 884 CB ASP A 55 -3.728 -7.528 -6.049 1.00 0.00 C ATOM 885 CG ASP A 55 -3.391 -7.567 -7.535 1.00 0.00 C ATOM 886 OD1 ASP A 55 -2.847 -6.590 -8.026 1.00 0.00 O ATOM 887 OD2 ASP A 55 -3.683 -8.571 -8.160 1.00 0.00 O ATOM 0 H ASP A 55 -1.320 -7.708 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.054 -5.475 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.479 -8.483 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.799 -7.379 -5.915 1.00 0.00 H new ATOM 892 N VAL A 56 -3.212 -7.067 -3.051 1.00 0.00 N ATOM 893 CA VAL A 56 -3.724 -6.966 -1.686 1.00 0.00 C ATOM 894 C VAL A 56 -3.118 -5.775 -0.958 1.00 0.00 C ATOM 895 O VAL A 56 -3.833 -4.979 -0.353 1.00 0.00 O ATOM 896 CB VAL A 56 -3.407 -8.252 -0.916 1.00 0.00 C ATOM 897 CG1 VAL A 56 -4.035 -9.454 -1.633 1.00 0.00 C ATOM 898 CG2 VAL A 56 -1.886 -8.432 -0.836 1.00 0.00 C ATOM 0 H VAL A 56 -2.607 -7.870 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.803 -6.824 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.819 -8.185 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.807 -10.366 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.116 -9.322 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.629 -9.529 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.656 -9.346 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.474 -8.499 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.445 -7.579 -0.319 1.00 0.00 H new ATOM 908 N VAL A 57 -1.796 -5.658 -1.015 1.00 0.00 N ATOM 909 CA VAL A 57 -1.113 -4.562 -0.341 1.00 0.00 C ATOM 910 C VAL A 57 -1.606 -3.224 -0.879 1.00 0.00 C ATOM 911 O VAL A 57 -1.908 -2.307 -0.107 1.00 0.00 O ATOM 912 CB VAL A 57 0.399 -4.682 -0.558 1.00 0.00 C ATOM 913 CG1 VAL A 57 0.740 -4.373 -2.016 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.127 -3.697 0.355 1.00 0.00 C ATOM 0 H VAL A 57 -1.182 -6.301 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.330 -4.615 0.726 1.00 0.00 H new ATOM 0 HB VAL A 57 0.715 -5.698 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.816 -4.460 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.226 -5.080 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.421 -3.359 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.202 -3.783 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.807 -2.681 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.891 -3.923 1.395 1.00 0.00 H new ATOM 924 N LEU A 58 -1.684 -3.112 -2.208 1.00 0.00 N ATOM 925 CA LEU A 58 -2.136 -1.871 -2.810 1.00 0.00 C ATOM 926 C LEU A 58 -3.580 -1.582 -2.410 1.00 0.00 C ATOM 927 O LEU A 58 -3.878 -0.529 -1.844 1.00 0.00 O ATOM 928 CB LEU A 58 -2.040 -1.987 -4.339 1.00 0.00 C ATOM 929 CG LEU A 58 -2.418 -0.645 -4.987 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.422 0.443 -4.550 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.394 -0.793 -6.511 1.00 0.00 C ATOM 0 H LEU A 58 -1.444 -3.852 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.505 -1.054 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.028 -2.269 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.705 -2.774 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.419 -0.356 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.694 1.392 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.449 0.546 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.416 0.162 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.662 0.157 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.394 -1.084 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.109 -1.558 -6.814 1.00 0.00 H new ATOM 943 N ASP A 59 -4.468 -2.521 -2.710 1.00 0.00 N ATOM 944 CA ASP A 59 -5.878 -2.355 -2.379 1.00 0.00 C ATOM 945 C ASP A 59 -6.020 -1.986 -0.907 1.00 0.00 C ATOM 946 O ASP A 59 -6.858 -1.165 -0.545 1.00 0.00 O ATOM 947 CB ASP A 59 -6.635 -3.654 -2.658 1.00 0.00 C ATOM 948 CG ASP A 59 -8.138 -3.407 -2.601 1.00 0.00 C ATOM 949 OD1 ASP A 59 -8.529 -2.251 -2.586 1.00 0.00 O ATOM 950 OD2 ASP A 59 -8.877 -4.377 -2.574 1.00 0.00 O ATOM 0 H ASP A 59 -4.240 -3.398 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.297 -1.558 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.359 -4.041 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.355 -4.412 -1.926 1.00 0.00 H new ATOM 955 N ALA A 60 -5.191 -2.593 -0.066 1.00 0.00 N ATOM 956 CA ALA A 60 -5.229 -2.312 1.364 1.00 0.00 C ATOM 957 C ALA A 60 -4.960 -0.834 1.628 1.00 0.00 C ATOM 958 O ALA A 60 -5.698 -0.178 2.366 1.00 0.00 O ATOM 959 CB ALA A 60 -4.177 -3.157 2.089 1.00 0.00 C ATOM 0 H ALA A 60 -4.489 -3.278 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.222 -2.563 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.211 -2.942 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.384 -4.215 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.187 -2.916 1.702 1.00 0.00 H new ATOM 965 N VAL A 61 -3.897 -0.313 1.017 1.00 0.00 N ATOM 966 CA VAL A 61 -3.542 1.091 1.200 1.00 0.00 C ATOM 967 C VAL A 61 -4.663 1.997 0.696 1.00 0.00 C ATOM 968 O VAL A 61 -5.054 2.956 1.369 1.00 0.00 O ATOM 969 CB VAL A 61 -2.250 1.402 0.438 1.00 0.00 C ATOM 970 CG1 VAL A 61 -1.963 2.906 0.505 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.089 0.635 1.072 1.00 0.00 C ATOM 0 H VAL A 61 -3.275 -0.834 0.399 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.392 1.276 2.264 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.362 1.100 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.043 3.125 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.790 3.455 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.851 3.209 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.169 0.855 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.979 0.937 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.291 -0.435 1.024 1.00 0.00 H new ATOM 981 N GLU A 62 -5.174 1.693 -0.493 1.00 0.00 N ATOM 982 CA GLU A 62 -6.241 2.491 -1.082 1.00 0.00 C ATOM 983 C GLU A 62 -7.489 2.434 -0.207 1.00 0.00 C ATOM 984 O GLU A 62 -8.177 3.439 -0.024 1.00 0.00 O ATOM 985 CB GLU A 62 -6.574 1.969 -2.481 1.00 0.00 C ATOM 986 CG GLU A 62 -7.482 2.971 -3.199 1.00 0.00 C ATOM 987 CD GLU A 62 -6.681 4.208 -3.592 1.00 0.00 C ATOM 988 OE1 GLU A 62 -5.474 4.183 -3.422 1.00 0.00 O ATOM 989 OE2 GLU A 62 -7.284 5.159 -4.056 1.00 0.00 O ATOM 0 H GLU A 62 -4.868 0.905 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.902 3.525 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.658 1.819 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.068 1.000 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.916 2.511 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.310 3.255 -2.550 1.00 0.00 H new ATOM 996 N SER A 63 -7.781 1.252 0.330 1.00 0.00 N ATOM 997 CA SER A 63 -8.953 1.082 1.180 1.00 0.00 C ATOM 998 C SER A 63 -8.868 1.994 2.396 1.00 0.00 C ATOM 999 O SER A 63 -9.812 2.723 2.703 1.00 0.00 O ATOM 1000 CB SER A 63 -9.048 -0.375 1.642 1.00 0.00 C ATOM 1001 OG SER A 63 -10.162 -0.519 2.514 1.00 0.00 O ATOM 0 H SER A 63 -7.227 0.406 0.193 1.00 0.00 H new ATOM 0 HA SER A 63 -9.841 1.344 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.157 -1.035 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.131 -0.667 2.153 1.00 0.00 H new ATOM 0 HG SER A 63 -10.227 -1.451 2.811 1.00 0.00 H new ATOM 1007 N THR A 64 -7.731 1.953 3.087 1.00 0.00 N ATOM 1008 CA THR A 64 -7.541 2.787 4.270 1.00 0.00 C ATOM 1009 C THR A 64 -7.685 4.258 3.909 1.00 0.00 C ATOM 1010 O THR A 64 -8.621 4.924 4.354 1.00 0.00 O ATOM 1011 CB THR A 64 -6.153 2.540 4.862 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.176 2.657 3.836 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.098 1.139 5.467 1.00 0.00 C ATOM 0 H THR A 64 -6.936 1.359 2.852 1.00 0.00 H new ATOM 0 HA THR A 64 -8.302 2.526 5.006 1.00 0.00 H new ATOM 0 HB THR A 64 -5.952 3.276 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.580 2.431 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.108 0.963 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.848 1.052 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.298 0.400 4.691 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.759 4.762 3.092 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.795 6.161 2.668 1.00 0.00 C ATOM 1023 C LEU A 65 -7.201 6.262 1.207 1.00 0.00 C ATOM 1024 O LEU A 65 -6.358 6.431 0.329 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.421 6.797 2.864 1.00 0.00 C ATOM 1026 CG LEU A 65 -5.059 6.786 4.354 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -3.580 7.146 4.521 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -5.923 7.803 5.122 1.00 0.00 C ATOM 0 H LEU A 65 -5.979 4.225 2.713 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.530 6.690 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.671 6.250 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.425 7.820 2.488 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.245 5.790 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.321 7.139 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.966 6.417 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.399 8.139 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.655 7.784 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.751 8.802 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.976 7.544 5.010 1.00 0.00 H new ATOM 1040 N SER A 66 -8.500 6.176 0.956 1.00 0.00 N ATOM 1041 CA SER A 66 -9.014 6.276 -0.407 1.00 0.00 C ATOM 1042 C SER A 66 -8.898 7.716 -0.918 1.00 0.00 C ATOM 1043 O SER A 66 -8.471 7.948 -2.051 1.00 0.00 O ATOM 1044 CB SER A 66 -10.490 5.819 -0.451 1.00 0.00 C ATOM 1045 OG SER A 66 -10.879 5.394 0.848 1.00 0.00 O ATOM 0 H SER A 66 -9.214 6.038 1.671 1.00 0.00 H new ATOM 0 HA SER A 66 -8.420 5.627 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.128 6.637 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.612 5.005 -1.166 1.00 0.00 H new ATOM 0 HG SER A 66 -11.815 5.104 0.831 1.00 0.00 H new ATOM 1051 N PRO A 67 -9.286 8.668 -0.112 1.00 0.00 N ATOM 1052 CA PRO A 67 -9.247 10.107 -0.488 1.00 0.00 C ATOM 1053 C PRO A 67 -7.871 10.717 -0.256 1.00 0.00 C ATOM 1054 O PRO A 67 -7.626 11.319 0.785 1.00 0.00 O ATOM 1055 CB PRO A 67 -10.301 10.747 0.423 1.00 0.00 C ATOM 1056 CG PRO A 67 -10.363 9.869 1.647 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.807 8.491 1.253 1.00 0.00 C ATOM 0 HA PRO A 67 -9.448 10.265 -1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.024 11.768 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.270 10.797 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.778 10.301 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.389 9.781 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.021 8.172 1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.585 7.728 1.283 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.984 10.560 -1.230 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.634 11.107 -1.122 1.00 0.00 C ATOM 1067 C CYS A 68 -5.598 12.551 -1.616 1.00 0.00 C ATOM 1068 O CYS A 68 -4.664 13.295 -1.319 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.663 10.258 -1.942 1.00 0.00 C ATOM 1070 SG CYS A 68 -4.683 8.557 -1.326 1.00 0.00 S ATOM 0 H CYS A 68 -7.171 10.062 -2.100 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.336 11.089 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.945 10.278 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.656 10.669 -1.873 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.799 8.336 -0.697 1.00 0.00 H new ATOM 1076 N LYS A 69 -6.620 12.936 -2.370 1.00 0.00 N ATOM 1077 CA LYS A 69 -6.696 14.291 -2.907 1.00 0.00 C ATOM 1078 C LYS A 69 -6.907 15.302 -1.785 1.00 0.00 C ATOM 1079 O LYS A 69 -6.908 16.511 -2.018 1.00 0.00 O ATOM 1080 CB LYS A 69 -7.837 14.396 -3.919 1.00 0.00 C ATOM 1081 CG LYS A 69 -7.500 13.559 -5.155 1.00 0.00 C ATOM 1082 CD LYS A 69 -8.637 13.672 -6.172 1.00 0.00 C ATOM 1083 CE LYS A 69 -8.282 12.871 -7.430 1.00 0.00 C ATOM 1084 NZ LYS A 69 -8.522 11.422 -7.177 1.00 0.00 N ATOM 0 H LYS A 69 -7.404 12.334 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.753 14.514 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.767 14.046 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.992 15.437 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.566 13.904 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.353 12.517 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.564 13.297 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.806 14.718 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.885 13.209 -8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.239 13.037 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.039 10.858 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.151 11.167 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.543 11.228 -7.210 1.00 0.00 H new ATOM 1098 N GLU A 70 -7.096 14.800 -0.569 1.00 0.00 N ATOM 1099 CA GLU A 70 -7.321 15.672 0.578 1.00 0.00 C ATOM 1100 C GLU A 70 -6.031 16.382 0.966 1.00 0.00 C ATOM 1101 O GLU A 70 -6.049 17.556 1.332 1.00 0.00 O ATOM 1102 CB GLU A 70 -7.827 14.848 1.765 1.00 0.00 C ATOM 1103 CG GLU A 70 -6.760 13.834 2.181 1.00 0.00 C ATOM 1104 CD GLU A 70 -7.322 12.888 3.236 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -8.416 13.147 3.714 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -6.651 11.920 3.551 1.00 0.00 O ATOM 0 H GLU A 70 -7.098 13.803 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.068 16.418 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.064 15.505 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.748 14.331 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.428 13.266 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.887 14.354 2.575 1.00 0.00 H new ATOM 1113 N HIS A 71 -4.910 15.667 0.882 1.00 0.00 N ATOM 1114 CA HIS A 71 -3.610 16.244 1.226 1.00 0.00 C ATOM 1115 C HIS A 71 -2.766 16.423 -0.024 1.00 0.00 C ATOM 1116 O HIS A 71 -2.561 15.481 -0.789 1.00 0.00 O ATOM 1117 CB HIS A 71 -2.880 15.324 2.217 1.00 0.00 C ATOM 1118 CG HIS A 71 -3.427 15.542 3.603 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -3.295 16.750 4.266 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -4.113 14.716 4.458 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -3.886 16.620 5.468 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -4.402 15.401 5.636 1.00 0.00 N ATOM 0 H HIS A 71 -4.875 14.693 0.581 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.769 17.219 1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.008 14.282 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.810 15.531 2.200 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.387 13.692 4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.936 17.406 6.207 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.901 15.047 6.452 1.00 0.00 H new ATOM 1130 N ASP A 72 -2.273 17.640 -0.230 1.00 0.00 N ATOM 1131 CA ASP A 72 -1.443 17.932 -1.389 1.00 0.00 C ATOM 1132 C ASP A 72 -0.162 17.107 -1.352 1.00 0.00 C ATOM 1133 O ASP A 72 0.314 16.639 -2.385 1.00 0.00 O ATOM 1134 CB ASP A 72 -1.096 19.425 -1.417 1.00 0.00 C ATOM 1135 CG ASP A 72 -2.318 20.241 -1.826 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -3.263 19.650 -2.323 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -2.291 21.445 -1.637 1.00 0.00 O ATOM 0 H ASP A 72 -2.434 18.435 0.388 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.000 17.672 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.749 19.744 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.280 19.603 -2.117 1.00 0.00 H new ATOM 1142 N VAL A 73 0.399 16.945 -0.157 1.00 0.00 N ATOM 1143 CA VAL A 73 1.635 16.182 -0.007 1.00 0.00 C ATOM 1144 C VAL A 73 1.436 14.752 -0.494 1.00 0.00 C ATOM 1145 O VAL A 73 2.240 14.234 -1.271 1.00 0.00 O ATOM 1146 CB VAL A 73 2.056 16.168 1.463 1.00 0.00 C ATOM 1147 CG1 VAL A 73 3.345 15.359 1.618 1.00 0.00 C ATOM 1148 CG2 VAL A 73 2.291 17.603 1.942 1.00 0.00 C ATOM 0 H VAL A 73 0.024 17.326 0.711 1.00 0.00 H new ATOM 0 HA VAL A 73 2.414 16.654 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 73 1.268 15.711 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.645 15.349 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.176 14.337 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.134 15.814 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.591 17.592 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.078 18.062 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.371 18.178 1.834 1.00 0.00 H new ATOM 1158 N ILE A 74 0.356 14.121 -0.049 1.00 0.00 N ATOM 1159 CA ILE A 74 0.052 12.755 -0.458 1.00 0.00 C ATOM 1160 C ILE A 74 -0.600 12.752 -1.831 1.00 0.00 C ATOM 1161 O ILE A 74 -0.443 11.802 -2.582 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.879 12.095 0.551 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -0.242 12.158 1.941 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -1.097 10.630 0.162 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -1.259 11.710 2.992 1.00 0.00 C ATOM 0 H ILE A 74 -0.322 14.532 0.593 1.00 0.00 H new ATOM 0 HA ILE A 74 0.985 12.192 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.836 12.616 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.640 11.518 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.092 13.174 2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.763 10.157 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.543 10.580 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.140 10.109 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.804 11.755 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.127 12.368 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.571 10.687 2.783 1.00 0.00 H new ATOM 1177 N GLY A 75 -1.342 13.815 -2.136 1.00 0.00 N ATOM 1178 CA GLY A 75 -2.023 13.929 -3.426 1.00 0.00 C ATOM 1179 C GLY A 75 -1.197 13.297 -4.539 1.00 0.00 C ATOM 1180 O GLY A 75 -1.663 12.391 -5.221 1.00 0.00 O ATOM 0 H GLY A 75 -1.487 14.608 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.997 13.443 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.203 14.979 -3.654 1.00 0.00 H new ATOM 1184 N THR A 76 0.032 13.776 -4.709 1.00 0.00 N ATOM 1185 CA THR A 76 0.919 13.242 -5.741 1.00 0.00 C ATOM 1186 C THR A 76 0.784 11.721 -5.845 1.00 0.00 C ATOM 1187 O THR A 76 1.000 11.124 -6.910 1.00 0.00 O ATOM 1188 CB THR A 76 2.369 13.609 -5.417 1.00 0.00 C ATOM 1189 OG1 THR A 76 2.455 15.003 -5.149 1.00 0.00 O ATOM 1190 CG2 THR A 76 3.259 13.263 -6.611 1.00 0.00 C ATOM 0 H THR A 76 0.436 14.528 -4.150 1.00 0.00 H new ATOM 0 HA THR A 76 0.635 13.680 -6.698 1.00 0.00 H new ATOM 0 HB THR A 76 2.701 13.050 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.383 15.239 -4.940 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.292 13.524 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.191 12.195 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.929 13.823 -7.486 1.00 0.00 H new ATOM 1198 N LYS A 77 0.426 11.097 -4.731 1.00 0.00 N ATOM 1199 CA LYS A 77 0.266 9.658 -4.696 1.00 0.00 C ATOM 1200 C LYS A 77 -0.820 9.222 -5.669 1.00 0.00 C ATOM 1201 O LYS A 77 -0.684 8.204 -6.344 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.094 9.191 -3.283 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.178 7.660 -3.236 1.00 0.00 C ATOM 1204 CD LYS A 77 1.197 7.048 -3.540 1.00 0.00 C ATOM 1205 CE LYS A 77 1.254 5.620 -3.017 1.00 0.00 C ATOM 1206 NZ LYS A 77 0.251 4.788 -3.736 1.00 0.00 N ATOM 0 H LYS A 77 0.242 11.567 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 77 1.213 9.204 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.655 9.543 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.048 9.624 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.520 7.337 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.911 7.306 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.380 7.059 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.982 7.646 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.253 5.209 -3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.054 5.605 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.444 3.781 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.703 5.023 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.311 4.977 -4.757 1.00 0.00 H new ATOM 1220 N VAL A 78 -1.897 9.984 -5.732 1.00 0.00 N ATOM 1221 CA VAL A 78 -2.997 9.653 -6.624 1.00 0.00 C ATOM 1222 C VAL A 78 -2.494 9.527 -8.064 1.00 0.00 C ATOM 1223 O VAL A 78 -2.931 8.649 -8.810 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.076 10.749 -6.541 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -3.676 11.955 -7.406 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.413 10.193 -7.041 1.00 0.00 C ATOM 0 H VAL A 78 -2.035 10.831 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.425 8.698 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.173 11.068 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.447 12.723 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.729 12.360 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.568 11.639 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.175 10.970 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.307 9.867 -8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.709 9.346 -6.422 1.00 0.00 H new ATOM 1236 N CYS A 79 -1.583 10.414 -8.442 1.00 0.00 N ATOM 1237 CA CYS A 79 -1.033 10.399 -9.790 1.00 0.00 C ATOM 1238 C CYS A 79 -0.213 9.132 -10.011 1.00 0.00 C ATOM 1239 O CYS A 79 -0.384 8.429 -11.012 1.00 0.00 O ATOM 1240 CB CYS A 79 -0.154 11.641 -10.010 1.00 0.00 C ATOM 1241 SG CYS A 79 -0.265 12.162 -11.743 1.00 0.00 S ATOM 0 H CYS A 79 -1.212 11.148 -7.839 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.855 10.413 -10.506 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.478 12.450 -9.355 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.881 11.417 -9.752 1.00 0.00 H new ATOM 0 HG CYS A 79 0.477 13.214 -11.928 1.00 0.00 H new ATOM 1247 N ALA A 80 0.672 8.845 -9.060 1.00 0.00 N ATOM 1248 CA ALA A 80 1.511 7.657 -9.155 1.00 0.00 C ATOM 1249 C ALA A 80 0.651 6.398 -9.117 1.00 0.00 C ATOM 1250 O ALA A 80 0.934 5.417 -9.804 1.00 0.00 O ATOM 1251 CB ALA A 80 2.518 7.631 -8.006 1.00 0.00 C ATOM 0 H ALA A 80 0.825 9.411 -8.226 1.00 0.00 H new ATOM 0 HA ALA A 80 2.051 7.688 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.139 6.739 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.149 8.519 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.985 7.617 -7.055 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.400 6.432 -8.306 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.289 5.291 -8.183 1.00 0.00 C ATOM 1259 C LEU A 81 -1.949 4.986 -9.521 1.00 0.00 C ATOM 1260 O LEU A 81 -2.027 3.830 -9.937 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.369 5.576 -7.130 1.00 0.00 C ATOM 1262 CG LEU A 81 -3.370 4.410 -7.076 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.625 3.102 -6.779 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -4.399 4.678 -5.977 1.00 0.00 C ATOM 0 H LEU A 81 -0.654 7.234 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.701 4.427 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.908 5.716 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.890 6.502 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.878 4.321 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.337 2.278 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.893 2.914 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.114 3.184 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.110 3.853 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.891 4.767 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.930 5.605 -6.194 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.433 6.027 -10.187 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.092 5.853 -11.478 1.00 0.00 C ATOM 1278 C LEU A 82 -2.116 5.280 -12.497 1.00 0.00 C ATOM 1279 O LEU A 82 -2.462 4.378 -13.262 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.619 7.201 -11.972 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.794 7.649 -11.091 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.074 9.135 -11.335 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -6.053 6.827 -11.424 1.00 0.00 C ATOM 0 H LEU A 82 -2.383 6.992 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.924 5.159 -11.358 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.824 7.946 -11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.940 7.119 -13.010 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.535 7.490 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.908 9.455 -10.711 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.188 9.718 -11.084 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.326 9.290 -12.384 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.879 7.154 -10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.317 6.974 -12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.856 5.770 -11.244 1.00 0.00 H new ATOM 1295 N ASP A 83 -0.897 5.806 -12.497 1.00 0.00 N ATOM 1296 CA ASP A 83 0.120 5.332 -13.426 1.00 0.00 C ATOM 1297 C ASP A 83 0.422 3.856 -13.178 1.00 0.00 C ATOM 1298 O ASP A 83 0.551 3.074 -14.120 1.00 0.00 O ATOM 1299 CB ASP A 83 1.400 6.155 -13.262 1.00 0.00 C ATOM 1300 CG ASP A 83 2.459 5.677 -14.250 1.00 0.00 C ATOM 1301 OD1 ASP A 83 2.235 4.661 -14.886 1.00 0.00 O ATOM 1302 OD2 ASP A 83 3.478 6.339 -14.360 1.00 0.00 O ATOM 0 H ASP A 83 -0.592 6.552 -11.872 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.256 5.448 -14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.187 7.211 -13.428 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.774 6.062 -12.242 1.00 0.00 H new ATOM 1307 N ARG A 84 0.537 3.486 -11.906 1.00 0.00 N ATOM 1308 CA ARG A 84 0.826 2.104 -11.549 1.00 0.00 C ATOM 1309 C ARG A 84 -0.358 1.202 -11.882 1.00 0.00 C ATOM 1310 O ARG A 84 -0.190 0.102 -12.410 1.00 0.00 O ATOM 1311 CB ARG A 84 1.139 2.004 -10.056 1.00 0.00 C ATOM 1312 CG ARG A 84 2.501 2.644 -9.777 1.00 0.00 C ATOM 1313 CD ARG A 84 2.795 2.583 -8.278 1.00 0.00 C ATOM 1314 NE ARG A 84 4.082 3.207 -7.991 1.00 0.00 N ATOM 1315 CZ ARG A 84 4.679 3.044 -6.815 1.00 0.00 C ATOM 1316 NH1 ARG A 84 4.115 2.313 -5.894 1.00 0.00 N ATOM 1317 NH2 ARG A 84 5.829 3.615 -6.582 1.00 0.00 N ATOM 0 H ARG A 84 0.435 4.119 -11.113 1.00 0.00 H new ATOM 0 HA ARG A 84 1.691 1.776 -12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.364 2.506 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.145 0.960 -9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.280 2.123 -10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.505 3.679 -10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.005 3.090 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.803 1.546 -7.944 1.00 0.00 H new ATOM 0 HE ARG A 84 4.532 3.779 -8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.216 1.867 -6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.573 2.187 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.270 4.187 -7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.287 3.490 -5.679 1.00 0.00 H new ATOM 1331 N LEU A 85 -1.557 1.679 -11.571 1.00 0.00 N ATOM 1332 CA LEU A 85 -2.761 0.910 -11.839 1.00 0.00 C ATOM 1333 C LEU A 85 -3.001 0.801 -13.344 1.00 0.00 C ATOM 1334 O LEU A 85 -3.736 -0.073 -13.805 1.00 0.00 O ATOM 1335 CB LEU A 85 -3.974 1.577 -11.171 1.00 0.00 C ATOM 1336 CG LEU A 85 -5.258 0.808 -11.519 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -5.112 -0.665 -11.102 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -6.443 1.434 -10.785 1.00 0.00 C ATOM 0 H LEU A 85 -1.719 2.588 -11.137 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.629 -0.091 -11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.836 1.600 -10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.059 2.611 -11.504 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.428 0.860 -12.594 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.025 -1.206 -11.351 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.270 -1.111 -11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.937 -0.723 -10.028 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.354 0.888 -11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.272 1.386 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.550 2.475 -11.089 1.00 0.00 H new ATOM 1350 N ALA A 86 -2.396 1.706 -14.105 1.00 0.00 N ATOM 1351 CA ALA A 86 -2.580 1.713 -15.549 1.00 0.00 C ATOM 1352 C ALA A 86 -2.176 0.372 -16.146 1.00 0.00 C ATOM 1353 O ALA A 86 -2.901 -0.196 -16.963 1.00 0.00 O ATOM 1354 CB ALA A 86 -1.730 2.823 -16.167 1.00 0.00 C ATOM 0 H ALA A 86 -1.780 2.437 -13.749 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.633 1.890 -15.766 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.868 2.828 -17.248 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.036 3.786 -15.758 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.679 2.648 -15.936 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.023 -0.134 -15.731 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.540 -1.416 -16.231 1.00 0.00 C ATOM 1362 C GLY A 87 0.808 -1.770 -15.618 1.00 0.00 C ATOM 1363 O GLY A 87 0.976 -2.843 -15.039 1.00 0.00 O ATOM 0 H GLY A 87 -0.408 0.318 -15.055 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.265 -2.197 -15.999 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.450 -1.376 -17.317 1.00 0.00 H new ATOM 1367 N ASP A 88 1.767 -0.859 -15.745 1.00 0.00 N ATOM 1368 CA ASP A 88 3.101 -1.089 -15.201 1.00 0.00 C ATOM 1369 C ASP A 88 3.068 -1.046 -13.682 1.00 0.00 C ATOM 1370 O ASP A 88 2.735 -0.027 -13.096 1.00 0.00 O ATOM 1371 CB ASP A 88 4.069 -0.026 -15.721 1.00 0.00 C ATOM 1372 CG ASP A 88 5.469 -0.281 -15.172 1.00 0.00 C ATOM 1373 OD1 ASP A 88 5.610 -1.171 -14.351 1.00 0.00 O ATOM 1374 OD2 ASP A 88 6.381 0.420 -15.580 1.00 0.00 O ATOM 0 H ASP A 88 1.648 0.038 -16.216 1.00 0.00 H new ATOM 0 HA ASP A 88 3.440 -2.074 -15.521 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.088 -0.042 -16.811 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.728 0.965 -15.423 1.00 0.00 H new ATOM 1379 N TYR A 89 3.417 -2.167 -13.051 1.00 0.00 N ATOM 1380 CA TYR A 89 3.421 -2.249 -11.587 1.00 0.00 C ATOM 1381 C TYR A 89 4.796 -2.666 -11.078 1.00 0.00 C ATOM 1382 O TYR A 89 5.476 -3.487 -11.691 1.00 0.00 O ATOM 1383 CB TYR A 89 2.376 -3.269 -11.125 1.00 0.00 C ATOM 1384 CG TYR A 89 2.727 -4.632 -11.672 1.00 0.00 C ATOM 1385 CD1 TYR A 89 3.691 -5.412 -11.028 1.00 0.00 C ATOM 1386 CD2 TYR A 89 2.086 -5.117 -12.817 1.00 0.00 C ATOM 1387 CE1 TYR A 89 4.016 -6.674 -11.523 1.00 0.00 C ATOM 1388 CE2 TYR A 89 2.411 -6.384 -13.316 1.00 0.00 C ATOM 1389 CZ TYR A 89 3.378 -7.163 -12.669 1.00 0.00 C ATOM 1390 OH TYR A 89 3.698 -8.414 -13.162 1.00 0.00 O ATOM 0 H TYR A 89 3.699 -3.026 -13.524 1.00 0.00 H new ATOM 0 HA TYR A 89 3.180 -1.266 -11.183 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.340 -3.301 -10.036 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.385 -2.972 -11.468 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.186 -5.036 -10.144 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.341 -4.515 -13.316 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.761 -7.275 -11.022 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.916 -6.760 -14.199 1.00 0.00 H new ATOM 0 HH TYR A 89 3.161 -8.598 -13.961 1.00 0.00 H new ATOM 1400 N VAL A 90 5.204 -2.078 -9.961 1.00 0.00 N ATOM 1401 CA VAL A 90 6.509 -2.379 -9.380 1.00 0.00 C ATOM 1402 C VAL A 90 6.689 -3.884 -9.245 1.00 0.00 C ATOM 1403 O VAL A 90 5.865 -4.565 -8.637 1.00 0.00 O ATOM 1404 CB VAL A 90 6.626 -1.726 -8.000 1.00 0.00 C ATOM 1405 CG1 VAL A 90 8.089 -1.716 -7.563 1.00 0.00 C ATOM 1406 CG2 VAL A 90 6.105 -0.289 -8.068 1.00 0.00 C ATOM 0 H VAL A 90 4.655 -1.394 -9.441 1.00 0.00 H new ATOM 0 HA VAL A 90 7.284 -1.984 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 90 6.035 -2.293 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.172 -1.251 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.461 -2.739 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.680 -1.150 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.189 0.175 -7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.694 0.278 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.060 -0.295 -8.379 1.00 0.00 H new ATOM 1416 N TYR A 91 7.774 -4.397 -9.819 1.00 0.00 N ATOM 1417 CA TYR A 91 8.048 -5.830 -9.768 1.00 0.00 C ATOM 1418 C TYR A 91 8.712 -6.192 -8.453 1.00 0.00 C ATOM 1419 O TYR A 91 9.373 -5.360 -7.838 1.00 0.00 O ATOM 1420 CB TYR A 91 8.964 -6.223 -10.929 1.00 0.00 C ATOM 1421 CG TYR A 91 8.550 -5.481 -12.181 1.00 0.00 C ATOM 1422 CD1 TYR A 91 7.196 -5.386 -12.535 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.524 -4.876 -12.984 1.00 0.00 C ATOM 1424 CE1 TYR A 91 6.819 -4.695 -13.685 1.00 0.00 C ATOM 1425 CE2 TYR A 91 9.144 -4.180 -14.139 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.791 -4.092 -14.488 1.00 0.00 C ATOM 1427 OH TYR A 91 7.414 -3.406 -15.625 1.00 0.00 O ATOM 0 H TYR A 91 8.472 -3.848 -10.320 1.00 0.00 H new ATOM 0 HA TYR A 91 7.105 -6.370 -9.849 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.000 -5.990 -10.682 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.911 -7.298 -11.098 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.443 -5.850 -11.914 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.567 -4.946 -12.713 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.776 -4.625 -13.956 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.894 -3.712 -14.759 1.00 0.00 H new ATOM 0 HH TYR A 91 6.830 -2.659 -15.378 1.00 0.00 H new ATOM 1437 N LEU A 92 8.538 -7.439 -8.034 1.00 0.00 N ATOM 1438 CA LEU A 92 9.132 -7.915 -6.790 1.00 0.00 C ATOM 1439 C LEU A 92 9.906 -9.201 -7.026 1.00 0.00 C ATOM 1440 O LEU A 92 9.392 -10.137 -7.633 1.00 0.00 O ATOM 1441 CB LEU A 92 8.039 -8.150 -5.754 1.00 0.00 C ATOM 1442 CG LEU A 92 8.680 -8.588 -4.411 1.00 0.00 C ATOM 1443 CD1 LEU A 92 7.997 -7.869 -3.251 1.00 0.00 C ATOM 1444 CD2 LEU A 92 8.521 -10.105 -4.233 1.00 0.00 C ATOM 0 H LEU A 92 7.991 -8.139 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 92 9.823 -7.157 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.458 -7.239 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.349 -8.917 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 92 9.739 -8.331 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.452 -8.181 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.114 -6.792 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.936 -8.120 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.972 -10.410 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.462 -10.362 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.016 -10.622 -5.055 1.00 0.00 H new ATOM 1456 N PHE A 93 11.147 -9.241 -6.541 1.00 0.00 N ATOM 1457 CA PHE A 93 11.994 -10.425 -6.704 1.00 0.00 C ATOM 1458 C PHE A 93 12.538 -10.886 -5.356 1.00 0.00 C ATOM 1459 O PHE A 93 12.642 -10.102 -4.415 1.00 0.00 O ATOM 1460 CB PHE A 93 13.156 -10.104 -7.642 1.00 0.00 C ATOM 1461 CG PHE A 93 12.623 -9.847 -9.032 1.00 0.00 C ATOM 1462 CD1 PHE A 93 12.284 -10.924 -9.860 1.00 0.00 C ATOM 1463 CD2 PHE A 93 12.469 -8.536 -9.495 1.00 0.00 C ATOM 1464 CE1 PHE A 93 11.792 -10.688 -11.151 1.00 0.00 C ATOM 1465 CE2 PHE A 93 11.977 -8.299 -10.784 1.00 0.00 C ATOM 1466 CZ PHE A 93 11.639 -9.376 -11.612 1.00 0.00 C ATOM 0 H PHE A 93 11.587 -8.473 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 93 11.391 -11.226 -7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.698 -9.230 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.863 -10.933 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.402 -11.937 -9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.730 -7.705 -8.857 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.531 -11.519 -11.790 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.858 -7.286 -11.139 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.260 -9.194 -12.607 1.00 0.00 H new ATOM 1476 N ASP A 94 12.882 -12.167 -5.272 1.00 0.00 N ATOM 1477 CA ASP A 94 13.409 -12.728 -4.034 1.00 0.00 C ATOM 1478 C ASP A 94 14.837 -12.247 -3.799 1.00 0.00 C ATOM 1479 O ASP A 94 15.375 -11.459 -4.580 1.00 0.00 O ATOM 1480 CB ASP A 94 13.391 -14.256 -4.103 1.00 0.00 C ATOM 1481 CG ASP A 94 13.659 -14.842 -2.722 1.00 0.00 C ATOM 1482 OD1 ASP A 94 13.421 -14.145 -1.747 1.00 0.00 O ATOM 1483 OD2 ASP A 94 14.101 -15.977 -2.657 1.00 0.00 O ATOM 0 H ASP A 94 12.806 -12.832 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 94 12.781 -12.395 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.425 -14.600 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.145 -14.606 -4.808 1.00 0.00 H new ATOM 1488 N GLU A 95 15.442 -12.713 -2.712 1.00 0.00 N ATOM 1489 CA GLU A 95 16.803 -12.312 -2.379 1.00 0.00 C ATOM 1490 C GLU A 95 17.805 -13.010 -3.295 1.00 0.00 C ATOM 1491 O GLU A 95 18.883 -13.415 -2.862 1.00 0.00 O ATOM 1492 CB GLU A 95 17.108 -12.661 -0.917 1.00 0.00 C ATOM 1493 CG GLU A 95 18.294 -11.829 -0.422 1.00 0.00 C ATOM 1494 CD GLU A 95 17.872 -10.376 -0.253 1.00 0.00 C ATOM 1495 OE1 GLU A 95 16.694 -10.098 -0.406 1.00 0.00 O ATOM 1496 OE2 GLU A 95 18.734 -9.557 0.025 1.00 0.00 O ATOM 0 H GLU A 95 15.016 -13.363 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 95 16.891 -11.235 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.232 -12.468 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.334 -13.723 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.656 -12.224 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.119 -11.897 -1.131 1.00 0.00 H new ATOM 1503 N GLY A 96 17.442 -13.150 -4.562 1.00 0.00 N ATOM 1504 CA GLY A 96 18.319 -13.802 -5.529 1.00 0.00 C ATOM 1505 C GLY A 96 17.992 -13.353 -6.947 1.00 0.00 C ATOM 1506 O GLY A 96 18.845 -12.806 -7.647 1.00 0.00 O ATOM 0 H GLY A 96 16.554 -12.824 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.358 -13.568 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.212 -14.884 -5.452 1.00 0.00 H new ATOM 1510 N GLY A 97 16.752 -13.586 -7.368 1.00 0.00 N ATOM 1511 CA GLY A 97 16.326 -13.199 -8.708 1.00 0.00 C ATOM 1512 C GLY A 97 15.032 -13.907 -9.092 1.00 0.00 C ATOM 1513 O GLY A 97 14.230 -13.379 -9.861 1.00 0.00 O ATOM 0 H GLY A 97 16.030 -14.037 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.181 -12.119 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.107 -13.444 -9.428 1.00 0.00 H new ATOM 1517 N ASP A 98 14.834 -15.103 -8.548 1.00 0.00 N ATOM 1518 CA ASP A 98 13.630 -15.873 -8.840 1.00 0.00 C ATOM 1519 C ASP A 98 12.395 -15.167 -8.292 1.00 0.00 C ATOM 1520 O ASP A 98 12.428 -14.596 -7.203 1.00 0.00 O ATOM 1521 CB ASP A 98 13.742 -17.269 -8.223 1.00 0.00 C ATOM 1522 CG ASP A 98 14.757 -18.101 -8.996 1.00 0.00 C ATOM 1523 OD1 ASP A 98 15.121 -17.695 -10.088 1.00 0.00 O ATOM 1524 OD2 ASP A 98 15.156 -19.136 -8.488 1.00 0.00 O ATOM 0 H ASP A 98 15.485 -15.557 -7.908 1.00 0.00 H new ATOM 0 HA ASP A 98 13.531 -15.962 -9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.044 -17.191 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.770 -17.761 -8.238 1.00 0.00 H new ATOM 1529 N GLU A 99 11.307 -15.206 -9.058 1.00 0.00 N ATOM 1530 CA GLU A 99 10.073 -14.557 -8.634 1.00 0.00 C ATOM 1531 C GLU A 99 9.353 -15.405 -7.595 1.00 0.00 C ATOM 1532 O GLU A 99 8.502 -16.228 -7.931 1.00 0.00 O ATOM 1533 CB GLU A 99 9.156 -14.346 -9.844 1.00 0.00 C ATOM 1534 CG GLU A 99 9.785 -13.322 -10.790 1.00 0.00 C ATOM 1535 CD GLU A 99 8.887 -13.114 -12.004 1.00 0.00 C ATOM 1536 OE1 GLU A 99 7.844 -13.744 -12.060 1.00 0.00 O ATOM 1537 OE2 GLU A 99 9.254 -12.325 -12.859 1.00 0.00 O ATOM 0 H GLU A 99 11.256 -15.674 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 99 10.323 -13.593 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.001 -15.291 -10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.176 -13.999 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.932 -12.376 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.769 -13.666 -11.110 1.00 0.00 H new ATOM 1544 N VAL A 100 9.693 -15.193 -6.326 1.00 0.00 N ATOM 1545 CA VAL A 100 9.069 -15.936 -5.237 1.00 0.00 C ATOM 1546 C VAL A 100 9.027 -15.097 -3.966 1.00 0.00 C ATOM 1547 O VAL A 100 10.020 -14.469 -3.595 1.00 0.00 O ATOM 1548 CB VAL A 100 9.847 -17.229 -4.977 1.00 0.00 C ATOM 1549 CG1 VAL A 100 9.264 -17.939 -3.755 1.00 0.00 C ATOM 1550 CG2 VAL A 100 9.736 -18.145 -6.199 1.00 0.00 C ATOM 0 H VAL A 100 10.395 -14.515 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 100 8.047 -16.179 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 100 10.895 -16.991 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.818 -18.859 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 100 9.342 -17.288 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.216 -18.177 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.290 -19.066 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.688 -18.382 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.151 -17.640 -7.071 1.00 0.00 H new ATOM 1560 N ILE A 101 7.877 -15.089 -3.301 1.00 0.00 N ATOM 1561 CA ILE A 101 7.723 -14.322 -2.072 1.00 0.00 C ATOM 1562 C ILE A 101 8.522 -14.964 -0.944 1.00 0.00 C ATOM 1563 O ILE A 101 8.461 -16.176 -0.737 1.00 0.00 O ATOM 1564 CB ILE A 101 6.247 -14.263 -1.679 1.00 0.00 C ATOM 1565 CG1 ILE A 101 5.454 -13.569 -2.789 1.00 0.00 C ATOM 1566 CG2 ILE A 101 6.098 -13.472 -0.378 1.00 0.00 C ATOM 1567 CD1 ILE A 101 3.957 -13.782 -2.554 1.00 0.00 C ATOM 0 H ILE A 101 7.044 -15.601 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 101 8.096 -13.312 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 101 5.867 -15.275 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.683 -12.503 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.741 -13.970 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.046 -13.429 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.665 -13.962 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.476 -12.460 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.391 -13.288 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.736 -14.849 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.677 -13.360 -1.589 1.00 0.00 H new ATOM 1579 N ALA A 102 9.277 -14.141 -0.222 1.00 0.00 N ATOM 1580 CA ALA A 102 10.087 -14.642 0.882 1.00 0.00 C ATOM 1581 C ALA A 102 10.305 -13.548 1.929 1.00 0.00 C ATOM 1582 O ALA A 102 9.991 -12.378 1.698 1.00 0.00 O ATOM 1583 CB ALA A 102 11.448 -15.141 0.342 1.00 0.00 C ATOM 0 H ALA A 102 9.344 -13.135 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 102 9.562 -15.471 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.052 -15.515 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.282 -15.942 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.970 -14.318 -0.145 1.00 0.00 H new ATOM 1589 N PRO A 103 10.857 -13.910 3.060 1.00 0.00 N ATOM 1590 CA PRO A 103 11.143 -12.941 4.155 1.00 0.00 C ATOM 1591 C PRO A 103 11.880 -11.704 3.655 1.00 0.00 C ATOM 1592 O PRO A 103 11.613 -10.593 4.108 1.00 0.00 O ATOM 1593 CB PRO A 103 12.030 -13.744 5.124 1.00 0.00 C ATOM 1594 CG PRO A 103 11.668 -15.175 4.890 1.00 0.00 C ATOM 1595 CD PRO A 103 11.261 -15.283 3.423 1.00 0.00 C ATOM 0 HA PRO A 103 10.229 -12.561 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.088 -13.568 4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.845 -13.455 6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.512 -15.830 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.851 -15.481 5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.088 -15.632 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.441 -15.989 3.287 1.00 0.00 H new ATOM 1603 N ARG A 104 12.813 -11.905 2.725 1.00 0.00 N ATOM 1604 CA ARG A 104 13.591 -10.791 2.174 1.00 0.00 C ATOM 1605 C ARG A 104 13.478 -10.768 0.654 1.00 0.00 C ATOM 1606 O ARG A 104 13.733 -11.770 -0.013 1.00 0.00 O ATOM 1607 CB ARG A 104 15.056 -10.942 2.575 1.00 0.00 C ATOM 1608 CG ARG A 104 15.180 -10.813 4.093 1.00 0.00 C ATOM 1609 CD ARG A 104 16.614 -11.118 4.512 1.00 0.00 C ATOM 1610 NE ARG A 104 17.539 -10.179 3.882 1.00 0.00 N ATOM 1611 CZ ARG A 104 17.792 -8.992 4.424 1.00 0.00 C ATOM 1612 NH1 ARG A 104 17.211 -8.647 5.540 1.00 0.00 N ATOM 1613 NH2 ARG A 104 18.621 -8.170 3.838 1.00 0.00 N ATOM 0 H ARG A 104 13.049 -12.819 2.339 1.00 0.00 H new ATOM 0 HA ARG A 104 13.197 -9.856 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 104 15.436 -11.910 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 104 15.660 -10.180 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.904 -9.806 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.492 -11.500 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.704 -11.055 5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 104 16.873 -12.138 4.230 1.00 0.00 H new ATOM 0 HE ARG A 104 17.999 -10.439 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.562 -9.288 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.405 -7.736 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.074 -8.439 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 104 18.815 -7.259 4.254 1.00 0.00 H new ATOM 1627 N MET A 105 13.088 -9.620 0.114 1.00 0.00 N ATOM 1628 CA MET A 105 12.939 -9.472 -1.332 1.00 0.00 C ATOM 1629 C MET A 105 13.198 -8.031 -1.742 1.00 0.00 C ATOM 1630 O MET A 105 13.228 -7.132 -0.901 1.00 0.00 O ATOM 1631 CB MET A 105 11.521 -9.890 -1.759 1.00 0.00 C ATOM 1632 CG MET A 105 10.527 -9.527 -0.654 1.00 0.00 C ATOM 1633 SD MET A 105 10.644 -7.759 -0.291 1.00 0.00 S ATOM 1634 CE MET A 105 9.138 -7.633 0.702 1.00 0.00 C ATOM 0 H MET A 105 12.870 -8.781 0.651 1.00 0.00 H new ATOM 0 HA MET A 105 13.666 -10.116 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.247 -9.390 -2.688 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.489 -10.962 -1.953 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.513 -9.778 -0.966 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.738 -10.108 0.244 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.971 -6.592 0.979 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.289 -7.995 0.122 1.00 0.00 H new ATOM 0 HE3 MET A 105 9.245 -8.236 1.604 1.00 0.00 H new ATOM 1644 N TYR A 106 13.377 -7.814 -3.043 1.00 0.00 N ATOM 1645 CA TYR A 106 13.625 -6.474 -3.567 1.00 0.00 C ATOM 1646 C TYR A 106 12.453 -6.013 -4.425 1.00 0.00 C ATOM 1647 O TYR A 106 12.139 -6.624 -5.444 1.00 0.00 O ATOM 1648 CB TYR A 106 14.905 -6.475 -4.403 1.00 0.00 C ATOM 1649 CG TYR A 106 15.106 -5.106 -5.014 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.271 -3.985 -4.186 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.129 -4.953 -6.408 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.455 -2.719 -4.749 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.316 -3.686 -6.971 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.479 -2.569 -6.141 1.00 0.00 C ATOM 1655 OH TYR A 106 15.661 -1.320 -6.695 1.00 0.00 O ATOM 0 H TYR A 106 13.355 -8.547 -3.752 1.00 0.00 H new ATOM 0 HA TYR A 106 13.739 -5.787 -2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 106 15.760 -6.736 -3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.840 -7.229 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.256 -4.101 -3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.002 -5.814 -7.047 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.579 -1.857 -4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.335 -3.569 -8.044 1.00 0.00 H new ATOM 0 HH TYR A 106 15.653 -1.391 -7.672 1.00 0.00 H new ATOM 1665 N CYS A 107 11.813 -4.923 -4.003 1.00 0.00 N ATOM 1666 CA CYS A 107 10.676 -4.369 -4.734 1.00 0.00 C ATOM 1667 C CYS A 107 11.082 -3.106 -5.486 1.00 0.00 C ATOM 1668 O CYS A 107 11.569 -2.145 -4.891 1.00 0.00 O ATOM 1669 CB CYS A 107 9.534 -4.054 -3.767 1.00 0.00 C ATOM 1670 SG CYS A 107 9.931 -2.565 -2.814 1.00 0.00 S ATOM 0 H CYS A 107 12.063 -4.407 -3.159 1.00 0.00 H new ATOM 0 HA CYS A 107 10.339 -5.111 -5.458 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.607 -3.906 -4.321 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.373 -4.896 -3.094 1.00 0.00 H new ATOM 0 HG CYS A 107 10.927 -1.944 -3.374 1.00 0.00 H new ATOM 1676 N SER A 108 10.879 -3.118 -6.796 1.00 0.00 N ATOM 1677 CA SER A 108 11.221 -1.962 -7.618 1.00 0.00 C ATOM 1678 C SER A 108 10.713 -2.147 -9.047 1.00 0.00 C ATOM 1679 O SER A 108 10.323 -3.248 -9.442 1.00 0.00 O ATOM 1680 CB SER A 108 12.731 -1.754 -7.632 1.00 0.00 C ATOM 1681 OG SER A 108 13.043 -0.608 -8.415 1.00 0.00 O ATOM 0 H SER A 108 10.484 -3.906 -7.310 1.00 0.00 H new ATOM 0 HA SER A 108 10.742 -1.083 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.101 -1.625 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.227 -2.634 -8.042 1.00 0.00 H new ATOM 0 HG SER A 108 14.014 -0.472 -8.424 1.00 0.00 H new ATOM 1687 N PHE A 109 10.720 -1.065 -9.816 1.00 0.00 N ATOM 1688 CA PHE A 109 10.259 -1.122 -11.198 1.00 0.00 C ATOM 1689 C PHE A 109 11.280 -1.840 -12.073 1.00 0.00 C ATOM 1690 O PHE A 109 10.932 -2.413 -13.103 1.00 0.00 O ATOM 1691 CB PHE A 109 10.030 0.293 -11.732 1.00 0.00 C ATOM 1692 CG PHE A 109 11.305 1.094 -11.601 1.00 0.00 C ATOM 1693 CD1 PHE A 109 12.248 1.083 -12.636 1.00 0.00 C ATOM 1694 CD2 PHE A 109 11.543 1.845 -10.445 1.00 0.00 C ATOM 1695 CE1 PHE A 109 13.429 1.825 -12.513 1.00 0.00 C ATOM 1696 CE2 PHE A 109 12.722 2.586 -10.323 1.00 0.00 C ATOM 1697 CZ PHE A 109 13.666 2.577 -11.357 1.00 0.00 C ATOM 0 H PHE A 109 11.037 -0.145 -9.510 1.00 0.00 H new ATOM 0 HA PHE A 109 9.320 -1.675 -11.226 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.719 0.253 -12.776 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.226 0.777 -11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.065 0.503 -13.528 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.816 1.852 -9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 109 14.157 1.817 -13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 109 12.905 3.166 -9.430 1.00 0.00 H new ATOM 0 HZ PHE A 109 14.576 3.150 -11.262 1.00 0.00 H new ATOM 1707 N SER A 110 12.540 -1.803 -11.655 1.00 0.00 N ATOM 1708 CA SER A 110 13.613 -2.456 -12.405 1.00 0.00 C ATOM 1709 C SER A 110 13.880 -3.846 -11.850 1.00 0.00 C ATOM 1710 O SER A 110 13.378 -4.211 -10.788 1.00 0.00 O ATOM 1711 CB SER A 110 14.887 -1.621 -12.335 1.00 0.00 C ATOM 1712 OG SER A 110 15.153 -1.284 -10.979 1.00 0.00 O ATOM 0 H SER A 110 12.846 -1.330 -10.804 1.00 0.00 H new ATOM 0 HA SER A 110 13.300 -2.546 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.725 -2.178 -12.754 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.776 -0.716 -12.932 1.00 0.00 H new ATOM 0 HG SER A 110 15.972 -0.748 -10.930 1.00 0.00 H new ATOM 1718 N ALA A 111 14.683 -4.622 -12.571 1.00 0.00 N ATOM 1719 CA ALA A 111 15.017 -5.976 -12.138 1.00 0.00 C ATOM 1720 C ALA A 111 16.388 -5.991 -11.451 1.00 0.00 C ATOM 1721 O ALA A 111 17.187 -5.066 -11.610 1.00 0.00 O ATOM 1722 CB ALA A 111 15.032 -6.925 -13.357 1.00 0.00 C ATOM 0 H ALA A 111 15.112 -4.340 -13.452 1.00 0.00 H new ATOM 0 HA ALA A 111 14.264 -6.314 -11.426 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.282 -7.934 -13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 111 14.049 -6.929 -13.827 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.776 -6.582 -14.076 1.00 0.00 H new ATOM 1728 N PRO A 112 16.663 -7.028 -10.707 1.00 0.00 N ATOM 1729 CA PRO A 112 17.964 -7.185 -9.991 1.00 0.00 C ATOM 1730 C PRO A 112 19.127 -7.388 -10.955 1.00 0.00 C ATOM 1731 O PRO A 112 20.281 -7.153 -10.606 1.00 0.00 O ATOM 1732 CB PRO A 112 17.746 -8.425 -9.106 1.00 0.00 C ATOM 1733 CG PRO A 112 16.656 -9.200 -9.779 1.00 0.00 C ATOM 1734 CD PRO A 112 15.766 -8.170 -10.469 1.00 0.00 C ATOM 0 HA PRO A 112 18.230 -6.296 -9.419 1.00 0.00 H new ATOM 0 HB2 PRO A 112 18.658 -9.017 -9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 112 17.460 -8.141 -8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 112 17.068 -9.905 -10.501 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.088 -9.782 -9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.356 -8.557 -11.402 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.920 -7.889 -9.842 1.00 0.00 H new ATOM 1742 N ASP A 113 18.816 -7.835 -12.170 1.00 0.00 N ATOM 1743 CA ASP A 113 19.845 -8.070 -13.177 1.00 0.00 C ATOM 1744 C ASP A 113 19.287 -7.831 -14.572 1.00 0.00 C ATOM 1745 O ASP A 113 19.182 -8.758 -15.376 1.00 0.00 O ATOM 1746 CB ASP A 113 20.362 -9.506 -13.072 1.00 0.00 C ATOM 1747 CG ASP A 113 21.482 -9.731 -14.082 1.00 0.00 C ATOM 1748 OD1 ASP A 113 22.493 -9.054 -13.978 1.00 0.00 O ATOM 1749 OD2 ASP A 113 21.314 -10.575 -14.946 1.00 0.00 O ATOM 0 H ASP A 113 17.866 -8.040 -12.478 1.00 0.00 H new ATOM 0 HA ASP A 113 20.667 -7.376 -13.000 1.00 0.00 H new ATOM 0 HB2 ASP A 113 20.727 -9.697 -12.063 1.00 0.00 H new ATOM 0 HB3 ASP A 113 19.549 -10.209 -13.255 1.00 0.00 H new ATOM 1754 N ASP A 114 18.928 -6.583 -14.853 1.00 0.00 N ATOM 1755 CA ASP A 114 18.380 -6.229 -16.161 1.00 0.00 C ATOM 1756 C ASP A 114 19.136 -6.946 -17.280 1.00 0.00 C ATOM 1757 O ASP A 114 19.907 -6.294 -17.968 1.00 0.00 O ATOM 1758 CB ASP A 114 18.469 -4.716 -16.373 1.00 0.00 C ATOM 1759 CG ASP A 114 19.927 -4.265 -16.330 1.00 0.00 C ATOM 1760 OD1 ASP A 114 20.773 -5.093 -16.042 1.00 0.00 O ATOM 1761 OD2 ASP A 114 20.173 -3.098 -16.589 1.00 0.00 O ATOM 0 H ASP A 114 19.005 -5.804 -14.199 1.00 0.00 H new ATOM 0 HA ASP A 114 17.336 -6.541 -16.189 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.026 -4.449 -17.332 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.897 -4.199 -15.602 1.00 0.00 H new TER 1766 ASP A 114