USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 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 14 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.00528) USER MOD Set 1.2: A 15 TYR OH : rot -15:sc= 1.05 USER MOD Set 2.1: A 13 TYR OH : rot -16:sc= 1.11 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -160:sc= 1.88 (180deg=1.06) USER MOD Set 3.1: A 1 MET N :NH3+ -164:sc= 2.42 (180deg=-0.104) USER MOD Set 3.2: A 3 GLN : amide:sc= 2.01 K(o=8.6,f=-17!) USER MOD Set 3.3: A 60 GLN : amide:sc= 3.3 K(o=8.6,f=-5.9) USER MOD Set 3.4: A 65 GLN : amide:sc= 0.901 K(o=8.6,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.799) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.967) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.01) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 1.09 (180deg=0.954) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= 0.262 F(o=-0.24,f=0.26) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 1.02 (180deg=0.779) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0.973 (180deg=0.955) USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.986) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.86 K(o=1.9,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.997 -41.892 -5.066 1.00 0.00 N ATOM 2 CA MET A 1 18.588 -42.867 -4.059 1.00 0.00 C ATOM 3 C MET A 1 17.464 -43.808 -4.546 1.00 0.00 C ATOM 4 O MET A 1 17.704 -45.007 -4.699 1.00 0.00 O ATOM 5 CB MET A 1 18.158 -42.116 -2.765 1.00 0.00 C ATOM 6 CG MET A 1 19.231 -41.212 -2.098 1.00 0.00 C ATOM 7 SD MET A 1 20.704 -42.086 -1.501 1.00 0.00 S ATOM 8 CE MET A 1 22.004 -41.371 -2.541 1.00 0.00 C ATOM 0 H1 MET A 1 19.913 -41.478 -4.797 1.00 0.00 H new ATOM 0 H2 MET A 1 19.088 -42.363 -5.989 1.00 0.00 H new ATOM 0 H3 MET A 1 18.283 -41.139 -5.130 1.00 0.00 H new ATOM 0 HA MET A 1 19.445 -43.508 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.291 -41.499 -3.001 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.833 -42.856 -2.033 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.543 -40.453 -2.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.773 -40.688 -1.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.964 -41.817 -2.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.782 -41.571 -3.589 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.049 -40.294 -2.378 1.00 0.00 H new ATOM 20 N LEU A 2 16.262 -43.308 -4.873 1.00 0.00 N ATOM 21 CA LEU A 2 15.094 -44.135 -5.217 1.00 0.00 C ATOM 22 C LEU A 2 15.083 -44.676 -6.674 1.00 0.00 C ATOM 23 O LEU A 2 14.032 -44.794 -7.316 1.00 0.00 O ATOM 24 CB LEU A 2 13.815 -43.296 -4.904 1.00 0.00 C ATOM 25 CG LEU A 2 13.561 -42.973 -3.409 1.00 0.00 C ATOM 26 CD1 LEU A 2 12.399 -41.977 -3.294 1.00 0.00 C ATOM 27 CD2 LEU A 2 13.194 -44.222 -2.585 1.00 0.00 C ATOM 0 H LEU A 2 16.071 -42.307 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 2 15.133 -45.040 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 2 13.878 -42.356 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.949 -43.833 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 2 14.489 -42.560 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.218 -41.748 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.652 -41.060 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.501 -42.414 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.027 -43.937 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.286 -44.670 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 2 14.009 -44.944 -2.636 1.00 0.00 H new ATOM 39 N GLN A 3 16.256 -45.109 -7.163 1.00 0.00 N ATOM 40 CA GLN A 3 16.498 -45.475 -8.568 1.00 0.00 C ATOM 41 C GLN A 3 15.637 -46.663 -9.051 1.00 0.00 C ATOM 42 O GLN A 3 15.063 -46.634 -10.144 1.00 0.00 O ATOM 43 CB GLN A 3 18.008 -45.804 -8.791 1.00 0.00 C ATOM 44 CG GLN A 3 19.060 -44.809 -8.203 1.00 0.00 C ATOM 45 CD GLN A 3 18.863 -43.346 -8.608 1.00 0.00 C ATOM 46 OE1 GLN A 3 18.869 -42.460 -7.759 1.00 0.00 O ATOM 47 NE2 GLN A 3 18.707 -42.992 -9.869 1.00 0.00 N ATOM 0 H GLN A 3 17.084 -45.217 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 3 16.207 -44.607 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 3 18.203 -46.789 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.180 -45.879 -9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.033 -44.876 -7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 3 20.054 -45.127 -8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.697 -43.703 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 3 18.596 -42.008 -10.112 1.00 0.00 H new ATOM 56 N LYS A 4 15.544 -47.690 -8.193 1.00 0.00 N ATOM 57 CA LYS A 4 14.694 -48.866 -8.390 1.00 0.00 C ATOM 58 C LYS A 4 13.189 -48.519 -8.471 1.00 0.00 C ATOM 59 O LYS A 4 12.442 -49.138 -9.233 1.00 0.00 O ATOM 60 CB LYS A 4 14.992 -49.856 -7.225 1.00 0.00 C ATOM 61 CG LYS A 4 14.289 -51.233 -7.328 1.00 0.00 C ATOM 62 CD LYS A 4 14.864 -52.139 -8.446 1.00 0.00 C ATOM 63 CE LYS A 4 13.971 -53.343 -8.751 1.00 0.00 C ATOM 64 NZ LYS A 4 12.819 -52.876 -9.518 1.00 0.00 N ATOM 0 H LYS A 4 16.073 -47.723 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 4 14.927 -49.321 -9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.069 -50.019 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.698 -49.386 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.377 -51.749 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.226 -51.076 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.994 -51.550 -9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.852 -52.491 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.525 -54.093 -9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.644 -53.818 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.317 -53.692 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.176 -52.350 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.142 -52.253 -10.285 1.00 0.00 H new ATOM 78 N LYS A 5 12.743 -47.519 -7.699 1.00 0.00 N ATOM 79 CA LYS A 5 11.370 -47.018 -7.730 1.00 0.00 C ATOM 80 C LYS A 5 11.023 -46.221 -9.004 1.00 0.00 C ATOM 81 O LYS A 5 9.910 -46.409 -9.501 1.00 0.00 O ATOM 82 CB LYS A 5 11.084 -46.231 -6.432 1.00 0.00 C ATOM 83 CG LYS A 5 10.724 -47.141 -5.234 1.00 0.00 C ATOM 84 CD LYS A 5 9.213 -47.478 -5.231 1.00 0.00 C ATOM 85 CE LYS A 5 8.802 -48.518 -4.189 1.00 0.00 C ATOM 86 NZ LYS A 5 9.148 -49.840 -4.700 1.00 0.00 N ATOM 0 H LYS A 5 13.337 -47.032 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 5 10.703 -47.879 -7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.960 -45.634 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.265 -45.535 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.306 -48.061 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.992 -46.644 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.649 -46.562 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.932 -47.841 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.312 -48.331 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.732 -48.455 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.620 -50.565 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.902 -49.897 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.169 -50.001 -4.582 1.00 0.00 H new ATOM 100 N ILE A 6 11.900 -45.361 -9.568 1.00 0.00 N ATOM 101 CA ILE A 6 11.682 -44.815 -10.929 1.00 0.00 C ATOM 102 C ILE A 6 11.649 -45.954 -11.964 1.00 0.00 C ATOM 103 O ILE A 6 10.748 -45.968 -12.802 1.00 0.00 O ATOM 104 CB ILE A 6 12.676 -43.684 -11.403 1.00 0.00 C ATOM 105 CG1 ILE A 6 12.599 -42.417 -10.528 1.00 0.00 C ATOM 106 CG2 ILE A 6 12.451 -43.209 -12.886 1.00 0.00 C ATOM 107 CD1 ILE A 6 13.539 -42.419 -9.317 1.00 0.00 C ATOM 0 H ILE A 6 12.752 -45.034 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 6 10.716 -44.314 -10.859 1.00 0.00 H new ATOM 0 HB ILE A 6 13.650 -44.166 -11.315 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.827 -41.549 -11.147 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.575 -42.296 -10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.174 -42.431 -13.133 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.582 -44.054 -13.562 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.441 -42.812 -12.992 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.417 -41.490 -8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.299 -43.263 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 6 14.571 -42.505 -9.658 1.00 0.00 H new ATOM 119 N GLU A 7 12.586 -46.916 -11.889 1.00 0.00 N ATOM 120 CA GLU A 7 12.582 -48.111 -12.738 1.00 0.00 C ATOM 121 C GLU A 7 11.282 -48.931 -12.596 1.00 0.00 C ATOM 122 O GLU A 7 10.734 -49.318 -13.618 1.00 0.00 O ATOM 123 CB GLU A 7 13.864 -48.939 -12.429 1.00 0.00 C ATOM 124 CG GLU A 7 14.164 -50.181 -13.342 1.00 0.00 C ATOM 125 CD GLU A 7 13.391 -51.458 -12.982 1.00 0.00 C ATOM 126 OE1 GLU A 7 13.330 -51.820 -11.802 1.00 0.00 O ATOM 127 OE2 GLU A 7 12.866 -52.093 -13.890 1.00 0.00 O ATOM 0 H GLU A 7 13.368 -46.882 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 7 12.601 -47.812 -13.786 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.720 -48.266 -12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.799 -49.287 -11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.936 -49.916 -14.375 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.232 -50.396 -13.296 1.00 0.00 H new ATOM 134 N GLU A 8 10.745 -49.218 -11.404 1.00 0.00 N ATOM 135 CA GLU A 8 9.443 -49.886 -11.250 1.00 0.00 C ATOM 136 C GLU A 8 8.243 -49.077 -11.799 1.00 0.00 C ATOM 137 O GLU A 8 7.399 -49.642 -12.497 1.00 0.00 O ATOM 138 CB GLU A 8 9.297 -50.213 -9.745 1.00 0.00 C ATOM 139 CG GLU A 8 7.988 -50.941 -9.315 1.00 0.00 C ATOM 140 CD GLU A 8 8.048 -51.378 -7.850 1.00 0.00 C ATOM 141 OE1 GLU A 8 8.095 -50.522 -6.961 1.00 0.00 O ATOM 142 OE2 GLU A 8 8.086 -52.579 -7.604 1.00 0.00 O ATOM 0 H GLU A 8 11.199 -48.995 -10.518 1.00 0.00 H new ATOM 0 HA GLU A 8 9.425 -50.791 -11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.144 -50.830 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.369 -49.281 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.136 -50.278 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.829 -51.813 -9.950 1.00 0.00 H new ATOM 149 N GLU A 9 8.153 -47.769 -11.522 1.00 0.00 N ATOM 150 CA GLU A 9 7.088 -46.898 -12.042 1.00 0.00 C ATOM 151 C GLU A 9 7.218 -46.559 -13.532 1.00 0.00 C ATOM 152 O GLU A 9 6.184 -46.411 -14.184 1.00 0.00 O ATOM 153 CB GLU A 9 7.028 -45.627 -11.160 1.00 0.00 C ATOM 154 CG GLU A 9 6.626 -45.911 -9.668 1.00 0.00 C ATOM 155 CD GLU A 9 5.159 -46.306 -9.477 1.00 0.00 C ATOM 156 OE1 GLU A 9 4.779 -47.432 -9.810 1.00 0.00 O ATOM 157 OE2 GLU A 9 4.387 -45.479 -9.005 1.00 0.00 O ATOM 0 H GLU A 9 8.822 -47.281 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 9 6.148 -47.447 -11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.002 -45.137 -11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.312 -44.929 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.259 -46.708 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.831 -45.021 -9.073 1.00 0.00 H new ATOM 164 N ALA A 10 8.413 -46.312 -14.071 1.00 0.00 N ATOM 165 CA ALA A 10 8.684 -46.322 -15.515 1.00 0.00 C ATOM 166 C ALA A 10 9.472 -47.501 -16.140 1.00 0.00 C ATOM 167 O ALA A 10 10.312 -47.273 -17.017 1.00 0.00 O ATOM 168 CB ALA A 10 9.340 -44.949 -15.803 1.00 0.00 C ATOM 0 H ALA A 10 9.236 -46.095 -13.509 1.00 0.00 H new ATOM 0 HA ALA A 10 7.731 -46.491 -16.017 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.575 -44.874 -16.865 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.651 -44.151 -15.527 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.256 -44.854 -15.221 1.00 0.00 H new ATOM 174 N ALA A 11 9.229 -48.775 -15.807 1.00 0.00 N ATOM 175 CA ALA A 11 9.759 -49.947 -16.536 1.00 0.00 C ATOM 176 C ALA A 11 9.393 -50.116 -18.040 1.00 0.00 C ATOM 177 O ALA A 11 9.561 -51.209 -18.587 1.00 0.00 O ATOM 178 CB ALA A 11 9.335 -51.190 -15.704 1.00 0.00 C ATOM 0 H ALA A 11 8.648 -49.031 -15.009 1.00 0.00 H new ATOM 0 HA ALA A 11 10.837 -49.803 -16.614 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.698 -52.095 -16.191 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.762 -51.121 -14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.248 -51.227 -15.633 1.00 0.00 H new ATOM 184 N LYS A 12 8.974 -49.038 -18.735 1.00 0.00 N ATOM 185 CA LYS A 12 8.448 -49.013 -20.113 1.00 0.00 C ATOM 186 C LYS A 12 7.426 -50.134 -20.416 1.00 0.00 C ATOM 187 O LYS A 12 7.527 -50.907 -21.372 1.00 0.00 O ATOM 188 CB LYS A 12 9.632 -48.968 -21.120 1.00 0.00 C ATOM 189 CG LYS A 12 10.429 -47.640 -21.037 1.00 0.00 C ATOM 190 CD LYS A 12 11.642 -47.580 -21.991 1.00 0.00 C ATOM 191 CE LYS A 12 12.809 -48.460 -21.538 1.00 0.00 C ATOM 192 NZ LYS A 12 13.896 -48.269 -22.486 1.00 0.00 N ATOM 0 H LYS A 12 8.996 -48.105 -18.322 1.00 0.00 H new ATOM 0 HA LYS A 12 7.863 -48.101 -20.229 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.303 -49.804 -20.925 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.249 -49.096 -22.133 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.759 -46.810 -21.263 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.776 -47.499 -20.013 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.328 -47.889 -22.988 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.983 -46.548 -22.070 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.126 -48.187 -20.531 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.509 -49.507 -21.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.708 -48.855 -22.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.580 -48.547 -23.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.178 -47.268 -22.494 1.00 0.00 H new ATOM 206 N TYR A 13 6.379 -50.161 -19.584 1.00 0.00 N ATOM 207 CA TYR A 13 5.593 -51.360 -19.347 1.00 0.00 C ATOM 208 C TYR A 13 4.090 -51.168 -19.678 1.00 0.00 C ATOM 209 O TYR A 13 3.757 -50.708 -20.771 1.00 0.00 O ATOM 210 CB TYR A 13 5.952 -51.822 -17.883 1.00 0.00 C ATOM 211 CG TYR A 13 5.486 -50.890 -16.734 1.00 0.00 C ATOM 212 CD1 TYR A 13 5.859 -49.552 -16.586 1.00 0.00 C ATOM 213 CD2 TYR A 13 4.615 -51.396 -15.776 1.00 0.00 C ATOM 214 CE1 TYR A 13 5.349 -48.797 -15.563 1.00 0.00 C ATOM 215 CE2 TYR A 13 4.121 -50.630 -14.738 1.00 0.00 C ATOM 216 CZ TYR A 13 4.489 -49.318 -14.638 1.00 0.00 C ATOM 217 OH TYR A 13 4.029 -48.509 -13.646 1.00 0.00 O ATOM 0 H TYR A 13 6.059 -49.347 -19.059 1.00 0.00 H new ATOM 0 HA TYR A 13 5.841 -52.172 -20.030 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.519 -52.809 -17.720 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.034 -51.934 -17.815 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.555 -49.109 -17.283 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.312 -52.430 -15.846 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.635 -47.759 -15.485 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.450 -51.064 -14.012 1.00 0.00 H new ATOM 0 HH TYR A 13 4.589 -47.707 -13.592 1.00 0.00 H new ATOM 227 N LYS A 14 3.163 -51.515 -18.779 1.00 0.00 N ATOM 228 CA LYS A 14 1.715 -51.429 -18.988 1.00 0.00 C ATOM 229 C LYS A 14 1.187 -49.985 -18.881 1.00 0.00 C ATOM 230 O LYS A 14 0.508 -49.467 -19.770 1.00 0.00 O ATOM 231 CB LYS A 14 0.986 -52.290 -17.921 1.00 0.00 C ATOM 232 CG LYS A 14 1.356 -53.790 -17.858 1.00 0.00 C ATOM 233 CD LYS A 14 0.714 -54.455 -16.614 1.00 0.00 C ATOM 234 CE LYS A 14 -0.776 -54.781 -16.774 1.00 0.00 C ATOM 235 NZ LYS A 14 -1.350 -54.950 -15.443 1.00 0.00 N ATOM 0 H LYS A 14 3.408 -51.875 -17.857 1.00 0.00 H new ATOM 0 HA LYS A 14 1.518 -51.792 -19.997 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.180 -51.852 -16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.087 -52.213 -18.098 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.016 -54.293 -18.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.440 -53.902 -17.819 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.254 -55.375 -16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.840 -53.794 -15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.285 -53.979 -17.309 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.906 -55.689 -17.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.306 -55.352 -15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.751 -55.593 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.402 -54.026 -14.968 1.00 0.00 H new ATOM 249 N TYR A 15 1.522 -49.325 -17.765 1.00 0.00 N ATOM 250 CA TYR A 15 0.907 -48.060 -17.372 1.00 0.00 C ATOM 251 C TYR A 15 1.660 -46.837 -17.936 1.00 0.00 C ATOM 252 O TYR A 15 2.322 -46.061 -17.238 1.00 0.00 O ATOM 253 CB TYR A 15 0.749 -48.041 -15.827 1.00 0.00 C ATOM 254 CG TYR A 15 -0.069 -49.248 -15.333 1.00 0.00 C ATOM 255 CD1 TYR A 15 -1.352 -49.500 -15.793 1.00 0.00 C ATOM 256 CD2 TYR A 15 0.488 -50.182 -14.478 1.00 0.00 C ATOM 257 CE1 TYR A 15 -2.038 -50.645 -15.435 1.00 0.00 C ATOM 258 CE2 TYR A 15 -0.187 -51.331 -14.118 1.00 0.00 C ATOM 259 CZ TYR A 15 -1.447 -51.566 -14.605 1.00 0.00 C ATOM 260 OH TYR A 15 -2.073 -52.742 -14.322 1.00 0.00 O ATOM 0 H TYR A 15 2.230 -49.658 -17.110 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.086 -47.985 -17.815 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.733 -48.050 -15.359 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.259 -47.117 -15.521 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.827 -48.784 -16.447 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.477 -50.008 -14.082 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.037 -50.815 -15.807 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.277 -52.044 -13.453 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.016 -52.681 -14.581 1.00 0.00 H new ATOM 270 N ALA A 16 1.468 -46.704 -19.256 1.00 0.00 N ATOM 271 CA ALA A 16 2.071 -45.671 -20.102 1.00 0.00 C ATOM 272 C ALA A 16 1.782 -44.216 -19.669 1.00 0.00 C ATOM 273 O ALA A 16 2.689 -43.372 -19.646 1.00 0.00 O ATOM 274 CB ALA A 16 1.592 -45.921 -21.547 1.00 0.00 C ATOM 0 H ALA A 16 0.865 -47.338 -19.781 1.00 0.00 H new ATOM 0 HA ALA A 16 3.153 -45.760 -20.008 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.022 -45.169 -22.208 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.911 -46.912 -21.870 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.504 -45.859 -21.586 1.00 0.00 H new ATOM 280 N MET A 17 0.526 -43.945 -19.295 1.00 0.00 N ATOM 281 CA MET A 17 0.081 -42.650 -18.775 1.00 0.00 C ATOM 282 C MET A 17 0.661 -42.339 -17.377 1.00 0.00 C ATOM 283 O MET A 17 0.905 -41.180 -17.037 1.00 0.00 O ATOM 284 CB MET A 17 -1.472 -42.672 -18.757 1.00 0.00 C ATOM 285 CG MET A 17 -2.123 -41.309 -18.422 1.00 0.00 C ATOM 286 SD MET A 17 -3.934 -41.386 -18.410 1.00 0.00 S ATOM 287 CE MET A 17 -4.308 -40.840 -20.096 1.00 0.00 C ATOM 0 H MET A 17 -0.223 -44.635 -19.347 1.00 0.00 H new ATOM 0 HA MET A 17 0.449 -41.851 -19.419 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.831 -43.003 -19.732 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.805 -43.410 -18.027 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.771 -40.972 -17.447 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.799 -40.567 -19.152 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.388 -40.834 -20.245 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.915 -39.835 -20.249 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.847 -41.522 -20.810 1.00 0.00 H new ATOM 297 N LEU A 18 0.950 -43.372 -16.575 1.00 0.00 N ATOM 298 CA LEU A 18 1.379 -43.206 -15.187 1.00 0.00 C ATOM 299 C LEU A 18 2.916 -43.145 -15.066 1.00 0.00 C ATOM 300 O LEU A 18 3.442 -42.398 -14.237 1.00 0.00 O ATOM 301 CB LEU A 18 0.681 -44.284 -14.308 1.00 0.00 C ATOM 302 CG LEU A 18 -0.875 -44.302 -14.498 1.00 0.00 C ATOM 303 CD1 LEU A 18 -1.557 -45.455 -13.760 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.538 -43.004 -14.014 1.00 0.00 C ATOM 0 H LEU A 18 0.892 -44.346 -16.874 1.00 0.00 H new ATOM 0 HA LEU A 18 1.058 -42.238 -14.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.085 -45.266 -14.555 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.913 -44.098 -13.259 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.009 -44.422 -15.573 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.633 -45.411 -13.932 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.169 -46.404 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.356 -45.373 -12.692 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.615 -43.067 -14.167 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.330 -42.863 -12.953 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.140 -42.160 -14.577 1.00 0.00 H new ATOM 316 N LYS A 19 3.685 -43.887 -15.877 1.00 0.00 N ATOM 317 CA LYS A 19 5.049 -43.460 -16.204 1.00 0.00 C ATOM 318 C LYS A 19 5.135 -42.082 -16.912 1.00 0.00 C ATOM 319 O LYS A 19 6.147 -41.400 -16.748 1.00 0.00 O ATOM 320 CB LYS A 19 5.796 -44.563 -16.994 1.00 0.00 C ATOM 321 CG LYS A 19 5.406 -44.800 -18.467 1.00 0.00 C ATOM 322 CD LYS A 19 6.414 -44.181 -19.467 1.00 0.00 C ATOM 323 CE LYS A 19 5.892 -44.111 -20.905 1.00 0.00 C ATOM 324 NZ LYS A 19 4.891 -43.051 -20.992 1.00 0.00 N ATOM 0 H LYS A 19 3.393 -44.764 -16.308 1.00 0.00 H new ATOM 0 HA LYS A 19 5.553 -43.312 -15.249 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.860 -44.329 -16.966 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.662 -45.503 -16.459 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.333 -45.872 -18.650 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.417 -44.378 -18.648 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.671 -43.175 -19.134 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.333 -44.767 -19.452 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.712 -43.913 -21.595 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.456 -45.067 -21.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.789 -42.750 -21.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.978 -43.406 -20.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.192 -42.241 -20.413 1.00 0.00 H new ATOM 338 N LYS A 20 4.156 -41.613 -17.711 1.00 0.00 N ATOM 339 CA LYS A 20 4.112 -40.200 -18.123 1.00 0.00 C ATOM 340 C LYS A 20 3.862 -39.256 -16.915 1.00 0.00 C ATOM 341 O LYS A 20 4.407 -38.151 -16.916 1.00 0.00 O ATOM 342 CB LYS A 20 3.070 -40.021 -19.263 1.00 0.00 C ATOM 343 CG LYS A 20 3.113 -38.668 -20.021 1.00 0.00 C ATOM 344 CD LYS A 20 2.052 -37.653 -19.529 1.00 0.00 C ATOM 345 CE LYS A 20 2.097 -36.314 -20.273 1.00 0.00 C ATOM 346 NZ LYS A 20 3.271 -35.561 -19.842 1.00 0.00 N ATOM 0 H LYS A 20 3.396 -42.185 -18.079 1.00 0.00 H new ATOM 0 HA LYS A 20 5.087 -39.912 -18.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.212 -40.824 -19.986 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.073 -40.145 -18.839 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.104 -38.229 -19.909 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.964 -38.851 -21.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.061 -38.091 -19.645 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.199 -37.473 -18.464 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.135 -36.484 -21.349 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.191 -35.743 -20.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.216 -34.591 -20.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.304 -35.534 -18.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.131 -36.021 -20.204 1.00 0.00 H new ATOM 360 N CYS A 21 3.079 -39.628 -15.880 1.00 0.00 N ATOM 361 CA CYS A 21 3.077 -38.943 -14.570 1.00 0.00 C ATOM 362 C CYS A 21 4.463 -38.870 -13.890 1.00 0.00 C ATOM 363 O CYS A 21 4.798 -37.829 -13.311 1.00 0.00 O ATOM 364 CB CYS A 21 2.089 -39.604 -13.591 1.00 0.00 C ATOM 365 SG CYS A 21 0.327 -39.341 -13.919 1.00 0.00 S ATOM 0 H CYS A 21 2.430 -40.413 -15.930 1.00 0.00 H new ATOM 0 HA CYS A 21 2.768 -37.923 -14.799 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.279 -40.677 -13.588 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.307 -39.239 -12.588 1.00 0.00 H new ATOM 370 N CYS A 22 5.267 -39.953 -13.943 1.00 0.00 N ATOM 371 CA CYS A 22 6.723 -39.885 -13.693 1.00 0.00 C ATOM 372 C CYS A 22 7.362 -38.770 -14.509 1.00 0.00 C ATOM 373 O CYS A 22 8.005 -37.881 -13.957 1.00 0.00 O ATOM 374 CB CYS A 22 7.418 -41.266 -13.852 1.00 0.00 C ATOM 375 SG CYS A 22 8.785 -41.590 -12.695 1.00 0.00 S ATOM 0 H CYS A 22 4.929 -40.891 -14.158 1.00 0.00 H new ATOM 0 HA CYS A 22 6.875 -39.623 -12.646 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.668 -42.047 -13.730 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.799 -41.347 -14.870 1.00 0.00 H new ATOM 380 N TYR A 23 7.150 -38.749 -15.809 1.00 0.00 N ATOM 381 CA TYR A 23 7.826 -37.772 -16.647 1.00 0.00 C ATOM 382 C TYR A 23 7.276 -36.326 -16.533 1.00 0.00 C ATOM 383 O TYR A 23 7.992 -35.374 -16.849 1.00 0.00 O ATOM 384 CB TYR A 23 7.954 -38.418 -18.017 1.00 0.00 C ATOM 385 CG TYR A 23 8.683 -39.794 -17.959 1.00 0.00 C ATOM 386 CD1 TYR A 23 9.345 -40.377 -16.850 1.00 0.00 C ATOM 387 CD2 TYR A 23 8.775 -40.464 -19.164 1.00 0.00 C ATOM 388 CE1 TYR A 23 10.093 -41.527 -17.018 1.00 0.00 C ATOM 389 CE2 TYR A 23 9.516 -41.615 -19.320 1.00 0.00 C ATOM 390 CZ TYR A 23 10.184 -42.138 -18.243 1.00 0.00 C ATOM 391 OH TYR A 23 10.940 -43.256 -18.378 1.00 0.00 O ATOM 0 H TYR A 23 6.526 -39.385 -16.305 1.00 0.00 H new ATOM 0 HA TYR A 23 8.835 -37.546 -16.302 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.961 -38.554 -18.446 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.500 -37.748 -18.682 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.265 -39.923 -15.873 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.245 -40.069 -20.018 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.614 -41.951 -16.172 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.570 -42.101 -20.283 1.00 0.00 H new ATOM 0 HH TYR A 23 10.900 -43.568 -19.306 1.00 0.00 H new ATOM 401 N ASP A 24 6.037 -36.145 -16.036 1.00 0.00 N ATOM 402 CA ASP A 24 5.573 -34.885 -15.424 1.00 0.00 C ATOM 403 C ASP A 24 6.393 -34.495 -14.177 1.00 0.00 C ATOM 404 O ASP A 24 6.762 -33.329 -14.033 1.00 0.00 O ATOM 405 CB ASP A 24 4.062 -34.946 -15.035 1.00 0.00 C ATOM 406 CG ASP A 24 3.118 -35.269 -16.194 1.00 0.00 C ATOM 407 OD1 ASP A 24 3.378 -34.896 -17.344 1.00 0.00 O ATOM 408 OD2 ASP A 24 2.099 -35.896 -15.930 1.00 0.00 O ATOM 0 H ASP A 24 5.325 -36.875 -16.048 1.00 0.00 H new ATOM 0 HA ASP A 24 5.718 -34.123 -16.189 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.931 -35.698 -14.257 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.772 -33.988 -14.604 1.00 0.00 H new ATOM 413 N GLY A 25 6.661 -35.450 -13.271 1.00 0.00 N ATOM 414 CA GLY A 25 7.581 -35.267 -12.137 1.00 0.00 C ATOM 415 C GLY A 25 9.025 -34.928 -12.529 1.00 0.00 C ATOM 416 O GLY A 25 9.631 -34.050 -11.916 1.00 0.00 O ATOM 0 H GLY A 25 6.241 -36.379 -13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.196 -34.471 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.586 -36.179 -11.540 1.00 0.00 H new ATOM 420 N ALA A 26 9.573 -35.627 -13.533 1.00 0.00 N ATOM 421 CA ALA A 26 10.892 -35.330 -14.101 1.00 0.00 C ATOM 422 C ALA A 26 10.966 -33.948 -14.782 1.00 0.00 C ATOM 423 O ALA A 26 11.969 -33.246 -14.621 1.00 0.00 O ATOM 424 CB ALA A 26 11.296 -36.443 -15.087 1.00 0.00 C ATOM 0 H ALA A 26 9.108 -36.420 -13.976 1.00 0.00 H new ATOM 0 HA ALA A 26 11.597 -35.295 -13.270 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.277 -36.219 -15.507 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.336 -37.397 -14.562 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.562 -36.501 -15.891 1.00 0.00 H new ATOM 430 N TYR A 27 9.938 -33.525 -15.538 1.00 0.00 N ATOM 431 CA TYR A 27 9.830 -32.140 -16.010 1.00 0.00 C ATOM 432 C TYR A 27 9.484 -31.177 -14.844 1.00 0.00 C ATOM 433 O TYR A 27 8.344 -30.747 -14.627 1.00 0.00 O ATOM 434 CB TYR A 27 8.811 -32.083 -17.187 1.00 0.00 C ATOM 435 CG TYR A 27 8.764 -30.691 -17.842 1.00 0.00 C ATOM 436 CD1 TYR A 27 9.786 -30.236 -18.658 1.00 0.00 C ATOM 437 CD2 TYR A 27 7.704 -29.827 -17.616 1.00 0.00 C ATOM 438 CE1 TYR A 27 9.758 -28.974 -19.218 1.00 0.00 C ATOM 439 CE2 TYR A 27 7.667 -28.565 -18.172 1.00 0.00 C ATOM 440 CZ TYR A 27 8.695 -28.138 -18.971 1.00 0.00 C ATOM 441 OH TYR A 27 8.658 -26.889 -19.500 1.00 0.00 O ATOM 0 H TYR A 27 9.170 -34.127 -15.834 1.00 0.00 H new ATOM 0 HA TYR A 27 10.792 -31.797 -16.390 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.081 -32.827 -17.936 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.818 -32.345 -16.820 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.626 -30.884 -18.861 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.886 -30.150 -16.989 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.570 -28.644 -19.849 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.828 -27.914 -17.978 1.00 0.00 H new ATOM 0 HH TYR A 27 7.833 -26.440 -19.221 1.00 0.00 H new ATOM 451 N ARG A 28 10.501 -30.890 -14.023 1.00 0.00 N ATOM 452 CA ARG A 28 10.396 -29.893 -12.961 1.00 0.00 C ATOM 453 C ARG A 28 11.131 -28.597 -13.365 1.00 0.00 C ATOM 454 O ARG A 28 12.304 -28.360 -13.061 1.00 0.00 O ATOM 455 CB ARG A 28 10.914 -30.562 -11.666 1.00 0.00 C ATOM 456 CG ARG A 28 10.396 -29.963 -10.335 1.00 0.00 C ATOM 457 CD ARG A 28 11.235 -28.829 -9.752 1.00 0.00 C ATOM 458 NE ARG A 28 12.524 -29.374 -9.327 1.00 0.00 N ATOM 459 CZ ARG A 28 12.986 -29.392 -8.111 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.380 -28.962 -7.068 1.00 0.00 N ATOM 461 NH2 ARG A 28 14.153 -29.865 -7.927 1.00 0.00 N ATOM 0 H ARG A 28 11.414 -31.342 -14.079 1.00 0.00 H new ATOM 0 HA ARG A 28 9.369 -29.572 -12.785 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.645 -31.618 -11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.003 -30.510 -11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.382 -29.597 -10.493 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.335 -30.763 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.382 -28.046 -10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.720 -28.373 -8.907 1.00 0.00 H new ATOM 0 HE ARG A 28 13.117 -29.778 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.446 -28.560 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.831 -29.022 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.693 -30.214 -8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.549 -29.895 -6.987 1.00 0.00 H new ATOM 475 N ASN A 29 10.434 -27.784 -14.170 1.00 0.00 N ATOM 476 CA ASN A 29 10.911 -26.457 -14.584 1.00 0.00 C ATOM 477 C ASN A 29 9.911 -25.324 -14.278 1.00 0.00 C ATOM 478 O ASN A 29 10.318 -24.199 -13.994 1.00 0.00 O ATOM 479 CB ASN A 29 11.268 -26.470 -16.099 1.00 0.00 C ATOM 480 CG ASN A 29 12.428 -27.411 -16.444 1.00 0.00 C ATOM 481 OD1 ASN A 29 13.423 -27.634 -15.602 1.00 0.00 O flip ATOM 482 ND2 ASN A 29 12.467 -27.970 -17.531 1.00 0.00 N flip ATOM 0 H ASN A 29 9.521 -28.028 -14.554 1.00 0.00 H new ATOM 0 HA ASN A 29 11.802 -26.246 -13.993 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.388 -26.766 -16.669 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.525 -25.458 -16.413 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.718 -27.823 -18.207 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.249 -28.583 -17.761 1.00 0.00 H new ATOM 489 N ASP A 30 8.609 -25.621 -14.376 1.00 0.00 N ATOM 490 CA ASP A 30 7.502 -24.725 -14.008 1.00 0.00 C ATOM 491 C ASP A 30 7.481 -24.262 -12.531 1.00 0.00 C ATOM 492 O ASP A 30 7.663 -23.073 -12.272 1.00 0.00 O ATOM 493 CB ASP A 30 6.148 -25.393 -14.432 1.00 0.00 C ATOM 494 CG ASP A 30 6.118 -26.887 -14.108 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.753 -27.261 -12.994 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.557 -27.666 -14.949 1.00 0.00 O ATOM 0 H ASP A 30 8.285 -26.523 -14.726 1.00 0.00 H new ATOM 0 HA ASP A 30 7.659 -23.796 -14.555 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.323 -24.895 -13.922 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.993 -25.251 -15.502 1.00 0.00 H new ATOM 501 N ASP A 31 7.237 -25.143 -11.550 1.00 0.00 N ATOM 502 CA ASP A 31 7.251 -24.785 -10.130 1.00 0.00 C ATOM 503 C ASP A 31 8.324 -25.577 -9.354 1.00 0.00 C ATOM 504 O ASP A 31 8.480 -26.784 -9.546 1.00 0.00 O ATOM 505 CB ASP A 31 5.851 -25.051 -9.504 1.00 0.00 C ATOM 506 CG ASP A 31 4.731 -24.294 -10.214 1.00 0.00 C ATOM 507 OD1 ASP A 31 4.689 -23.072 -10.121 1.00 0.00 O ATOM 508 OD2 ASP A 31 3.882 -24.950 -10.823 1.00 0.00 O ATOM 0 H ASP A 31 7.024 -26.125 -11.723 1.00 0.00 H new ATOM 0 HA ASP A 31 7.495 -23.725 -10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.640 -26.120 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.868 -24.764 -8.453 1.00 0.00 H new ATOM 513 N GLU A 32 9.063 -24.888 -8.471 1.00 0.00 N ATOM 514 CA GLU A 32 10.073 -25.493 -7.592 1.00 0.00 C ATOM 515 C GLU A 32 9.533 -26.561 -6.617 1.00 0.00 C ATOM 516 O GLU A 32 10.102 -27.652 -6.530 1.00 0.00 O ATOM 517 CB GLU A 32 10.810 -24.374 -6.794 1.00 0.00 C ATOM 518 CG GLU A 32 11.938 -23.634 -7.583 1.00 0.00 C ATOM 519 CD GLU A 32 13.187 -24.498 -7.799 1.00 0.00 C ATOM 520 OE1 GLU A 32 13.975 -24.649 -6.862 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.361 -25.007 -8.902 1.00 0.00 O ATOM 0 H GLU A 32 8.974 -23.880 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 32 10.758 -26.024 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.075 -23.639 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.244 -24.814 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.549 -23.319 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.218 -22.730 -7.043 1.00 0.00 H new ATOM 528 N THR A 33 8.452 -26.267 -5.883 1.00 0.00 N ATOM 529 CA THR A 33 7.903 -27.160 -4.856 1.00 0.00 C ATOM 530 C THR A 33 7.017 -28.268 -5.462 1.00 0.00 C ATOM 531 O THR A 33 5.899 -28.019 -5.925 1.00 0.00 O ATOM 532 CB THR A 33 7.106 -26.342 -3.800 1.00 0.00 C ATOM 533 OG1 THR A 33 7.886 -25.266 -3.308 1.00 0.00 O ATOM 534 CG2 THR A 33 6.766 -27.133 -2.536 1.00 0.00 C ATOM 0 H THR A 33 7.931 -25.396 -5.986 1.00 0.00 H new ATOM 0 HA THR A 33 8.744 -27.651 -4.367 1.00 0.00 H new ATOM 0 HB THR A 33 6.204 -26.037 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.368 -24.762 -2.646 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.210 -26.497 -1.847 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.158 -27.998 -2.801 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.686 -27.468 -2.058 1.00 0.00 H new ATOM 542 N CYS A 34 7.538 -29.505 -5.414 1.00 0.00 N ATOM 543 CA CYS A 34 6.901 -30.712 -5.953 1.00 0.00 C ATOM 544 C CYS A 34 5.491 -30.994 -5.406 1.00 0.00 C ATOM 545 O CYS A 34 4.563 -31.242 -6.175 1.00 0.00 O ATOM 546 CB CYS A 34 7.807 -31.938 -5.657 1.00 0.00 C ATOM 547 SG CYS A 34 9.315 -32.016 -6.656 1.00 0.00 S ATOM 0 H CYS A 34 8.443 -29.696 -4.985 1.00 0.00 H new ATOM 0 HA CYS A 34 6.783 -30.536 -7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.085 -31.922 -4.603 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.230 -32.848 -5.821 1.00 0.00 H new ATOM 552 N GLU A 35 5.332 -30.927 -4.079 1.00 0.00 N ATOM 553 CA GLU A 35 4.065 -31.201 -3.402 1.00 0.00 C ATOM 554 C GLU A 35 2.955 -30.177 -3.719 1.00 0.00 C ATOM 555 O GLU A 35 1.790 -30.563 -3.741 1.00 0.00 O ATOM 556 CB GLU A 35 4.344 -31.275 -1.868 1.00 0.00 C ATOM 557 CG GLU A 35 3.130 -31.680 -0.956 1.00 0.00 C ATOM 558 CD GLU A 35 2.748 -33.160 -1.048 1.00 0.00 C ATOM 559 OE1 GLU A 35 2.143 -33.577 -2.042 1.00 0.00 O ATOM 560 OE2 GLU A 35 3.071 -33.894 -0.121 1.00 0.00 O ATOM 0 H GLU A 35 6.088 -30.678 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 35 3.680 -32.151 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.150 -31.990 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.708 -30.302 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.372 -31.441 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.266 -31.075 -1.229 1.00 0.00 H new ATOM 567 N GLU A 36 3.267 -28.899 -3.987 1.00 0.00 N ATOM 568 CA GLU A 36 2.271 -27.895 -4.384 1.00 0.00 C ATOM 569 C GLU A 36 1.683 -28.234 -5.769 1.00 0.00 C ATOM 570 O GLU A 36 0.464 -28.389 -5.925 1.00 0.00 O ATOM 571 CB GLU A 36 2.939 -26.482 -4.332 1.00 0.00 C ATOM 572 CG GLU A 36 2.004 -25.239 -4.574 1.00 0.00 C ATOM 573 CD GLU A 36 1.616 -25.000 -6.038 1.00 0.00 C ATOM 574 OE1 GLU A 36 2.491 -24.812 -6.883 1.00 0.00 O ATOM 575 OE2 GLU A 36 0.430 -25.031 -6.357 1.00 0.00 O ATOM 0 H GLU A 36 4.218 -28.534 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 36 1.429 -27.895 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.410 -26.366 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.735 -26.456 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.094 -25.368 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.504 -24.347 -4.195 1.00 0.00 H new ATOM 582 N ARG A 37 2.571 -28.384 -6.763 1.00 0.00 N ATOM 583 CA ARG A 37 2.157 -28.761 -8.109 1.00 0.00 C ATOM 584 C ARG A 37 1.550 -30.175 -8.146 1.00 0.00 C ATOM 585 O ARG A 37 0.556 -30.363 -8.843 1.00 0.00 O ATOM 586 CB ARG A 37 3.288 -28.538 -9.145 1.00 0.00 C ATOM 587 CG ARG A 37 4.475 -29.525 -9.120 1.00 0.00 C ATOM 588 CD ARG A 37 5.541 -29.123 -10.139 1.00 0.00 C ATOM 589 NE ARG A 37 6.367 -30.290 -10.431 1.00 0.00 N ATOM 590 CZ ARG A 37 6.804 -30.621 -11.614 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.691 -29.918 -12.678 1.00 0.00 N ATOM 592 NH2 ARG A 37 7.427 -31.722 -11.732 1.00 0.00 N ATOM 0 H ARG A 37 3.576 -28.249 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 37 1.352 -28.090 -8.409 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.845 -28.569 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.683 -27.532 -9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.912 -29.549 -8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.120 -30.532 -9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.073 -28.753 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.155 -28.313 -9.745 1.00 0.00 H new ATOM 0 HE ARG A 37 6.622 -30.893 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.225 -29.011 -12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.067 -30.264 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.572 -32.316 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.782 -32.012 -12.643 1.00 0.00 H new ATOM 606 N ALA A 38 2.059 -31.177 -7.416 1.00 0.00 N ATOM 607 CA ALA A 38 1.410 -32.485 -7.321 1.00 0.00 C ATOM 608 C ALA A 38 0.292 -32.628 -6.260 1.00 0.00 C ATOM 609 O ALA A 38 -0.248 -33.719 -6.078 1.00 0.00 O ATOM 610 CB ALA A 38 2.504 -33.538 -7.263 1.00 0.00 C ATOM 0 H ALA A 38 2.924 -31.102 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 38 0.809 -32.633 -8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.053 -34.528 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.112 -33.481 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.133 -33.362 -6.390 1.00 0.00 H new ATOM 616 N ALA A 39 -0.062 -31.580 -5.503 1.00 0.00 N ATOM 617 CA ALA A 39 -1.437 -31.387 -5.034 1.00 0.00 C ATOM 618 C ALA A 39 -2.388 -30.944 -6.166 1.00 0.00 C ATOM 619 O ALA A 39 -3.579 -31.270 -6.129 1.00 0.00 O ATOM 620 CB ALA A 39 -1.456 -30.367 -3.879 1.00 0.00 C ATOM 0 H ALA A 39 0.588 -30.853 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.802 -32.350 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.480 -30.227 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.844 -30.737 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.057 -29.414 -4.228 1.00 0.00 H new ATOM 626 N ARG A 40 -1.914 -30.157 -7.148 1.00 0.00 N ATOM 627 CA ARG A 40 -2.666 -29.896 -8.388 1.00 0.00 C ATOM 628 C ARG A 40 -2.751 -31.111 -9.352 1.00 0.00 C ATOM 629 O ARG A 40 -3.800 -31.305 -9.968 1.00 0.00 O ATOM 630 CB ARG A 40 -2.117 -28.630 -9.106 1.00 0.00 C ATOM 631 CG ARG A 40 -2.346 -27.329 -8.296 1.00 0.00 C ATOM 632 CD ARG A 40 -1.933 -26.047 -9.045 1.00 0.00 C ATOM 633 NE ARG A 40 -0.508 -25.755 -8.844 1.00 0.00 N ATOM 634 CZ ARG A 40 0.413 -25.672 -9.768 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.245 -25.964 -11.002 1.00 0.00 N ATOM 636 NH2 ARG A 40 1.584 -25.299 -9.433 1.00 0.00 N ATOM 0 H ARG A 40 -1.009 -29.689 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.696 -29.711 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.050 -28.756 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.597 -28.534 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.401 -27.259 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.785 -27.390 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.138 -26.162 -10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.533 -25.207 -8.694 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.205 -25.601 -7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.664 -26.291 -11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.020 -25.870 -11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.788 -25.072 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.318 -25.227 -10.138 1.00 0.00 H new ATOM 650 N ILE A 41 -1.694 -31.919 -9.561 1.00 0.00 N ATOM 651 CA ILE A 41 -1.752 -33.221 -10.246 1.00 0.00 C ATOM 652 C ILE A 41 -2.478 -34.312 -9.420 1.00 0.00 C ATOM 653 O ILE A 41 -1.957 -35.099 -8.629 1.00 0.00 O ATOM 654 CB ILE A 41 -0.393 -33.685 -10.875 1.00 0.00 C ATOM 655 CG1 ILE A 41 0.122 -32.669 -11.919 1.00 0.00 C ATOM 656 CG2 ILE A 41 -0.494 -35.012 -11.582 1.00 0.00 C ATOM 657 CD1 ILE A 41 1.282 -31.934 -11.300 1.00 0.00 C ATOM 0 H ILE A 41 -0.753 -31.677 -9.250 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.388 -33.052 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 41 0.290 -33.768 -10.029 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.434 -33.180 -12.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.668 -31.972 -12.199 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.478 -35.279 -11.996 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.810 -35.778 -10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.224 -34.940 -12.388 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.672 -31.206 -12.011 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.948 -31.419 -10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.067 -32.645 -11.041 1.00 0.00 H new ATOM 669 N LYS A 42 -3.768 -34.263 -9.728 1.00 0.00 N ATOM 670 CA LYS A 42 -4.850 -35.041 -9.110 1.00 0.00 C ATOM 671 C LYS A 42 -5.046 -36.488 -9.605 1.00 0.00 C ATOM 672 O LYS A 42 -5.677 -37.270 -8.894 1.00 0.00 O ATOM 673 CB LYS A 42 -6.202 -34.296 -9.333 1.00 0.00 C ATOM 674 CG LYS A 42 -6.401 -32.961 -8.583 1.00 0.00 C ATOM 675 CD LYS A 42 -6.487 -33.122 -7.046 1.00 0.00 C ATOM 676 CE LYS A 42 -6.956 -31.862 -6.308 1.00 0.00 C ATOM 677 NZ LYS A 42 -6.013 -30.778 -6.552 1.00 0.00 N ATOM 0 H LYS A 42 -4.114 -33.643 -10.460 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.546 -35.122 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.310 -34.104 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.010 -34.969 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.575 -32.291 -8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.313 -32.484 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.169 -33.940 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.506 -33.408 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.951 -31.577 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.030 -32.060 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.121 -30.051 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.042 -31.151 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.202 -30.357 -7.484 1.00 0.00 H new ATOM 691 N ILE A 43 -4.499 -36.863 -10.772 1.00 0.00 N ATOM 692 CA ILE A 43 -4.990 -37.959 -11.632 1.00 0.00 C ATOM 693 C ILE A 43 -5.167 -39.336 -10.944 1.00 0.00 C ATOM 694 O ILE A 43 -6.175 -40.004 -11.193 1.00 0.00 O ATOM 695 CB ILE A 43 -4.102 -38.021 -12.931 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.201 -36.684 -13.733 1.00 0.00 C ATOM 697 CG2 ILE A 43 -4.469 -39.207 -13.868 1.00 0.00 C ATOM 698 CD1 ILE A 43 -3.080 -36.481 -14.779 1.00 0.00 C ATOM 0 H ILE A 43 -3.677 -36.399 -11.158 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.019 -37.714 -11.897 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.080 -38.178 -12.587 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.165 -36.650 -14.240 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.181 -35.851 -13.030 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.821 -39.193 -14.744 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.336 -40.148 -13.333 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.508 -39.113 -14.184 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.226 -35.529 -15.289 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.112 -36.480 -14.279 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.111 -37.291 -15.508 1.00 0.00 H new ATOM 710 N GLY A 44 -4.251 -39.779 -10.070 1.00 0.00 N ATOM 711 CA GLY A 44 -4.433 -41.027 -9.310 1.00 0.00 C ATOM 712 C GLY A 44 -3.315 -41.359 -8.298 1.00 0.00 C ATOM 713 O GLY A 44 -2.232 -40.783 -8.431 1.00 0.00 O ATOM 0 H GLY A 44 -3.377 -39.293 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.380 -40.970 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.517 -41.853 -10.016 1.00 0.00 H new ATOM 717 N PRO A 45 -3.490 -42.264 -7.298 1.00 0.00 N ATOM 718 CA PRO A 45 -2.444 -42.688 -6.336 1.00 0.00 C ATOM 719 C PRO A 45 -1.113 -43.171 -6.954 1.00 0.00 C ATOM 720 O PRO A 45 -0.032 -42.746 -6.540 1.00 0.00 O ATOM 721 CB PRO A 45 -3.124 -43.822 -5.548 1.00 0.00 C ATOM 722 CG PRO A 45 -4.568 -43.376 -5.529 1.00 0.00 C ATOM 723 CD PRO A 45 -4.778 -42.886 -6.959 1.00 0.00 C ATOM 0 HA PRO A 45 -2.125 -41.835 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.003 -44.788 -6.038 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -2.715 -43.921 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.243 -44.194 -5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.739 -42.585 -4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.018 -43.707 -7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.599 -42.171 -7.023 1.00 0.00 H new ATOM 731 N LYS A 46 -1.215 -44.051 -7.960 1.00 0.00 N ATOM 732 CA LYS A 46 -0.093 -44.534 -8.772 1.00 0.00 C ATOM 733 C LYS A 46 0.593 -43.393 -9.564 1.00 0.00 C ATOM 734 O LYS A 46 1.816 -43.399 -9.725 1.00 0.00 O ATOM 735 CB LYS A 46 -0.687 -45.628 -9.702 1.00 0.00 C ATOM 736 CG LYS A 46 0.292 -46.430 -10.596 1.00 0.00 C ATOM 737 CD LYS A 46 1.010 -47.615 -9.909 1.00 0.00 C ATOM 738 CE LYS A 46 1.676 -48.549 -10.939 1.00 0.00 C ATOM 739 NZ LYS A 46 2.846 -47.880 -11.496 1.00 0.00 N ATOM 0 H LYS A 46 -2.108 -44.458 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 46 0.700 -44.942 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.229 -46.339 -9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.420 -45.152 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.259 -46.812 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.048 -45.745 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.765 -47.234 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.293 -48.181 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.968 -49.486 -10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.971 -48.799 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.101 -48.324 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.630 -46.875 -11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.642 -47.964 -10.832 1.00 0.00 H new ATOM 753 N CYS A 47 -0.191 -42.393 -10.013 1.00 0.00 N ATOM 754 CA CYS A 47 0.317 -41.184 -10.668 1.00 0.00 C ATOM 755 C CYS A 47 1.145 -40.325 -9.697 1.00 0.00 C ATOM 756 O CYS A 47 2.315 -40.083 -10.000 1.00 0.00 O ATOM 757 CB CYS A 47 -0.849 -40.363 -11.282 1.00 0.00 C ATOM 758 SG CYS A 47 -0.383 -38.813 -12.104 1.00 0.00 S ATOM 0 H CYS A 47 -1.207 -42.408 -9.927 1.00 0.00 H new ATOM 0 HA CYS A 47 0.979 -41.495 -11.476 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.369 -40.992 -12.004 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.561 -40.131 -10.490 1.00 0.00 H new ATOM 763 N VAL A 48 0.587 -39.852 -8.561 1.00 0.00 N ATOM 764 CA VAL A 48 1.370 -39.169 -7.516 1.00 0.00 C ATOM 765 C VAL A 48 2.600 -39.944 -7.004 1.00 0.00 C ATOM 766 O VAL A 48 3.629 -39.325 -6.733 1.00 0.00 O ATOM 767 CB VAL A 48 0.546 -38.628 -6.293 1.00 0.00 C ATOM 768 CG1 VAL A 48 0.564 -37.104 -6.297 1.00 0.00 C ATOM 769 CG2 VAL A 48 -0.923 -39.033 -6.232 1.00 0.00 C ATOM 0 H VAL A 48 -0.407 -39.933 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 48 1.729 -38.304 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 48 1.041 -39.080 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.008 -36.731 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.593 -36.752 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.120 -36.737 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.384 -38.599 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.438 -38.671 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.999 -40.119 -6.186 1.00 0.00 H new ATOM 779 N LYS A 49 2.516 -41.275 -6.858 1.00 0.00 N ATOM 780 CA LYS A 49 3.671 -42.114 -6.506 1.00 0.00 C ATOM 781 C LYS A 49 4.816 -42.096 -7.554 1.00 0.00 C ATOM 782 O LYS A 49 5.970 -41.825 -7.187 1.00 0.00 O ATOM 783 CB LYS A 49 3.180 -43.560 -6.203 1.00 0.00 C ATOM 784 CG LYS A 49 3.596 -44.051 -4.787 1.00 0.00 C ATOM 785 CD LYS A 49 4.197 -45.482 -4.736 1.00 0.00 C ATOM 786 CE LYS A 49 5.446 -45.717 -5.605 1.00 0.00 C ATOM 787 NZ LYS A 49 6.459 -44.713 -5.302 1.00 0.00 N ATOM 0 H LYS A 49 1.649 -41.798 -6.980 1.00 0.00 H new ATOM 0 HA LYS A 49 4.122 -41.684 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.094 -43.597 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.584 -44.241 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.326 -43.353 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.722 -44.017 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.449 -45.713 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.427 -46.190 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.845 -46.715 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.179 -45.669 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.279 -44.847 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.062 -43.763 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.760 -44.812 -4.311 1.00 0.00 H new ATOM 801 N ALA A 50 4.511 -42.361 -8.840 1.00 0.00 N ATOM 802 CA ALA A 50 5.423 -42.147 -9.979 1.00 0.00 C ATOM 803 C ALA A 50 5.969 -40.702 -10.023 1.00 0.00 C ATOM 804 O ALA A 50 7.186 -40.502 -10.090 1.00 0.00 O ATOM 805 CB ALA A 50 4.630 -42.491 -11.259 1.00 0.00 C ATOM 0 H ALA A 50 3.605 -42.737 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 50 6.301 -42.786 -9.883 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.267 -42.347 -12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.303 -43.530 -11.216 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.759 -41.839 -11.334 1.00 0.00 H new ATOM 811 N PHE A 51 5.062 -39.714 -9.899 1.00 0.00 N ATOM 812 CA PHE A 51 5.386 -38.286 -9.827 1.00 0.00 C ATOM 813 C PHE A 51 6.398 -37.984 -8.710 1.00 0.00 C ATOM 814 O PHE A 51 7.423 -37.368 -8.995 1.00 0.00 O ATOM 815 CB PHE A 51 4.067 -37.498 -9.563 1.00 0.00 C ATOM 816 CG PHE A 51 4.138 -36.015 -9.943 1.00 0.00 C ATOM 817 CD1 PHE A 51 4.969 -35.111 -9.299 1.00 0.00 C ATOM 818 CD2 PHE A 51 3.463 -35.562 -11.059 1.00 0.00 C ATOM 819 CE1 PHE A 51 5.152 -33.830 -9.774 1.00 0.00 C ATOM 820 CE2 PHE A 51 3.637 -34.296 -11.536 1.00 0.00 C ATOM 821 CZ PHE A 51 4.493 -33.422 -10.908 1.00 0.00 C ATOM 0 H PHE A 51 4.060 -39.897 -9.845 1.00 0.00 H new ATOM 0 HA PHE A 51 5.841 -37.983 -10.770 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.258 -37.967 -10.123 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.813 -37.580 -8.506 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.486 -35.418 -8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.780 -36.227 -11.567 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.811 -33.149 -9.256 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.097 -33.977 -12.415 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.645 -32.428 -11.301 1.00 0.00 H new ATOM 831 N LYS A 52 6.131 -38.404 -7.462 1.00 0.00 N ATOM 832 CA LYS A 52 7.045 -38.198 -6.338 1.00 0.00 C ATOM 833 C LYS A 52 8.422 -38.860 -6.527 1.00 0.00 C ATOM 834 O LYS A 52 9.422 -38.217 -6.204 1.00 0.00 O ATOM 835 CB LYS A 52 6.406 -38.673 -5.000 1.00 0.00 C ATOM 836 CG LYS A 52 5.930 -37.530 -4.077 1.00 0.00 C ATOM 837 CD LYS A 52 4.631 -36.837 -4.536 1.00 0.00 C ATOM 838 CE LYS A 52 4.225 -35.783 -3.513 1.00 0.00 C ATOM 839 NZ LYS A 52 2.897 -35.281 -3.845 1.00 0.00 N ATOM 0 H LYS A 52 5.274 -38.896 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 52 7.218 -37.122 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.557 -39.318 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.133 -39.280 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.779 -37.929 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.721 -36.783 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.779 -36.374 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.835 -37.573 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.225 -36.212 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.946 -34.965 -3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.488 -34.806 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.968 -34.604 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.286 -36.074 -4.126 1.00 0.00 H new ATOM 853 N ASP A 53 8.519 -40.101 -7.043 1.00 0.00 N ATOM 854 CA ASP A 53 9.825 -40.720 -7.330 1.00 0.00 C ATOM 855 C ASP A 53 10.658 -39.948 -8.379 1.00 0.00 C ATOM 856 O ASP A 53 11.846 -39.648 -8.175 1.00 0.00 O ATOM 857 CB ASP A 53 9.633 -42.200 -7.762 1.00 0.00 C ATOM 858 CG ASP A 53 9.079 -43.087 -6.648 1.00 0.00 C ATOM 859 OD1 ASP A 53 9.380 -42.883 -5.474 1.00 0.00 O ATOM 860 OD2 ASP A 53 8.356 -44.033 -6.964 1.00 0.00 O ATOM 0 H ASP A 53 7.716 -40.689 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 53 10.398 -40.680 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.957 -42.237 -8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.590 -42.601 -8.095 1.00 0.00 H new ATOM 865 N CYS A 54 10.034 -39.615 -9.514 1.00 0.00 N ATOM 866 CA CYS A 54 10.659 -38.737 -10.500 1.00 0.00 C ATOM 867 C CYS A 54 10.900 -37.284 -10.020 1.00 0.00 C ATOM 868 O CYS A 54 11.887 -36.671 -10.433 1.00 0.00 O ATOM 869 CB CYS A 54 9.881 -38.802 -11.810 1.00 0.00 C ATOM 870 SG CYS A 54 10.242 -40.203 -12.910 1.00 0.00 S ATOM 0 H CYS A 54 9.101 -39.940 -9.769 1.00 0.00 H new ATOM 0 HA CYS A 54 11.668 -39.116 -10.662 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.817 -38.822 -11.573 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.067 -37.880 -12.362 1.00 0.00 H new ATOM 875 N CYS A 55 10.054 -36.694 -9.160 1.00 0.00 N ATOM 876 CA CYS A 55 10.360 -35.420 -8.492 1.00 0.00 C ATOM 877 C CYS A 55 11.546 -35.538 -7.507 1.00 0.00 C ATOM 878 O CYS A 55 12.290 -34.570 -7.312 1.00 0.00 O ATOM 879 CB CYS A 55 9.090 -34.848 -7.807 1.00 0.00 C ATOM 880 SG CYS A 55 8.752 -33.121 -8.249 1.00 0.00 S ATOM 0 H CYS A 55 9.145 -37.084 -8.910 1.00 0.00 H new ATOM 0 HA CYS A 55 10.679 -34.714 -9.259 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.231 -35.461 -8.081 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.204 -34.923 -6.726 1.00 0.00 H new ATOM 885 N TYR A 56 11.751 -36.708 -6.878 1.00 0.00 N ATOM 886 CA TYR A 56 13.015 -37.032 -6.211 1.00 0.00 C ATOM 887 C TYR A 56 14.220 -37.101 -7.166 1.00 0.00 C ATOM 888 O TYR A 56 15.253 -36.555 -6.766 1.00 0.00 O ATOM 889 CB TYR A 56 12.910 -38.305 -5.333 1.00 0.00 C ATOM 890 CG TYR A 56 12.390 -37.959 -3.930 1.00 0.00 C ATOM 891 CD1 TYR A 56 11.038 -37.868 -3.652 1.00 0.00 C ATOM 892 CD2 TYR A 56 13.268 -37.726 -2.884 1.00 0.00 C ATOM 893 CE1 TYR A 56 10.576 -37.560 -2.388 1.00 0.00 C ATOM 894 CE2 TYR A 56 12.817 -37.416 -1.615 1.00 0.00 C ATOM 895 CZ TYR A 56 11.467 -37.335 -1.371 1.00 0.00 C ATOM 896 OH TYR A 56 11.002 -37.034 -0.132 1.00 0.00 O ATOM 0 H TYR A 56 11.050 -37.447 -6.820 1.00 0.00 H new ATOM 0 HA TYR A 56 13.207 -36.190 -5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.242 -39.024 -5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.888 -38.781 -5.256 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.325 -38.042 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.331 -37.788 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.514 -37.496 -2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.523 -37.238 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 56 11.758 -36.904 0.478 1.00 0.00 H new ATOM 906 N ILE A 57 14.205 -37.703 -8.381 1.00 0.00 N ATOM 907 CA ILE A 57 15.349 -37.499 -9.300 1.00 0.00 C ATOM 908 C ILE A 57 15.496 -36.058 -9.843 1.00 0.00 C ATOM 909 O ILE A 57 16.625 -35.636 -10.102 1.00 0.00 O ATOM 910 CB ILE A 57 15.674 -38.616 -10.358 1.00 0.00 C ATOM 911 CG1 ILE A 57 14.563 -39.132 -11.286 1.00 0.00 C ATOM 912 CG2 ILE A 57 16.354 -39.826 -9.689 1.00 0.00 C ATOM 913 CD1 ILE A 57 14.034 -38.095 -12.277 1.00 0.00 C ATOM 0 H ILE A 57 13.458 -38.301 -8.733 1.00 0.00 H new ATOM 0 HA ILE A 57 16.169 -37.645 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 57 16.329 -38.065 -11.033 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.941 -39.989 -11.843 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.734 -39.489 -10.676 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.569 -40.585 -10.442 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.285 -39.507 -9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.690 -40.244 -8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.254 -38.544 -12.892 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.622 -37.246 -11.731 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.848 -37.754 -12.916 1.00 0.00 H new ATOM 925 N ALA A 58 14.411 -35.279 -9.998 1.00 0.00 N ATOM 926 CA ALA A 58 14.483 -33.830 -10.236 1.00 0.00 C ATOM 927 C ALA A 58 15.157 -33.050 -9.079 1.00 0.00 C ATOM 928 O ALA A 58 15.885 -32.077 -9.311 1.00 0.00 O ATOM 929 CB ALA A 58 13.065 -33.306 -10.470 1.00 0.00 C ATOM 0 H ALA A 58 13.458 -35.640 -9.961 1.00 0.00 H new ATOM 0 HA ALA A 58 15.111 -33.668 -11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.099 -32.231 -10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.631 -33.804 -11.337 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.453 -33.509 -9.591 1.00 0.00 H new ATOM 935 N ASN A 59 14.889 -33.435 -7.820 1.00 0.00 N ATOM 936 CA ASN A 59 15.662 -32.979 -6.659 1.00 0.00 C ATOM 937 C ASN A 59 17.109 -33.500 -6.612 1.00 0.00 C ATOM 938 O ASN A 59 17.990 -32.739 -6.210 1.00 0.00 O ATOM 939 CB ASN A 59 14.919 -33.282 -5.339 1.00 0.00 C ATOM 940 CG ASN A 59 13.807 -32.262 -5.126 1.00 0.00 C ATOM 941 OD1 ASN A 59 14.014 -31.242 -4.478 1.00 0.00 O ATOM 942 ND2 ASN A 59 12.617 -32.461 -5.657 1.00 0.00 N ATOM 0 H ASN A 59 14.129 -34.072 -7.581 1.00 0.00 H new ATOM 0 HA ASN A 59 15.748 -31.899 -6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.501 -34.288 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.618 -33.252 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.878 -31.770 -5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.435 -33.306 -6.198 1.00 0.00 H new ATOM 949 N GLN A 60 17.394 -34.756 -6.988 1.00 0.00 N ATOM 950 CA GLN A 60 18.773 -35.225 -7.183 1.00 0.00 C ATOM 951 C GLN A 60 19.528 -34.453 -8.282 1.00 0.00 C ATOM 952 O GLN A 60 20.729 -34.235 -8.124 1.00 0.00 O ATOM 953 CB GLN A 60 18.825 -36.741 -7.462 1.00 0.00 C ATOM 954 CG GLN A 60 18.398 -37.583 -6.232 1.00 0.00 C ATOM 955 CD GLN A 60 18.327 -39.084 -6.519 1.00 0.00 C ATOM 956 OE1 GLN A 60 17.510 -39.784 -5.928 1.00 0.00 O ATOM 957 NE2 GLN A 60 19.122 -39.707 -7.373 1.00 0.00 N ATOM 0 H GLN A 60 16.684 -35.467 -7.163 1.00 0.00 H new ATOM 0 HA GLN A 60 19.285 -35.024 -6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.173 -36.975 -8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.837 -37.019 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.103 -37.409 -5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.423 -37.240 -5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.822 -39.180 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.035 -40.714 -7.509 1.00 0.00 H new ATOM 966 N VAL A 61 18.892 -34.037 -9.388 1.00 0.00 N ATOM 967 CA VAL A 61 19.489 -33.078 -10.333 1.00 0.00 C ATOM 968 C VAL A 61 19.724 -31.684 -9.706 1.00 0.00 C ATOM 969 O VAL A 61 20.781 -31.091 -9.927 1.00 0.00 O ATOM 970 CB VAL A 61 18.653 -33.013 -11.658 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.165 -31.976 -12.685 1.00 0.00 C ATOM 972 CG2 VAL A 61 18.650 -34.377 -12.381 1.00 0.00 C ATOM 0 H VAL A 61 17.958 -34.352 -9.652 1.00 0.00 H new ATOM 0 HA VAL A 61 20.483 -33.446 -10.588 1.00 0.00 H new ATOM 0 HB VAL A 61 17.657 -32.719 -11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.530 -31.997 -13.571 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.137 -30.981 -12.242 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.190 -32.219 -12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.063 -34.302 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.673 -34.660 -12.628 1.00 0.00 H new ATOM 0 HG23 VAL A 61 18.212 -35.133 -11.730 1.00 0.00 H new ATOM 982 N ARG A 62 18.777 -31.138 -8.925 1.00 0.00 N ATOM 983 CA ARG A 62 18.985 -29.893 -8.171 1.00 0.00 C ATOM 984 C ARG A 62 20.073 -29.991 -7.072 1.00 0.00 C ATOM 985 O ARG A 62 20.890 -29.076 -6.951 1.00 0.00 O ATOM 986 CB ARG A 62 17.613 -29.424 -7.607 1.00 0.00 C ATOM 987 CG ARG A 62 17.643 -28.051 -6.885 1.00 0.00 C ATOM 988 CD ARG A 62 16.255 -27.453 -6.587 1.00 0.00 C ATOM 989 NE ARG A 62 15.538 -28.250 -5.586 1.00 0.00 N ATOM 990 CZ ARG A 62 14.497 -27.833 -4.916 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.993 -26.657 -4.968 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.884 -28.663 -4.169 1.00 0.00 N ATOM 0 H ARG A 62 17.850 -31.546 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 62 19.380 -29.145 -8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.897 -29.372 -8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.245 -30.177 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.186 -28.161 -5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.204 -27.345 -7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.366 -26.429 -6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.671 -27.408 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 62 15.875 -29.195 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.410 -25.950 -5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.175 -26.427 -4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.209 -29.628 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.068 -28.363 -3.635 1.00 0.00 H new ATOM 1006 N ALA A 63 20.114 -31.060 -6.260 1.00 0.00 N ATOM 1007 CA ALA A 63 21.085 -31.190 -5.167 1.00 0.00 C ATOM 1008 C ALA A 63 22.351 -32.035 -5.443 1.00 0.00 C ATOM 1009 O ALA A 63 23.417 -31.655 -4.957 1.00 0.00 O ATOM 1010 CB ALA A 63 20.330 -31.736 -3.937 1.00 0.00 C ATOM 0 H ALA A 63 19.478 -31.853 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 63 21.494 -30.192 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.024 -31.845 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.536 -31.042 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 63 19.896 -32.707 -4.178 1.00 0.00 H new ATOM 1016 N GLU A 64 22.322 -33.153 -6.189 1.00 0.00 N ATOM 1017 CA GLU A 64 23.437 -34.116 -6.211 1.00 0.00 C ATOM 1018 C GLU A 64 24.077 -34.326 -7.599 1.00 0.00 C ATOM 1019 O GLU A 64 25.297 -34.251 -7.741 1.00 0.00 O ATOM 1020 CB GLU A 64 22.944 -35.497 -5.683 1.00 0.00 C ATOM 1021 CG GLU A 64 22.516 -35.527 -4.186 1.00 0.00 C ATOM 1022 CD GLU A 64 21.965 -36.895 -3.779 1.00 0.00 C ATOM 1023 OE1 GLU A 64 22.749 -37.760 -3.396 1.00 0.00 O ATOM 1024 OE2 GLU A 64 20.753 -37.081 -3.857 1.00 0.00 O ATOM 0 H GLU A 64 21.537 -33.412 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 64 24.207 -33.685 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.099 -35.818 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.739 -36.228 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.372 -35.279 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.759 -34.763 -4.009 1.00 0.00 H new ATOM 1031 N GLN A 65 23.277 -34.618 -8.630 1.00 0.00 N ATOM 1032 CA GLN A 65 23.774 -35.083 -9.928 1.00 0.00 C ATOM 1033 C GLN A 65 23.753 -34.009 -11.038 1.00 0.00 C ATOM 1034 O GLN A 65 24.827 -33.668 -11.529 1.00 0.00 O ATOM 1035 CB GLN A 65 22.940 -36.335 -10.347 1.00 0.00 C ATOM 1036 CG GLN A 65 23.094 -37.552 -9.389 1.00 0.00 C ATOM 1037 CD GLN A 65 22.082 -38.650 -9.713 1.00 0.00 C ATOM 1038 OE1 GLN A 65 21.069 -38.800 -9.041 1.00 0.00 O ATOM 1039 NE2 GLN A 65 22.295 -39.463 -10.728 1.00 0.00 N ATOM 0 H GLN A 65 22.261 -34.538 -8.587 1.00 0.00 H new ATOM 0 HA GLN A 65 24.828 -35.334 -9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 65 21.887 -36.057 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.238 -36.637 -11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.105 -37.952 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 65 22.960 -37.224 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 65 23.132 -39.355 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 65 21.623 -40.200 -10.941 1.00 0.00 H new ATOM 1048 N SER A 66 22.677 -33.549 -11.425 1.00 0.00 N TER 1049 SER A 66