USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 13 ASN : amide:sc= -2.33! C(o=-2.3!,f=-3.7!) USER MOD Single : A 15 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.1) USER MOD Single : A 16 ASN :FLIP amide:sc= 0.348 F(o=-1.1,f=0.35) USER MOD Single : A 21 THR OG1 : rot 88:sc= 1.06 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0122 F(o=-0.74,f=-0.012) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.155) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 48 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 61 THR OG1 : rot 53:sc= 0.0247 USER MOD Single : A 63 GLN : amide:sc= -0.928 X(o=-0.93,f=-1.1) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -20.3! C(o=-22!,f=-20!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.139 USER MOD Single : A 70 LYS NZ :NH3+ -110:sc= -0.0741 (180deg=-0.317) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.52 F(o=-2.9!,f=-1.5) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.254 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.8) USER MOD Single : A 105 MET CE :methyl -143:sc= -1.26 (180deg=-3.25!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.7) USER MOD Single : A 119 ASN : amide:sc= -6.53! C(o=-6.5!,f=-9.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -5.932 -18.824 -0.625 1.00 0.00 N ATOM 43 CA LYS A 3 -5.168 -17.689 -0.120 1.00 0.00 C ATOM 44 C LYS A 3 -5.337 -16.479 -1.033 1.00 0.00 C ATOM 45 O LYS A 3 -5.671 -16.621 -2.209 1.00 0.00 O ATOM 46 CB LYS A 3 -3.687 -18.053 -0.004 1.00 0.00 C ATOM 47 CG LYS A 3 -3.064 -18.492 -1.319 1.00 0.00 C ATOM 48 CD LYS A 3 -3.491 -19.900 -1.701 1.00 0.00 C ATOM 49 CE LYS A 3 -2.295 -20.826 -1.853 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.529 -21.872 -2.887 1.00 0.00 N ATOM 0 HA LYS A 3 -5.548 -17.435 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.139 -17.192 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.574 -18.854 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.352 -17.798 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.978 -18.450 -1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.164 -20.296 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.050 -19.870 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.415 -20.241 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.081 -21.303 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.690 -22.482 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.353 -22.447 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.707 -21.418 -3.806 1.00 0.00 H new ATOM 64 N LEU A 4 -5.092 -15.289 -0.493 1.00 0.00 N ATOM 65 CA LEU A 4 -5.205 -14.058 -1.270 1.00 0.00 C ATOM 66 C LEU A 4 -4.174 -13.035 -0.796 1.00 0.00 C ATOM 67 O LEU A 4 -4.168 -12.655 0.374 1.00 0.00 O ATOM 68 CB LEU A 4 -6.620 -13.486 -1.156 1.00 0.00 C ATOM 69 CG LEU A 4 -7.020 -13.014 0.243 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.778 -11.520 0.390 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.478 -13.348 0.522 1.00 0.00 C ATOM 0 H LEU A 4 -4.814 -15.150 0.479 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.008 -14.287 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.712 -12.647 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.330 -14.246 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.402 -13.537 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.068 -11.201 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.721 -11.305 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.371 -10.981 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.745 -13.005 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.112 -12.852 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.623 -14.426 0.458 1.00 0.00 H new ATOM 83 N GLN A 5 -3.283 -12.612 -1.694 1.00 0.00 N ATOM 84 CA GLN A 5 -2.235 -11.661 -1.340 1.00 0.00 C ATOM 85 C GLN A 5 -2.535 -10.246 -1.816 1.00 0.00 C ATOM 86 O GLN A 5 -3.137 -10.033 -2.866 1.00 0.00 O ATOM 87 CB GLN A 5 -0.912 -12.108 -1.954 1.00 0.00 C ATOM 88 CG GLN A 5 -0.620 -13.579 -1.745 1.00 0.00 C ATOM 89 CD GLN A 5 0.765 -13.977 -2.216 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.621 -13.125 -2.454 1.00 0.00 O ATOM 91 NE2 GLN A 5 0.991 -15.278 -2.353 1.00 0.00 N ATOM 0 H GLN A 5 -3.268 -12.913 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.180 -11.643 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.926 -11.896 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.102 -11.519 -1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.721 -13.818 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.364 -14.171 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.252 -15.949 -2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.904 -15.607 -2.667 1.00 0.00 H new ATOM 100 N ILE A 6 -2.063 -9.286 -1.038 1.00 0.00 N ATOM 101 CA ILE A 6 -2.204 -7.871 -1.341 1.00 0.00 C ATOM 102 C ILE A 6 -0.975 -7.150 -0.795 1.00 0.00 C ATOM 103 O ILE A 6 -0.598 -7.383 0.351 1.00 0.00 O ATOM 104 CB ILE A 6 -3.486 -7.282 -0.714 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.722 -7.803 -1.451 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.454 -5.760 -0.738 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.438 -8.914 -0.717 1.00 0.00 C ATOM 0 H ILE A 6 -1.565 -9.470 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.284 -7.739 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.536 -7.602 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.416 -6.977 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.423 -8.162 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.368 -5.370 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.593 -5.405 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.378 -5.414 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.304 -9.234 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.760 -9.757 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.767 -8.553 0.257 1.00 0.00 H new ATOM 119 N ALA A 7 -0.336 -6.282 -1.574 1.00 0.00 N ATOM 120 CA ALA A 7 0.837 -5.574 -1.076 1.00 0.00 C ATOM 121 C ALA A 7 0.638 -4.083 -1.240 1.00 0.00 C ATOM 122 O ALA A 7 0.374 -3.630 -2.340 1.00 0.00 O ATOM 123 CB ALA A 7 2.084 -6.029 -1.822 1.00 0.00 C ATOM 0 H ALA A 7 -0.603 -6.056 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 7 0.969 -5.800 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.953 -5.492 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.226 -7.100 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.968 -5.821 -2.886 1.00 0.00 H new ATOM 129 N VAL A 8 0.768 -3.318 -0.165 1.00 0.00 N ATOM 130 CA VAL A 8 0.581 -1.873 -0.254 1.00 0.00 C ATOM 131 C VAL A 8 1.816 -1.108 0.194 1.00 0.00 C ATOM 132 O VAL A 8 2.697 -1.652 0.854 1.00 0.00 O ATOM 133 CB VAL A 8 -0.655 -1.389 0.544 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.566 -2.554 0.907 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.241 -0.618 1.793 1.00 0.00 C ATOM 0 H VAL A 8 0.999 -3.665 0.766 1.00 0.00 H new ATOM 0 HA VAL A 8 0.408 -1.662 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.214 -0.710 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.425 -2.184 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.910 -3.044 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.016 -3.269 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.131 -0.292 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.357 -1.263 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.348 0.253 1.505 1.00 0.00 H new ATOM 145 N GLY A 9 1.875 0.161 -0.188 1.00 0.00 N ATOM 146 CA GLY A 9 3.008 0.979 0.171 1.00 0.00 C ATOM 147 C GLY A 9 2.663 2.442 0.374 1.00 0.00 C ATOM 148 O GLY A 9 1.781 2.987 -0.288 1.00 0.00 O ATOM 0 H GLY A 9 1.159 0.634 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.451 0.589 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.765 0.898 -0.609 1.00 0.00 H new ATOM 152 N ILE A 10 3.406 3.077 1.268 1.00 0.00 N ATOM 153 CA ILE A 10 3.245 4.498 1.563 1.00 0.00 C ATOM 154 C ILE A 10 4.370 5.248 0.860 1.00 0.00 C ATOM 155 O ILE A 10 5.535 4.987 1.132 1.00 0.00 O ATOM 156 CB ILE A 10 3.308 4.790 3.088 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.604 3.519 3.896 1.00 0.00 C ATOM 158 CG2 ILE A 10 2.013 5.426 3.565 1.00 0.00 C ATOM 159 CD1 ILE A 10 2.497 2.488 3.839 1.00 0.00 C ATOM 0 H ILE A 10 4.140 2.623 1.812 1.00 0.00 H new ATOM 0 HA ILE A 10 2.265 4.821 1.212 1.00 0.00 H new ATOM 0 HB ILE A 10 4.127 5.489 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.525 3.070 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.779 3.793 4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.077 5.623 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.850 6.363 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.182 4.749 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.778 1.619 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.578 2.918 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.336 2.184 2.805 1.00 0.00 H new ATOM 171 N ILE A 11 4.030 6.168 -0.042 1.00 0.00 N ATOM 172 CA ILE A 11 5.051 6.919 -0.777 1.00 0.00 C ATOM 173 C ILE A 11 5.639 8.074 0.030 1.00 0.00 C ATOM 174 O ILE A 11 4.950 9.030 0.377 1.00 0.00 O ATOM 175 CB ILE A 11 4.519 7.481 -2.109 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.388 6.609 -2.666 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.661 7.582 -3.114 1.00 0.00 C ATOM 178 CD1 ILE A 11 3.223 6.724 -4.166 1.00 0.00 C ATOM 0 H ILE A 11 3.068 6.410 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 11 5.837 6.191 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 11 4.110 8.475 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.581 5.568 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.452 6.889 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.283 7.980 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.432 8.246 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.086 6.592 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.406 6.081 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.999 7.758 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.146 6.416 -4.658 1.00 0.00 H new ATOM 190 N ARG A 12 6.921 7.980 0.317 1.00 0.00 N ATOM 191 CA ARG A 12 7.578 9.022 1.095 1.00 0.00 C ATOM 192 C ARG A 12 7.845 10.205 0.195 1.00 0.00 C ATOM 193 O ARG A 12 8.011 10.043 -1.017 1.00 0.00 O ATOM 194 CB ARG A 12 8.880 8.530 1.716 1.00 0.00 C ATOM 195 CG ARG A 12 8.800 8.353 3.223 1.00 0.00 C ATOM 196 CD ARG A 12 9.728 9.311 3.952 1.00 0.00 C ATOM 197 NE ARG A 12 11.135 8.976 3.744 1.00 0.00 N ATOM 198 CZ ARG A 12 12.123 9.404 4.526 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.864 10.185 5.568 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.374 9.051 4.266 1.00 0.00 N ATOM 0 H ARG A 12 7.524 7.209 0.031 1.00 0.00 H new ATOM 0 HA ARG A 12 6.920 9.311 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.155 7.579 1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.676 9.237 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.775 8.517 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.059 7.327 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.543 10.328 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.505 9.291 5.019 1.00 0.00 H new ATOM 0 HE ARG A 12 11.374 8.379 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.903 10.460 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.626 10.510 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.579 8.451 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.131 9.379 4.865 1.00 0.00 H new ATOM 214 N ASN A 13 7.885 11.390 0.797 1.00 0.00 N ATOM 215 CA ASN A 13 8.106 12.621 0.053 1.00 0.00 C ATOM 216 C ASN A 13 9.349 13.373 0.501 1.00 0.00 C ATOM 217 O ASN A 13 10.024 13.014 1.465 1.00 0.00 O ATOM 218 CB ASN A 13 6.884 13.521 0.197 1.00 0.00 C ATOM 219 CG ASN A 13 6.988 14.839 -0.545 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.209 14.867 -1.757 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.829 15.940 0.179 1.00 0.00 N ATOM 0 H ASN A 13 7.767 11.522 1.802 1.00 0.00 H new ATOM 0 HA ASN A 13 8.263 12.344 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.007 12.983 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.721 13.725 1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.888 16.856 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.648 15.870 1.180 1.00 0.00 H new ATOM 228 N GLU A 14 9.623 14.423 -0.251 1.00 0.00 N ATOM 229 CA GLU A 14 10.766 15.297 -0.033 1.00 0.00 C ATOM 230 C GLU A 14 10.941 15.648 1.433 1.00 0.00 C ATOM 231 O GLU A 14 12.055 15.651 1.958 1.00 0.00 O ATOM 232 CB GLU A 14 10.595 16.572 -0.863 1.00 0.00 C ATOM 233 CG GLU A 14 11.614 17.657 -0.550 1.00 0.00 C ATOM 234 CD GLU A 14 11.035 18.772 0.298 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.919 19.237 -0.014 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.698 19.180 1.275 1.00 0.00 O ATOM 0 H GLU A 14 9.047 14.699 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 14 11.664 14.765 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.665 16.317 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.594 16.970 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.463 17.214 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.993 18.074 -1.483 1.00 0.00 H new ATOM 243 N ASN A 15 9.841 15.970 2.075 1.00 0.00 N ATOM 244 CA ASN A 15 9.868 16.363 3.484 1.00 0.00 C ATOM 245 C ASN A 15 9.814 15.155 4.414 1.00 0.00 C ATOM 246 O ASN A 15 10.797 14.820 5.076 1.00 0.00 O ATOM 247 CB ASN A 15 8.702 17.305 3.790 1.00 0.00 C ATOM 248 CG ASN A 15 8.734 17.822 5.216 1.00 0.00 C ATOM 249 OD1 ASN A 15 8.386 17.107 6.155 1.00 0.00 O ATOM 250 ND2 ASN A 15 9.153 19.071 5.384 1.00 0.00 N ATOM 0 H ASN A 15 8.912 15.971 1.653 1.00 0.00 H new ATOM 0 HA ASN A 15 10.812 16.878 3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.729 18.148 3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.761 16.782 3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.196 19.473 6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.432 19.628 4.577 1.00 0.00 H new ATOM 257 N ASN A 16 8.656 14.510 4.450 1.00 0.00 N ATOM 258 CA ASN A 16 8.439 13.327 5.294 1.00 0.00 C ATOM 259 C ASN A 16 6.950 12.971 5.413 1.00 0.00 C ATOM 260 O ASN A 16 6.557 12.225 6.310 1.00 0.00 O ATOM 261 CB ASN A 16 9.024 13.545 6.691 1.00 0.00 C ATOM 262 CG ASN A 16 10.181 12.612 6.988 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.884 11.484 7.622 1.00 0.00 O flip ATOM 264 ND2 ASN A 16 11.329 12.902 6.652 1.00 0.00 N flip ATOM 0 H ASN A 16 7.841 14.784 3.901 1.00 0.00 H new ATOM 0 HA ASN A 16 8.950 12.495 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.361 14.577 6.783 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.242 13.397 7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.512 13.780 6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.098 12.264 6.859 1.00 0.00 H new ATOM 271 N GLU A 17 6.128 13.496 4.506 1.00 0.00 N ATOM 272 CA GLU A 17 4.701 13.227 4.506 1.00 0.00 C ATOM 273 C GLU A 17 4.360 12.393 3.282 1.00 0.00 C ATOM 274 O GLU A 17 4.867 12.659 2.191 1.00 0.00 O ATOM 275 CB GLU A 17 3.912 14.537 4.489 1.00 0.00 C ATOM 276 CG GLU A 17 4.713 15.752 4.933 1.00 0.00 C ATOM 277 CD GLU A 17 3.854 16.990 5.095 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.122 17.334 4.142 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.913 17.617 6.173 1.00 0.00 O ATOM 0 H GLU A 17 6.435 14.116 3.757 1.00 0.00 H new ATOM 0 HA GLU A 17 4.432 12.681 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.539 14.711 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.042 14.433 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.207 15.531 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.497 15.952 4.203 1.00 0.00 H new ATOM 286 N ILE A 18 3.594 11.330 3.469 1.00 0.00 N ATOM 287 CA ILE A 18 3.314 10.409 2.374 1.00 0.00 C ATOM 288 C ILE A 18 1.931 10.581 1.763 1.00 0.00 C ATOM 289 O ILE A 18 0.906 10.461 2.434 1.00 0.00 O ATOM 290 CB ILE A 18 3.460 8.950 2.878 1.00 0.00 C ATOM 291 CG1 ILE A 18 3.110 7.932 1.792 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.598 8.712 4.109 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.658 7.897 1.407 1.00 0.00 C ATOM 0 H ILE A 18 3.158 11.083 4.358 1.00 0.00 H new ATOM 0 HA ILE A 18 4.037 10.637 1.591 1.00 0.00 H new ATOM 0 HB ILE A 18 4.508 8.810 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.702 8.151 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.405 6.940 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.718 7.681 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.906 9.390 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.552 8.894 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.505 7.146 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.056 7.645 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.358 8.875 1.030 1.00 0.00 H new ATOM 305 N PHE A 19 1.939 10.867 0.463 1.00 0.00 N ATOM 306 CA PHE A 19 0.724 11.067 -0.309 1.00 0.00 C ATOM 307 C PHE A 19 -0.161 9.815 -0.312 1.00 0.00 C ATOM 308 O PHE A 19 0.064 8.872 -1.072 1.00 0.00 O ATOM 309 CB PHE A 19 1.081 11.492 -1.749 1.00 0.00 C ATOM 310 CG PHE A 19 0.536 10.590 -2.824 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.822 10.559 -3.098 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.380 9.769 -3.553 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.328 9.728 -4.078 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.880 8.936 -4.536 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.475 8.915 -4.798 1.00 0.00 C ATOM 0 H PHE A 19 2.795 10.966 -0.083 1.00 0.00 H new ATOM 0 HA PHE A 19 0.149 11.863 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.709 12.502 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.166 11.532 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.493 11.193 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.441 9.780 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.389 9.714 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.549 8.302 -5.099 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.868 8.264 -5.565 1.00 0.00 H new ATOM 325 N ILE A 20 -1.182 9.832 0.529 1.00 0.00 N ATOM 326 CA ILE A 20 -2.124 8.722 0.599 1.00 0.00 C ATOM 327 C ILE A 20 -3.411 9.137 -0.105 1.00 0.00 C ATOM 328 O ILE A 20 -3.870 10.267 0.066 1.00 0.00 O ATOM 329 CB ILE A 20 -2.464 8.281 2.049 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.515 8.911 3.074 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.416 6.765 2.156 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.126 9.055 4.451 1.00 0.00 C ATOM 0 H ILE A 20 -1.381 10.599 1.172 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.649 7.868 0.116 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.472 8.631 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.614 8.302 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.207 9.894 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.656 6.464 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.141 6.329 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.417 6.414 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.400 9.508 5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.011 9.689 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.408 8.072 4.828 1.00 0.00 H new ATOM 344 N THR A 21 -3.994 8.247 -0.898 1.00 0.00 N ATOM 345 CA THR A 21 -5.223 8.589 -1.605 1.00 0.00 C ATOM 346 C THR A 21 -6.372 8.705 -0.617 1.00 0.00 C ATOM 347 O THR A 21 -6.793 7.714 -0.032 1.00 0.00 O ATOM 348 CB THR A 21 -5.550 7.539 -2.671 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.881 7.693 -3.131 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.398 6.116 -2.182 1.00 0.00 C ATOM 0 H THR A 21 -3.646 7.303 -1.066 1.00 0.00 H new ATOM 0 HA THR A 21 -5.079 9.548 -2.104 1.00 0.00 H new ATOM 0 HB THR A 21 -4.829 7.708 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.899 8.333 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.646 5.426 -2.988 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.369 5.949 -1.864 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.070 5.947 -1.341 1.00 0.00 H new ATOM 358 N ARG A 22 -6.862 9.928 -0.426 1.00 0.00 N ATOM 359 CA ARG A 22 -7.952 10.178 0.511 1.00 0.00 C ATOM 360 C ARG A 22 -9.121 10.883 -0.168 1.00 0.00 C ATOM 361 O ARG A 22 -8.951 11.928 -0.794 1.00 0.00 O ATOM 362 CB ARG A 22 -7.452 11.023 1.683 1.00 0.00 C ATOM 363 CG ARG A 22 -8.505 11.263 2.752 1.00 0.00 C ATOM 364 CD ARG A 22 -7.883 11.755 4.050 1.00 0.00 C ATOM 365 NE ARG A 22 -8.057 13.194 4.229 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.259 14.113 3.689 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.227 13.749 2.937 1.00 0.00 N ATOM 368 NH2 ARG A 22 -7.493 15.401 3.902 1.00 0.00 N ATOM 0 H ARG A 22 -6.521 10.760 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.303 9.214 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.592 10.529 2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.104 11.984 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.228 11.996 2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.053 10.339 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.334 11.228 4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.820 11.515 4.056 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.837 13.514 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.041 12.760 2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.620 14.458 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.284 15.687 4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.882 16.106 3.489 1.00 0.00 H new ATOM 493 N ASN A 31 -13.867 6.540 2.511 1.00 0.00 N ATOM 494 CA ASN A 31 -13.286 5.325 3.070 1.00 0.00 C ATOM 495 C ASN A 31 -12.226 4.741 2.138 1.00 0.00 C ATOM 496 O ASN A 31 -11.956 3.540 2.169 1.00 0.00 O ATOM 497 CB ASN A 31 -14.379 4.288 3.332 1.00 0.00 C ATOM 498 CG ASN A 31 -14.194 3.575 4.657 1.00 0.00 C ATOM 499 OD1 ASN A 31 -13.354 2.546 4.664 1.00 0.00 O flip ATOM 500 ND2 ASN A 31 -14.798 3.945 5.664 1.00 0.00 N flip ATOM 0 HA ASN A 31 -12.805 5.586 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.352 4.779 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.381 3.555 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.434 4.741 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.662 3.456 6.549 1.00 0.00 H new ATOM 507 N LYS A 32 -11.627 5.593 1.309 1.00 0.00 N ATOM 508 CA LYS A 32 -10.599 5.151 0.372 1.00 0.00 C ATOM 509 C LYS A 32 -9.242 5.754 0.711 1.00 0.00 C ATOM 510 O LYS A 32 -8.382 5.906 -0.156 1.00 0.00 O ATOM 511 CB LYS A 32 -10.991 5.504 -1.064 1.00 0.00 C ATOM 512 CG LYS A 32 -10.270 4.673 -2.113 1.00 0.00 C ATOM 513 CD LYS A 32 -10.481 3.185 -1.886 1.00 0.00 C ATOM 514 CE LYS A 32 -10.080 2.373 -3.107 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.931 0.927 -2.788 1.00 0.00 N ATOM 0 H LYS A 32 -11.836 6.591 1.268 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.518 4.067 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.066 5.369 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.781 6.559 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.630 4.945 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.204 4.898 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.897 2.861 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.528 2.997 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.830 2.497 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.140 2.756 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.657 0.408 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.197 0.806 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.835 0.555 -2.433 1.00 0.00 H new ATOM 529 N LEU A 33 -9.064 6.089 1.977 1.00 0.00 N ATOM 530 CA LEU A 33 -7.816 6.677 2.459 1.00 0.00 C ATOM 531 C LEU A 33 -6.722 5.615 2.570 1.00 0.00 C ATOM 532 O LEU A 33 -6.195 5.364 3.654 1.00 0.00 O ATOM 533 CB LEU A 33 -8.048 7.339 3.819 1.00 0.00 C ATOM 534 CG LEU A 33 -7.078 8.466 4.176 1.00 0.00 C ATOM 535 CD1 LEU A 33 -7.331 8.958 5.593 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.635 8.008 4.022 1.00 0.00 C ATOM 0 H LEU A 33 -9.773 5.964 2.700 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.487 7.430 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.063 7.736 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.988 6.573 4.592 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.249 9.292 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.632 9.760 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.352 9.332 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.191 8.135 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.964 8.827 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.449 7.162 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.457 7.706 2.990 1.00 0.00 H new ATOM 548 N GLU A 34 -6.386 4.984 1.446 1.00 0.00 N ATOM 549 CA GLU A 34 -5.366 3.936 1.435 1.00 0.00 C ATOM 550 C GLU A 34 -4.175 4.302 0.554 1.00 0.00 C ATOM 551 O GLU A 34 -4.077 5.420 0.049 1.00 0.00 O ATOM 552 CB GLU A 34 -5.972 2.611 0.968 1.00 0.00 C ATOM 553 CG GLU A 34 -5.538 1.417 1.801 1.00 0.00 C ATOM 554 CD GLU A 34 -5.577 0.116 1.023 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.662 -0.498 0.948 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.523 -0.289 0.491 1.00 0.00 O ATOM 0 H GLU A 34 -6.802 5.179 0.535 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.001 3.830 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.059 2.688 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.692 2.439 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.526 1.585 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.186 1.333 2.674 1.00 0.00 H new ATOM 563 N PHE A 35 -3.259 3.347 0.393 1.00 0.00 N ATOM 564 CA PHE A 35 -2.054 3.555 -0.407 1.00 0.00 C ATOM 565 C PHE A 35 -1.961 2.567 -1.578 1.00 0.00 C ATOM 566 O PHE A 35 -2.663 1.556 -1.611 1.00 0.00 O ATOM 567 CB PHE A 35 -0.802 3.420 0.473 1.00 0.00 C ATOM 568 CG PHE A 35 -1.081 3.314 1.947 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.631 2.161 2.482 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.784 4.366 2.796 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.882 2.061 3.837 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.032 4.274 4.151 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.581 3.119 4.672 1.00 0.00 C ATOM 0 H PHE A 35 -3.330 2.418 0.808 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.113 4.562 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.246 2.537 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.157 4.282 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.866 1.331 1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.353 5.271 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.313 1.157 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.797 5.103 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.775 3.043 5.732 1.00 0.00 H new ATOM 583 N PRO A 36 -1.052 2.842 -2.538 1.00 0.00 N ATOM 584 CA PRO A 36 -0.806 1.979 -3.708 1.00 0.00 C ATOM 585 C PRO A 36 -0.553 0.529 -3.304 1.00 0.00 C ATOM 586 O PRO A 36 -0.332 0.245 -2.127 1.00 0.00 O ATOM 587 CB PRO A 36 0.467 2.571 -4.342 1.00 0.00 C ATOM 588 CG PRO A 36 1.024 3.503 -3.321 1.00 0.00 C ATOM 589 CD PRO A 36 -0.155 4.008 -2.547 1.00 0.00 C ATOM 0 HA PRO A 36 -1.664 1.959 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.183 1.787 -4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.236 3.097 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.731 2.991 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.563 4.324 -3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.123 4.314 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.616 4.871 -3.027 1.00 0.00 H new ATOM 597 N GLY A 37 -0.564 -0.391 -4.275 1.00 0.00 N ATOM 598 CA GLY A 37 -0.308 -1.783 -3.945 1.00 0.00 C ATOM 599 C GLY A 37 -1.537 -2.667 -3.874 1.00 0.00 C ATOM 600 O GLY A 37 -1.849 -3.254 -2.837 1.00 0.00 O ATOM 0 H GLY A 37 -0.742 -0.200 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.374 -2.196 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.205 -1.823 -2.984 1.00 0.00 H new ATOM 604 N GLY A 38 -2.221 -2.760 -4.986 1.00 0.00 N ATOM 605 CA GLY A 38 -3.412 -3.583 -5.082 1.00 0.00 C ATOM 606 C GLY A 38 -3.397 -4.481 -6.311 1.00 0.00 C ATOM 607 O GLY A 38 -3.525 -3.986 -7.431 1.00 0.00 O ATOM 0 H GLY A 38 -1.975 -2.273 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.499 -4.198 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.293 -2.941 -5.114 1.00 0.00 H new ATOM 611 N LYS A 39 -3.247 -5.804 -6.097 1.00 0.00 N ATOM 612 CA LYS A 39 -3.223 -6.799 -7.182 1.00 0.00 C ATOM 613 C LYS A 39 -1.858 -7.476 -7.310 1.00 0.00 C ATOM 614 O LYS A 39 -1.614 -8.202 -8.274 1.00 0.00 O ATOM 615 CB LYS A 39 -3.612 -6.192 -8.534 1.00 0.00 C ATOM 616 CG LYS A 39 -3.734 -7.222 -9.644 1.00 0.00 C ATOM 617 CD LYS A 39 -5.012 -7.036 -10.450 1.00 0.00 C ATOM 618 CE LYS A 39 -5.981 -8.188 -10.236 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.343 -8.350 -8.800 1.00 0.00 N ATOM 0 H LYS A 39 -3.139 -6.210 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.965 -7.549 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.562 -5.668 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.867 -5.449 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.872 -7.146 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.718 -8.223 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.490 -6.099 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.767 -6.958 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.884 -8.016 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.534 -9.111 -10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.229 -8.890 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.583 -8.860 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.471 -7.413 -8.366 1.00 0.00 H new ATOM 633 N ILE A 40 -0.969 -7.259 -6.342 1.00 0.00 N ATOM 634 CA ILE A 40 0.355 -7.884 -6.389 1.00 0.00 C ATOM 635 C ILE A 40 0.221 -9.394 -6.469 1.00 0.00 C ATOM 636 O ILE A 40 1.037 -10.083 -7.080 1.00 0.00 O ATOM 637 CB ILE A 40 1.236 -7.502 -5.177 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.988 -8.429 -3.974 1.00 0.00 C ATOM 639 CG2 ILE A 40 1.001 -6.049 -4.809 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.247 -8.765 -3.201 1.00 0.00 C ATOM 0 H ILE A 40 -1.135 -6.666 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 40 0.850 -7.508 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 40 2.281 -7.630 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.274 -7.955 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.530 -9.353 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.624 -5.785 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.258 -5.413 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.048 -5.904 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.998 -9.422 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.955 -9.268 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.695 -7.848 -2.819 1.00 0.00 H new ATOM 652 N GLU A 41 -0.827 -9.884 -5.831 1.00 0.00 N ATOM 653 CA GLU A 41 -1.125 -11.307 -5.783 1.00 0.00 C ATOM 654 C GLU A 41 -0.925 -11.959 -7.148 1.00 0.00 C ATOM 655 O GLU A 41 0.143 -12.499 -7.426 1.00 0.00 O ATOM 656 CB GLU A 41 -2.557 -11.525 -5.285 1.00 0.00 C ATOM 657 CG GLU A 41 -3.543 -10.452 -5.745 1.00 0.00 C ATOM 658 CD GLU A 41 -4.774 -11.033 -6.415 1.00 0.00 C ATOM 659 OE1 GLU A 41 -4.628 -12.012 -7.177 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.882 -10.508 -6.179 1.00 0.00 O ATOM 0 H GLU A 41 -1.499 -9.304 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.432 -11.779 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.907 -12.498 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.551 -11.556 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.850 -9.855 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.041 -9.778 -6.439 1.00 0.00 H new ATOM 667 N MET A 42 -1.955 -11.893 -7.994 1.00 0.00 N ATOM 668 CA MET A 42 -1.901 -12.470 -9.340 1.00 0.00 C ATOM 669 C MET A 42 -1.146 -13.803 -9.355 1.00 0.00 C ATOM 670 O MET A 42 -1.750 -14.868 -9.225 1.00 0.00 O ATOM 671 CB MET A 42 -1.249 -11.483 -10.312 1.00 0.00 C ATOM 672 CG MET A 42 -2.130 -10.292 -10.652 1.00 0.00 C ATOM 673 SD MET A 42 -3.638 -10.769 -11.518 1.00 0.00 S ATOM 674 CE MET A 42 -3.014 -10.992 -13.183 1.00 0.00 C ATOM 0 H MET A 42 -2.842 -11.443 -7.769 1.00 0.00 H new ATOM 0 HA MET A 42 -2.925 -12.665 -9.658 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.316 -11.122 -9.879 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.992 -12.008 -11.232 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.393 -9.766 -9.734 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.567 -9.593 -11.270 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.831 -11.290 -13.841 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.584 -10.056 -13.539 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.247 -11.767 -13.183 1.00 0.00 H new ATOM 684 N GLY A 43 0.175 -13.736 -9.513 1.00 0.00 N ATOM 685 CA GLY A 43 0.983 -14.939 -9.538 1.00 0.00 C ATOM 686 C GLY A 43 2.464 -14.644 -9.582 1.00 0.00 C ATOM 687 O GLY A 43 3.240 -15.392 -10.176 1.00 0.00 O ATOM 0 H GLY A 43 0.698 -12.867 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.762 -15.539 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.710 -15.538 -10.407 1.00 0.00 H new ATOM 691 N GLU A 44 2.852 -13.549 -8.956 1.00 0.00 N ATOM 692 CA GLU A 44 4.251 -13.139 -8.922 1.00 0.00 C ATOM 693 C GLU A 44 4.919 -13.587 -7.624 1.00 0.00 C ATOM 694 O GLU A 44 4.358 -14.388 -6.877 1.00 0.00 O ATOM 695 CB GLU A 44 4.351 -11.621 -9.079 1.00 0.00 C ATOM 696 CG GLU A 44 4.579 -11.175 -10.514 1.00 0.00 C ATOM 697 CD GLU A 44 3.308 -11.197 -11.339 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.211 -11.180 -10.742 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.409 -11.232 -12.584 1.00 0.00 O ATOM 0 H GLU A 44 2.218 -12.922 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 44 4.773 -13.617 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.435 -11.164 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.167 -11.252 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.992 -10.166 -10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.321 -11.824 -10.979 1.00 0.00 H new ATOM 706 N THR A 45 6.113 -13.063 -7.350 1.00 0.00 N ATOM 707 CA THR A 45 6.832 -13.411 -6.134 1.00 0.00 C ATOM 708 C THR A 45 6.595 -12.341 -5.076 1.00 0.00 C ATOM 709 O THR A 45 6.203 -11.222 -5.403 1.00 0.00 O ATOM 710 CB THR A 45 8.332 -13.549 -6.424 1.00 0.00 C ATOM 711 OG1 THR A 45 8.594 -13.389 -7.808 1.00 0.00 O ATOM 712 CG2 THR A 45 8.904 -14.886 -6.006 1.00 0.00 C ATOM 0 H THR A 45 6.598 -12.399 -7.953 1.00 0.00 H new ATOM 0 HA THR A 45 6.464 -14.367 -5.763 1.00 0.00 H new ATOM 0 HB THR A 45 8.810 -12.765 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.556 -13.479 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.968 -14.916 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.764 -15.022 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.392 -15.685 -6.543 1.00 0.00 H new ATOM 720 N PRO A 46 6.830 -12.656 -3.791 1.00 0.00 N ATOM 721 CA PRO A 46 6.638 -11.704 -2.699 1.00 0.00 C ATOM 722 C PRO A 46 7.191 -10.322 -3.039 1.00 0.00 C ATOM 723 O PRO A 46 6.717 -9.310 -2.522 1.00 0.00 O ATOM 724 CB PRO A 46 7.418 -12.329 -1.528 1.00 0.00 C ATOM 725 CG PRO A 46 8.101 -13.539 -2.087 1.00 0.00 C ATOM 726 CD PRO A 46 7.301 -13.947 -3.287 1.00 0.00 C ATOM 0 HA PRO A 46 5.583 -11.543 -2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.143 -11.624 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.747 -12.601 -0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.131 -13.313 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.137 -14.342 -1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.908 -14.475 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.475 -14.607 -3.022 1.00 0.00 H new ATOM 734 N GLU A 47 8.192 -10.288 -3.914 1.00 0.00 N ATOM 735 CA GLU A 47 8.804 -9.031 -4.323 1.00 0.00 C ATOM 736 C GLU A 47 8.357 -8.614 -5.725 1.00 0.00 C ATOM 737 O GLU A 47 7.943 -7.475 -5.935 1.00 0.00 O ATOM 738 CB GLU A 47 10.329 -9.148 -4.277 1.00 0.00 C ATOM 739 CG GLU A 47 10.888 -9.260 -2.868 1.00 0.00 C ATOM 740 CD GLU A 47 12.390 -9.460 -2.849 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.868 -10.426 -3.480 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.089 -8.650 -2.205 1.00 0.00 O ATOM 0 H GLU A 47 8.595 -11.116 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 47 8.476 -8.262 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.636 -10.022 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.767 -8.277 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.639 -8.358 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.408 -10.094 -2.356 1.00 0.00 H new ATOM 749 N GLN A 48 8.460 -9.532 -6.688 1.00 0.00 N ATOM 750 CA GLN A 48 8.087 -9.238 -8.072 1.00 0.00 C ATOM 751 C GLN A 48 6.581 -9.051 -8.242 1.00 0.00 C ATOM 752 O GLN A 48 6.117 -8.695 -9.326 1.00 0.00 O ATOM 753 CB GLN A 48 8.581 -10.351 -8.998 1.00 0.00 C ATOM 754 CG GLN A 48 9.938 -10.069 -9.621 1.00 0.00 C ATOM 755 CD GLN A 48 9.867 -9.897 -11.127 1.00 0.00 C ATOM 756 OE1 GLN A 48 8.831 -9.512 -11.670 1.00 0.00 O ATOM 757 NE2 GLN A 48 10.971 -10.183 -11.808 1.00 0.00 N ATOM 0 H GLN A 48 8.798 -10.482 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 48 8.565 -8.296 -8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.636 -11.283 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.850 -10.502 -9.793 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.357 -9.167 -9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.619 -10.887 -9.385 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.807 -10.499 -11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.983 -10.087 -12.823 1.00 0.00 H new ATOM 766 N ALA A 49 5.820 -9.271 -7.178 1.00 0.00 N ATOM 767 CA ALA A 49 4.377 -9.098 -7.238 1.00 0.00 C ATOM 768 C ALA A 49 4.014 -7.641 -7.005 1.00 0.00 C ATOM 769 O ALA A 49 3.163 -7.078 -7.692 1.00 0.00 O ATOM 770 CB ALA A 49 3.690 -9.986 -6.214 1.00 0.00 C ATOM 0 H ALA A 49 6.176 -9.568 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 49 4.033 -9.390 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.611 -9.843 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.929 -11.030 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.036 -9.723 -5.214 1.00 0.00 H new ATOM 776 N VAL A 50 4.690 -7.035 -6.041 1.00 0.00 N ATOM 777 CA VAL A 50 4.467 -5.631 -5.720 1.00 0.00 C ATOM 778 C VAL A 50 5.200 -4.732 -6.713 1.00 0.00 C ATOM 779 O VAL A 50 4.691 -3.689 -7.111 1.00 0.00 O ATOM 780 CB VAL A 50 4.879 -5.261 -4.266 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.488 -6.444 -3.527 1.00 0.00 C ATOM 782 CG2 VAL A 50 5.832 -4.072 -4.253 1.00 0.00 C ATOM 0 H VAL A 50 5.398 -7.492 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 50 3.392 -5.467 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 50 3.968 -4.980 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.761 -6.140 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.762 -7.256 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.378 -6.785 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.104 -3.835 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.731 -4.320 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.344 -3.210 -4.707 1.00 0.00 H new ATOM 792 N VAL A 51 6.411 -5.140 -7.091 1.00 0.00 N ATOM 793 CA VAL A 51 7.228 -4.365 -8.017 1.00 0.00 C ATOM 794 C VAL A 51 6.460 -4.018 -9.287 1.00 0.00 C ATOM 795 O VAL A 51 6.623 -2.931 -9.840 1.00 0.00 O ATOM 796 CB VAL A 51 8.525 -5.113 -8.394 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.405 -4.253 -9.291 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.284 -5.530 -7.141 1.00 0.00 C ATOM 0 H VAL A 51 6.846 -6.004 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 51 7.490 -3.442 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 51 8.251 -6.011 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.313 -4.801 -9.543 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.863 -4.008 -10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.670 -3.334 -8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.195 -6.056 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.542 -4.644 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.658 -6.189 -6.539 1.00 0.00 H new ATOM 808 N ARG A 52 5.620 -4.940 -9.746 1.00 0.00 N ATOM 809 CA ARG A 52 4.832 -4.707 -10.952 1.00 0.00 C ATOM 810 C ARG A 52 3.654 -3.784 -10.659 1.00 0.00 C ATOM 811 O ARG A 52 3.204 -3.033 -11.524 1.00 0.00 O ATOM 812 CB ARG A 52 4.332 -6.034 -11.529 1.00 0.00 C ATOM 813 CG ARG A 52 5.188 -6.562 -12.669 1.00 0.00 C ATOM 814 CD ARG A 52 4.837 -5.890 -13.987 1.00 0.00 C ATOM 815 NE ARG A 52 5.938 -5.957 -14.945 1.00 0.00 N ATOM 816 CZ ARG A 52 5.822 -5.631 -16.231 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.658 -5.216 -16.715 1.00 0.00 N ATOM 818 NH2 ARG A 52 6.873 -5.720 -17.034 1.00 0.00 N ATOM 0 H ARG A 52 5.468 -5.848 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 52 5.474 -4.224 -11.689 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.302 -6.778 -10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.309 -5.904 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.241 -6.394 -12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.050 -7.639 -12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.955 -6.368 -14.414 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.578 -4.847 -13.805 1.00 0.00 H new ATOM 0 HE ARG A 52 6.848 -6.272 -14.609 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.846 -5.145 -16.101 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.575 -4.968 -17.701 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.770 -6.038 -16.667 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.785 -5.470 -18.019 1.00 0.00 H new ATOM 832 N GLU A 53 3.193 -3.819 -9.417 1.00 0.00 N ATOM 833 CA GLU A 53 2.102 -2.958 -8.980 1.00 0.00 C ATOM 834 C GLU A 53 2.651 -1.562 -8.702 1.00 0.00 C ATOM 835 O GLU A 53 1.992 -0.555 -8.938 1.00 0.00 O ATOM 836 CB GLU A 53 1.434 -3.534 -7.727 1.00 0.00 C ATOM 837 CG GLU A 53 0.033 -4.079 -7.972 1.00 0.00 C ATOM 838 CD GLU A 53 -0.058 -4.930 -9.225 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.870 -5.728 -9.471 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.061 -4.797 -9.958 1.00 0.00 O ATOM 0 H GLU A 53 3.558 -4.436 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 53 1.348 -2.900 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.060 -4.332 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.383 -2.757 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.276 -4.673 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.666 -3.247 -8.052 1.00 0.00 H new ATOM 847 N LEU A 54 3.856 -1.543 -8.141 1.00 0.00 N ATOM 848 CA LEU A 54 4.496 -0.291 -7.760 1.00 0.00 C ATOM 849 C LEU A 54 4.400 0.687 -8.921 1.00 0.00 C ATOM 850 O LEU A 54 3.997 1.836 -8.748 1.00 0.00 O ATOM 851 CB LEU A 54 5.960 -0.530 -7.397 1.00 0.00 C ATOM 852 CG LEU A 54 6.427 0.175 -6.128 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.428 -0.791 -4.957 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.805 0.784 -6.332 1.00 0.00 C ATOM 0 H LEU A 54 4.407 -2.378 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 54 3.990 0.122 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.121 -1.602 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.584 -0.203 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 54 5.731 0.983 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.764 -0.273 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.419 -1.174 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.102 -1.621 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.122 1.283 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.517 -0.003 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.766 1.509 -7.145 1.00 0.00 H new ATOM 866 N GLN A 55 4.759 0.219 -10.104 1.00 0.00 N ATOM 867 CA GLN A 55 4.699 1.052 -11.303 1.00 0.00 C ATOM 868 C GLN A 55 3.253 1.224 -11.763 1.00 0.00 C ATOM 869 O GLN A 55 2.899 2.217 -12.399 1.00 0.00 O ATOM 870 CB GLN A 55 5.535 0.432 -12.424 1.00 0.00 C ATOM 871 CG GLN A 55 5.555 1.260 -13.698 1.00 0.00 C ATOM 872 CD GLN A 55 5.721 0.409 -14.943 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.049 0.626 -15.951 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.619 -0.567 -14.877 1.00 0.00 N ATOM 0 H GLN A 55 5.095 -0.731 -10.265 1.00 0.00 H new ATOM 0 HA GLN A 55 5.108 2.033 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.558 0.298 -12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.144 -0.560 -12.651 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.628 1.829 -13.772 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.369 1.983 -13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.154 -0.711 -14.021 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.774 -1.173 -15.683 1.00 0.00 H new ATOM 883 N GLU A 56 2.428 0.240 -11.428 1.00 0.00 N ATOM 884 CA GLU A 56 1.017 0.256 -11.793 1.00 0.00 C ATOM 885 C GLU A 56 0.232 1.231 -10.915 1.00 0.00 C ATOM 886 O GLU A 56 -0.771 1.797 -11.346 1.00 0.00 O ATOM 887 CB GLU A 56 0.423 -1.149 -11.674 1.00 0.00 C ATOM 888 CG GLU A 56 -0.441 -1.547 -12.861 1.00 0.00 C ATOM 889 CD GLU A 56 -1.892 -1.775 -12.479 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.137 -2.433 -11.447 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.781 -1.293 -13.212 1.00 0.00 O ATOM 0 H GLU A 56 2.714 -0.585 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 56 0.941 0.590 -12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.234 -1.870 -11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.175 -1.206 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.388 -0.768 -13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.040 -2.457 -13.308 1.00 0.00 H new ATOM 898 N GLU A 57 0.692 1.410 -9.679 1.00 0.00 N ATOM 899 CA GLU A 57 0.033 2.304 -8.732 1.00 0.00 C ATOM 900 C GLU A 57 0.854 3.571 -8.476 1.00 0.00 C ATOM 901 O GLU A 57 0.495 4.388 -7.627 1.00 0.00 O ATOM 902 CB GLU A 57 -0.232 1.575 -7.414 1.00 0.00 C ATOM 903 CG GLU A 57 -1.412 0.622 -7.478 1.00 0.00 C ATOM 904 CD GLU A 57 -0.991 -0.813 -7.714 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.417 -1.424 -6.788 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.235 -1.326 -8.826 1.00 0.00 O ATOM 0 H GLU A 57 1.522 0.946 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.915 2.609 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.661 1.018 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.411 2.311 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.974 0.683 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.084 0.935 -8.277 1.00 0.00 H new ATOM 913 N VAL A 58 1.948 3.739 -9.216 1.00 0.00 N ATOM 914 CA VAL A 58 2.802 4.914 -9.069 1.00 0.00 C ATOM 915 C VAL A 58 3.148 5.484 -10.435 1.00 0.00 C ATOM 916 O VAL A 58 3.099 6.696 -10.648 1.00 0.00 O ATOM 917 CB VAL A 58 4.107 4.585 -8.314 1.00 0.00 C ATOM 918 CG1 VAL A 58 4.924 5.844 -8.076 1.00 0.00 C ATOM 919 CG2 VAL A 58 3.808 3.898 -6.996 1.00 0.00 C ATOM 0 H VAL A 58 2.263 3.076 -9.924 1.00 0.00 H new ATOM 0 HA VAL A 58 2.245 5.648 -8.487 1.00 0.00 H new ATOM 0 HB VAL A 58 4.691 3.905 -8.934 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.839 5.588 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.177 6.300 -9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.342 6.548 -7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.743 3.676 -6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.198 4.553 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.268 2.970 -7.184 1.00 0.00 H new ATOM 929 N GLY A 59 3.482 4.595 -11.366 1.00 0.00 N ATOM 930 CA GLY A 59 3.814 5.008 -12.716 1.00 0.00 C ATOM 931 C GLY A 59 5.149 5.706 -12.830 1.00 0.00 C ATOM 932 O GLY A 59 5.917 5.454 -13.759 1.00 0.00 O ATOM 0 H GLY A 59 3.528 3.589 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.817 4.131 -13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.034 5.674 -13.084 1.00 0.00 H new ATOM 936 N ILE A 60 5.419 6.583 -11.890 1.00 0.00 N ATOM 937 CA ILE A 60 6.662 7.332 -11.876 1.00 0.00 C ATOM 938 C ILE A 60 7.808 6.470 -11.367 1.00 0.00 C ATOM 939 O ILE A 60 7.637 5.279 -11.113 1.00 0.00 O ATOM 940 CB ILE A 60 6.582 8.607 -11.001 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.491 8.517 -9.934 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.376 9.838 -11.868 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.847 9.257 -8.662 1.00 0.00 C ATOM 0 H ILE A 60 4.790 6.799 -11.117 1.00 0.00 H new ATOM 0 HA ILE A 60 6.842 7.633 -12.908 1.00 0.00 H new ATOM 0 HB ILE A 60 7.535 8.693 -10.478 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.563 8.922 -10.336 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.306 7.469 -9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.322 10.724 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.210 9.938 -12.562 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.447 9.736 -12.429 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.034 9.157 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.759 8.836 -8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.004 10.312 -8.887 1.00 0.00 H new ATOM 955 N THR A 61 8.977 7.085 -11.230 1.00 0.00 N ATOM 956 CA THR A 61 10.155 6.402 -10.759 1.00 0.00 C ATOM 957 C THR A 61 10.540 6.917 -9.377 1.00 0.00 C ATOM 958 O THR A 61 11.286 7.889 -9.255 1.00 0.00 O ATOM 959 CB THR A 61 11.279 6.665 -11.744 1.00 0.00 C ATOM 960 OG1 THR A 61 11.186 7.981 -12.262 1.00 0.00 O ATOM 961 CG2 THR A 61 11.280 5.710 -12.916 1.00 0.00 C ATOM 0 H THR A 61 9.125 8.071 -11.445 1.00 0.00 H new ATOM 0 HA THR A 61 9.964 5.331 -10.684 1.00 0.00 H new ATOM 0 HB THR A 61 12.202 6.524 -11.181 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.138 8.621 -11.522 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.108 5.952 -13.582 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.393 4.689 -12.553 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.339 5.800 -13.459 1.00 0.00 H new ATOM 969 N PRO A 62 9.996 6.307 -8.313 1.00 0.00 N ATOM 970 CA PRO A 62 10.234 6.724 -6.946 1.00 0.00 C ATOM 971 C PRO A 62 11.140 5.789 -6.162 1.00 0.00 C ATOM 972 O PRO A 62 11.087 4.573 -6.339 1.00 0.00 O ATOM 973 CB PRO A 62 8.817 6.618 -6.398 1.00 0.00 C ATOM 974 CG PRO A 62 8.278 5.375 -7.039 1.00 0.00 C ATOM 975 CD PRO A 62 9.044 5.187 -8.332 1.00 0.00 C ATOM 0 HA PRO A 62 10.730 7.692 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.813 6.541 -5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.221 7.493 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.407 4.514 -6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.210 5.471 -7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.553 4.224 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.387 5.229 -9.201 1.00 0.00 H new ATOM 983 N GLN A 63 11.920 6.351 -5.241 1.00 0.00 N ATOM 984 CA GLN A 63 12.755 5.525 -4.393 1.00 0.00 C ATOM 985 C GLN A 63 11.826 4.879 -3.384 1.00 0.00 C ATOM 986 O GLN A 63 11.670 5.347 -2.256 1.00 0.00 O ATOM 987 CB GLN A 63 13.828 6.360 -3.689 1.00 0.00 C ATOM 988 CG GLN A 63 14.894 6.895 -4.629 1.00 0.00 C ATOM 989 CD GLN A 63 15.830 7.877 -3.952 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.978 9.017 -4.393 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.469 7.439 -2.873 1.00 0.00 N ATOM 0 H GLN A 63 11.987 7.354 -5.070 1.00 0.00 H new ATOM 0 HA GLN A 63 13.286 4.776 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.350 7.197 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.305 5.751 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.473 6.062 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.413 7.383 -5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.317 6.486 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.112 8.055 -2.376 1.00 0.00 H new ATOM 1000 N HIS A 64 11.166 3.831 -3.844 1.00 0.00 N ATOM 1001 CA HIS A 64 10.178 3.116 -3.058 1.00 0.00 C ATOM 1002 C HIS A 64 10.599 1.672 -2.869 1.00 0.00 C ATOM 1003 O HIS A 64 10.902 0.976 -3.837 1.00 0.00 O ATOM 1004 CB HIS A 64 8.843 3.223 -3.807 1.00 0.00 C ATOM 1005 CG HIS A 64 7.749 2.278 -3.380 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.764 1.135 -2.646 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.427 2.483 -3.724 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 6.469 0.686 -2.561 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.683 1.516 -3.219 1.00 0.00 N flip ATOM 0 H HIS A 64 11.302 3.450 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 64 10.080 3.546 -2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.473 4.243 -3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.035 3.064 -4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.058 3.308 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.146 -0.203 -2.040 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.672 1.426 -3.321 1.00 0.00 H new ATOM 1018 N PHE A 65 10.622 1.219 -1.617 1.00 0.00 N ATOM 1019 CA PHE A 65 11.014 -0.140 -1.323 1.00 0.00 C ATOM 1020 C PHE A 65 11.061 -0.402 0.183 1.00 0.00 C ATOM 1021 O PHE A 65 10.683 0.440 0.991 1.00 0.00 O ATOM 1022 CB PHE A 65 12.392 -0.380 -1.910 1.00 0.00 C ATOM 1023 CG PHE A 65 12.533 -1.697 -2.620 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.708 -2.006 -3.690 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.487 -2.622 -2.225 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.830 -3.211 -4.353 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.613 -3.831 -2.885 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.783 -4.125 -3.951 1.00 0.00 C ATOM 0 H PHE A 65 10.374 1.777 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 65 10.277 -0.815 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.623 0.424 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.130 -0.329 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.960 -1.295 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.138 -2.396 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.180 -3.438 -5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.359 -4.545 -2.568 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.880 -5.068 -4.468 1.00 0.00 H new ATOM 1038 N SER A 66 11.566 -1.575 0.531 1.00 0.00 N ATOM 1039 CA SER A 66 11.727 -1.990 1.924 1.00 0.00 C ATOM 1040 C SER A 66 10.395 -2.080 2.655 1.00 0.00 C ATOM 1041 O SER A 66 9.878 -1.077 3.143 1.00 0.00 O ATOM 1042 CB SER A 66 12.654 -1.020 2.658 1.00 0.00 C ATOM 1043 OG SER A 66 13.524 -0.361 1.754 1.00 0.00 O ATOM 0 H SER A 66 11.878 -2.272 -0.145 1.00 0.00 H new ATOM 0 HA SER A 66 12.167 -2.987 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.060 -0.283 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.239 -1.563 3.400 1.00 0.00 H new ATOM 0 HG SER A 66 14.105 0.254 2.249 1.00 0.00 H new ATOM 1049 N LEU A 67 9.847 -3.290 2.738 1.00 0.00 N ATOM 1050 CA LEU A 67 8.577 -3.514 3.416 1.00 0.00 C ATOM 1051 C LEU A 67 8.619 -3.021 4.860 1.00 0.00 C ATOM 1052 O LEU A 67 9.458 -3.459 5.647 1.00 0.00 O ATOM 1053 CB LEU A 67 8.222 -5.002 3.387 1.00 0.00 C ATOM 1054 CG LEU A 67 9.109 -5.900 4.254 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.413 -6.232 5.566 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.475 -7.173 3.506 1.00 0.00 C ATOM 0 H LEU A 67 10.266 -4.132 2.342 1.00 0.00 H new ATOM 0 HA LEU A 67 7.812 -2.946 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.188 -5.119 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.275 -5.352 2.356 1.00 0.00 H new ATOM 0 HG LEU A 67 10.028 -5.359 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.058 -6.871 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.204 -5.311 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.478 -6.752 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.105 -7.798 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.567 -7.717 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.016 -6.917 2.595 1.00 0.00 H new ATOM 1068 N PHE A 68 7.707 -2.113 5.207 1.00 0.00 N ATOM 1069 CA PHE A 68 7.651 -1.576 6.560 1.00 0.00 C ATOM 1070 C PHE A 68 7.030 -2.609 7.497 1.00 0.00 C ATOM 1071 O PHE A 68 7.427 -2.741 8.654 1.00 0.00 O ATOM 1072 CB PHE A 68 6.849 -0.260 6.575 1.00 0.00 C ATOM 1073 CG PHE A 68 5.669 -0.237 7.516 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.536 -0.986 7.247 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.692 0.544 8.662 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.448 -0.962 8.102 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.608 0.576 9.520 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.484 -0.179 9.240 1.00 0.00 C ATOM 0 H PHE A 68 7.002 -1.738 4.572 1.00 0.00 H new ATOM 0 HA PHE A 68 8.661 -1.358 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.523 0.554 6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.492 -0.059 5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.501 -1.598 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.568 1.135 8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.572 -1.554 7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.639 1.190 10.408 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.636 -0.157 9.909 1.00 0.00 H new ATOM 1088 N GLU A 69 6.055 -3.344 6.972 1.00 0.00 N ATOM 1089 CA GLU A 69 5.366 -4.380 7.730 1.00 0.00 C ATOM 1090 C GLU A 69 4.450 -5.184 6.812 1.00 0.00 C ATOM 1091 O GLU A 69 4.101 -4.731 5.730 1.00 0.00 O ATOM 1092 CB GLU A 69 4.554 -3.758 8.867 1.00 0.00 C ATOM 1093 CG GLU A 69 4.583 -4.570 10.152 1.00 0.00 C ATOM 1094 CD GLU A 69 3.549 -4.105 11.158 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.363 -4.459 10.997 1.00 0.00 O ATOM 1096 OE2 GLU A 69 3.927 -3.386 12.108 1.00 0.00 O ATOM 0 H GLU A 69 5.722 -3.238 6.014 1.00 0.00 H new ATOM 0 HA GLU A 69 6.112 -5.049 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.937 -2.758 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.520 -3.643 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.410 -5.620 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.575 -4.502 10.598 1.00 0.00 H new ATOM 1103 N LYS A 70 4.057 -6.372 7.248 1.00 0.00 N ATOM 1104 CA LYS A 70 3.167 -7.218 6.457 1.00 0.00 C ATOM 1105 C LYS A 70 2.208 -7.963 7.379 1.00 0.00 C ATOM 1106 O LYS A 70 2.634 -8.529 8.387 1.00 0.00 O ATOM 1107 CB LYS A 70 3.975 -8.212 5.621 1.00 0.00 C ATOM 1108 CG LYS A 70 4.783 -9.192 6.456 1.00 0.00 C ATOM 1109 CD LYS A 70 4.019 -10.486 6.690 1.00 0.00 C ATOM 1110 CE LYS A 70 4.928 -11.699 6.574 1.00 0.00 C ATOM 1111 NZ LYS A 70 5.133 -12.107 5.157 1.00 0.00 N ATOM 0 H LYS A 70 4.338 -6.774 8.143 1.00 0.00 H new ATOM 0 HA LYS A 70 2.592 -6.586 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.295 -8.770 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.651 -7.660 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.725 -9.410 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.032 -8.736 7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.562 -10.466 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.208 -10.567 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.892 -11.475 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.497 -12.530 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.645 -13.008 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.748 -11.376 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.150 -12.222 4.973 1.00 0.00 H new ATOM 1125 N LEU A 71 0.915 -7.950 7.062 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.055 -8.608 7.899 1.00 0.00 C ATOM 1127 C LEU A 71 -0.393 -10.016 7.400 1.00 0.00 C ATOM 1128 O LEU A 71 -0.898 -10.212 6.295 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.299 -7.724 7.949 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.627 -8.418 8.220 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.154 -9.116 6.975 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -2.508 -9.392 9.383 1.00 0.00 C ATOM 0 H LEU A 71 0.528 -7.492 6.237 1.00 0.00 H new ATOM 0 HA LEU A 71 0.359 -8.741 8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.148 -6.969 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.379 -7.197 6.998 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.349 -7.650 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.103 -9.601 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.303 -8.383 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.434 -9.865 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.471 -9.873 9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.760 -10.150 9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.207 -8.852 10.281 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.046 -10.982 8.235 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.247 -12.378 7.908 1.00 0.00 C ATOM 1146 C GLU A 72 -1.274 -13.029 8.830 1.00 0.00 C ATOM 1147 O GLU A 72 -1.012 -13.285 10.005 1.00 0.00 O ATOM 1148 CB GLU A 72 1.086 -13.115 7.993 1.00 0.00 C ATOM 1149 CG GLU A 72 0.954 -14.603 7.785 1.00 0.00 C ATOM 1150 CD GLU A 72 2.279 -15.332 7.877 1.00 0.00 C ATOM 1151 OE1 GLU A 72 2.933 -15.246 8.938 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.664 -15.990 6.887 1.00 0.00 O ATOM 0 H GLU A 72 0.378 -10.820 9.148 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.637 -12.441 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.767 -12.709 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.536 -12.929 8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.269 -15.009 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.510 -14.790 6.807 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.445 -13.305 8.259 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.540 -13.943 8.978 1.00 0.00 C ATOM 1161 C TYR A 73 -4.280 -14.913 8.060 1.00 0.00 C ATOM 1162 O TYR A 73 -4.691 -14.542 6.960 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.510 -12.891 9.518 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.367 -13.385 10.662 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -6.583 -14.015 10.422 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -4.964 -13.220 11.981 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -7.369 -14.467 11.464 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -5.745 -13.670 13.028 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.946 -14.292 12.764 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.727 -14.741 13.805 1.00 0.00 O ATOM 0 H TYR A 73 -2.659 -13.092 7.285 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.124 -14.499 9.818 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.942 -12.022 9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.158 -12.557 8.708 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.918 -14.153 9.405 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.024 -12.732 12.192 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.311 -14.955 11.261 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.416 -13.535 14.048 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.284 -14.541 14.656 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.450 -16.153 8.504 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.146 -17.152 7.694 1.00 0.00 C ATOM 1182 C GLU A 74 -6.477 -17.549 8.316 1.00 0.00 C ATOM 1183 O GLU A 74 -6.535 -18.039 9.444 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.284 -18.396 7.467 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.453 -18.803 8.671 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.207 -19.575 8.284 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.197 -18.932 7.924 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -2.239 -20.822 8.343 1.00 0.00 O ATOM 0 H GLU A 74 -4.121 -16.490 9.409 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.341 -16.688 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.931 -19.227 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.618 -18.214 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.165 -17.911 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.061 -19.413 9.339 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.543 -17.336 7.556 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.888 -17.665 7.987 1.00 0.00 C ATOM 1197 C PHE A 75 -9.256 -19.080 7.535 1.00 0.00 C ATOM 1198 O PHE A 75 -8.599 -19.641 6.662 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.875 -16.647 7.415 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.238 -15.532 8.362 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.370 -15.758 9.725 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.451 -14.249 7.879 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.703 -14.729 10.584 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.785 -13.216 8.734 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.911 -13.456 10.088 1.00 0.00 C ATOM 0 H PHE A 75 -7.495 -16.929 6.622 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.935 -17.629 9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.448 -16.214 6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.786 -17.168 7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.210 -16.751 10.119 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.355 -14.055 6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.801 -14.919 11.643 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.947 -12.222 8.344 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.172 -12.650 10.758 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.312 -19.671 8.132 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.788 -21.018 7.815 1.00 0.00 C ATOM 1217 C PRO A 76 -10.634 -21.379 6.341 1.00 0.00 C ATOM 1218 O PRO A 76 -11.584 -21.294 5.562 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.274 -20.976 8.213 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.499 -19.640 8.857 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.141 -19.072 9.164 1.00 0.00 C ATOM 0 HA PRO A 76 -10.211 -21.779 8.340 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.914 -21.099 7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.515 -21.785 8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.053 -18.978 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.089 -19.744 9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.134 -17.983 9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.804 -19.343 10.164 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.421 -21.784 5.981 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.080 -22.178 4.609 1.00 0.00 C ATOM 1231 C ASP A 77 -8.654 -20.973 3.774 1.00 0.00 C ATOM 1232 O ASP A 77 -7.635 -21.016 3.088 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.250 -22.899 3.928 1.00 0.00 C ATOM 1234 CG ASP A 77 -10.903 -23.928 4.832 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.244 -24.937 5.156 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.074 -23.722 5.214 1.00 0.00 O ATOM 0 H ASP A 77 -8.639 -21.850 6.632 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.239 -22.868 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.995 -22.165 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.893 -23.390 3.023 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.438 -19.903 3.836 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.135 -18.692 3.082 1.00 0.00 C ATOM 1243 C ARG A 78 -8.177 -17.794 3.855 1.00 0.00 C ATOM 1244 O ARG A 78 -8.561 -17.170 4.842 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.423 -17.928 2.768 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.396 -17.218 1.424 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.441 -17.777 0.471 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.358 -17.166 -0.853 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.067 -17.573 -1.904 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -12.911 -18.590 -1.789 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -11.932 -16.959 -3.072 1.00 0.00 N ATOM 0 H ARG A 78 -10.287 -19.849 4.399 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.655 -18.986 2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.262 -18.624 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.601 -17.194 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.571 -16.152 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.406 -17.319 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.310 -18.855 0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.435 -17.610 0.885 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.719 -16.381 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.019 -19.064 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.452 -18.898 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.285 -16.176 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.475 -17.270 -3.878 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.928 -17.727 3.403 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.920 -16.902 4.056 1.00 0.00 C ATOM 1267 C HIS A 79 -5.754 -15.574 3.330 1.00 0.00 C ATOM 1268 O HIS A 79 -6.020 -15.473 2.132 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.576 -17.635 4.111 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.701 -19.119 4.276 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -5.633 -19.864 4.918 1.00 0.00 N flip ATOM 1272 CD2 HIS A 79 -3.796 -20.015 3.745 1.00 0.00 C flip ATOM 1273 CE1 HIS A 79 -5.277 -21.181 4.762 1.00 0.00 C flip ATOM 1274 NE2 HIS A 79 -4.168 -21.245 4.051 1.00 0.00 N flip ATOM 0 H HIS A 79 -6.591 -18.236 2.586 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.257 -16.705 5.074 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.022 -17.426 3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.989 -17.235 4.938 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.921 -19.752 3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.818 -22.028 5.158 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.680 -22.100 3.783 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.293 -14.562 4.056 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.065 -13.250 3.486 1.00 0.00 C ATOM 1285 C ILE A 80 -3.673 -12.769 3.881 1.00 0.00 C ATOM 1286 O ILE A 80 -3.232 -12.987 5.008 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.125 -12.233 3.962 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.684 -10.810 3.634 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.370 -12.378 5.456 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.833 -9.834 3.493 1.00 0.00 C ATOM 0 H ILE A 80 -5.070 -14.632 5.049 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.143 -13.327 2.402 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.058 -12.438 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.013 -10.457 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.112 -10.821 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.120 -11.653 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.726 -13.386 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.440 -12.199 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.442 -8.843 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.493 -10.162 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.392 -9.793 4.428 1.00 0.00 H new ATOM 1302 N THR A 81 -2.982 -12.128 2.951 1.00 0.00 N ATOM 1303 CA THR A 81 -1.641 -11.637 3.207 1.00 0.00 C ATOM 1304 C THR A 81 -1.503 -10.198 2.724 1.00 0.00 C ATOM 1305 O THR A 81 -1.678 -9.918 1.538 1.00 0.00 O ATOM 1306 CB THR A 81 -0.632 -12.527 2.483 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.293 -13.434 1.616 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.235 -13.341 3.414 1.00 0.00 C ATOM 0 H THR A 81 -3.330 -11.937 2.012 1.00 0.00 H new ATOM 0 HA THR A 81 -1.449 -11.663 4.280 1.00 0.00 H new ATOM 0 HB THR A 81 0.006 -11.838 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.764 -14.255 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.926 -13.948 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.799 -12.672 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.394 -13.991 4.022 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.180 -9.286 3.635 1.00 0.00 N ATOM 1317 CA LEU A 82 -1.018 -7.886 3.265 1.00 0.00 C ATOM 1318 C LEU A 82 0.409 -7.421 3.530 1.00 0.00 C ATOM 1319 O LEU A 82 0.844 -7.346 4.673 1.00 0.00 O ATOM 1320 CB LEU A 82 -2.000 -7.011 4.045 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.474 -7.209 3.685 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.364 -6.837 4.860 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.837 -6.385 2.459 1.00 0.00 C ATOM 0 H LEU A 82 -1.027 -9.488 4.623 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.226 -7.791 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.872 -7.209 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.740 -5.965 3.882 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.634 -8.262 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.409 -6.984 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.121 -7.468 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.201 -5.792 5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.889 -6.537 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.661 -5.329 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.221 -6.697 1.615 1.00 0.00 H new ATOM 1335 N TRP A 83 1.137 -7.109 2.466 1.00 0.00 N ATOM 1336 CA TRP A 83 2.517 -6.657 2.605 1.00 0.00 C ATOM 1337 C TRP A 83 2.625 -5.150 2.424 1.00 0.00 C ATOM 1338 O TRP A 83 2.246 -4.611 1.387 1.00 0.00 O ATOM 1339 CB TRP A 83 3.417 -7.371 1.598 1.00 0.00 C ATOM 1340 CG TRP A 83 3.562 -8.833 1.876 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.601 -9.666 2.369 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.732 -9.636 1.688 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.098 -10.938 2.494 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.406 -10.948 2.084 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.024 -9.375 1.221 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.323 -11.993 2.027 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 6.934 -10.415 1.165 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.580 -11.709 1.566 1.00 0.00 C ATOM 0 H TRP A 83 0.800 -7.159 1.505 1.00 0.00 H new ATOM 0 HA TRP A 83 2.847 -6.903 3.614 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.010 -7.236 0.596 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.403 -6.906 1.607 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.595 -9.367 2.624 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.578 -11.746 2.837 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.306 -8.380 0.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.053 -12.992 2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.935 -10.226 0.806 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.314 -12.499 1.510 1.00 0.00 H new ATOM 1359 N PHE A 84 3.159 -4.478 3.438 1.00 0.00 N ATOM 1360 CA PHE A 84 3.331 -3.032 3.388 1.00 0.00 C ATOM 1361 C PHE A 84 4.793 -2.688 3.092 1.00 0.00 C ATOM 1362 O PHE A 84 5.702 -3.220 3.730 1.00 0.00 O ATOM 1363 CB PHE A 84 2.894 -2.375 4.709 1.00 0.00 C ATOM 1364 CG PHE A 84 1.401 -2.327 4.927 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.575 -3.338 4.453 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.822 -1.268 5.616 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.789 -3.293 4.661 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.544 -1.222 5.826 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.349 -2.234 5.347 1.00 0.00 C ATOM 0 H PHE A 84 3.480 -4.912 4.304 1.00 0.00 H new ATOM 0 HA PHE A 84 2.700 -2.643 2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.351 -2.917 5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.285 -1.358 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.005 -4.170 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.447 -0.471 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.418 -4.087 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.980 -0.394 6.365 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.416 -2.198 5.508 1.00 0.00 H new ATOM 1379 N TRP A 85 5.017 -1.802 2.123 1.00 0.00 N ATOM 1380 CA TRP A 85 6.375 -1.401 1.752 1.00 0.00 C ATOM 1381 C TRP A 85 6.652 0.039 2.159 1.00 0.00 C ATOM 1382 O TRP A 85 5.846 0.929 1.886 1.00 0.00 O ATOM 1383 CB TRP A 85 6.590 -1.586 0.251 1.00 0.00 C ATOM 1384 CG TRP A 85 6.523 -3.022 -0.162 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.486 -3.880 0.050 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.537 -3.772 -0.840 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.789 -5.118 -0.456 1.00 0.00 N ATOM 1388 CE2 TRP A 85 7.042 -5.079 -1.009 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.811 -3.467 -1.324 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.779 -6.078 -1.639 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.543 -4.459 -1.949 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.025 -5.751 -2.102 1.00 0.00 C ATOM 0 H TRP A 85 4.280 -1.349 1.582 1.00 0.00 H new ATOM 0 HA TRP A 85 7.077 -2.040 2.288 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.836 -1.018 -0.294 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.561 -1.176 -0.028 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.561 -3.623 0.544 1.00 0.00 H new ATOM 0 HE1 TRP A 85 5.180 -5.936 -0.426 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.217 -2.473 -1.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.382 -7.075 -1.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.530 -4.234 -2.325 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.621 -6.505 -2.595 1.00 0.00 H new ATOM 1403 N LEU A 86 7.779 0.272 2.842 1.00 0.00 N ATOM 1404 CA LEU A 86 8.084 1.624 3.288 1.00 0.00 C ATOM 1405 C LEU A 86 8.876 2.415 2.246 1.00 0.00 C ATOM 1406 O LEU A 86 10.095 2.307 2.141 1.00 0.00 O ATOM 1407 CB LEU A 86 8.881 1.573 4.593 1.00 0.00 C ATOM 1408 CG LEU A 86 8.700 2.783 5.512 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.265 2.867 6.013 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.672 2.714 6.679 1.00 0.00 C ATOM 0 H LEU A 86 8.471 -0.436 3.089 1.00 0.00 H new ATOM 0 HA LEU A 86 7.133 2.134 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.595 0.675 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.939 1.475 4.351 1.00 0.00 H new ATOM 0 HG LEU A 86 8.914 3.685 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.157 3.734 6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.588 2.965 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.020 1.962 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.530 3.582 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.490 1.804 7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.694 2.706 6.301 1.00 0.00 H new ATOM 1422 N VAL A 87 8.141 3.215 1.489 1.00 0.00 N ATOM 1423 CA VAL A 87 8.690 4.056 0.429 1.00 0.00 C ATOM 1424 C VAL A 87 9.476 5.216 0.973 1.00 0.00 C ATOM 1425 O VAL A 87 9.169 5.738 2.043 1.00 0.00 O ATOM 1426 CB VAL A 87 7.593 4.612 -0.456 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.163 5.364 -1.650 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.680 3.479 -0.893 1.00 0.00 C ATOM 0 H VAL A 87 7.130 3.302 1.593 1.00 0.00 H new ATOM 0 HA VAL A 87 9.352 3.411 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 87 7.011 5.335 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.347 5.748 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.775 6.195 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.776 4.689 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.889 3.874 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.258 2.740 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.238 3.009 -0.015 1.00 0.00 H new ATOM 1438 N GLU A 88 10.504 5.604 0.238 1.00 0.00 N ATOM 1439 CA GLU A 88 11.332 6.705 0.679 1.00 0.00 C ATOM 1440 C GLU A 88 11.228 7.966 -0.194 1.00 0.00 C ATOM 1441 O GLU A 88 11.473 9.066 0.305 1.00 0.00 O ATOM 1442 CB GLU A 88 12.797 6.271 0.788 1.00 0.00 C ATOM 1443 CG GLU A 88 12.981 4.792 1.095 1.00 0.00 C ATOM 1444 CD GLU A 88 12.420 4.400 2.449 1.00 0.00 C ATOM 1445 OE1 GLU A 88 12.043 5.307 3.222 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.358 3.187 2.737 1.00 0.00 O ATOM 0 H GLU A 88 10.779 5.181 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 88 10.945 6.979 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.305 6.504 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.282 6.857 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.494 4.201 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.043 4.548 1.062 1.00 0.00 H new ATOM 1453 N ARG A 89 10.896 7.844 -1.484 1.00 0.00 N ATOM 1454 CA ARG A 89 10.816 9.037 -2.329 1.00 0.00 C ATOM 1455 C ARG A 89 10.077 8.769 -3.637 1.00 0.00 C ATOM 1456 O ARG A 89 9.892 7.621 -4.028 1.00 0.00 O ATOM 1457 CB ARG A 89 12.236 9.594 -2.578 1.00 0.00 C ATOM 1458 CG ARG A 89 12.709 9.593 -4.034 1.00 0.00 C ATOM 1459 CD ARG A 89 13.153 10.978 -4.481 1.00 0.00 C ATOM 1460 NE ARG A 89 12.138 11.996 -4.212 1.00 0.00 N ATOM 1461 CZ ARG A 89 12.079 13.170 -4.838 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.976 13.483 -5.764 1.00 0.00 N ATOM 1463 NH2 ARG A 89 11.120 14.034 -4.533 1.00 0.00 N ATOM 0 H ARG A 89 10.685 6.963 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 89 10.231 9.790 -1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.275 10.617 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.943 9.012 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.535 8.891 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.903 9.243 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.077 11.245 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.374 10.960 -5.548 1.00 0.00 H new ATOM 0 HE ARG A 89 11.433 11.795 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.717 12.823 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.925 14.384 -6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.429 13.799 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.073 14.934 -5.011 1.00 0.00 H new ATOM 1477 N TRP A 90 9.698 9.845 -4.328 1.00 0.00 N ATOM 1478 CA TRP A 90 9.027 9.731 -5.618 1.00 0.00 C ATOM 1479 C TRP A 90 9.327 10.943 -6.497 1.00 0.00 C ATOM 1480 O TRP A 90 9.086 12.085 -6.106 1.00 0.00 O ATOM 1481 CB TRP A 90 7.517 9.521 -5.444 1.00 0.00 C ATOM 1482 CG TRP A 90 6.724 10.776 -5.237 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.441 11.735 -6.166 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.091 11.188 -4.025 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.674 12.724 -5.599 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.444 12.410 -4.286 1.00 0.00 C ATOM 1487 CE3 TRP A 90 6.009 10.641 -2.744 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.724 13.092 -3.311 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.293 11.319 -1.777 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.656 12.533 -2.065 1.00 0.00 C ATOM 0 H TRP A 90 9.845 10.804 -4.014 1.00 0.00 H new ATOM 0 HA TRP A 90 9.420 8.849 -6.124 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.133 9.007 -6.325 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.353 8.860 -4.593 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.771 11.719 -7.194 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.332 13.557 -6.078 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.496 9.705 -2.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.236 14.030 -3.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.223 10.906 -0.782 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.101 13.037 -1.288 1.00 0.00 H new ATOM 1501 N GLU A 91 9.878 10.682 -7.683 1.00 0.00 N ATOM 1502 CA GLU A 91 10.231 11.747 -8.616 1.00 0.00 C ATOM 1503 C GLU A 91 9.000 12.277 -9.342 1.00 0.00 C ATOM 1504 O GLU A 91 7.976 11.599 -9.429 1.00 0.00 O ATOM 1505 CB GLU A 91 11.255 11.239 -9.634 1.00 0.00 C ATOM 1506 CG GLU A 91 12.607 10.908 -9.023 1.00 0.00 C ATOM 1507 CD GLU A 91 13.611 10.434 -10.054 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.927 11.214 -10.978 1.00 0.00 O ATOM 1509 OE2 GLU A 91 14.084 9.283 -9.939 1.00 0.00 O ATOM 0 H GLU A 91 10.089 9.742 -8.018 1.00 0.00 H new ATOM 0 HA GLU A 91 10.667 12.564 -8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.859 10.349 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.391 11.994 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.999 11.791 -8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.480 10.136 -8.264 1.00 0.00 H new ATOM 1516 N GLY A 92 9.110 13.496 -9.863 1.00 0.00 N ATOM 1517 CA GLY A 92 8.002 14.104 -10.579 1.00 0.00 C ATOM 1518 C GLY A 92 6.715 14.086 -9.780 1.00 0.00 C ATOM 1519 O GLY A 92 6.628 14.698 -8.715 1.00 0.00 O ATOM 0 H GLY A 92 9.948 14.074 -9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.256 15.134 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.849 13.576 -11.520 1.00 0.00 H new ATOM 1523 N GLU A 93 5.714 13.379 -10.292 1.00 0.00 N ATOM 1524 CA GLU A 93 4.427 13.280 -9.617 1.00 0.00 C ATOM 1525 C GLU A 93 3.933 11.835 -9.605 1.00 0.00 C ATOM 1526 O GLU A 93 4.116 11.104 -10.579 1.00 0.00 O ATOM 1527 CB GLU A 93 3.397 14.178 -10.303 1.00 0.00 C ATOM 1528 CG GLU A 93 3.325 15.578 -9.716 1.00 0.00 C ATOM 1529 CD GLU A 93 1.928 16.166 -9.780 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.072 15.750 -8.972 1.00 0.00 O ATOM 1531 OE2 GLU A 93 1.691 17.043 -10.638 1.00 0.00 O ATOM 0 H GLU A 93 5.770 12.866 -11.172 1.00 0.00 H new ATOM 0 HA GLU A 93 4.556 13.612 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.638 14.249 -11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.415 13.711 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.656 15.550 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.014 16.229 -10.253 1.00 0.00 H new ATOM 1538 N PRO A 94 3.288 11.402 -8.507 1.00 0.00 N ATOM 1539 CA PRO A 94 2.757 10.047 -8.380 1.00 0.00 C ATOM 1540 C PRO A 94 1.473 9.881 -9.174 1.00 0.00 C ATOM 1541 O PRO A 94 0.549 10.683 -9.035 1.00 0.00 O ATOM 1542 CB PRO A 94 2.472 9.900 -6.874 1.00 0.00 C ATOM 1543 CG PRO A 94 2.989 11.149 -6.234 1.00 0.00 C ATOM 1544 CD PRO A 94 2.999 12.194 -7.309 1.00 0.00 C ATOM 0 HA PRO A 94 3.449 9.297 -8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.405 9.779 -6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.968 9.019 -6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.354 11.452 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.990 10.995 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.042 12.711 -7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.759 12.955 -7.131 1.00 0.00 H new ATOM 1552 N TRP A 95 1.405 8.848 -10.005 1.00 0.00 N ATOM 1553 CA TRP A 95 0.207 8.628 -10.796 1.00 0.00 C ATOM 1554 C TRP A 95 -0.174 7.158 -10.878 1.00 0.00 C ATOM 1555 O TRP A 95 -1.247 6.759 -10.426 1.00 0.00 O ATOM 1556 CB TRP A 95 0.367 9.197 -12.211 1.00 0.00 C ATOM 1557 CG TRP A 95 1.627 8.783 -12.932 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.825 9.433 -12.915 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.808 7.643 -13.792 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.733 8.785 -13.721 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.133 7.687 -14.270 1.00 0.00 C ATOM 1562 CE3 TRP A 95 0.981 6.592 -14.205 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.643 6.729 -15.145 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.491 5.639 -15.068 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.810 5.717 -15.533 1.00 0.00 C ATOM 0 H TRP A 95 2.149 8.165 -10.145 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.598 9.155 -10.284 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.492 8.890 -12.808 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.342 10.285 -12.153 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.032 10.329 -12.349 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.697 9.077 -13.882 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.039 6.526 -13.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.660 6.784 -15.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.862 4.822 -15.388 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.177 4.962 -16.212 1.00 0.00 H new ATOM 1576 N GLY A 96 0.705 6.363 -11.470 1.00 0.00 N ATOM 1577 CA GLY A 96 0.448 4.941 -11.627 1.00 0.00 C ATOM 1578 C GLY A 96 -0.991 4.636 -12.013 1.00 0.00 C ATOM 1579 O GLY A 96 -1.400 4.867 -13.150 1.00 0.00 O ATOM 0 H GLY A 96 1.599 6.678 -11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.116 4.539 -12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.684 4.430 -10.694 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.750 4.115 -11.052 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.153 3.767 -11.266 1.00 0.00 C ATOM 1585 C LYS A 97 -3.740 3.107 -10.020 1.00 0.00 C ATOM 1586 O LYS A 97 -4.548 2.184 -10.116 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.298 2.822 -12.464 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.725 2.695 -12.973 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.321 4.054 -13.305 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.668 3.916 -13.995 1.00 0.00 C ATOM 1591 NZ LYS A 97 -7.360 5.229 -14.128 1.00 0.00 N ATOM 0 H LYS A 97 -1.413 3.923 -10.109 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.699 4.688 -11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.663 3.178 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.933 1.834 -12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.741 2.063 -13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.339 2.202 -12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.437 4.635 -12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.636 4.606 -13.948 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.527 3.478 -14.983 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.297 3.229 -13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.275 5.093 -14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.518 5.636 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.771 5.876 -14.690 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.326 3.585 -8.848 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.810 3.040 -7.582 1.00 0.00 C ATOM 1607 C GLU A 98 -5.330 3.115 -7.501 1.00 0.00 C ATOM 1608 O GLU A 98 -5.981 2.186 -7.022 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.184 3.794 -6.407 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.557 5.266 -6.360 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.030 5.961 -5.120 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.809 5.272 -4.102 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -2.837 7.194 -5.167 1.00 0.00 O ATOM 0 H GLU A 98 -2.657 4.348 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.516 1.992 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.493 3.320 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.099 3.704 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.165 5.765 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.642 5.363 -6.393 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.894 4.222 -7.975 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.335 4.382 -7.945 1.00 0.00 C ATOM 1622 C GLY A 99 -7.774 5.833 -7.912 1.00 0.00 C ATOM 1623 O GLY A 99 -8.517 6.280 -8.786 1.00 0.00 O ATOM 0 H GLY A 99 -5.381 5.007 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.766 3.898 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.733 3.869 -7.070 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.333 6.568 -6.896 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.709 7.971 -6.757 1.00 0.00 C ATOM 1629 C GLN A 100 -6.545 8.831 -6.285 1.00 0.00 C ATOM 1630 O GLN A 100 -5.973 8.601 -5.221 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.883 8.101 -5.788 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.186 7.545 -6.338 1.00 0.00 C ATOM 1633 CD GLN A 100 -11.269 7.438 -5.284 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -11.027 6.965 -4.174 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -12.473 7.879 -5.630 1.00 0.00 N ATOM 0 H GLN A 100 -6.719 6.218 -6.161 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.004 8.332 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.638 7.582 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.023 9.153 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.536 8.185 -7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.003 6.559 -6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.627 8.263 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.244 7.833 -4.964 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.190 9.852 -7.082 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.100 10.779 -6.762 1.00 0.00 C ATOM 1646 C PRO A 101 -5.119 11.235 -5.303 1.00 0.00 C ATOM 1647 O PRO A 101 -6.183 11.387 -4.704 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.400 11.953 -7.686 1.00 0.00 C ATOM 1649 CG PRO A 101 -5.993 11.322 -8.891 1.00 0.00 C ATOM 1650 CD PRO A 101 -6.835 10.195 -8.369 1.00 0.00 C ATOM 0 HA PRO A 101 -4.117 10.328 -6.896 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.091 12.658 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.495 12.509 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.595 12.036 -9.454 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.219 10.956 -9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.872 10.500 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.841 9.347 -9.054 1.00 0.00 H new ATOM 1658 N GLY A 102 -3.933 11.453 -4.739 1.00 0.00 N ATOM 1659 CA GLY A 102 -3.835 11.889 -3.357 1.00 0.00 C ATOM 1660 C GLY A 102 -2.854 13.034 -3.171 1.00 0.00 C ATOM 1661 O GLY A 102 -2.197 13.457 -4.121 1.00 0.00 O ATOM 0 H GLY A 102 -3.039 11.335 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.820 12.199 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.527 11.048 -2.736 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.752 13.527 -1.939 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.838 14.621 -1.622 1.00 0.00 C ATOM 1667 C GLU A 103 -0.869 14.208 -0.514 1.00 0.00 C ATOM 1668 O GLU A 103 -1.223 13.427 0.368 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.624 15.865 -1.198 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.605 16.977 -2.235 1.00 0.00 C ATOM 1671 CD GLU A 103 -3.731 17.973 -2.043 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -4.146 18.183 -0.884 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -4.199 18.542 -3.052 1.00 0.00 O ATOM 0 H GLU A 103 -3.292 13.186 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.262 14.857 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.658 15.582 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.212 16.244 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.650 17.500 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.677 16.541 -3.231 1.00 0.00 H new ATOM 1680 N TRP A 104 0.352 14.735 -0.568 1.00 0.00 N ATOM 1681 CA TRP A 104 1.371 14.408 0.436 1.00 0.00 C ATOM 1682 C TRP A 104 0.884 14.782 1.833 1.00 0.00 C ATOM 1683 O TRP A 104 0.812 15.961 2.180 1.00 0.00 O ATOM 1684 CB TRP A 104 2.715 15.116 0.147 1.00 0.00 C ATOM 1685 CG TRP A 104 2.711 16.001 -1.067 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.658 15.604 -2.372 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.770 17.432 -1.083 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.676 16.701 -3.200 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.745 17.835 -2.432 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.838 18.412 -0.089 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.787 19.175 -2.810 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.879 19.741 -0.466 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.854 20.112 -1.816 1.00 0.00 C ATOM 0 H TRP A 104 0.662 15.386 -1.289 1.00 0.00 H new ATOM 0 HA TRP A 104 1.539 13.332 0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.988 15.715 1.016 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.490 14.359 0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.609 14.578 -2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.643 16.676 -4.219 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.858 18.136 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.767 19.464 -3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 2.931 20.507 0.294 1.00 0.00 H new ATOM 0 HH2 TRP A 104 2.888 21.159 -2.078 1.00 0.00 H new ATOM 1704 N MET A 105 0.550 13.769 2.631 1.00 0.00 N ATOM 1705 CA MET A 105 0.069 13.998 3.990 1.00 0.00 C ATOM 1706 C MET A 105 0.966 13.335 5.024 1.00 0.00 C ATOM 1707 O MET A 105 1.581 12.302 4.761 1.00 0.00 O ATOM 1708 CB MET A 105 -1.373 13.510 4.149 1.00 0.00 C ATOM 1709 CG MET A 105 -1.664 12.203 3.432 1.00 0.00 C ATOM 1710 SD MET A 105 -3.430 11.901 3.229 1.00 0.00 S ATOM 1711 CE MET A 105 -3.971 11.891 4.936 1.00 0.00 C ATOM 0 H MET A 105 0.604 12.787 2.361 1.00 0.00 H new ATOM 0 HA MET A 105 0.096 15.074 4.164 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.589 13.387 5.210 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.049 14.278 3.773 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.187 12.216 2.452 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.220 11.379 3.992 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.751 11.140 5.066 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.127 11.654 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.365 12.873 5.199 1.00 0.00 H new ATOM 1721 N SER A 106 1.035 13.943 6.204 1.00 0.00 N ATOM 1722 CA SER A 106 1.857 13.422 7.286 1.00 0.00 C ATOM 1723 C SER A 106 1.334 12.072 7.762 1.00 0.00 C ATOM 1724 O SER A 106 0.233 11.973 8.305 1.00 0.00 O ATOM 1725 CB SER A 106 1.889 14.411 8.452 1.00 0.00 C ATOM 1726 OG SER A 106 3.056 14.238 9.236 1.00 0.00 O ATOM 0 H SER A 106 0.530 14.799 6.434 1.00 0.00 H new ATOM 0 HA SER A 106 2.870 13.286 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.852 15.431 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.005 14.273 9.075 1.00 0.00 H new ATOM 0 HG SER A 106 3.053 14.883 9.974 1.00 0.00 H new ATOM 1732 N LEU A 107 2.136 11.038 7.552 1.00 0.00 N ATOM 1733 CA LEU A 107 1.768 9.682 7.955 1.00 0.00 C ATOM 1734 C LEU A 107 1.708 9.541 9.477 1.00 0.00 C ATOM 1735 O LEU A 107 1.114 8.597 9.998 1.00 0.00 O ATOM 1736 CB LEU A 107 2.761 8.670 7.380 1.00 0.00 C ATOM 1737 CG LEU A 107 2.173 7.297 7.031 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.949 6.480 8.294 1.00 0.00 C ATOM 1739 CD2 LEU A 107 0.870 7.447 6.255 1.00 0.00 C ATOM 0 H LEU A 107 3.049 11.109 7.104 1.00 0.00 H new ATOM 0 HA LEU A 107 0.773 9.481 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.207 9.095 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.568 8.529 8.099 1.00 0.00 H new ATOM 0 HG LEU A 107 2.887 6.770 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.531 5.508 8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.899 6.339 8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.256 7.007 8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.472 6.460 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.147 7.995 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.058 7.993 5.331 1.00 0.00 H new ATOM 1751 N VAL A 108 2.335 10.477 10.183 1.00 0.00 N ATOM 1752 CA VAL A 108 2.365 10.454 11.644 1.00 0.00 C ATOM 1753 C VAL A 108 0.967 10.326 12.248 1.00 0.00 C ATOM 1754 O VAL A 108 0.824 9.979 13.420 1.00 0.00 O ATOM 1755 CB VAL A 108 3.034 11.723 12.206 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.253 11.593 13.706 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.348 11.997 11.491 1.00 0.00 C ATOM 0 H VAL A 108 2.831 11.264 9.766 1.00 0.00 H new ATOM 0 HA VAL A 108 2.947 9.576 11.923 1.00 0.00 H new ATOM 0 HB VAL A 108 2.369 12.568 12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.726 12.499 14.084 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.293 11.450 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.896 10.736 13.907 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.805 12.897 11.902 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.022 11.152 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.160 12.139 10.427 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.062 10.608 11.454 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.422 10.516 11.950 1.00 0.00 C ATOM 1769 C GLY A 109 -2.382 9.947 10.924 1.00 0.00 C ATOM 1770 O GLY A 109 -3.411 10.552 10.622 1.00 0.00 O ATOM 0 H GLY A 109 0.022 10.897 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.437 9.890 12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.763 11.507 12.250 1.00 0.00 H new ATOM 1774 N LEU A 110 -2.045 8.779 10.393 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.882 8.117 9.396 1.00 0.00 C ATOM 1776 C LEU A 110 -4.248 7.771 9.979 1.00 0.00 C ATOM 1777 O LEU A 110 -4.381 7.544 11.182 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.200 6.849 8.884 1.00 0.00 C ATOM 1779 CG LEU A 110 -3.024 6.036 7.885 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.117 5.379 6.859 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.862 4.993 8.609 1.00 0.00 C ATOM 0 H LEU A 110 -1.196 8.268 10.636 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.023 8.806 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.256 7.125 8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.958 6.214 9.736 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.699 6.713 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.720 4.804 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.562 6.147 6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.417 4.714 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.442 4.424 7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.207 4.318 9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.539 5.489 9.305 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.266 7.745 9.122 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.624 7.441 9.560 1.00 0.00 C ATOM 1795 C ASN A 111 -7.105 6.084 9.057 1.00 0.00 C ATOM 1796 O ASN A 111 -7.546 5.954 7.915 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.585 8.540 9.096 1.00 0.00 C ATOM 1798 CG ASN A 111 -8.218 9.284 10.255 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -9.413 9.580 10.240 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.417 9.594 11.269 1.00 0.00 N ATOM 0 H ASN A 111 -5.176 7.930 8.123 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.610 7.399 10.649 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.046 9.247 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.369 8.097 8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.787 10.097 12.076 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.432 9.329 11.240 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.046 5.080 9.930 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.506 3.741 9.583 1.00 0.00 C ATOM 1809 C ALA A 112 -9.033 3.709 9.504 1.00 0.00 C ATOM 1810 O ALA A 112 -9.621 2.777 8.960 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.015 2.721 10.598 1.00 0.00 C ATOM 0 H ALA A 112 -6.685 5.170 10.880 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.095 3.482 8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.371 1.729 10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.925 2.723 10.618 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.397 2.978 11.586 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.673 4.735 10.060 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.128 4.826 10.048 1.00 0.00 C ATOM 1819 C ASP A 113 -11.628 5.314 8.691 1.00 0.00 C ATOM 1820 O ASP A 113 -12.681 4.891 8.216 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.639 5.758 11.160 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.538 6.544 11.854 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.672 7.101 11.147 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.546 6.601 13.101 1.00 0.00 O ATOM 0 H ASP A 113 -9.206 5.514 10.524 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.520 3.826 10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.359 6.457 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.173 5.165 11.902 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.866 6.216 8.078 1.00 0.00 N ATOM 1830 CA ASP A 114 -11.230 6.776 6.780 1.00 0.00 C ATOM 1831 C ASP A 114 -10.669 5.948 5.625 1.00 0.00 C ATOM 1832 O ASP A 114 -10.783 6.342 4.464 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.739 8.218 6.672 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.879 9.219 6.639 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -12.859 8.978 5.905 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.789 10.242 7.349 1.00 0.00 O ATOM 0 H ASP A 114 -9.991 6.575 8.460 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.317 6.754 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -10.088 8.441 7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -10.138 8.327 5.769 1.00 0.00 H new ATOM 1841 N PHE A 115 -10.062 4.807 5.936 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.492 3.950 4.903 1.00 0.00 C ATOM 1843 C PHE A 115 -10.164 2.575 4.907 1.00 0.00 C ATOM 1844 O PHE A 115 -10.874 2.230 5.853 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.962 3.866 5.074 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.435 2.659 5.801 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -8.136 2.084 6.843 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.211 2.117 5.444 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.630 0.988 7.515 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.699 1.028 6.112 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.408 0.462 7.148 1.00 0.00 C ATOM 0 H PHE A 115 -9.953 4.456 6.888 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.686 4.386 3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.506 3.895 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.628 4.757 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.091 2.496 7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.651 2.555 4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.189 0.544 8.325 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.742 0.618 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.008 -0.393 7.673 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.969 1.775 3.845 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.582 0.447 3.739 1.00 0.00 C ATOM 1863 C PRO A 116 -10.269 -0.436 4.946 1.00 0.00 C ATOM 1864 O PRO A 116 -9.107 -0.602 5.318 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.965 -0.147 2.462 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.814 0.739 2.123 1.00 0.00 C ATOM 1867 CD PRO A 116 -9.163 2.097 2.660 1.00 0.00 C ATOM 0 HA PRO A 116 -11.670 0.509 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.635 -1.173 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.692 -0.173 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.892 0.368 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.654 0.775 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.274 2.672 2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.725 2.687 1.936 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.308 -1.019 5.576 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.136 -1.888 6.745 1.00 0.00 C ATOM 1877 C PRO A 117 -10.348 -3.152 6.420 1.00 0.00 C ATOM 1878 O PRO A 117 -9.847 -3.829 7.317 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.572 -2.244 7.151 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.386 -2.016 5.925 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.727 -0.880 5.199 1.00 0.00 C ATOM 0 HA PRO A 117 -10.569 -1.393 7.533 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.643 -3.279 7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.916 -1.619 7.975 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.416 -2.911 5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.417 -1.771 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.867 -0.956 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.133 0.084 5.506 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.239 -3.467 5.133 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.510 -4.650 4.697 1.00 0.00 C ATOM 1891 C ALA A 118 -8.038 -4.555 5.073 1.00 0.00 C ATOM 1892 O ALA A 118 -7.363 -5.570 5.241 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.662 -4.843 3.196 1.00 0.00 C ATOM 0 H ALA A 118 -10.646 -2.919 4.375 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.934 -5.515 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.111 -5.731 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.717 -4.966 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.267 -3.971 2.675 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.547 -3.330 5.201 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.154 -3.098 5.551 1.00 0.00 C ATOM 1901 C ASN A 119 -6.010 -2.659 7.009 1.00 0.00 C ATOM 1902 O ASN A 119 -4.897 -2.456 7.496 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.571 -2.037 4.623 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.278 -2.480 3.969 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.932 -3.661 3.988 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.553 -1.530 3.391 1.00 0.00 N ATOM 0 H ASN A 119 -8.095 -2.480 5.067 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.607 -4.033 5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.300 -1.796 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.393 -1.123 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.670 -1.767 2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.879 -0.564 3.399 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.139 -2.509 7.703 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.137 -2.091 9.099 1.00 0.00 C ATOM 1915 C GLU A 120 -6.320 -3.033 9.992 1.00 0.00 C ATOM 1916 O GLU A 120 -5.712 -2.584 10.955 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.580 -1.960 9.606 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.016 -3.045 10.585 1.00 0.00 C ATOM 1919 CD GLU A 120 -10.431 -2.836 11.092 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.932 -1.696 11.000 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -11.036 -3.812 11.582 1.00 0.00 O ATOM 0 H GLU A 120 -8.068 -2.672 7.316 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.649 -1.118 9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.694 -0.989 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.254 -1.972 8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.948 -4.018 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.329 -3.063 11.431 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.298 -4.350 9.712 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.546 -5.305 10.536 1.00 0.00 C ATOM 1930 C PRO A 121 -4.143 -4.826 10.902 1.00 0.00 C ATOM 1931 O PRO A 121 -3.751 -4.856 12.069 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.446 -6.516 9.622 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.714 -6.485 8.844 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.001 -5.028 8.599 1.00 0.00 C ATOM 0 HA PRO A 121 -6.036 -5.479 11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.575 -6.453 8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.350 -7.440 10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.611 -7.028 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.526 -6.957 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.626 -4.702 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.071 -4.821 8.614 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.388 -4.398 9.897 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.022 -3.924 10.110 1.00 0.00 C ATOM 1944 C VAL A 122 -2.007 -2.502 10.658 1.00 0.00 C ATOM 1945 O VAL A 122 -1.382 -2.226 11.682 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.176 -3.965 8.811 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.054 -4.840 8.997 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.992 -4.438 7.612 1.00 0.00 C ATOM 0 H VAL A 122 -3.697 -4.369 8.925 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.579 -4.604 10.838 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.853 -2.945 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.633 -4.855 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.667 -4.439 9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.256 -5.855 9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.360 -4.451 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.371 -5.442 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.829 -3.759 7.451 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.698 -1.605 9.965 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.770 -0.207 10.369 1.00 0.00 C ATOM 1960 C ILE A 123 -3.362 -0.075 11.763 1.00 0.00 C ATOM 1961 O ILE A 123 -3.045 0.849 12.492 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.595 0.625 9.365 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.814 0.780 8.058 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.944 1.990 9.945 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.946 2.021 8.015 1.00 0.00 C ATOM 0 H ILE A 123 -3.219 -1.823 9.116 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.752 0.181 10.382 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.529 0.101 9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.185 -0.099 7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.517 0.809 7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.525 2.557 9.218 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.529 1.860 10.855 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.027 2.532 10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.422 2.066 7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.571 2.907 8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.219 1.985 8.826 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.209 -1.020 12.127 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.825 -1.014 13.445 1.00 0.00 C ATOM 1979 C ALA A 124 -3.739 -0.967 14.513 1.00 0.00 C ATOM 1980 O ALA A 124 -3.785 -0.153 15.436 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.711 -2.235 13.634 1.00 0.00 C ATOM 0 H ALA A 124 -4.487 -1.800 11.532 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.455 -0.130 13.537 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.160 -2.208 14.627 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.498 -2.234 12.879 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.111 -3.139 13.532 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.782 -1.879 14.389 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.694 -1.987 15.355 1.00 0.00 C ATOM 1989 C LYS A 125 -0.976 -0.654 15.529 1.00 0.00 C ATOM 1990 O LYS A 125 -0.747 -0.210 16.654 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.699 -3.062 14.916 1.00 0.00 C ATOM 1992 CG LYS A 125 0.005 -3.748 16.075 1.00 0.00 C ATOM 1993 CD LYS A 125 1.452 -4.071 15.737 1.00 0.00 C ATOM 1994 CE LYS A 125 2.308 -4.165 16.990 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.133 -5.470 17.686 1.00 0.00 N ATOM 0 H LYS A 125 -2.737 -2.556 13.627 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.126 -2.269 16.315 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.225 -3.812 14.325 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.048 -2.609 14.264 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.029 -3.105 16.955 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.524 -4.666 16.331 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.498 -5.014 15.192 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.853 -3.302 15.077 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.357 -4.033 16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.047 -3.353 17.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.733 -5.494 18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.137 -5.585 17.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.406 -6.244 17.047 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.624 -0.016 14.423 1.00 0.00 N ATOM 2010 CA LEU A 126 0.067 1.272 14.481 1.00 0.00 C ATOM 2011 C LEU A 126 -0.913 2.404 14.781 1.00 0.00 C ATOM 2012 O LEU A 126 -0.684 3.223 15.670 1.00 0.00 O ATOM 2013 CB LEU A 126 0.789 1.547 13.160 1.00 0.00 C ATOM 2014 CG LEU A 126 1.925 2.568 13.244 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.255 1.868 13.474 1.00 0.00 C ATOM 2016 CD2 LEU A 126 1.977 3.414 11.980 1.00 0.00 C ATOM 0 H LEU A 126 -0.802 -0.362 13.480 1.00 0.00 H new ATOM 0 HA LEU A 126 0.800 1.226 15.287 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.192 0.608 12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.059 1.898 12.430 1.00 0.00 H new ATOM 0 HG LEU A 126 1.733 3.227 14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.052 2.610 13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.214 1.307 14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.454 1.185 12.648 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.791 4.135 12.058 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.144 2.769 11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.033 3.945 11.858 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.999 2.440 14.019 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.034 3.462 14.167 1.00 0.00 C ATOM 2030 C LYS A 127 -3.500 3.568 15.606 1.00 0.00 C ATOM 2031 O LYS A 127 -3.719 4.664 16.122 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.222 3.124 13.276 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.424 4.037 13.473 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.725 3.250 13.513 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.238 3.091 14.936 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.765 1.722 15.188 1.00 0.00 N ATOM 0 H LYS A 127 -2.189 1.763 13.280 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.607 4.420 13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.907 3.175 12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.525 2.095 13.468 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.308 4.597 14.401 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.464 4.766 12.664 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.477 3.758 12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.570 2.267 13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.432 3.304 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.025 3.822 15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.104 1.656 16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.551 1.527 14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.008 1.025 15.036 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.633 2.424 16.256 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.050 2.394 17.645 1.00 0.00 C ATOM 2052 C ARG A 128 -2.992 3.062 18.518 1.00 0.00 C ATOM 2053 O ARG A 128 -3.203 3.283 19.711 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.285 0.953 18.096 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.645 0.825 19.566 1.00 0.00 C ATOM 2056 CD ARG A 128 -5.155 -0.568 19.900 1.00 0.00 C ATOM 2057 NE ARG A 128 -4.356 -1.614 19.263 1.00 0.00 N ATOM 2058 CZ ARG A 128 -4.785 -2.860 19.071 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -5.998 -3.223 19.469 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -3.997 -3.749 18.479 1.00 0.00 N ATOM 0 H ARG A 128 -3.459 1.507 15.844 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.986 2.942 17.747 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.085 0.520 17.496 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.386 0.369 17.899 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.770 1.048 20.176 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.407 1.562 19.820 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.141 -0.709 20.981 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -6.193 -0.660 19.580 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.416 -1.375 18.948 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.609 -2.546 19.926 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.319 -4.179 19.318 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.063 -3.478 18.171 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.325 -4.703 18.332 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.850 3.392 17.905 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.751 4.046 18.610 1.00 0.00 C ATOM 2076 C LEU A 129 -0.500 3.405 19.972 1.00 0.00 C ATOM 2077 O LEU A 129 -0.197 4.092 20.948 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.048 5.538 18.778 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.697 6.211 17.564 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.115 6.655 17.892 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.864 7.396 17.094 1.00 0.00 C ATOM 0 H LEU A 129 -1.666 3.214 16.918 1.00 0.00 H new ATOM 0 HA LEU A 129 0.151 3.923 18.011 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.703 5.668 19.639 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.116 6.055 19.006 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.742 5.482 16.755 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.559 7.131 17.017 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.711 5.788 18.175 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.092 7.365 18.719 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.344 7.859 16.231 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.783 8.126 17.899 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.132 7.053 16.815 1.00 0.00 H new