USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 ASN : amide:sc= -0.548 K(o=-1.5,f=-7.7!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ -123:sc= -0.96 (180deg=-2.38!) USER MOD Single : A 51 ASN : amide:sc= -0.519 K(o=-0.52,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -0.0774 (180deg=-1.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= -0.443 (180deg=-1.17) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.35) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00528) USER MOD Single : A 127 SER OG : rot -178:sc= -3.76! USER MOD Single : A 128 LYS NZ :NH3+ -146:sc= -0.289 (180deg=-1.07) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.94! USER MOD Single : A 137 SER OG : rot -43:sc= 0.647 USER MOD Single : A 138 LYS NZ :NH3+ -155:sc= -0.943 (180deg=-3.38!) USER MOD Single : A 139 THR OG1 : rot -89:sc= 0.971 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.939 -6.025 -8.757 1.00 0.00 N ATOM 92 CA ASN A 51 -4.767 -7.457 -9.007 1.00 0.00 C ATOM 93 C ASN A 51 -3.909 -8.112 -7.919 1.00 0.00 C ATOM 94 O ASN A 51 -3.446 -7.444 -6.992 1.00 0.00 O ATOM 95 CB ASN A 51 -4.138 -7.686 -10.387 1.00 0.00 C ATOM 96 CG ASN A 51 -2.774 -7.035 -10.525 1.00 0.00 C ATOM 97 OD1 ASN A 51 -2.662 -5.810 -10.567 1.00 0.00 O ATOM 98 ND2 ASN A 51 -1.726 -7.851 -10.598 1.00 0.00 N ATOM 0 HA ASN A 51 -5.753 -7.921 -8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.044 -8.757 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.803 -7.292 -11.155 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.786 -7.467 -10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.862 -8.861 -10.559 1.00 0.00 H new ATOM 105 N PHE A 52 -3.704 -9.425 -8.039 1.00 0.00 N ATOM 106 CA PHE A 52 -2.907 -10.174 -7.070 1.00 0.00 C ATOM 107 C PHE A 52 -1.414 -9.968 -7.307 1.00 0.00 C ATOM 108 O PHE A 52 -0.929 -10.104 -8.434 1.00 0.00 O ATOM 109 CB PHE A 52 -3.241 -11.668 -7.133 1.00 0.00 C ATOM 110 CG PHE A 52 -4.714 -11.960 -7.054 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.497 -11.379 -6.068 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.317 -12.811 -7.968 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.850 -11.642 -5.995 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.671 -13.077 -7.899 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.438 -12.492 -6.910 1.00 0.00 C ATOM 0 H PHE A 52 -4.080 -9.991 -8.800 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.155 -9.796 -6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.847 -12.081 -8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.733 -12.180 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.043 -10.713 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.721 -13.271 -8.743 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.449 -11.183 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.129 -13.741 -8.617 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.496 -12.699 -6.853 1.00 0.00 H new ATOM 125 N GLY A 53 -0.694 -9.637 -6.238 1.00 0.00 N ATOM 126 CA GLY A 53 0.739 -9.409 -6.332 1.00 0.00 C ATOM 127 C GLY A 53 1.079 -8.027 -6.870 1.00 0.00 C ATOM 128 O GLY A 53 2.150 -7.832 -7.447 1.00 0.00 O ATOM 0 H GLY A 53 -1.081 -9.522 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.188 -9.531 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.182 -10.166 -6.980 1.00 0.00 H new ATOM 132 N ASP A 54 0.173 -7.068 -6.679 1.00 0.00 N ATOM 133 CA ASP A 54 0.387 -5.706 -7.150 1.00 0.00 C ATOM 134 C ASP A 54 0.407 -4.724 -5.985 1.00 0.00 C ATOM 135 O ASP A 54 -0.511 -4.703 -5.161 1.00 0.00 O ATOM 136 CB ASP A 54 -0.705 -5.306 -8.148 1.00 0.00 C ATOM 137 CG ASP A 54 -0.232 -4.264 -9.144 1.00 0.00 C ATOM 138 OD1 ASP A 54 0.840 -4.467 -9.753 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.934 -3.245 -9.313 1.00 0.00 O ATOM 0 H ASP A 54 -0.716 -7.213 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 54 1.355 -5.672 -7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.042 -6.192 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.566 -4.918 -7.603 1.00 0.00 H new ATOM 144 N ARG A 55 1.462 -3.914 -5.924 1.00 0.00 N ATOM 145 CA ARG A 55 1.608 -2.923 -4.859 1.00 0.00 C ATOM 146 C ARG A 55 0.491 -1.884 -4.931 1.00 0.00 C ATOM 147 O ARG A 55 0.399 -1.123 -5.895 1.00 0.00 O ATOM 148 CB ARG A 55 2.978 -2.233 -4.932 1.00 0.00 C ATOM 149 CG ARG A 55 3.362 -1.743 -6.323 1.00 0.00 C ATOM 150 CD ARG A 55 4.808 -2.088 -6.660 1.00 0.00 C ATOM 151 NE ARG A 55 4.932 -2.709 -7.976 1.00 0.00 N ATOM 152 CZ ARG A 55 4.771 -4.017 -8.205 1.00 0.00 C ATOM 153 NH1 ARG A 55 4.483 -4.846 -7.204 1.00 0.00 N ATOM 154 NH2 ARG A 55 4.898 -4.494 -9.436 1.00 0.00 N ATOM 0 H ARG A 55 2.227 -3.924 -6.598 1.00 0.00 H new ATOM 0 HA ARG A 55 1.538 -3.446 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.981 -1.385 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.741 -2.928 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.699 -2.191 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.222 -0.664 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.413 -1.182 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.205 -2.763 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 55 5.155 -2.108 -8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.384 -4.485 -6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.362 -5.842 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.118 -3.864 -10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.775 -5.491 -9.612 1.00 0.00 H new ATOM 168 N ILE A 56 -0.355 -1.866 -3.902 1.00 0.00 N ATOM 169 CA ILE A 56 -1.473 -0.926 -3.833 1.00 0.00 C ATOM 170 C ILE A 56 -1.349 -0.007 -2.618 1.00 0.00 C ATOM 171 O ILE A 56 -0.714 -0.362 -1.622 1.00 0.00 O ATOM 172 CB ILE A 56 -2.831 -1.661 -3.781 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.875 -2.635 -2.597 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.083 -2.398 -5.089 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.178 -3.396 -2.490 1.00 0.00 C ATOM 0 H ILE A 56 -0.287 -2.494 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.434 -0.325 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.619 -0.921 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.055 -3.346 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.711 -2.080 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.043 -2.911 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.096 -1.684 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.290 -3.127 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.139 -4.066 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.001 -2.692 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.335 -3.979 -3.398 1.00 0.00 H new ATOM 187 N LEU A 57 -1.959 1.173 -2.703 1.00 0.00 N ATOM 188 CA LEU A 57 -1.915 2.139 -1.608 1.00 0.00 C ATOM 189 C LEU A 57 -3.151 2.014 -0.730 1.00 0.00 C ATOM 190 O LEU A 57 -4.271 1.959 -1.230 1.00 0.00 O ATOM 191 CB LEU A 57 -1.807 3.565 -2.153 1.00 0.00 C ATOM 192 CG LEU A 57 -0.807 4.457 -1.416 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.605 3.915 -1.580 1.00 0.00 C ATOM 194 CD2 LEU A 57 -0.897 5.890 -1.918 1.00 0.00 C ATOM 0 H LEU A 57 -2.489 1.483 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.033 1.924 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.524 3.517 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.791 4.032 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.055 4.454 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.306 4.560 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.658 2.907 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.864 3.889 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.178 6.509 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.674 5.917 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.903 6.273 -1.748 1.00 0.00 H new ATOM 206 N VAL A 58 -2.942 1.971 0.582 1.00 0.00 N ATOM 207 CA VAL A 58 -4.049 1.851 1.523 1.00 0.00 C ATOM 208 C VAL A 58 -3.861 2.774 2.728 1.00 0.00 C ATOM 209 O VAL A 58 -2.774 2.852 3.303 1.00 0.00 O ATOM 210 CB VAL A 58 -4.222 0.391 1.999 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.933 -0.142 2.607 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.378 0.273 2.982 1.00 0.00 C ATOM 0 H VAL A 58 -2.020 2.017 1.016 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.953 2.155 0.995 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.458 -0.220 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.083 -1.171 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.139 -0.110 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.653 0.473 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.479 -0.764 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.183 0.903 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.301 0.595 2.499 1.00 0.00 H new ATOM 222 N LYS A 59 -4.931 3.470 3.100 1.00 0.00 N ATOM 223 CA LYS A 59 -4.901 4.392 4.232 1.00 0.00 C ATOM 224 C LYS A 59 -5.298 3.685 5.528 1.00 0.00 C ATOM 225 O LYS A 59 -6.251 2.905 5.551 1.00 0.00 O ATOM 226 CB LYS A 59 -5.838 5.573 3.965 1.00 0.00 C ATOM 227 CG LYS A 59 -5.527 6.804 4.801 1.00 0.00 C ATOM 228 CD LYS A 59 -6.667 7.131 5.752 1.00 0.00 C ATOM 229 CE LYS A 59 -6.619 8.582 6.206 1.00 0.00 C ATOM 230 NZ LYS A 59 -7.305 8.779 7.514 1.00 0.00 N ATOM 0 H LYS A 59 -5.835 3.413 2.631 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.882 4.760 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.781 5.838 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.864 5.262 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.613 6.637 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.343 7.655 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.620 6.934 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.616 6.475 6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.580 8.902 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.088 9.214 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.250 9.781 7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.303 8.498 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.842 8.196 8.240 1.00 0.00 H new ATOM 244 N ALA A 60 -4.558 3.965 6.600 1.00 0.00 N ATOM 245 CA ALA A 60 -4.828 3.359 7.904 1.00 0.00 C ATOM 246 C ALA A 60 -5.658 4.290 8.789 1.00 0.00 C ATOM 247 O ALA A 60 -5.764 5.488 8.513 1.00 0.00 O ATOM 248 CB ALA A 60 -3.518 2.999 8.593 1.00 0.00 C ATOM 0 H ALA A 60 -3.766 4.608 6.592 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.408 2.450 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.729 2.549 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.965 2.290 7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.921 3.900 8.734 1.00 0.00 H new ATOM 254 N PRO A 61 -6.258 3.756 9.872 1.00 0.00 N ATOM 255 CA PRO A 61 -7.074 4.553 10.796 1.00 0.00 C ATOM 256 C PRO A 61 -6.238 5.584 11.550 1.00 0.00 C ATOM 257 O PRO A 61 -5.560 5.256 12.526 1.00 0.00 O ATOM 258 CB PRO A 61 -7.652 3.514 11.762 1.00 0.00 C ATOM 259 CG PRO A 61 -6.715 2.359 11.689 1.00 0.00 C ATOM 260 CD PRO A 61 -6.183 2.341 10.283 1.00 0.00 C ATOM 0 HA PRO A 61 -7.839 5.128 10.274 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.714 3.909 12.776 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.661 3.223 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.905 2.468 12.411 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.228 1.426 11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.161 1.965 10.245 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.782 1.702 9.635 1.00 0.00 H new ATOM 268 N GLY A 62 -6.285 6.830 11.083 1.00 0.00 N ATOM 269 CA GLY A 62 -5.521 7.891 11.717 1.00 0.00 C ATOM 270 C GLY A 62 -4.264 8.255 10.941 1.00 0.00 C ATOM 271 O GLY A 62 -3.815 9.402 10.985 1.00 0.00 O ATOM 0 H GLY A 62 -6.838 7.123 10.278 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.150 8.776 11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.244 7.581 12.725 1.00 0.00 H new ATOM 275 N TYR A 63 -3.693 7.278 10.234 1.00 0.00 N ATOM 276 CA TYR A 63 -2.479 7.501 9.452 1.00 0.00 C ATOM 277 C TYR A 63 -2.805 7.661 7.967 1.00 0.00 C ATOM 278 O TYR A 63 -3.761 7.068 7.467 1.00 0.00 O ATOM 279 CB TYR A 63 -1.506 6.336 9.647 1.00 0.00 C ATOM 280 CG TYR A 63 -0.907 6.252 11.038 1.00 0.00 C ATOM 281 CD1 TYR A 63 -1.699 5.965 12.146 1.00 0.00 C ATOM 282 CD2 TYR A 63 0.452 6.450 11.238 1.00 0.00 C ATOM 283 CE1 TYR A 63 -1.150 5.882 13.411 1.00 0.00 C ATOM 284 CE2 TYR A 63 1.008 6.366 12.500 1.00 0.00 C ATOM 285 CZ TYR A 63 0.203 6.082 13.584 1.00 0.00 C ATOM 286 OH TYR A 63 0.753 5.996 14.842 1.00 0.00 O ATOM 0 H TYR A 63 -4.053 6.325 10.188 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.014 8.422 9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.026 5.403 9.431 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.698 6.426 8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.759 5.805 12.015 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.086 6.674 10.393 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.778 5.661 14.261 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.068 6.522 12.637 1.00 0.00 H new ATOM 0 HH TYR A 63 1.717 6.162 14.789 1.00 0.00 H new ATOM 296 N PRO A 64 -2.006 8.472 7.239 1.00 0.00 N ATOM 297 CA PRO A 64 -2.208 8.715 5.800 1.00 0.00 C ATOM 298 C PRO A 64 -2.095 7.436 4.963 1.00 0.00 C ATOM 299 O PRO A 64 -2.027 6.330 5.505 1.00 0.00 O ATOM 300 CB PRO A 64 -1.082 9.696 5.437 1.00 0.00 C ATOM 301 CG PRO A 64 -0.657 10.298 6.731 1.00 0.00 C ATOM 302 CD PRO A 64 -0.849 9.223 7.761 1.00 0.00 C ATOM 0 HA PRO A 64 -3.208 9.098 5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.253 9.182 4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.434 10.460 4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.384 10.620 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.254 11.179 6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.034 8.591 7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.049 9.640 8.748 1.00 0.00 H new ATOM 310 N TRP A 65 -2.082 7.598 3.638 1.00 0.00 N ATOM 311 CA TRP A 65 -1.983 6.461 2.722 1.00 0.00 C ATOM 312 C TRP A 65 -0.620 5.780 2.834 1.00 0.00 C ATOM 313 O TRP A 65 0.422 6.431 2.734 1.00 0.00 O ATOM 314 CB TRP A 65 -2.229 6.909 1.278 1.00 0.00 C ATOM 315 CG TRP A 65 -3.600 7.474 1.061 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.003 8.756 1.299 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.751 6.775 0.571 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.331 8.900 0.987 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.815 7.697 0.538 1.00 0.00 C ATOM 320 CE3 TRP A 65 -4.988 5.461 0.155 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.092 7.348 0.106 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.256 5.116 -0.274 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.293 6.056 -0.294 1.00 0.00 C ATOM 0 H TRP A 65 -2.139 8.506 3.176 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.751 5.740 3.003 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.487 7.659 1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.083 6.059 0.611 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.368 9.543 1.678 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.871 9.761 1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.194 4.729 0.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.894 8.071 0.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.450 4.104 -0.599 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.273 5.754 -0.633 1.00 0.00 H new ATOM 334 N TRP A 66 -0.637 4.465 3.044 1.00 0.00 N ATOM 335 CA TRP A 66 0.591 3.687 3.178 1.00 0.00 C ATOM 336 C TRP A 66 0.728 2.677 2.037 1.00 0.00 C ATOM 337 O TRP A 66 -0.264 2.090 1.598 1.00 0.00 O ATOM 338 CB TRP A 66 0.612 2.960 4.522 1.00 0.00 C ATOM 339 CG TRP A 66 1.990 2.806 5.085 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.727 1.659 5.145 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.802 3.838 5.654 1.00 0.00 C ATOM 342 NE1 TRP A 66 3.947 1.913 5.720 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.016 3.243 6.042 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.621 5.206 5.874 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.044 3.969 6.636 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.644 5.925 6.463 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.842 5.305 6.836 1.00 0.00 C ATOM 0 H TRP A 66 -1.492 3.915 3.125 1.00 0.00 H new ATOM 0 HA TRP A 66 1.434 4.376 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.006 3.507 5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.163 1.974 4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.398 0.693 4.792 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.682 1.224 5.881 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.700 5.692 5.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.968 3.493 6.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.517 6.983 6.638 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.623 5.895 7.292 1.00 0.00 H new ATOM 358 N PRO A 67 1.963 2.462 1.539 1.00 0.00 N ATOM 359 CA PRO A 67 2.218 1.521 0.445 1.00 0.00 C ATOM 360 C PRO A 67 2.187 0.063 0.899 1.00 0.00 C ATOM 361 O PRO A 67 3.003 -0.362 1.722 1.00 0.00 O ATOM 362 CB PRO A 67 3.618 1.908 -0.023 1.00 0.00 C ATOM 363 CG PRO A 67 4.283 2.441 1.199 1.00 0.00 C ATOM 364 CD PRO A 67 3.204 3.122 1.998 1.00 0.00 C ATOM 0 HA PRO A 67 1.456 1.583 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.155 1.048 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.580 2.657 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.745 1.638 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.075 3.142 0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.355 2.991 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.181 4.195 1.808 1.00 0.00 H new ATOM 372 N ALA A 68 1.245 -0.699 0.349 1.00 0.00 N ATOM 373 CA ALA A 68 1.104 -2.114 0.676 1.00 0.00 C ATOM 374 C ALA A 68 1.113 -2.962 -0.596 1.00 0.00 C ATOM 375 O ALA A 68 1.118 -2.428 -1.705 1.00 0.00 O ATOM 376 CB ALA A 68 -0.177 -2.345 1.471 1.00 0.00 C ATOM 0 H ALA A 68 0.564 -0.357 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 68 1.952 -2.417 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.271 -3.404 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.141 -1.767 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.035 -2.029 0.878 1.00 0.00 H new ATOM 382 N LEU A 69 1.123 -4.280 -0.433 1.00 0.00 N ATOM 383 CA LEU A 69 1.137 -5.190 -1.579 1.00 0.00 C ATOM 384 C LEU A 69 -0.010 -6.194 -1.495 1.00 0.00 C ATOM 385 O LEU A 69 -0.083 -6.983 -0.552 1.00 0.00 O ATOM 386 CB LEU A 69 2.478 -5.928 -1.652 1.00 0.00 C ATOM 387 CG LEU A 69 3.192 -5.853 -3.004 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.287 -4.797 -2.976 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.768 -7.210 -3.381 1.00 0.00 C ATOM 0 H LEU A 69 1.122 -4.743 0.476 1.00 0.00 H new ATOM 0 HA LEU A 69 1.006 -4.597 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.140 -5.522 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.311 -6.977 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 69 2.461 -5.568 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.782 -4.760 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.848 -3.824 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.016 -5.049 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.272 -7.136 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.483 -7.526 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.963 -7.941 -3.447 1.00 0.00 H new ATOM 401 N LEU A 70 -0.902 -6.160 -2.485 1.00 0.00 N ATOM 402 CA LEU A 70 -2.048 -7.068 -2.524 1.00 0.00 C ATOM 403 C LEU A 70 -1.602 -8.512 -2.745 1.00 0.00 C ATOM 404 O LEU A 70 -0.803 -8.791 -3.637 1.00 0.00 O ATOM 405 CB LEU A 70 -3.022 -6.651 -3.632 1.00 0.00 C ATOM 406 CG LEU A 70 -4.505 -6.861 -3.310 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.373 -5.938 -4.153 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.898 -8.316 -3.528 1.00 0.00 C ATOM 0 H LEU A 70 -0.853 -5.512 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.553 -7.008 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.861 -5.597 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.780 -7.210 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.666 -6.616 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.423 -6.103 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.110 -4.901 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.209 -6.149 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.955 -8.446 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.720 -8.589 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.301 -8.955 -2.878 1.00 0.00 H new ATOM 420 N LEU A 71 -2.129 -9.427 -1.928 1.00 0.00 N ATOM 421 CA LEU A 71 -1.788 -10.843 -2.041 1.00 0.00 C ATOM 422 C LEU A 71 -2.938 -11.635 -2.665 1.00 0.00 C ATOM 423 O LEU A 71 -2.760 -12.296 -3.689 1.00 0.00 O ATOM 424 CB LEU A 71 -1.439 -11.427 -0.668 1.00 0.00 C ATOM 425 CG LEU A 71 -0.076 -11.006 -0.108 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.246 -9.960 0.986 1.00 0.00 C ATOM 427 CD2 LEU A 71 0.681 -12.216 0.422 1.00 0.00 C ATOM 0 H LEU A 71 -2.792 -9.211 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.917 -10.924 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.212 -11.133 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.466 -12.515 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 71 0.506 -10.564 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.733 -9.674 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.745 -9.082 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.847 -10.374 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.646 -11.898 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.103 -12.687 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.837 -12.931 -0.386 1.00 0.00 H new ATOM 439 N ARG A 72 -4.116 -11.564 -2.039 1.00 0.00 N ATOM 440 CA ARG A 72 -5.295 -12.275 -2.531 1.00 0.00 C ATOM 441 C ARG A 72 -6.587 -11.585 -2.095 1.00 0.00 C ATOM 442 O ARG A 72 -6.608 -10.849 -1.106 1.00 0.00 O ATOM 443 CB ARG A 72 -5.288 -13.723 -2.030 1.00 0.00 C ATOM 444 CG ARG A 72 -4.733 -14.714 -3.038 1.00 0.00 C ATOM 445 CD ARG A 72 -5.840 -15.410 -3.816 1.00 0.00 C ATOM 446 NE ARG A 72 -5.508 -15.556 -5.232 1.00 0.00 N ATOM 447 CZ ARG A 72 -4.565 -16.381 -5.699 1.00 0.00 C ATOM 448 NH1 ARG A 72 -3.849 -17.132 -4.864 1.00 0.00 N ATOM 449 NH2 ARG A 72 -4.335 -16.453 -7.006 1.00 0.00 N ATOM 0 H ARG A 72 -4.277 -11.021 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.255 -12.267 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.698 -13.779 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.306 -14.013 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.072 -14.195 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.129 -15.459 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.023 -16.394 -3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.765 -14.841 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.028 -14.994 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.018 -17.081 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.132 -17.759 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.878 -15.879 -7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.616 -17.082 -7.363 1.00 0.00 H new ATOM 463 N ARG A 73 -7.666 -11.844 -2.835 1.00 0.00 N ATOM 464 CA ARG A 73 -8.974 -11.264 -2.531 1.00 0.00 C ATOM 465 C ARG A 73 -9.908 -12.330 -1.966 1.00 0.00 C ATOM 466 O ARG A 73 -10.586 -13.039 -2.714 1.00 0.00 O ATOM 467 CB ARG A 73 -9.587 -10.636 -3.785 1.00 0.00 C ATOM 468 CG ARG A 73 -10.790 -9.747 -3.500 1.00 0.00 C ATOM 469 CD ARG A 73 -11.865 -9.898 -4.568 1.00 0.00 C ATOM 470 NE ARG A 73 -12.254 -8.611 -5.146 1.00 0.00 N ATOM 471 CZ ARG A 73 -13.052 -8.482 -6.211 1.00 0.00 C ATOM 472 NH1 ARG A 73 -13.551 -9.556 -6.816 1.00 0.00 N ATOM 473 NH2 ARG A 73 -13.348 -7.273 -6.674 1.00 0.00 N ATOM 0 H ARG A 73 -7.659 -12.454 -3.652 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.839 -10.483 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.825 -10.048 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.887 -11.430 -4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.207 -10.000 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.470 -8.706 -3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.500 -10.554 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.741 -10.379 -4.134 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.895 -7.762 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.326 -10.488 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.159 -9.448 -7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.967 -6.445 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.957 -7.173 -7.486 1.00 0.00 H new ATOM 487 N LYS A 74 -9.929 -12.445 -0.641 1.00 0.00 N ATOM 488 CA LYS A 74 -10.773 -13.432 0.033 1.00 0.00 C ATOM 489 C LYS A 74 -12.152 -12.855 0.354 1.00 0.00 C ATOM 490 O LYS A 74 -12.270 -11.708 0.789 1.00 0.00 O ATOM 491 CB LYS A 74 -10.100 -13.917 1.320 1.00 0.00 C ATOM 492 CG LYS A 74 -9.518 -12.796 2.167 1.00 0.00 C ATOM 493 CD LYS A 74 -9.664 -13.087 3.651 1.00 0.00 C ATOM 494 CE LYS A 74 -9.680 -11.806 4.472 1.00 0.00 C ATOM 495 NZ LYS A 74 -8.504 -11.707 5.382 1.00 0.00 N ATOM 0 H LYS A 74 -9.372 -11.868 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.904 -14.276 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.828 -14.469 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.304 -14.616 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.464 -12.664 1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.021 -11.859 1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.585 -13.643 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.841 -13.722 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.692 -10.947 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.597 -11.764 5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.775 -11.193 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.180 -12.662 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.736 -11.196 4.902 1.00 0.00 H new ATOM 509 N GLU A 75 -13.190 -13.662 0.136 1.00 0.00 N ATOM 510 CA GLU A 75 -14.563 -13.242 0.399 1.00 0.00 C ATOM 511 C GLU A 75 -15.177 -14.054 1.537 1.00 0.00 C ATOM 512 O GLU A 75 -15.555 -15.213 1.350 1.00 0.00 O ATOM 513 CB GLU A 75 -15.414 -13.396 -0.867 1.00 0.00 C ATOM 514 CG GLU A 75 -16.296 -12.195 -1.160 1.00 0.00 C ATOM 515 CD GLU A 75 -17.346 -12.484 -2.218 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.117 -13.451 -2.043 1.00 0.00 O ATOM 517 OE2 GLU A 75 -17.395 -11.741 -3.222 1.00 0.00 O ATOM 0 H GLU A 75 -13.104 -14.613 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.544 -12.193 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.755 -13.568 -1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -16.042 -14.281 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.789 -11.879 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.673 -11.364 -1.490 1.00 0.00 H new ATOM 524 N THR A 76 -15.280 -13.439 2.714 1.00 0.00 N ATOM 525 CA THR A 76 -15.858 -14.107 3.879 1.00 0.00 C ATOM 526 C THR A 76 -17.200 -13.481 4.253 1.00 0.00 C ATOM 527 O THR A 76 -17.458 -12.315 3.954 1.00 0.00 O ATOM 528 CB THR A 76 -14.889 -14.056 5.069 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.412 -14.777 6.170 1.00 0.00 O ATOM 530 CG2 THR A 76 -14.581 -12.651 5.545 1.00 0.00 C ATOM 0 H THR A 76 -14.972 -12.482 2.886 1.00 0.00 H new ATOM 0 HA THR A 76 -16.030 -15.152 3.620 1.00 0.00 H new ATOM 0 HB THR A 76 -13.965 -14.502 4.702 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.781 -14.735 6.918 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.891 -12.695 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.127 -12.083 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.504 -12.162 5.858 1.00 0.00 H new ATOM 666 N PHE A 86 -22.054 -9.433 3.552 1.00 0.00 N ATOM 667 CA PHE A 86 -20.784 -9.929 3.024 1.00 0.00 C ATOM 668 C PHE A 86 -19.610 -9.140 3.598 1.00 0.00 C ATOM 669 O PHE A 86 -19.728 -7.944 3.874 1.00 0.00 O ATOM 670 CB PHE A 86 -20.763 -9.843 1.492 1.00 0.00 C ATOM 671 CG PHE A 86 -21.284 -11.077 0.804 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.522 -11.606 1.134 1.00 0.00 C ATOM 673 CD2 PHE A 86 -20.532 -11.703 -0.179 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.001 -12.736 0.497 1.00 0.00 C ATOM 675 CE2 PHE A 86 -21.006 -12.832 -0.819 1.00 0.00 C ATOM 676 CZ PHE A 86 -22.242 -13.349 -0.480 1.00 0.00 C ATOM 0 HA PHE A 86 -20.686 -10.973 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.358 -8.985 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.740 -9.660 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.119 -11.130 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.565 -11.303 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -23.967 -13.138 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -20.411 -13.310 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 86 -22.614 -14.232 -0.979 1.00 0.00 H new ATOM 686 N ASN A 87 -18.476 -9.817 3.772 1.00 0.00 N ATOM 687 CA ASN A 87 -17.280 -9.180 4.308 1.00 0.00 C ATOM 688 C ASN A 87 -16.048 -9.568 3.495 1.00 0.00 C ATOM 689 O ASN A 87 -15.287 -10.457 3.880 1.00 0.00 O ATOM 690 CB ASN A 87 -17.079 -9.574 5.776 1.00 0.00 C ATOM 691 CG ASN A 87 -17.933 -8.755 6.726 1.00 0.00 C ATOM 692 OD1 ASN A 87 -17.601 -7.617 7.051 1.00 0.00 O ATOM 693 ND2 ASN A 87 -19.041 -9.336 7.181 1.00 0.00 N ATOM 0 H ASN A 87 -18.363 -10.806 3.549 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.414 -8.100 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.317 -10.631 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.029 -9.450 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.652 -8.834 7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -19.279 -10.283 6.885 1.00 0.00 H new ATOM 700 N VAL A 88 -15.851 -8.886 2.373 1.00 0.00 N ATOM 701 CA VAL A 88 -14.703 -9.146 1.510 1.00 0.00 C ATOM 702 C VAL A 88 -13.615 -8.103 1.739 1.00 0.00 C ATOM 703 O VAL A 88 -13.901 -6.908 1.846 1.00 0.00 O ATOM 704 CB VAL A 88 -15.096 -9.166 0.015 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.822 -7.887 -0.380 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.872 -9.391 -0.866 1.00 0.00 C ATOM 0 H VAL A 88 -16.471 -8.148 2.039 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.323 -10.133 1.772 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.782 -9.999 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.086 -7.930 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.729 -7.784 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.172 -7.030 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.174 -9.401 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.154 -8.587 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.412 -10.346 -0.612 1.00 0.00 H new ATOM 716 N LEU A 89 -12.370 -8.563 1.821 1.00 0.00 N ATOM 717 CA LEU A 89 -11.239 -7.666 2.047 1.00 0.00 C ATOM 718 C LEU A 89 -10.059 -7.997 1.137 1.00 0.00 C ATOM 719 O LEU A 89 -10.032 -9.039 0.478 1.00 0.00 O ATOM 720 CB LEU A 89 -10.772 -7.724 3.508 1.00 0.00 C ATOM 721 CG LEU A 89 -11.863 -7.983 4.548 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.247 -8.449 5.860 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.700 -6.730 4.762 1.00 0.00 C ATOM 0 H LEU A 89 -12.118 -9.548 1.735 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.590 -6.661 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.019 -8.507 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.282 -6.781 3.750 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.516 -8.773 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.037 -8.629 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.690 -9.371 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.572 -7.681 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.472 -6.931 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.060 -5.921 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.168 -6.440 3.821 1.00 0.00 H new ATOM 735 N TYR A 90 -9.080 -7.095 1.125 1.00 0.00 N ATOM 736 CA TYR A 90 -7.876 -7.256 0.325 1.00 0.00 C ATOM 737 C TYR A 90 -6.683 -7.570 1.222 1.00 0.00 C ATOM 738 O TYR A 90 -6.181 -6.690 1.926 1.00 0.00 O ATOM 739 CB TYR A 90 -7.598 -5.977 -0.470 1.00 0.00 C ATOM 740 CG TYR A 90 -8.128 -6.009 -1.885 1.00 0.00 C ATOM 741 CD1 TYR A 90 -8.090 -7.179 -2.631 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.667 -4.873 -2.473 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.574 -7.218 -3.920 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.154 -4.903 -3.764 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.106 -6.077 -4.485 1.00 0.00 C ATOM 746 OH TYR A 90 -9.590 -6.110 -5.773 1.00 0.00 O ATOM 0 H TYR A 90 -9.102 -6.233 1.671 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.028 -8.084 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.042 -5.131 0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.522 -5.805 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.674 -8.074 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.706 -3.951 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.537 -8.137 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.571 -4.011 -4.207 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.930 -5.224 -6.018 1.00 0.00 H new ATOM 756 N LYS A 91 -6.228 -8.821 1.195 1.00 0.00 N ATOM 757 CA LYS A 91 -5.086 -9.233 2.008 1.00 0.00 C ATOM 758 C LYS A 91 -3.804 -8.595 1.474 1.00 0.00 C ATOM 759 O LYS A 91 -3.139 -9.158 0.603 1.00 0.00 O ATOM 760 CB LYS A 91 -4.953 -10.761 2.021 1.00 0.00 C ATOM 761 CG LYS A 91 -6.202 -11.487 2.505 1.00 0.00 C ATOM 762 CD LYS A 91 -5.850 -12.731 3.312 1.00 0.00 C ATOM 763 CE LYS A 91 -6.237 -14.011 2.580 1.00 0.00 C ATOM 764 NZ LYS A 91 -5.810 -13.995 1.152 1.00 0.00 N ATOM 0 H LYS A 91 -6.630 -9.563 0.622 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.250 -8.895 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.713 -11.103 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.114 -11.037 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.801 -10.813 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.814 -11.769 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.780 -12.740 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.359 -12.695 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.785 -14.866 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.317 -14.145 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.598 -14.965 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.574 -13.604 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.959 -13.405 1.051 1.00 0.00 H new ATOM 778 N VAL A 92 -3.474 -7.411 1.988 1.00 0.00 N ATOM 779 CA VAL A 92 -2.281 -6.689 1.549 1.00 0.00 C ATOM 780 C VAL A 92 -1.185 -6.716 2.608 1.00 0.00 C ATOM 781 O VAL A 92 -1.467 -6.817 3.800 1.00 0.00 O ATOM 782 CB VAL A 92 -2.602 -5.217 1.208 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.745 -5.136 0.210 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.922 -4.418 2.466 1.00 0.00 C ATOM 0 H VAL A 92 -4.015 -6.932 2.708 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.928 -7.200 0.653 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.716 -4.776 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.956 -4.091 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.466 -5.658 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.634 -5.601 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.144 -3.386 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.786 -4.856 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.065 -4.440 3.139 1.00 0.00 H new ATOM 794 N LEU A 93 0.066 -6.609 2.161 1.00 0.00 N ATOM 795 CA LEU A 93 1.208 -6.605 3.067 1.00 0.00 C ATOM 796 C LEU A 93 1.817 -5.209 3.156 1.00 0.00 C ATOM 797 O LEU A 93 2.042 -4.555 2.136 1.00 0.00 O ATOM 798 CB LEU A 93 2.264 -7.615 2.610 1.00 0.00 C ATOM 799 CG LEU A 93 2.996 -8.339 3.745 1.00 0.00 C ATOM 800 CD1 LEU A 93 2.917 -9.849 3.568 1.00 0.00 C ATOM 801 CD2 LEU A 93 4.444 -7.883 3.819 1.00 0.00 C ATOM 0 H LEU A 93 0.312 -6.524 1.175 1.00 0.00 H new ATOM 0 HA LEU A 93 0.857 -6.895 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.784 -8.359 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.000 -7.097 1.995 1.00 0.00 H new ATOM 0 HG LEU A 93 2.504 -8.084 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.444 -10.339 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.873 -10.161 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.377 -10.129 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.949 -8.407 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.944 -8.105 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.478 -6.809 4.004 1.00 0.00 H new ATOM 813 N PHE A 94 2.078 -4.752 4.381 1.00 0.00 N ATOM 814 CA PHE A 94 2.658 -3.429 4.599 1.00 0.00 C ATOM 815 C PHE A 94 4.182 -3.514 4.705 1.00 0.00 C ATOM 816 O PHE A 94 4.736 -4.584 4.961 1.00 0.00 O ATOM 817 CB PHE A 94 2.091 -2.803 5.875 1.00 0.00 C ATOM 818 CG PHE A 94 0.797 -2.058 5.684 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.327 -2.692 5.169 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.705 -0.721 6.033 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.513 -2.001 5.007 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.477 -0.026 5.869 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.588 -0.667 5.356 1.00 0.00 C ATOM 0 H PHE A 94 1.897 -5.279 5.236 1.00 0.00 H new ATOM 0 HA PHE A 94 2.399 -2.803 3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.937 -3.590 6.613 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.832 -2.119 6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.273 -3.735 4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.569 -0.215 6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.381 -2.504 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.533 1.018 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.514 -0.126 5.228 1.00 0.00 H new ATOM 833 N PHE A 95 4.852 -2.380 4.505 1.00 0.00 N ATOM 834 CA PHE A 95 6.312 -2.326 4.575 1.00 0.00 C ATOM 835 C PHE A 95 6.784 -1.039 5.254 1.00 0.00 C ATOM 836 O PHE A 95 6.081 -0.026 5.231 1.00 0.00 O ATOM 837 CB PHE A 95 6.917 -2.415 3.169 1.00 0.00 C ATOM 838 CG PHE A 95 6.311 -3.489 2.310 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.157 -3.245 1.584 1.00 0.00 C ATOM 840 CD2 PHE A 95 6.895 -4.743 2.233 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.598 -4.230 0.797 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.340 -5.733 1.448 1.00 0.00 C ATOM 843 CZ PHE A 95 5.188 -5.476 0.728 1.00 0.00 C ATOM 0 H PHE A 95 4.408 -1.487 4.293 1.00 0.00 H new ATOM 0 HA PHE A 95 6.648 -3.176 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.795 -1.453 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.988 -2.595 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.690 -2.273 1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.795 -4.948 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.699 -4.026 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.805 -6.707 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.751 -6.249 0.113 1.00 0.00 H new ATOM 853 N PRO A 96 7.986 -1.058 5.867 1.00 0.00 N ATOM 854 CA PRO A 96 8.853 -2.236 5.918 1.00 0.00 C ATOM 855 C PRO A 96 8.586 -3.116 7.145 1.00 0.00 C ATOM 856 O PRO A 96 7.653 -2.863 7.909 1.00 0.00 O ATOM 857 CB PRO A 96 10.241 -1.607 6.006 1.00 0.00 C ATOM 858 CG PRO A 96 10.039 -0.331 6.763 1.00 0.00 C ATOM 859 CD PRO A 96 8.597 0.086 6.565 1.00 0.00 C ATOM 0 HA PRO A 96 8.705 -2.901 5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.941 -2.265 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.652 -1.417 5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.256 -0.474 7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.716 0.442 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.104 0.282 7.517 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.523 0.999 5.974 1.00 0.00 H new ATOM 867 N ASP A 97 9.419 -4.148 7.322 1.00 0.00 N ATOM 868 CA ASP A 97 9.303 -5.078 8.453 1.00 0.00 C ATOM 869 C ASP A 97 8.045 -5.958 8.374 1.00 0.00 C ATOM 870 O ASP A 97 7.788 -6.748 9.283 1.00 0.00 O ATOM 871 CB ASP A 97 9.320 -4.310 9.782 1.00 0.00 C ATOM 872 CG ASP A 97 10.605 -4.525 10.564 1.00 0.00 C ATOM 873 OD1 ASP A 97 11.689 -4.538 9.942 1.00 0.00 O ATOM 874 OD2 ASP A 97 10.525 -4.681 11.802 1.00 0.00 O ATOM 0 H ASP A 97 10.189 -4.362 6.689 1.00 0.00 H new ATOM 0 HA ASP A 97 10.165 -5.742 8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.193 -3.246 9.584 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.472 -4.624 10.390 1.00 0.00 H new ATOM 879 N PHE A 98 7.276 -5.834 7.286 1.00 0.00 N ATOM 880 CA PHE A 98 6.058 -6.630 7.095 1.00 0.00 C ATOM 881 C PHE A 98 4.983 -6.275 8.124 1.00 0.00 C ATOM 882 O PHE A 98 5.204 -6.380 9.330 1.00 0.00 O ATOM 883 CB PHE A 98 6.371 -8.130 7.177 1.00 0.00 C ATOM 884 CG PHE A 98 7.394 -8.606 6.182 1.00 0.00 C ATOM 885 CD1 PHE A 98 7.456 -8.066 4.906 1.00 0.00 C ATOM 886 CD2 PHE A 98 8.287 -9.608 6.524 1.00 0.00 C ATOM 887 CE1 PHE A 98 8.391 -8.513 3.995 1.00 0.00 C ATOM 888 CE2 PHE A 98 9.223 -10.060 5.616 1.00 0.00 C ATOM 889 CZ PHE A 98 9.277 -9.514 4.350 1.00 0.00 C ATOM 0 H PHE A 98 7.476 -5.188 6.522 1.00 0.00 H new ATOM 0 HA PHE A 98 5.674 -6.395 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.724 -8.361 8.182 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.448 -8.690 7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.764 -7.287 4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 98 8.250 -10.041 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.431 -8.082 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 98 9.914 -10.842 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 98 10.009 -9.867 3.639 1.00 0.00 H new ATOM 899 N ASN A 99 3.812 -5.865 7.633 1.00 0.00 N ATOM 900 CA ASN A 99 2.695 -5.499 8.506 1.00 0.00 C ATOM 901 C ASN A 99 1.363 -5.583 7.757 1.00 0.00 C ATOM 902 O ASN A 99 0.540 -4.668 7.811 1.00 0.00 O ATOM 903 CB ASN A 99 2.897 -4.089 9.046 1.00 0.00 C ATOM 904 CG ASN A 99 2.828 -4.032 10.561 1.00 0.00 C ATOM 905 OD1 ASN A 99 1.808 -4.369 11.159 1.00 0.00 O ATOM 906 ND2 ASN A 99 3.918 -3.601 11.190 1.00 0.00 N ATOM 0 H ASN A 99 3.613 -5.778 6.636 1.00 0.00 H new ATOM 0 HA ASN A 99 2.666 -6.204 9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.865 -3.712 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.137 -3.430 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.929 -3.540 12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.743 -3.331 10.654 1.00 0.00 H new ATOM 913 N PHE A 100 1.176 -6.682 7.043 1.00 0.00 N ATOM 914 CA PHE A 100 -0.035 -6.911 6.254 1.00 0.00 C ATOM 915 C PHE A 100 -1.316 -6.560 7.021 1.00 0.00 C ATOM 916 O PHE A 100 -1.347 -6.562 8.253 1.00 0.00 O ATOM 917 CB PHE A 100 -0.089 -8.361 5.770 1.00 0.00 C ATOM 918 CG PHE A 100 0.231 -9.368 6.833 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.544 -9.619 7.198 1.00 0.00 C ATOM 920 CD2 PHE A 100 -0.781 -10.064 7.462 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.838 -10.549 8.174 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.498 -10.995 8.436 1.00 0.00 C ATOM 923 CZ PHE A 100 0.815 -11.241 8.793 1.00 0.00 C ATOM 0 H PHE A 100 1.855 -7.442 6.991 1.00 0.00 H new ATOM 0 HA PHE A 100 0.016 -6.242 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.085 -8.566 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.611 -8.484 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.346 -9.081 6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.808 -9.876 7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.865 -10.735 8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.300 -11.532 8.920 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.040 -11.973 9.554 1.00 0.00 H new ATOM 933 N ALA A 101 -2.366 -6.260 6.257 1.00 0.00 N ATOM 934 CA ALA A 101 -3.672 -5.894 6.805 1.00 0.00 C ATOM 935 C ALA A 101 -4.793 -6.254 5.827 1.00 0.00 C ATOM 936 O ALA A 101 -4.533 -6.630 4.683 1.00 0.00 O ATOM 937 CB ALA A 101 -3.706 -4.400 7.116 1.00 0.00 C ATOM 0 H ALA A 101 -2.335 -6.264 5.237 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.829 -6.455 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.682 -4.135 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.931 -4.162 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.529 -3.834 6.201 1.00 0.00 H new ATOM 943 N TRP A 102 -6.042 -6.135 6.285 1.00 0.00 N ATOM 944 CA TRP A 102 -7.205 -6.447 5.451 1.00 0.00 C ATOM 945 C TRP A 102 -8.071 -5.204 5.238 1.00 0.00 C ATOM 946 O TRP A 102 -8.611 -4.643 6.192 1.00 0.00 O ATOM 947 CB TRP A 102 -8.040 -7.564 6.091 1.00 0.00 C ATOM 948 CG TRP A 102 -7.226 -8.722 6.591 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.056 -9.193 6.063 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.521 -9.557 7.717 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.607 -10.265 6.794 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.487 -10.510 7.813 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.556 -9.591 8.655 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -6.464 -11.484 8.809 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -8.531 -10.559 9.642 1.00 0.00 C ATOM 956 CH2 TRP A 102 -7.489 -11.494 9.714 1.00 0.00 C ATOM 0 H TRP A 102 -6.273 -5.825 7.229 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.843 -6.788 4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.610 -7.148 6.922 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.762 -7.929 5.360 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.558 -8.782 5.197 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.755 -10.794 6.608 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.362 -8.873 8.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.663 -12.207 8.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -9.328 -10.595 10.370 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.496 -12.236 10.499 1.00 0.00 H new ATOM 967 N VAL A 103 -8.201 -4.778 3.980 1.00 0.00 N ATOM 968 CA VAL A 103 -9.003 -3.599 3.639 1.00 0.00 C ATOM 969 C VAL A 103 -10.190 -3.988 2.758 1.00 0.00 C ATOM 970 O VAL A 103 -10.124 -4.964 2.018 1.00 0.00 O ATOM 971 CB VAL A 103 -8.154 -2.532 2.915 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.925 -1.228 2.768 1.00 0.00 C ATOM 973 CG2 VAL A 103 -6.842 -2.296 3.654 1.00 0.00 C ATOM 0 H VAL A 103 -7.761 -5.232 3.179 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.371 -3.176 4.574 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.926 -2.905 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.304 -0.494 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.831 -1.405 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.193 -0.850 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.259 -1.541 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.052 -1.952 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.276 -3.227 3.697 1.00 0.00 H new ATOM 983 N LYS A 104 -11.282 -3.226 2.847 1.00 0.00 N ATOM 984 CA LYS A 104 -12.484 -3.520 2.057 1.00 0.00 C ATOM 985 C LYS A 104 -12.440 -2.889 0.658 1.00 0.00 C ATOM 986 O LYS A 104 -13.487 -2.644 0.057 1.00 0.00 O ATOM 987 CB LYS A 104 -13.737 -3.041 2.802 1.00 0.00 C ATOM 988 CG LYS A 104 -14.323 -4.075 3.750 1.00 0.00 C ATOM 989 CD LYS A 104 -15.840 -3.979 3.821 1.00 0.00 C ATOM 990 CE LYS A 104 -16.490 -5.356 3.798 1.00 0.00 C ATOM 991 NZ LYS A 104 -16.866 -5.823 5.164 1.00 0.00 N ATOM 0 H LYS A 104 -11.361 -2.408 3.451 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.520 -4.601 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.490 -2.143 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.496 -2.760 2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.037 -5.074 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.903 -3.935 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -16.130 -3.454 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.208 -3.388 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.379 -5.326 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.804 -6.073 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -16.406 -6.735 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -16.557 -5.122 5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.898 -5.937 5.220 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.231 -2.627 0.143 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.049 -2.027 -1.189 1.00 0.00 C ATOM 1007 C ARG A 105 -11.348 -0.521 -1.201 1.00 0.00 C ATOM 1008 O ARG A 105 -10.857 0.203 -2.067 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.929 -2.723 -2.234 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.945 -4.241 -2.129 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.365 -4.787 -2.115 1.00 0.00 C ATOM 1012 NE ARG A 105 -13.892 -4.989 -3.466 1.00 0.00 N ATOM 1013 CZ ARG A 105 -14.701 -4.127 -4.096 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -15.086 -2.995 -3.506 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -15.130 -4.401 -5.324 1.00 0.00 N ATOM 0 H ARG A 105 -10.357 -2.822 0.632 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.998 -2.168 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.950 -2.353 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.582 -2.443 -3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.398 -4.670 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.427 -4.549 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.384 -5.733 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.013 -4.097 -1.573 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.626 -5.841 -3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.764 -2.776 -2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.702 -2.348 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.843 -5.265 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.746 -3.747 -5.807 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.160 -0.060 -0.250 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.532 1.349 -0.166 1.00 0.00 C ATOM 1031 C ASN A 106 -11.346 2.212 0.253 1.00 0.00 C ATOM 1032 O ASN A 106 -11.141 3.299 -0.287 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.685 1.537 0.824 1.00 0.00 C ATOM 1034 CG ASN A 106 -14.860 0.613 0.540 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.100 0.228 -0.604 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -15.600 0.251 1.585 1.00 0.00 N ATOM 0 H ASN A 106 -12.573 -0.646 0.475 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.853 1.667 -1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.323 1.356 1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.025 2.572 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.400 -0.368 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.367 0.592 2.518 1.00 0.00 H new ATOM 1043 N SER A 107 -10.569 1.722 1.217 1.00 0.00 N ATOM 1044 CA SER A 107 -9.403 2.457 1.703 1.00 0.00 C ATOM 1045 C SER A 107 -8.136 2.081 0.927 1.00 0.00 C ATOM 1046 O SER A 107 -7.024 2.324 1.397 1.00 0.00 O ATOM 1047 CB SER A 107 -9.200 2.189 3.196 1.00 0.00 C ATOM 1048 OG SER A 107 -9.891 3.146 3.981 1.00 0.00 O ATOM 0 H SER A 107 -10.724 0.824 1.675 1.00 0.00 H new ATOM 0 HA SER A 107 -9.589 3.519 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.554 1.188 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.137 2.218 3.433 1.00 0.00 H new ATOM 0 HG SER A 107 -9.748 2.954 4.931 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.306 1.488 -0.260 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.172 1.084 -1.086 1.00 0.00 C ATOM 1056 C VAL A 108 -7.264 1.689 -2.488 1.00 0.00 C ATOM 1057 O VAL A 108 -8.354 1.806 -3.050 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.086 -0.452 -1.203 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -5.856 -0.870 -2.001 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.073 -1.101 0.175 1.00 0.00 C ATOM 0 H VAL A 108 -9.218 1.279 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.273 1.456 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.972 -0.797 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.819 -1.957 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.911 -0.445 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.958 -0.507 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.012 -2.184 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.211 -0.743 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.987 -0.841 0.708 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.113 2.067 -3.047 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.055 2.652 -4.385 1.00 0.00 C ATOM 1072 C LYS A 109 -4.893 2.060 -5.187 1.00 0.00 C ATOM 1073 O LYS A 109 -3.819 1.806 -4.634 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.906 4.174 -4.291 1.00 0.00 C ATOM 1075 CG LYS A 109 -6.358 4.909 -5.544 1.00 0.00 C ATOM 1076 CD LYS A 109 -6.854 6.311 -5.226 1.00 0.00 C ATOM 1077 CE LYS A 109 -8.129 6.640 -5.988 1.00 0.00 C ATOM 1078 NZ LYS A 109 -8.345 8.110 -6.104 1.00 0.00 N ATOM 0 H LYS A 109 -5.205 1.977 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.986 2.417 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.483 4.535 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.862 4.417 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.530 4.968 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.153 4.344 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.037 6.399 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.081 7.037 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.080 6.201 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.981 6.187 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.224 8.291 -6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.418 8.526 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.544 8.540 -6.610 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.089 1.829 -6.503 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.048 1.260 -7.373 1.00 0.00 C ATOM 1094 C PRO A 110 -2.781 2.113 -7.396 1.00 0.00 C ATOM 1095 O PRO A 110 -2.828 3.300 -7.723 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.702 1.238 -8.761 1.00 0.00 C ATOM 1097 CG PRO A 110 -6.168 1.299 -8.503 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.336 2.098 -7.243 1.00 0.00 C ATOM 0 HA PRO A 110 -3.727 0.278 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.373 2.084 -9.365 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.436 0.333 -9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.691 1.770 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.586 0.299 -8.389 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.458 3.161 -7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.214 1.782 -6.680 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.652 1.498 -7.048 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.367 2.196 -7.030 1.00 0.00 C ATOM 1108 C LEU A 111 0.576 1.624 -8.088 1.00 0.00 C ATOM 1109 O LEU A 111 0.498 0.442 -8.428 1.00 0.00 O ATOM 1110 CB LEU A 111 0.273 2.091 -5.641 1.00 0.00 C ATOM 1111 CG LEU A 111 1.576 2.875 -5.457 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.308 4.374 -5.478 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.260 2.471 -4.158 1.00 0.00 C ATOM 0 H LEU A 111 -1.601 0.517 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.545 3.246 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.448 2.438 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.468 1.040 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 111 2.242 2.636 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.246 4.913 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.862 4.651 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.624 4.633 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.184 3.037 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.598 2.681 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.488 1.405 -4.183 1.00 0.00 H new ATOM 1125 N LEU A 112 1.468 2.469 -8.606 1.00 0.00 N ATOM 1126 CA LEU A 112 2.427 2.048 -9.626 1.00 0.00 C ATOM 1127 C LEU A 112 3.853 2.432 -9.232 1.00 0.00 C ATOM 1128 O LEU A 112 4.061 3.250 -8.337 1.00 0.00 O ATOM 1129 CB LEU A 112 2.068 2.659 -10.989 1.00 0.00 C ATOM 1130 CG LEU A 112 1.497 4.081 -10.942 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.969 4.889 -12.143 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.024 4.041 -10.885 1.00 0.00 C ATOM 0 H LEU A 112 1.546 3.449 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 112 2.377 0.962 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.962 2.665 -11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.342 2.010 -11.479 1.00 0.00 H new ATOM 0 HG LEU A 112 1.863 4.570 -10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.553 5.895 -12.091 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.058 4.946 -12.138 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.635 4.405 -13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.414 5.058 -10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.408 3.534 -11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.341 3.502 -9.992 1.00 0.00 H new ATOM 1144 N ASP A 113 4.831 1.829 -9.910 1.00 0.00 N ATOM 1145 CA ASP A 113 6.247 2.094 -9.640 1.00 0.00 C ATOM 1146 C ASP A 113 6.573 3.571 -9.828 1.00 0.00 C ATOM 1147 O ASP A 113 7.268 4.168 -9.002 1.00 0.00 O ATOM 1148 CB ASP A 113 7.133 1.244 -10.556 1.00 0.00 C ATOM 1149 CG ASP A 113 6.844 -0.239 -10.427 1.00 0.00 C ATOM 1150 OD1 ASP A 113 5.930 -0.729 -11.123 1.00 0.00 O ATOM 1151 OD2 ASP A 113 7.528 -0.911 -9.628 1.00 0.00 O ATOM 0 H ASP A 113 4.668 1.150 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 113 6.446 1.827 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.982 1.552 -11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.180 1.429 -10.318 1.00 0.00 H new ATOM 1156 N SER A 114 6.062 4.159 -10.910 1.00 0.00 N ATOM 1157 CA SER A 114 6.296 5.574 -11.189 1.00 0.00 C ATOM 1158 C SER A 114 5.740 6.445 -10.066 1.00 0.00 C ATOM 1159 O SER A 114 6.285 7.506 -9.774 1.00 0.00 O ATOM 1160 CB SER A 114 5.666 5.972 -12.528 1.00 0.00 C ATOM 1161 OG SER A 114 6.417 6.993 -13.163 1.00 0.00 O ATOM 0 H SER A 114 5.487 3.680 -11.603 1.00 0.00 H new ATOM 0 HA SER A 114 7.373 5.733 -11.250 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.609 5.100 -13.180 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.645 6.316 -12.365 1.00 0.00 H new ATOM 0 HG SER A 114 5.995 7.227 -14.016 1.00 0.00 H new ATOM 1167 N GLU A 115 4.663 5.984 -9.427 1.00 0.00 N ATOM 1168 CA GLU A 115 4.054 6.728 -8.325 1.00 0.00 C ATOM 1169 C GLU A 115 4.848 6.529 -7.033 1.00 0.00 C ATOM 1170 O GLU A 115 5.009 7.460 -6.244 1.00 0.00 O ATOM 1171 CB GLU A 115 2.601 6.294 -8.117 1.00 0.00 C ATOM 1172 CG GLU A 115 1.625 6.917 -9.107 1.00 0.00 C ATOM 1173 CD GLU A 115 1.608 8.436 -9.043 1.00 0.00 C ATOM 1174 OE1 GLU A 115 1.768 8.992 -7.935 1.00 0.00 O ATOM 1175 OE2 GLU A 115 1.434 9.070 -10.105 1.00 0.00 O ATOM 0 H GLU A 115 4.198 5.105 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 115 4.070 7.786 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.541 5.209 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.294 6.557 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.890 6.604 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.622 6.539 -8.908 1.00 0.00 H new ATOM 1182 N ILE A 116 5.348 5.310 -6.829 1.00 0.00 N ATOM 1183 CA ILE A 116 6.134 4.988 -5.644 1.00 0.00 C ATOM 1184 C ILE A 116 7.429 5.790 -5.645 1.00 0.00 C ATOM 1185 O ILE A 116 7.702 6.543 -4.708 1.00 0.00 O ATOM 1186 CB ILE A 116 6.459 3.477 -5.556 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.170 2.651 -5.531 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.299 3.181 -4.323 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.333 1.258 -6.100 1.00 0.00 C ATOM 0 H ILE A 116 5.221 4.529 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 116 5.534 5.251 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 116 7.033 3.199 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.816 2.576 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.400 3.177 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.517 2.114 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.233 3.740 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.750 3.476 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.380 0.731 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.657 1.325 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.080 0.714 -5.522 1.00 0.00 H new ATOM 1201 N ALA A 117 8.212 5.645 -6.717 1.00 0.00 N ATOM 1202 CA ALA A 117 9.466 6.380 -6.855 1.00 0.00 C ATOM 1203 C ALA A 117 9.219 7.872 -6.676 1.00 0.00 C ATOM 1204 O ALA A 117 10.010 8.573 -6.045 1.00 0.00 O ATOM 1205 CB ALA A 117 10.097 6.109 -8.214 1.00 0.00 C ATOM 0 H ALA A 117 7.998 5.026 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 117 10.155 6.041 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 117 11.031 6.665 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.299 5.043 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.413 6.425 -9.002 1.00 0.00 H new ATOM 1211 N LYS A 118 8.105 8.344 -7.237 1.00 0.00 N ATOM 1212 CA LYS A 118 7.731 9.749 -7.142 1.00 0.00 C ATOM 1213 C LYS A 118 7.473 10.153 -5.701 1.00 0.00 C ATOM 1214 O LYS A 118 8.050 11.125 -5.212 1.00 0.00 O ATOM 1215 CB LYS A 118 6.493 10.035 -7.981 1.00 0.00 C ATOM 1216 CG LYS A 118 6.655 11.264 -8.840 1.00 0.00 C ATOM 1217 CD LYS A 118 6.733 10.898 -10.316 1.00 0.00 C ATOM 1218 CE LYS A 118 6.563 12.119 -11.213 1.00 0.00 C ATOM 1219 NZ LYS A 118 7.662 13.109 -11.028 1.00 0.00 N ATOM 0 H LYS A 118 7.447 7.769 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 118 8.566 10.336 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.281 9.175 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.633 10.165 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.816 11.940 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.558 11.799 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.694 10.426 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.961 10.165 -10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.534 11.801 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.607 12.596 -10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.524 13.907 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.653 13.458 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.576 12.654 -11.225 1.00 0.00 H new ATOM 1233 N PHE A 119 6.605 9.406 -5.024 1.00 0.00 N ATOM 1234 CA PHE A 119 6.278 9.692 -3.624 1.00 0.00 C ATOM 1235 C PHE A 119 7.553 9.897 -2.816 1.00 0.00 C ATOM 1236 O PHE A 119 7.668 10.853 -2.049 1.00 0.00 O ATOM 1237 CB PHE A 119 5.451 8.546 -3.024 1.00 0.00 C ATOM 1238 CG PHE A 119 5.320 8.592 -1.522 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.356 8.160 -0.705 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.152 9.048 -0.929 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.232 8.186 0.670 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.024 9.074 0.449 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.066 8.643 1.246 1.00 0.00 C ATOM 0 H PHE A 119 6.116 8.602 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 119 5.687 10.607 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.454 8.565 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 119 5.907 7.598 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.271 7.799 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.334 9.386 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.047 7.849 1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.110 9.431 0.900 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.967 8.664 2.321 1.00 0.00 H new ATOM 1253 N LEU A 120 8.512 8.996 -3.007 1.00 0.00 N ATOM 1254 CA LEU A 120 9.786 9.079 -2.309 1.00 0.00 C ATOM 1255 C LEU A 120 10.570 10.306 -2.763 1.00 0.00 C ATOM 1256 O LEU A 120 11.271 10.935 -1.967 1.00 0.00 O ATOM 1257 CB LEU A 120 10.608 7.819 -2.553 1.00 0.00 C ATOM 1258 CG LEU A 120 10.000 6.537 -1.980 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.155 5.385 -2.964 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.645 6.194 -0.647 1.00 0.00 C ATOM 0 H LEU A 120 8.429 8.201 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 120 9.584 9.169 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.743 7.692 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.599 7.959 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 120 8.936 6.703 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.717 4.482 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.646 5.631 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.213 5.216 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.201 5.280 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.716 6.046 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.481 7.010 0.057 1.00 0.00 H new ATOM 1272 N GLY A 121 10.437 10.651 -4.049 1.00 0.00 N ATOM 1273 CA GLY A 121 11.129 11.808 -4.581 1.00 0.00 C ATOM 1274 C GLY A 121 10.320 13.090 -4.446 1.00 0.00 C ATOM 1275 O GLY A 121 10.601 14.076 -5.130 1.00 0.00 O ATOM 0 H GLY A 121 9.863 10.147 -4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.080 11.927 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.358 11.637 -5.633 1.00 0.00 H new ATOM 1369 N SER A 127 9.343 11.781 5.570 1.00 0.00 N ATOM 1370 CA SER A 127 9.698 11.261 6.890 1.00 0.00 C ATOM 1371 C SER A 127 10.395 9.908 6.760 1.00 0.00 C ATOM 1372 O SER A 127 10.169 9.180 5.793 1.00 0.00 O ATOM 1373 CB SER A 127 8.453 11.146 7.778 1.00 0.00 C ATOM 1374 OG SER A 127 7.735 9.955 7.515 1.00 0.00 O ATOM 0 HA SER A 127 10.389 11.960 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.750 11.169 8.827 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.805 12.007 7.611 1.00 0.00 H new ATOM 0 HG SER A 127 6.932 9.927 8.075 1.00 0.00 H new ATOM 1380 N LYS A 128 11.242 9.576 7.731 1.00 0.00 N ATOM 1381 CA LYS A 128 11.973 8.308 7.716 1.00 0.00 C ATOM 1382 C LYS A 128 11.008 7.130 7.629 1.00 0.00 C ATOM 1383 O LYS A 128 11.200 6.221 6.818 1.00 0.00 O ATOM 1384 CB LYS A 128 12.856 8.175 8.963 1.00 0.00 C ATOM 1385 CG LYS A 128 14.065 7.271 8.763 1.00 0.00 C ATOM 1386 CD LYS A 128 15.373 8.041 8.900 1.00 0.00 C ATOM 1387 CE LYS A 128 16.428 7.238 9.650 1.00 0.00 C ATOM 1388 NZ LYS A 128 15.943 6.772 10.983 1.00 0.00 N ATOM 0 H LYS A 128 11.440 10.166 8.539 1.00 0.00 H new ATOM 0 HA LYS A 128 12.613 8.300 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.199 9.165 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.254 7.785 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.040 6.463 9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.016 6.810 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.748 8.298 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.189 8.979 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.720 6.376 9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.320 7.850 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.734 6.766 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.201 7.414 11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 15.556 5.811 10.895 1.00 0.00 H new ATOM 1402 N GLU A 129 9.965 7.159 8.458 1.00 0.00 N ATOM 1403 CA GLU A 129 8.963 6.098 8.471 1.00 0.00 C ATOM 1404 C GLU A 129 8.207 6.039 7.143 1.00 0.00 C ATOM 1405 O GLU A 129 7.835 4.959 6.687 1.00 0.00 O ATOM 1406 CB GLU A 129 7.973 6.298 9.625 1.00 0.00 C ATOM 1407 CG GLU A 129 7.268 7.648 9.607 1.00 0.00 C ATOM 1408 CD GLU A 129 7.103 8.243 10.991 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.374 7.645 11.812 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.703 9.305 11.256 1.00 0.00 O ATOM 0 H GLU A 129 9.793 7.907 9.129 1.00 0.00 H new ATOM 0 HA GLU A 129 9.486 5.153 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.224 5.507 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.505 6.190 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.834 8.340 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.287 7.534 9.146 1.00 0.00 H new ATOM 1417 N LEU A 130 7.978 7.203 6.527 1.00 0.00 N ATOM 1418 CA LEU A 130 7.257 7.255 5.252 1.00 0.00 C ATOM 1419 C LEU A 130 8.153 6.836 4.090 1.00 0.00 C ATOM 1420 O LEU A 130 7.754 6.022 3.259 1.00 0.00 O ATOM 1421 CB LEU A 130 6.684 8.655 4.994 1.00 0.00 C ATOM 1422 CG LEU A 130 5.305 8.922 5.610 1.00 0.00 C ATOM 1423 CD1 LEU A 130 5.155 10.393 5.977 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.197 8.497 4.653 1.00 0.00 C ATOM 0 H LEU A 130 8.277 8.110 6.885 1.00 0.00 H new ATOM 0 HA LEU A 130 6.430 6.549 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.386 9.394 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.619 8.810 3.917 1.00 0.00 H new ATOM 0 HG LEU A 130 5.220 8.330 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 130 4.170 10.561 6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.923 10.668 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.265 11.004 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.227 8.695 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.283 9.060 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.288 7.432 4.441 1.00 0.00 H new ATOM 1436 N ILE A 131 9.364 7.391 4.030 1.00 0.00 N ATOM 1437 CA ILE A 131 10.294 7.054 2.956 1.00 0.00 C ATOM 1438 C ILE A 131 10.609 5.563 2.960 1.00 0.00 C ATOM 1439 O ILE A 131 10.437 4.885 1.949 1.00 0.00 O ATOM 1440 CB ILE A 131 11.617 7.844 3.049 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.350 9.352 3.065 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.521 7.474 1.881 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.341 10.138 3.899 1.00 0.00 C ATOM 0 H ILE A 131 9.720 8.068 4.705 1.00 0.00 H new ATOM 0 HA ILE A 131 9.797 7.329 2.026 1.00 0.00 H new ATOM 0 HB ILE A 131 12.117 7.582 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.372 9.727 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.345 9.530 3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.453 8.034 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.736 6.406 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.021 7.717 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.088 11.198 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.303 9.791 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.346 9.991 3.504 1.00 0.00 H new ATOM 1455 N GLU A 132 11.060 5.055 4.108 1.00 0.00 N ATOM 1456 CA GLU A 132 11.383 3.637 4.236 1.00 0.00 C ATOM 1457 C GLU A 132 10.192 2.780 3.815 1.00 0.00 C ATOM 1458 O GLU A 132 10.360 1.663 3.326 1.00 0.00 O ATOM 1459 CB GLU A 132 11.784 3.305 5.673 1.00 0.00 C ATOM 1460 CG GLU A 132 12.970 2.358 5.768 1.00 0.00 C ATOM 1461 CD GLU A 132 12.909 1.457 6.989 1.00 0.00 C ATOM 1462 OE1 GLU A 132 12.363 1.891 8.026 1.00 0.00 O ATOM 1463 OE2 GLU A 132 13.410 0.316 6.906 1.00 0.00 O ATOM 0 H GLU A 132 11.208 5.602 4.956 1.00 0.00 H new ATOM 0 HA GLU A 132 12.225 3.418 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.025 4.230 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.932 2.860 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.010 1.742 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.892 2.939 5.797 1.00 0.00 H new ATOM 1470 N ALA A 133 8.985 3.320 4.004 1.00 0.00 N ATOM 1471 CA ALA A 133 7.763 2.617 3.638 1.00 0.00 C ATOM 1472 C ALA A 133 7.675 2.416 2.136 1.00 0.00 C ATOM 1473 O ALA A 133 7.553 1.287 1.661 1.00 0.00 O ATOM 1474 CB ALA A 133 6.545 3.379 4.131 1.00 0.00 C ATOM 0 H ALA A 133 8.833 4.244 4.409 1.00 0.00 H new ATOM 0 HA ALA A 133 7.787 1.637 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.640 2.840 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.589 3.472 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.531 4.372 3.682 1.00 0.00 H new ATOM 1480 N TYR A 134 7.734 3.515 1.395 1.00 0.00 N ATOM 1481 CA TYR A 134 7.659 3.447 -0.060 1.00 0.00 C ATOM 1482 C TYR A 134 8.889 2.749 -0.631 1.00 0.00 C ATOM 1483 O TYR A 134 8.802 2.050 -1.641 1.00 0.00 O ATOM 1484 CB TYR A 134 7.498 4.842 -0.663 1.00 0.00 C ATOM 1485 CG TYR A 134 6.065 5.184 -1.005 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.119 5.390 -0.008 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.659 5.311 -2.327 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.811 5.710 -0.319 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.354 5.633 -2.645 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.435 5.833 -1.639 1.00 0.00 C ATOM 1491 OH TYR A 134 2.139 6.164 -1.955 1.00 0.00 O ATOM 0 H TYR A 134 7.833 4.457 1.773 1.00 0.00 H new ATOM 0 HA TYR A 134 6.780 2.861 -0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.883 5.581 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.106 4.913 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.411 5.298 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.376 5.155 -3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.088 5.863 0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 134 4.055 5.728 -3.679 1.00 0.00 H new ATOM 0 HH TYR A 134 2.042 6.211 -2.929 1.00 0.00 H new ATOM 1501 N GLU A 135 10.031 2.922 0.033 1.00 0.00 N ATOM 1502 CA GLU A 135 11.268 2.280 -0.401 1.00 0.00 C ATOM 1503 C GLU A 135 11.180 0.769 -0.198 1.00 0.00 C ATOM 1504 O GLU A 135 11.774 -0.003 -0.952 1.00 0.00 O ATOM 1505 CB GLU A 135 12.467 2.840 0.366 1.00 0.00 C ATOM 1506 CG GLU A 135 13.676 3.119 -0.512 1.00 0.00 C ATOM 1507 CD GLU A 135 14.987 3.044 0.249 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.092 3.684 1.318 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.909 2.350 -0.227 1.00 0.00 O ATOM 0 H GLU A 135 10.124 3.499 0.869 1.00 0.00 H new ATOM 0 HA GLU A 135 11.406 2.489 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.170 3.763 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.751 2.134 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.696 2.402 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.576 4.109 -0.956 1.00 0.00 H new ATOM 1516 N ALA A 136 10.423 0.355 0.822 1.00 0.00 N ATOM 1517 CA ALA A 136 10.242 -1.062 1.119 1.00 0.00 C ATOM 1518 C ALA A 136 9.182 -1.676 0.209 1.00 0.00 C ATOM 1519 O ALA A 136 9.230 -2.869 -0.096 1.00 0.00 O ATOM 1520 CB ALA A 136 9.866 -1.252 2.580 1.00 0.00 C ATOM 0 H ALA A 136 9.927 0.984 1.454 1.00 0.00 H new ATOM 0 HA ALA A 136 11.186 -1.574 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.734 -2.314 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.658 -0.854 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.935 -0.724 2.788 1.00 0.00 H new ATOM 1526 N SER A 137 8.229 -0.849 -0.227 1.00 0.00 N ATOM 1527 CA SER A 137 7.158 -1.299 -1.114 1.00 0.00 C ATOM 1528 C SER A 137 7.639 -1.397 -2.567 1.00 0.00 C ATOM 1529 O SER A 137 7.027 -2.089 -3.382 1.00 0.00 O ATOM 1530 CB SER A 137 5.959 -0.351 -1.026 1.00 0.00 C ATOM 1531 OG SER A 137 6.167 0.817 -1.803 1.00 0.00 O ATOM 0 H SER A 137 8.179 0.139 0.022 1.00 0.00 H new ATOM 0 HA SER A 137 6.855 -2.294 -0.788 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.061 -0.864 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.788 -0.073 0.014 1.00 0.00 H new ATOM 0 HG SER A 137 7.082 1.141 -1.668 1.00 0.00 H new ATOM 1537 N LYS A 138 8.735 -0.697 -2.883 1.00 0.00 N ATOM 1538 CA LYS A 138 9.296 -0.702 -4.238 1.00 0.00 C ATOM 1539 C LYS A 138 9.604 -2.126 -4.717 1.00 0.00 C ATOM 1540 O LYS A 138 9.634 -2.381 -5.921 1.00 0.00 O ATOM 1541 CB LYS A 138 10.573 0.144 -4.291 1.00 0.00 C ATOM 1542 CG LYS A 138 10.325 1.616 -4.585 1.00 0.00 C ATOM 1543 CD LYS A 138 9.866 1.834 -6.023 1.00 0.00 C ATOM 1544 CE LYS A 138 10.827 2.719 -6.809 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.356 3.851 -5.995 1.00 0.00 N ATOM 0 H LYS A 138 9.251 -0.120 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 138 8.546 -0.272 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 138 11.095 0.057 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.235 -0.263 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.570 2.002 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.239 2.182 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.773 0.870 -6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 138 8.876 2.289 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 138 11.660 2.115 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 138 10.316 3.115 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.637 4.630 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 10.618 4.183 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.182 3.531 -5.450 1.00 0.00 H new ATOM 1559 N THR A 139 9.828 -3.042 -3.767 1.00 0.00 N ATOM 1560 CA THR A 139 10.132 -4.445 -4.076 1.00 0.00 C ATOM 1561 C THR A 139 9.308 -4.960 -5.257 1.00 0.00 C ATOM 1562 O THR A 139 8.121 -5.263 -5.110 1.00 0.00 O ATOM 1563 CB THR A 139 9.871 -5.326 -2.849 1.00 0.00 C ATOM 1564 OG1 THR A 139 8.808 -4.804 -2.069 1.00 0.00 O ATOM 1565 CG2 THR A 139 11.077 -5.472 -1.946 1.00 0.00 C ATOM 0 H THR A 139 9.804 -2.834 -2.769 1.00 0.00 H new ATOM 0 HA THR A 139 11.186 -4.496 -4.350 1.00 0.00 H new ATOM 0 HB THR A 139 9.619 -6.308 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 139 9.164 -4.167 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 139 10.822 -6.108 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 139 11.897 -5.924 -2.504 1.00 0.00 H new ATOM 0 HG23 THR A 139 11.382 -4.490 -1.584 1.00 0.00 H new