USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= 0.189 (180deg=0.112) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= -0.111 (180deg=-0.174) USER MOD Single : A 99 ASN : amide:sc= -1.99 K(o=-2,f=-9.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -2.3! C(o=-2.3!,f=-9!) USER MOD Single : A 109 LYS NZ :NH3+ -128:sc= 0.884 (180deg=0.00621) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 177:sc= -2.93! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.17! USER MOD Single : A 137 SER OG : rot -43:sc= 0.702 USER MOD Single : A 138 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00173) USER MOD Single : A 139 THR OG1 : rot 89:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.693 -6.313 -8.262 1.00 0.00 N ATOM 92 CA ASN A 51 -4.625 -7.728 -8.627 1.00 0.00 C ATOM 93 C ASN A 51 -3.636 -8.481 -7.734 1.00 0.00 C ATOM 94 O ASN A 51 -2.970 -7.882 -6.886 1.00 0.00 O ATOM 95 CB ASN A 51 -4.226 -7.879 -10.100 1.00 0.00 C ATOM 96 CG ASN A 51 -5.394 -8.302 -10.972 1.00 0.00 C ATOM 97 OD1 ASN A 51 -5.945 -7.498 -11.722 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.779 -9.572 -10.877 1.00 0.00 N ATOM 0 HA ASN A 51 -5.614 -8.162 -8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.827 -6.933 -10.465 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.427 -8.616 -10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.559 -9.912 -11.439 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.294 -10.206 -10.242 1.00 0.00 H new ATOM 105 N PHE A 52 -3.544 -9.798 -7.930 1.00 0.00 N ATOM 106 CA PHE A 52 -2.636 -10.629 -7.143 1.00 0.00 C ATOM 107 C PHE A 52 -1.185 -10.322 -7.497 1.00 0.00 C ATOM 108 O PHE A 52 -0.802 -10.355 -8.668 1.00 0.00 O ATOM 109 CB PHE A 52 -2.926 -12.117 -7.368 1.00 0.00 C ATOM 110 CG PHE A 52 -4.352 -12.508 -7.086 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.993 -12.074 -5.935 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.051 -13.311 -7.974 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.301 -12.431 -5.677 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.359 -13.672 -7.719 1.00 0.00 C ATOM 115 CZ PHE A 52 -6.986 -13.231 -6.570 1.00 0.00 C ATOM 0 H PHE A 52 -4.087 -10.309 -8.626 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.798 -10.399 -6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.687 -12.372 -8.400 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.265 -12.706 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.462 -11.449 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.567 -13.658 -8.875 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.788 -12.085 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.892 -14.299 -8.418 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.010 -13.511 -6.370 1.00 0.00 H new ATOM 125 N GLY A 53 -0.384 -10.022 -6.479 1.00 0.00 N ATOM 126 CA GLY A 53 1.015 -9.710 -6.699 1.00 0.00 C ATOM 127 C GLY A 53 1.214 -8.326 -7.283 1.00 0.00 C ATOM 128 O GLY A 53 1.974 -8.149 -8.238 1.00 0.00 O ATOM 0 H GLY A 53 -0.681 -9.990 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.554 -9.783 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.448 -10.451 -7.371 1.00 0.00 H new ATOM 132 N ASP A 54 0.531 -7.338 -6.709 1.00 0.00 N ATOM 133 CA ASP A 54 0.635 -5.968 -7.173 1.00 0.00 C ATOM 134 C ASP A 54 0.862 -5.021 -6.001 1.00 0.00 C ATOM 135 O ASP A 54 0.790 -5.422 -4.840 1.00 0.00 O ATOM 136 CB ASP A 54 -0.632 -5.571 -7.942 1.00 0.00 C ATOM 137 CG ASP A 54 -0.493 -5.790 -9.436 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.171 -6.923 -9.844 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.712 -4.828 -10.199 1.00 0.00 O ATOM 0 H ASP A 54 -0.101 -7.468 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 54 1.490 -5.894 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.477 -6.151 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.856 -4.522 -7.751 1.00 0.00 H new ATOM 144 N ARG A 55 1.131 -3.764 -6.319 1.00 0.00 N ATOM 145 CA ARG A 55 1.367 -2.739 -5.305 1.00 0.00 C ATOM 146 C ARG A 55 0.166 -1.801 -5.213 1.00 0.00 C ATOM 147 O ARG A 55 -0.259 -1.232 -6.219 1.00 0.00 O ATOM 148 CB ARG A 55 2.633 -1.936 -5.628 1.00 0.00 C ATOM 149 CG ARG A 55 3.853 -2.794 -5.936 1.00 0.00 C ATOM 150 CD ARG A 55 5.145 -2.017 -5.718 1.00 0.00 C ATOM 151 NE ARG A 55 6.123 -2.256 -6.777 1.00 0.00 N ATOM 152 CZ ARG A 55 6.893 -3.346 -6.855 1.00 0.00 C ATOM 153 NH1 ARG A 55 6.826 -4.285 -5.914 1.00 0.00 N ATOM 154 NH2 ARG A 55 7.736 -3.491 -7.870 1.00 0.00 N ATOM 0 H ARG A 55 1.192 -3.424 -7.279 1.00 0.00 H new ATOM 0 HA ARG A 55 1.507 -3.235 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.432 -1.290 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.863 -1.286 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.847 -3.680 -5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.805 -3.142 -6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.921 -0.951 -5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.577 -2.298 -4.758 1.00 0.00 H new ATOM 0 HE ARG A 55 6.225 -1.546 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.185 -4.175 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.416 -5.115 -5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.796 -2.771 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.324 -4.322 -7.930 1.00 0.00 H new ATOM 168 N ILE A 56 -0.381 -1.653 -4.009 1.00 0.00 N ATOM 169 CA ILE A 56 -1.542 -0.788 -3.796 1.00 0.00 C ATOM 170 C ILE A 56 -1.413 0.015 -2.501 1.00 0.00 C ATOM 171 O ILE A 56 -0.732 -0.402 -1.564 1.00 0.00 O ATOM 172 CB ILE A 56 -2.855 -1.599 -3.760 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.813 -2.645 -2.641 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.108 -2.267 -5.107 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.114 -3.399 -2.472 1.00 0.00 C ATOM 0 H ILE A 56 -0.041 -2.119 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.574 -0.099 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.676 -0.912 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.014 -3.357 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.563 -2.151 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.038 -2.834 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.184 -1.505 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.283 -2.940 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.013 -4.123 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.913 -2.697 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.355 -3.921 -3.398 1.00 0.00 H new ATOM 187 N LEU A 57 -2.080 1.168 -2.458 1.00 0.00 N ATOM 188 CA LEU A 57 -2.046 2.032 -1.280 1.00 0.00 C ATOM 189 C LEU A 57 -3.231 1.751 -0.362 1.00 0.00 C ATOM 190 O LEU A 57 -4.337 1.479 -0.830 1.00 0.00 O ATOM 191 CB LEU A 57 -2.045 3.504 -1.696 1.00 0.00 C ATOM 192 CG LEU A 57 -0.991 4.365 -1.001 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.407 3.870 -1.343 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.154 5.828 -1.385 1.00 0.00 C ATOM 0 H LEU A 57 -2.650 1.525 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.128 1.818 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.889 3.563 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.030 3.925 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.132 4.281 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.147 4.493 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.518 2.837 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.559 3.925 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.394 6.424 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.041 5.936 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.144 6.174 -1.087 1.00 0.00 H new ATOM 206 N VAL A 58 -2.992 1.817 0.945 1.00 0.00 N ATOM 207 CA VAL A 58 -4.038 1.567 1.933 1.00 0.00 C ATOM 208 C VAL A 58 -4.089 2.679 2.978 1.00 0.00 C ATOM 209 O VAL A 58 -3.057 3.085 3.515 1.00 0.00 O ATOM 210 CB VAL A 58 -3.822 0.217 2.648 1.00 0.00 C ATOM 211 CG1 VAL A 58 -4.975 -0.083 3.596 1.00 0.00 C ATOM 212 CG2 VAL A 58 -3.649 -0.907 1.637 1.00 0.00 C ATOM 0 H VAL A 58 -2.081 2.042 1.345 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.984 1.539 1.391 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.908 0.288 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.801 -1.040 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.044 0.705 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.907 -0.129 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.498 -1.850 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.541 -0.977 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.783 -0.700 1.008 1.00 0.00 H new ATOM 222 N LYS A 59 -5.299 3.160 3.269 1.00 0.00 N ATOM 223 CA LYS A 59 -5.485 4.217 4.259 1.00 0.00 C ATOM 224 C LYS A 59 -6.141 3.665 5.523 1.00 0.00 C ATOM 225 O LYS A 59 -7.190 3.021 5.461 1.00 0.00 O ATOM 226 CB LYS A 59 -6.330 5.358 3.684 1.00 0.00 C ATOM 227 CG LYS A 59 -7.705 4.928 3.196 1.00 0.00 C ATOM 228 CD LYS A 59 -8.804 5.729 3.872 1.00 0.00 C ATOM 229 CE LYS A 59 -9.901 6.112 2.892 1.00 0.00 C ATOM 230 NZ LYS A 59 -11.255 6.039 3.511 1.00 0.00 N ATOM 0 H LYS A 59 -6.162 2.834 2.833 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.502 4.609 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.451 6.126 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.789 5.815 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.768 5.059 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.849 3.866 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.231 5.145 4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.379 6.630 4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.724 7.124 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.862 5.450 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.973 6.308 2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.436 5.068 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.302 6.690 4.321 1.00 0.00 H new ATOM 244 N ALA A 60 -5.515 3.921 6.669 1.00 0.00 N ATOM 245 CA ALA A 60 -6.037 3.454 7.950 1.00 0.00 C ATOM 246 C ALA A 60 -7.000 4.475 8.549 1.00 0.00 C ATOM 247 O ALA A 60 -6.910 5.668 8.254 1.00 0.00 O ATOM 248 CB ALA A 60 -4.895 3.167 8.914 1.00 0.00 C ATOM 0 H ALA A 60 -4.645 4.450 6.736 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.588 2.529 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.300 2.820 9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.248 2.398 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.318 4.078 9.076 1.00 0.00 H new ATOM 254 N PRO A 61 -7.943 4.021 9.403 1.00 0.00 N ATOM 255 CA PRO A 61 -8.926 4.904 10.044 1.00 0.00 C ATOM 256 C PRO A 61 -8.270 6.081 10.762 1.00 0.00 C ATOM 257 O PRO A 61 -7.797 5.947 11.893 1.00 0.00 O ATOM 258 CB PRO A 61 -9.631 3.985 11.046 1.00 0.00 C ATOM 259 CG PRO A 61 -9.462 2.616 10.486 1.00 0.00 C ATOM 260 CD PRO A 61 -8.122 2.612 9.807 1.00 0.00 C ATOM 0 HA PRO A 61 -9.600 5.358 9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.186 4.065 12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.685 4.244 11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.503 1.864 11.274 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.259 2.382 9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.331 2.283 10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.108 1.942 8.947 1.00 0.00 H new ATOM 268 N GLY A 62 -8.236 7.233 10.091 1.00 0.00 N ATOM 269 CA GLY A 62 -7.632 8.420 10.670 1.00 0.00 C ATOM 270 C GLY A 62 -6.185 8.624 10.237 1.00 0.00 C ATOM 271 O GLY A 62 -5.696 9.756 10.225 1.00 0.00 O ATOM 0 H GLY A 62 -8.618 7.363 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.217 9.294 10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.674 8.349 11.757 1.00 0.00 H new ATOM 275 N TYR A 63 -5.498 7.535 9.891 1.00 0.00 N ATOM 276 CA TYR A 63 -4.102 7.609 9.467 1.00 0.00 C ATOM 277 C TYR A 63 -3.989 7.714 7.943 1.00 0.00 C ATOM 278 O TYR A 63 -4.845 7.212 7.213 1.00 0.00 O ATOM 279 CB TYR A 63 -3.328 6.382 9.964 1.00 0.00 C ATOM 280 CG TYR A 63 -3.576 6.041 11.423 1.00 0.00 C ATOM 281 CD1 TYR A 63 -3.697 7.037 12.386 1.00 0.00 C ATOM 282 CD2 TYR A 63 -3.689 4.717 11.833 1.00 0.00 C ATOM 283 CE1 TYR A 63 -3.922 6.723 13.712 1.00 0.00 C ATOM 284 CE2 TYR A 63 -3.914 4.396 13.159 1.00 0.00 C ATOM 285 CZ TYR A 63 -4.030 5.402 14.094 1.00 0.00 C ATOM 286 OH TYR A 63 -4.253 5.084 15.414 1.00 0.00 O ATOM 0 H TYR A 63 -5.887 6.592 9.896 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.668 8.508 9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.598 5.523 9.350 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.262 6.555 9.819 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.614 8.073 12.092 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.599 3.926 11.103 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.013 7.509 14.447 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.998 3.362 13.460 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.304 4.110 15.512 1.00 0.00 H new ATOM 296 N PRO A 64 -2.923 8.382 7.446 1.00 0.00 N ATOM 297 CA PRO A 64 -2.693 8.564 6.002 1.00 0.00 C ATOM 298 C PRO A 64 -2.561 7.237 5.247 1.00 0.00 C ATOM 299 O PRO A 64 -2.801 6.164 5.805 1.00 0.00 O ATOM 300 CB PRO A 64 -1.373 9.348 5.942 1.00 0.00 C ATOM 301 CG PRO A 64 -1.243 9.983 7.284 1.00 0.00 C ATOM 302 CD PRO A 64 -1.865 9.019 8.250 1.00 0.00 C ATOM 0 HA PRO A 64 -3.531 9.073 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.531 8.688 5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.394 10.097 5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.197 10.165 7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.750 10.947 7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.142 8.290 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.273 9.529 9.123 1.00 0.00 H new ATOM 310 N TRP A 65 -2.186 7.322 3.969 1.00 0.00 N ATOM 311 CA TRP A 65 -2.032 6.137 3.125 1.00 0.00 C ATOM 312 C TRP A 65 -0.621 5.558 3.226 1.00 0.00 C ATOM 313 O TRP A 65 0.365 6.296 3.212 1.00 0.00 O ATOM 314 CB TRP A 65 -2.343 6.474 1.663 1.00 0.00 C ATOM 315 CG TRP A 65 -3.725 7.013 1.450 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.207 8.221 1.867 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.804 6.363 0.768 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.518 8.361 1.487 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.909 7.233 0.813 1.00 0.00 C ATOM 320 CE3 TRP A 65 -4.944 5.128 0.127 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.135 6.911 0.239 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.163 4.810 -0.443 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.244 5.696 -0.382 1.00 0.00 C ATOM 0 H TRP A 65 -1.983 8.202 3.495 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.739 5.388 3.483 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.618 7.206 1.306 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.215 5.577 1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.639 8.958 2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.106 9.173 1.675 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.116 4.436 0.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.970 7.595 0.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.283 3.861 -0.944 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.184 5.416 -0.834 1.00 0.00 H new ATOM 334 N TRP A 66 -0.536 4.232 3.318 1.00 0.00 N ATOM 335 CA TRP A 66 0.750 3.545 3.409 1.00 0.00 C ATOM 336 C TRP A 66 0.932 2.578 2.238 1.00 0.00 C ATOM 337 O TRP A 66 -0.019 1.911 1.824 1.00 0.00 O ATOM 338 CB TRP A 66 0.863 2.783 4.732 1.00 0.00 C ATOM 339 CG TRP A 66 2.281 2.604 5.178 1.00 0.00 C ATOM 340 CD1 TRP A 66 3.021 1.459 5.115 1.00 0.00 C ATOM 341 CD2 TRP A 66 3.133 3.606 5.738 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.285 1.690 5.602 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.377 2.999 5.994 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.969 4.959 6.048 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.445 3.698 6.543 1.00 0.00 C ATOM 346 CZ3 TRP A 66 4.033 5.650 6.592 1.00 0.00 C ATOM 347 CH2 TRP A 66 5.258 5.018 6.834 1.00 0.00 C ATOM 0 H TRP A 66 -1.345 3.611 3.331 1.00 0.00 H new ATOM 0 HA TRP A 66 1.536 4.299 3.368 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.309 3.318 5.503 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.394 1.805 4.624 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.666 0.511 4.738 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.033 0.999 5.662 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.027 5.455 5.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.391 3.213 6.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.918 6.696 6.835 1.00 0.00 H new ATOM 0 HH2 TRP A 66 6.072 5.586 7.260 1.00 0.00 H new ATOM 358 N PRO A 67 2.159 2.490 1.684 1.00 0.00 N ATOM 359 CA PRO A 67 2.455 1.600 0.554 1.00 0.00 C ATOM 360 C PRO A 67 2.419 0.121 0.943 1.00 0.00 C ATOM 361 O PRO A 67 3.240 -0.346 1.736 1.00 0.00 O ATOM 362 CB PRO A 67 3.867 2.015 0.137 1.00 0.00 C ATOM 363 CG PRO A 67 4.475 2.576 1.375 1.00 0.00 C ATOM 364 CD PRO A 67 3.351 3.250 2.111 1.00 0.00 C ATOM 0 HA PRO A 67 1.716 1.695 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.437 1.163 -0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.843 2.755 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.924 1.790 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.267 3.285 1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.492 3.203 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.272 4.304 1.846 1.00 0.00 H new ATOM 372 N ALA A 68 1.461 -0.609 0.373 1.00 0.00 N ATOM 373 CA ALA A 68 1.305 -2.038 0.638 1.00 0.00 C ATOM 374 C ALA A 68 1.267 -2.820 -0.674 1.00 0.00 C ATOM 375 O ALA A 68 1.237 -2.232 -1.757 1.00 0.00 O ATOM 376 CB ALA A 68 0.042 -2.287 1.454 1.00 0.00 C ATOM 0 H ALA A 68 0.776 -0.230 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 68 2.161 -2.385 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.063 -3.355 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.110 -1.754 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.826 -1.930 0.899 1.00 0.00 H new ATOM 382 N LEU A 69 1.272 -4.146 -0.578 1.00 0.00 N ATOM 383 CA LEU A 69 1.237 -4.994 -1.767 1.00 0.00 C ATOM 384 C LEU A 69 0.132 -6.043 -1.656 1.00 0.00 C ATOM 385 O LEU A 69 0.115 -6.841 -0.717 1.00 0.00 O ATOM 386 CB LEU A 69 2.596 -5.669 -1.976 1.00 0.00 C ATOM 387 CG LEU A 69 3.416 -5.127 -3.153 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.348 -4.012 -2.694 1.00 0.00 C ATOM 389 CD2 LEU A 69 4.203 -6.245 -3.819 1.00 0.00 C ATOM 0 H LEU A 69 1.300 -4.655 0.305 1.00 0.00 H new ATOM 0 HA LEU A 69 1.021 -4.365 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.183 -5.560 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.435 -6.737 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 69 2.725 -4.712 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.920 -3.642 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.760 -3.198 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.032 -4.397 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.778 -5.839 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.882 -6.694 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.514 -7.004 -4.190 1.00 0.00 H new ATOM 401 N LEU A 70 -0.792 -6.031 -2.617 1.00 0.00 N ATOM 402 CA LEU A 70 -1.909 -6.975 -2.627 1.00 0.00 C ATOM 403 C LEU A 70 -1.432 -8.402 -2.880 1.00 0.00 C ATOM 404 O LEU A 70 -0.718 -8.666 -3.848 1.00 0.00 O ATOM 405 CB LEU A 70 -2.938 -6.582 -3.691 1.00 0.00 C ATOM 406 CG LEU A 70 -4.399 -6.814 -3.296 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.327 -5.999 -4.184 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.748 -8.296 -3.373 1.00 0.00 C ATOM 0 H LEU A 70 -0.789 -5.377 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.375 -6.937 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.805 -5.527 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.730 -7.144 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.532 -6.485 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.361 -6.176 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.096 -4.939 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.190 -6.297 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.790 -8.440 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.597 -8.653 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.106 -8.857 -2.694 1.00 0.00 H new ATOM 420 N LEU A 71 -1.841 -9.318 -2.006 1.00 0.00 N ATOM 421 CA LEU A 71 -1.472 -10.723 -2.127 1.00 0.00 C ATOM 422 C LEU A 71 -2.660 -11.549 -2.628 1.00 0.00 C ATOM 423 O LEU A 71 -2.542 -12.283 -3.611 1.00 0.00 O ATOM 424 CB LEU A 71 -0.964 -11.253 -0.778 1.00 0.00 C ATOM 425 CG LEU A 71 -1.128 -12.758 -0.551 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.364 -13.549 -1.603 1.00 0.00 C ATOM 427 CD2 LEU A 71 -0.661 -13.136 0.848 1.00 0.00 C ATOM 0 H LEU A 71 -2.432 -9.109 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.668 -10.814 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.093 -11.003 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.487 -10.725 0.019 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.185 -13.006 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.495 -14.616 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.745 -13.300 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.695 -13.299 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.784 -14.209 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.390 -12.871 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.255 -12.598 1.587 1.00 0.00 H new ATOM 439 N ARG A 72 -3.805 -11.424 -1.949 1.00 0.00 N ATOM 440 CA ARG A 72 -5.008 -12.161 -2.333 1.00 0.00 C ATOM 441 C ARG A 72 -6.273 -11.479 -1.816 1.00 0.00 C ATOM 442 O ARG A 72 -6.208 -10.574 -0.984 1.00 0.00 O ATOM 443 CB ARG A 72 -4.942 -13.600 -1.811 1.00 0.00 C ATOM 444 CG ARG A 72 -5.425 -14.634 -2.813 1.00 0.00 C ATOM 445 CD ARG A 72 -6.544 -15.490 -2.237 1.00 0.00 C ATOM 446 NE ARG A 72 -7.069 -16.438 -3.219 1.00 0.00 N ATOM 447 CZ ARG A 72 -6.473 -17.588 -3.540 1.00 0.00 C ATOM 448 NH1 ARG A 72 -5.319 -17.934 -2.971 1.00 0.00 N ATOM 449 NH2 ARG A 72 -7.028 -18.396 -4.436 1.00 0.00 N ATOM 0 H ARG A 72 -3.922 -10.821 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.051 -12.174 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.914 -13.829 -1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.543 -13.677 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.777 -14.132 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.592 -15.273 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.173 -16.035 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.351 -14.845 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.945 -16.206 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.884 -17.318 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.870 -18.815 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.910 -18.138 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.572 -19.275 -4.681 1.00 0.00 H new ATOM 463 N ARG A 73 -7.425 -11.930 -2.312 1.00 0.00 N ATOM 464 CA ARG A 73 -8.713 -11.377 -1.899 1.00 0.00 C ATOM 465 C ARG A 73 -9.572 -12.459 -1.248 1.00 0.00 C ATOM 466 O ARG A 73 -9.950 -13.437 -1.895 1.00 0.00 O ATOM 467 CB ARG A 73 -9.454 -10.761 -3.093 1.00 0.00 C ATOM 468 CG ARG A 73 -9.524 -11.664 -4.319 1.00 0.00 C ATOM 469 CD ARG A 73 -10.851 -11.513 -5.051 1.00 0.00 C ATOM 470 NE ARG A 73 -10.669 -11.173 -6.463 1.00 0.00 N ATOM 471 CZ ARG A 73 -11.624 -10.636 -7.230 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.832 -10.385 -6.734 1.00 0.00 N ATOM 473 NH2 ARG A 73 -11.368 -10.353 -8.503 1.00 0.00 N ATOM 0 H ARG A 73 -7.492 -12.678 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.525 -10.589 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.468 -10.507 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.962 -9.829 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.705 -11.423 -4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.392 -12.702 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.415 -12.443 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.445 -10.738 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.760 -11.357 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.038 -10.602 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.552 -9.975 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.445 -10.545 -8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.094 -9.943 -9.090 1.00 0.00 H new ATOM 487 N LYS A 74 -9.867 -12.283 0.040 1.00 0.00 N ATOM 488 CA LYS A 74 -10.675 -13.246 0.783 1.00 0.00 C ATOM 489 C LYS A 74 -12.069 -12.689 1.063 1.00 0.00 C ATOM 490 O LYS A 74 -12.211 -11.602 1.630 1.00 0.00 O ATOM 491 CB LYS A 74 -9.986 -13.637 2.095 1.00 0.00 C ATOM 492 CG LYS A 74 -9.095 -12.552 2.683 1.00 0.00 C ATOM 493 CD LYS A 74 -8.619 -12.920 4.081 1.00 0.00 C ATOM 494 CE LYS A 74 -9.642 -12.541 5.142 1.00 0.00 C ATOM 495 NZ LYS A 74 -9.005 -12.282 6.466 1.00 0.00 N ATOM 0 H LYS A 74 -9.558 -11.481 0.590 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.780 -14.139 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.749 -13.901 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.386 -14.531 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.234 -12.395 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.642 -11.610 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.425 -13.992 4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.675 -12.415 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.185 -11.652 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.374 -13.342 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.732 -12.295 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.297 -13.018 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.541 -11.351 6.452 1.00 0.00 H new ATOM 509 N GLU A 75 -13.091 -13.443 0.658 1.00 0.00 N ATOM 510 CA GLU A 75 -14.478 -13.034 0.857 1.00 0.00 C ATOM 511 C GLU A 75 -15.094 -13.740 2.063 1.00 0.00 C ATOM 512 O GLU A 75 -15.179 -14.970 2.094 1.00 0.00 O ATOM 513 CB GLU A 75 -15.304 -13.336 -0.396 1.00 0.00 C ATOM 514 CG GLU A 75 -15.972 -12.111 -1.001 1.00 0.00 C ATOM 515 CD GLU A 75 -16.620 -12.392 -2.345 1.00 0.00 C ATOM 516 OE1 GLU A 75 -17.120 -13.521 -2.547 1.00 0.00 O ATOM 517 OE2 GLU A 75 -16.629 -11.479 -3.198 1.00 0.00 O ATOM 0 H GLU A 75 -12.982 -14.342 0.189 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.486 -11.960 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.657 -13.793 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -16.070 -14.070 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.728 -11.738 -0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.231 -11.321 -1.119 1.00 0.00 H new ATOM 524 N THR A 76 -15.531 -12.957 3.046 1.00 0.00 N ATOM 525 CA THR A 76 -16.151 -13.509 4.249 1.00 0.00 C ATOM 526 C THR A 76 -17.452 -12.772 4.571 1.00 0.00 C ATOM 527 O THR A 76 -17.485 -11.542 4.610 1.00 0.00 O ATOM 528 CB THR A 76 -15.182 -13.439 5.434 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.774 -13.989 6.597 1.00 0.00 O ATOM 530 CG2 THR A 76 -14.732 -12.034 5.770 1.00 0.00 C ATOM 0 H THR A 76 -15.468 -11.939 3.034 1.00 0.00 H new ATOM 0 HA THR A 76 -16.389 -14.556 4.063 1.00 0.00 H new ATOM 0 HB THR A 76 -14.309 -14.012 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.140 -13.937 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.048 -12.064 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.223 -11.599 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.600 -11.425 6.024 1.00 0.00 H new ATOM 666 N PHE A 86 -22.028 -8.948 3.399 1.00 0.00 N ATOM 667 CA PHE A 86 -20.748 -9.428 2.886 1.00 0.00 C ATOM 668 C PHE A 86 -19.602 -8.559 3.397 1.00 0.00 C ATOM 669 O PHE A 86 -19.740 -7.340 3.511 1.00 0.00 O ATOM 670 CB PHE A 86 -20.752 -9.432 1.353 1.00 0.00 C ATOM 671 CG PHE A 86 -21.580 -10.535 0.747 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.966 -10.482 0.781 1.00 0.00 C ATOM 673 CD2 PHE A 86 -20.972 -11.619 0.134 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.726 -11.490 0.218 1.00 0.00 C ATOM 675 CE2 PHE A 86 -21.728 -12.629 -0.432 1.00 0.00 C ATOM 676 CZ PHE A 86 -23.107 -12.564 -0.389 1.00 0.00 C ATOM 0 HA PHE A 86 -20.602 -10.447 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.128 -8.472 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.726 -9.524 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.457 -9.644 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.894 -11.676 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -24.804 -11.437 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.241 -13.468 -0.907 1.00 0.00 H new ATOM 0 HZ PHE A 86 -23.700 -13.352 -0.829 1.00 0.00 H new ATOM 686 N ASN A 87 -18.471 -9.194 3.697 1.00 0.00 N ATOM 687 CA ASN A 87 -17.300 -8.482 4.191 1.00 0.00 C ATOM 688 C ASN A 87 -16.037 -8.977 3.488 1.00 0.00 C ATOM 689 O ASN A 87 -15.299 -9.810 4.017 1.00 0.00 O ATOM 690 CB ASN A 87 -17.170 -8.665 5.708 1.00 0.00 C ATOM 691 CG ASN A 87 -16.734 -7.395 6.411 1.00 0.00 C ATOM 692 OD1 ASN A 87 -15.540 -7.131 6.555 1.00 0.00 O ATOM 693 ND2 ASN A 87 -17.701 -6.598 6.855 1.00 0.00 N ATOM 0 H ASN A 87 -18.343 -10.202 3.606 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.422 -7.421 3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -18.127 -8.991 6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.450 -9.456 5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -17.466 -5.730 7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.678 -6.855 6.715 1.00 0.00 H new ATOM 700 N VAL A 88 -15.796 -8.452 2.291 1.00 0.00 N ATOM 701 CA VAL A 88 -14.621 -8.834 1.510 1.00 0.00 C ATOM 702 C VAL A 88 -13.472 -7.858 1.738 1.00 0.00 C ATOM 703 O VAL A 88 -13.674 -6.641 1.771 1.00 0.00 O ATOM 704 CB VAL A 88 -14.942 -8.913 -0.001 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.586 -7.621 -0.492 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.689 -9.234 -0.805 1.00 0.00 C ATOM 0 H VAL A 88 -16.397 -7.762 1.840 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.321 -9.825 1.851 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.657 -9.722 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.801 -7.704 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.514 -7.447 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.904 -6.788 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.940 -9.284 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.944 -8.454 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.285 -10.193 -0.482 1.00 0.00 H new ATOM 716 N LEU A 89 -12.267 -8.399 1.898 1.00 0.00 N ATOM 717 CA LEU A 89 -11.082 -7.578 2.128 1.00 0.00 C ATOM 718 C LEU A 89 -9.947 -7.956 1.178 1.00 0.00 C ATOM 719 O LEU A 89 -9.992 -8.995 0.514 1.00 0.00 O ATOM 720 CB LEU A 89 -10.594 -7.713 3.573 1.00 0.00 C ATOM 721 CG LEU A 89 -11.691 -7.846 4.636 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.197 -8.678 5.811 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.147 -6.470 5.103 1.00 0.00 C ATOM 0 H LEU A 89 -12.086 -9.402 1.873 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.370 -6.544 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.944 -8.585 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.984 -6.842 3.814 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.545 -8.358 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.989 -8.762 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.920 -9.673 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.328 -8.196 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.926 -6.581 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.301 -5.932 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.541 -5.910 4.255 1.00 0.00 H new ATOM 735 N TYR A 90 -8.927 -7.103 1.133 1.00 0.00 N ATOM 736 CA TYR A 90 -7.764 -7.322 0.286 1.00 0.00 C ATOM 737 C TYR A 90 -6.533 -7.632 1.136 1.00 0.00 C ATOM 738 O TYR A 90 -5.977 -6.742 1.782 1.00 0.00 O ATOM 739 CB TYR A 90 -7.502 -6.084 -0.579 1.00 0.00 C ATOM 740 CG TYR A 90 -8.014 -6.220 -1.994 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.871 -7.414 -2.688 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.637 -5.159 -2.638 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.333 -7.548 -3.979 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.104 -5.285 -3.931 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.950 -6.481 -4.598 1.00 0.00 C ATOM 746 OH TYR A 90 -9.413 -6.612 -5.889 1.00 0.00 O ATOM 0 H TYR A 90 -8.886 -6.244 1.682 1.00 0.00 H new ATOM 0 HA TYR A 90 -7.965 -8.175 -0.362 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.972 -5.218 -0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.430 -5.889 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.389 -8.253 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.758 -4.220 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.213 -8.484 -4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.588 -4.451 -4.417 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.822 -5.769 -6.177 1.00 0.00 H new ATOM 756 N LYS A 91 -6.109 -8.897 1.130 1.00 0.00 N ATOM 757 CA LYS A 91 -4.941 -9.320 1.898 1.00 0.00 C ATOM 758 C LYS A 91 -3.674 -8.682 1.332 1.00 0.00 C ATOM 759 O LYS A 91 -3.091 -9.189 0.370 1.00 0.00 O ATOM 760 CB LYS A 91 -4.811 -10.848 1.883 1.00 0.00 C ATOM 761 CG LYS A 91 -5.607 -11.542 2.978 1.00 0.00 C ATOM 762 CD LYS A 91 -5.126 -12.970 3.204 1.00 0.00 C ATOM 763 CE LYS A 91 -5.426 -13.864 2.008 1.00 0.00 C ATOM 764 NZ LYS A 91 -4.188 -14.230 1.262 1.00 0.00 N ATOM 0 H LYS A 91 -6.558 -9.645 0.601 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.071 -8.991 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.141 -11.222 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.759 -11.115 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.519 -10.977 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.663 -11.552 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.053 -12.966 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.606 -13.379 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.926 -14.771 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.116 -13.353 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.424 -14.906 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.770 -13.375 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.505 -14.665 1.915 1.00 0.00 H new ATOM 778 N VAL A 92 -3.262 -7.561 1.920 1.00 0.00 N ATOM 779 CA VAL A 92 -2.075 -6.848 1.459 1.00 0.00 C ATOM 780 C VAL A 92 -0.932 -6.929 2.468 1.00 0.00 C ATOM 781 O VAL A 92 -1.150 -7.156 3.661 1.00 0.00 O ATOM 782 CB VAL A 92 -2.378 -5.364 1.159 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.508 -5.241 0.147 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.713 -4.605 2.436 1.00 0.00 C ATOM 0 H VAL A 92 -3.732 -7.128 2.715 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.768 -7.342 0.537 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.482 -4.917 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.706 -4.188 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.221 -5.737 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.407 -5.710 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.922 -3.563 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.589 -5.052 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.868 -4.657 3.122 1.00 0.00 H new ATOM 794 N LEU A 93 0.288 -6.726 1.974 1.00 0.00 N ATOM 795 CA LEU A 93 1.481 -6.756 2.808 1.00 0.00 C ATOM 796 C LEU A 93 2.047 -5.348 2.959 1.00 0.00 C ATOM 797 O LEU A 93 2.183 -4.622 1.976 1.00 0.00 O ATOM 798 CB LEU A 93 2.534 -7.687 2.196 1.00 0.00 C ATOM 799 CG LEU A 93 3.860 -7.771 2.958 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.803 -8.874 4.007 1.00 0.00 C ATOM 801 CD2 LEU A 93 5.014 -8.008 1.994 1.00 0.00 C ATOM 0 H LEU A 93 0.474 -6.537 0.989 1.00 0.00 H new ATOM 0 HA LEU A 93 1.212 -7.136 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.111 -8.689 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.740 -7.355 1.178 1.00 0.00 H new ATOM 0 HG LEU A 93 4.027 -6.822 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.753 -8.920 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.001 -8.662 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.614 -9.830 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.948 -8.065 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.854 -8.943 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.067 -7.185 1.281 1.00 0.00 H new ATOM 813 N PHE A 94 2.370 -4.971 4.189 1.00 0.00 N ATOM 814 CA PHE A 94 2.918 -3.645 4.461 1.00 0.00 C ATOM 815 C PHE A 94 4.446 -3.677 4.472 1.00 0.00 C ATOM 816 O PHE A 94 5.050 -4.746 4.520 1.00 0.00 O ATOM 817 CB PHE A 94 2.387 -3.120 5.798 1.00 0.00 C ATOM 818 CG PHE A 94 1.133 -2.299 5.672 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.005 -2.827 5.078 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.092 -0.997 6.147 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.157 -2.071 4.961 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.057 -0.238 6.032 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.183 -0.775 5.439 1.00 0.00 C ATOM 0 H PHE A 94 2.263 -5.562 5.014 1.00 0.00 H new ATOM 0 HA PHE A 94 2.599 -2.972 3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.192 -3.965 6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.160 -2.516 6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.009 -3.840 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.969 -0.571 6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.036 -2.493 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.075 0.775 6.406 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.082 -0.183 5.349 1.00 0.00 H new ATOM 833 N PHE A 95 5.064 -2.499 4.411 1.00 0.00 N ATOM 834 CA PHE A 95 6.524 -2.389 4.397 1.00 0.00 C ATOM 835 C PHE A 95 6.993 -1.265 5.325 1.00 0.00 C ATOM 836 O PHE A 95 6.206 -0.384 5.680 1.00 0.00 O ATOM 837 CB PHE A 95 7.016 -2.116 2.969 1.00 0.00 C ATOM 838 CG PHE A 95 6.504 -3.094 1.946 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.181 -3.064 1.536 1.00 0.00 C ATOM 840 CD2 PHE A 95 7.349 -4.044 1.397 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.712 -3.962 0.599 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.884 -4.944 0.460 1.00 0.00 C ATOM 843 CZ PHE A 95 5.564 -4.904 0.060 1.00 0.00 C ATOM 0 H PHE A 95 4.576 -1.604 4.370 1.00 0.00 H new ATOM 0 HA PHE A 95 6.941 -3.332 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.713 -1.110 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.106 -2.136 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.509 -2.329 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.383 -4.081 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.678 -3.927 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.553 -5.680 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.199 -5.608 -0.673 1.00 0.00 H new ATOM 853 N PRO A 96 8.280 -1.271 5.738 1.00 0.00 N ATOM 854 CA PRO A 96 9.273 -2.289 5.353 1.00 0.00 C ATOM 855 C PRO A 96 9.224 -3.560 6.211 1.00 0.00 C ATOM 856 O PRO A 96 9.624 -4.632 5.759 1.00 0.00 O ATOM 857 CB PRO A 96 10.618 -1.579 5.582 1.00 0.00 C ATOM 858 CG PRO A 96 10.297 -0.216 6.114 1.00 0.00 C ATOM 859 CD PRO A 96 8.882 -0.268 6.616 1.00 0.00 C ATOM 0 HA PRO A 96 9.096 -2.630 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.235 -2.135 6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.182 -1.509 4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.982 0.057 6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.403 0.538 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.832 -0.562 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.384 0.698 6.532 1.00 0.00 H new ATOM 867 N ASP A 97 8.759 -3.416 7.456 1.00 0.00 N ATOM 868 CA ASP A 97 8.676 -4.532 8.409 1.00 0.00 C ATOM 869 C ASP A 97 8.036 -5.791 7.807 1.00 0.00 C ATOM 870 O ASP A 97 8.261 -6.895 8.308 1.00 0.00 O ATOM 871 CB ASP A 97 7.888 -4.098 9.653 1.00 0.00 C ATOM 872 CG ASP A 97 8.749 -3.396 10.689 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.658 -2.633 10.296 1.00 0.00 O ATOM 874 OD2 ASP A 97 8.509 -3.606 11.898 1.00 0.00 O ATOM 0 H ASP A 97 8.430 -2.527 7.832 1.00 0.00 H new ATOM 0 HA ASP A 97 9.700 -4.792 8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.080 -3.432 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.426 -4.975 10.107 1.00 0.00 H new ATOM 879 N PHE A 98 7.236 -5.625 6.749 1.00 0.00 N ATOM 880 CA PHE A 98 6.564 -6.754 6.094 1.00 0.00 C ATOM 881 C PHE A 98 5.427 -7.285 6.961 1.00 0.00 C ATOM 882 O PHE A 98 5.405 -8.461 7.331 1.00 0.00 O ATOM 883 CB PHE A 98 7.564 -7.874 5.765 1.00 0.00 C ATOM 884 CG PHE A 98 8.645 -7.457 4.805 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.328 -6.790 3.633 1.00 0.00 C ATOM 886 CD2 PHE A 98 9.976 -7.734 5.076 1.00 0.00 C ATOM 887 CE1 PHE A 98 9.316 -6.408 2.748 1.00 0.00 C ATOM 888 CE2 PHE A 98 10.969 -7.353 4.193 1.00 0.00 C ATOM 889 CZ PHE A 98 10.637 -6.690 3.029 1.00 0.00 C ATOM 0 H PHE A 98 7.037 -4.718 6.327 1.00 0.00 H new ATOM 0 HA PHE A 98 6.139 -6.394 5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.025 -8.220 6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.022 -8.720 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.295 -6.566 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.240 -8.253 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.055 -5.889 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.003 -7.574 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.411 -6.392 2.338 1.00 0.00 H new ATOM 899 N ASN A 99 4.481 -6.404 7.279 1.00 0.00 N ATOM 900 CA ASN A 99 3.330 -6.767 8.103 1.00 0.00 C ATOM 901 C ASN A 99 2.112 -7.064 7.231 1.00 0.00 C ATOM 902 O ASN A 99 2.175 -6.966 6.005 1.00 0.00 O ATOM 903 CB ASN A 99 2.982 -5.641 9.082 1.00 0.00 C ATOM 904 CG ASN A 99 4.168 -5.185 9.913 1.00 0.00 C ATOM 905 OD1 ASN A 99 5.204 -4.803 9.374 1.00 0.00 O ATOM 906 ND2 ASN A 99 4.019 -5.211 11.235 1.00 0.00 N ATOM 0 H ASN A 99 4.489 -5.430 6.977 1.00 0.00 H new ATOM 0 HA ASN A 99 3.599 -7.661 8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.589 -4.791 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.188 -5.979 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.781 -4.907 11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.142 -5.535 11.643 1.00 0.00 H new ATOM 913 N PHE A 100 1.005 -7.423 7.876 1.00 0.00 N ATOM 914 CA PHE A 100 -0.225 -7.729 7.170 1.00 0.00 C ATOM 915 C PHE A 100 -1.384 -6.863 7.640 1.00 0.00 C ATOM 916 O PHE A 100 -1.341 -6.276 8.725 1.00 0.00 O ATOM 917 CB PHE A 100 -0.583 -9.198 7.351 1.00 0.00 C ATOM 918 CG PHE A 100 -0.899 -9.858 6.054 1.00 0.00 C ATOM 919 CD1 PHE A 100 0.048 -9.897 5.053 1.00 0.00 C ATOM 920 CD2 PHE A 100 -2.140 -10.419 5.832 1.00 0.00 C ATOM 921 CE1 PHE A 100 -0.236 -10.489 3.843 1.00 0.00 C ATOM 922 CE2 PHE A 100 -2.435 -11.014 4.627 1.00 0.00 C ATOM 923 CZ PHE A 100 -1.480 -11.052 3.626 1.00 0.00 C ATOM 0 H PHE A 100 0.940 -7.508 8.890 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.053 -7.516 6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.247 -9.717 7.829 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.440 -9.283 8.019 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.021 -9.459 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.887 -10.391 6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.512 -10.514 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.409 -11.450 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.706 -11.520 2.679 1.00 0.00 H new ATOM 933 N ALA A 101 -2.429 -6.803 6.814 1.00 0.00 N ATOM 934 CA ALA A 101 -3.620 -6.027 7.127 1.00 0.00 C ATOM 935 C ALA A 101 -4.726 -6.281 6.108 1.00 0.00 C ATOM 936 O ALA A 101 -4.522 -6.119 4.904 1.00 0.00 O ATOM 937 CB ALA A 101 -3.289 -4.541 7.191 1.00 0.00 C ATOM 0 H ALA A 101 -2.470 -7.288 5.918 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.981 -6.347 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.192 -3.977 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.541 -4.368 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.897 -4.214 6.228 1.00 0.00 H new ATOM 943 N TRP A 102 -5.900 -6.676 6.601 1.00 0.00 N ATOM 944 CA TRP A 102 -7.043 -6.946 5.733 1.00 0.00 C ATOM 945 C TRP A 102 -7.876 -5.679 5.548 1.00 0.00 C ATOM 946 O TRP A 102 -8.604 -5.266 6.451 1.00 0.00 O ATOM 947 CB TRP A 102 -7.914 -8.070 6.310 1.00 0.00 C ATOM 948 CG TRP A 102 -7.128 -9.217 6.873 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.090 -9.875 6.277 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.320 -9.842 8.147 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.625 -10.869 7.102 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.365 -10.871 8.256 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.208 -9.633 9.206 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -6.273 -11.684 9.382 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -8.115 -10.441 10.323 1.00 0.00 C ATOM 956 CH2 TRP A 102 -7.154 -11.456 10.404 1.00 0.00 C ATOM 0 H TRP A 102 -6.083 -6.815 7.595 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.666 -7.268 4.762 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.550 -7.658 7.094 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.574 -8.444 5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.693 -9.647 5.299 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.854 -11.503 6.891 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.954 -8.854 9.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.532 -12.467 9.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.795 -10.287 11.148 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.107 -12.071 11.290 1.00 0.00 H new ATOM 967 N VAL A 103 -7.754 -5.066 4.372 1.00 0.00 N ATOM 968 CA VAL A 103 -8.485 -3.839 4.062 1.00 0.00 C ATOM 969 C VAL A 103 -9.302 -3.998 2.786 1.00 0.00 C ATOM 970 O VAL A 103 -8.828 -4.576 1.811 1.00 0.00 O ATOM 971 CB VAL A 103 -7.522 -2.644 3.899 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.296 -1.357 3.646 1.00 0.00 C ATOM 973 CG2 VAL A 103 -6.623 -2.509 5.120 1.00 0.00 C ATOM 0 H VAL A 103 -7.155 -5.400 3.617 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.157 -3.645 4.898 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.889 -2.830 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.597 -0.528 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.885 -1.460 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.960 -1.161 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.952 -1.661 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.236 -2.349 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.037 -3.420 5.243 1.00 0.00 H new ATOM 983 N LYS A 104 -10.528 -3.482 2.798 1.00 0.00 N ATOM 984 CA LYS A 104 -11.402 -3.572 1.629 1.00 0.00 C ATOM 985 C LYS A 104 -10.847 -2.743 0.467 1.00 0.00 C ATOM 986 O LYS A 104 -9.728 -2.235 0.535 1.00 0.00 O ATOM 987 CB LYS A 104 -12.820 -3.101 1.975 1.00 0.00 C ATOM 988 CG LYS A 104 -13.363 -3.672 3.274 1.00 0.00 C ATOM 989 CD LYS A 104 -14.870 -3.494 3.371 1.00 0.00 C ATOM 990 CE LYS A 104 -15.612 -4.728 2.884 1.00 0.00 C ATOM 991 NZ LYS A 104 -17.069 -4.660 3.185 1.00 0.00 N ATOM 0 H LYS A 104 -10.938 -3.000 3.598 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.443 -4.617 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.825 -2.013 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.491 -3.375 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.115 -4.731 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.882 -3.180 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.147 -3.287 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.174 -2.630 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -15.469 -4.836 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.186 -5.615 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.536 -5.521 2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -17.208 -4.583 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.482 -3.828 2.717 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.633 -2.611 -0.598 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.215 -1.844 -1.774 1.00 0.00 C ATOM 1007 C ARG A 105 -11.484 -0.347 -1.601 1.00 0.00 C ATOM 1008 O ARG A 105 -10.847 0.479 -2.249 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.927 -2.351 -3.031 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.984 -3.867 -3.140 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.341 -4.403 -2.711 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.225 -4.653 -3.850 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.552 -4.755 -3.755 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -16.157 -4.640 -2.575 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.282 -4.974 -4.844 1.00 0.00 N ATOM 0 H ARG A 105 -12.563 -3.024 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.140 -1.987 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.943 -1.957 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.419 -1.953 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.781 -4.167 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.204 -4.308 -2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.203 -5.328 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.814 -3.689 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.801 -4.755 -4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.606 -4.472 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.172 -4.719 -2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.828 -5.064 -5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.296 -5.052 -4.771 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.433 -0.001 -0.730 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.779 1.402 -0.487 1.00 0.00 C ATOM 1031 C ASN A 106 -11.641 2.149 0.209 1.00 0.00 C ATOM 1032 O ASN A 106 -11.421 3.331 -0.053 1.00 0.00 O ATOM 1033 CB ASN A 106 -14.068 1.511 0.338 1.00 0.00 C ATOM 1034 CG ASN A 106 -13.935 0.922 1.732 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -13.099 0.053 1.976 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -14.765 1.392 2.658 1.00 0.00 N ATOM 0 H ASN A 106 -12.975 -0.670 -0.182 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.944 1.869 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.353 2.560 0.419 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.874 1.002 -0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.722 1.032 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.444 2.113 2.415 1.00 0.00 H new ATOM 1043 N SER A 107 -10.916 1.457 1.088 1.00 0.00 N ATOM 1044 CA SER A 107 -9.797 2.068 1.804 1.00 0.00 C ATOM 1045 C SER A 107 -8.465 1.769 1.108 1.00 0.00 C ATOM 1046 O SER A 107 -7.396 1.930 1.702 1.00 0.00 O ATOM 1047 CB SER A 107 -9.760 1.573 3.252 1.00 0.00 C ATOM 1048 OG SER A 107 -10.616 2.346 4.074 1.00 0.00 O ATOM 0 H SER A 107 -11.083 0.478 1.320 1.00 0.00 H new ATOM 0 HA SER A 107 -9.945 3.148 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.061 0.526 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.740 1.625 3.632 1.00 0.00 H new ATOM 0 HG SER A 107 -10.577 2.010 4.994 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.534 1.339 -0.156 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.339 1.024 -0.929 1.00 0.00 C ATOM 1056 C VAL A 108 -7.351 1.751 -2.276 1.00 0.00 C ATOM 1057 O VAL A 108 -8.413 1.982 -2.856 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.217 -0.498 -1.163 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.009 -0.821 -2.033 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.134 -1.236 0.165 1.00 0.00 C ATOM 0 H VAL A 108 -9.409 1.202 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.478 1.362 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.110 -0.833 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.946 -1.899 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.113 -0.326 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.102 -0.469 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.048 -2.307 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.260 -0.892 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.034 -1.039 0.748 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.161 2.112 -2.763 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.026 2.815 -4.039 1.00 0.00 C ATOM 1072 C LYS A 109 -4.923 2.189 -4.894 1.00 0.00 C ATOM 1073 O LYS A 109 -3.855 1.849 -4.381 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.714 4.294 -3.797 1.00 0.00 C ATOM 1075 CG LYS A 109 -6.072 5.193 -4.971 1.00 0.00 C ATOM 1076 CD LYS A 109 -5.779 6.655 -4.672 1.00 0.00 C ATOM 1077 CE LYS A 109 -6.746 7.224 -3.643 1.00 0.00 C ATOM 1078 NZ LYS A 109 -6.052 8.065 -2.629 1.00 0.00 N ATOM 0 H LYS A 109 -5.276 1.928 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.972 2.728 -4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.256 4.631 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.651 4.401 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.510 4.882 -5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.129 5.075 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.757 6.754 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.844 7.235 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.505 7.820 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.265 6.406 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.312 7.743 -1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.023 7.982 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.336 9.058 -2.749 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.162 2.033 -6.213 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.174 1.449 -7.133 1.00 0.00 C ATOM 1094 C PRO A 110 -2.874 2.252 -7.164 1.00 0.00 C ATOM 1095 O PRO A 110 -2.868 3.432 -7.521 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.871 1.494 -8.500 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.965 2.497 -8.347 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.402 2.412 -6.913 1.00 0.00 C ATOM 0 HA PRO A 110 -3.883 0.443 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.176 1.786 -9.287 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.268 0.516 -8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.613 3.500 -8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.793 2.278 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.794 3.363 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.188 1.670 -6.773 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.776 1.601 -6.782 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.466 2.248 -6.756 1.00 0.00 C ATOM 1108 C LEU A 111 0.387 1.801 -7.942 1.00 0.00 C ATOM 1109 O LEU A 111 0.457 0.610 -8.253 1.00 0.00 O ATOM 1110 CB LEU A 111 0.245 1.926 -5.437 1.00 0.00 C ATOM 1111 CG LEU A 111 1.565 2.667 -5.200 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.365 4.173 -5.301 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.149 2.290 -3.844 1.00 0.00 C ATOM 0 H LEU A 111 -1.768 0.625 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.609 3.326 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.432 2.155 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.439 0.854 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 111 2.271 2.368 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.315 4.679 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.994 4.425 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.642 4.495 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.086 2.824 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.445 2.559 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.334 1.216 -3.813 1.00 0.00 H new ATOM 1125 N LEU A 112 1.034 2.761 -8.602 1.00 0.00 N ATOM 1126 CA LEU A 112 1.881 2.462 -9.754 1.00 0.00 C ATOM 1127 C LEU A 112 3.361 2.586 -9.402 1.00 0.00 C ATOM 1128 O LEU A 112 3.717 3.052 -8.320 1.00 0.00 O ATOM 1129 CB LEU A 112 1.547 3.397 -10.916 1.00 0.00 C ATOM 1130 CG LEU A 112 0.097 3.353 -11.399 1.00 0.00 C ATOM 1131 CD1 LEU A 112 -0.062 4.196 -12.651 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.341 1.916 -11.659 1.00 0.00 C ATOM 0 H LEU A 112 0.987 3.750 -8.359 1.00 0.00 H new ATOM 0 HA LEU A 112 1.684 1.432 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.781 4.419 -10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.199 3.153 -11.755 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.542 3.765 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.098 4.158 -12.986 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.210 5.228 -12.432 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.588 3.808 -13.436 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.376 1.907 -12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.298 1.473 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.259 1.338 -10.738 1.00 0.00 H new ATOM 1144 N ASP A 113 4.218 2.171 -10.333 1.00 0.00 N ATOM 1145 CA ASP A 113 5.668 2.237 -10.133 1.00 0.00 C ATOM 1146 C ASP A 113 6.152 3.682 -10.158 1.00 0.00 C ATOM 1147 O ASP A 113 6.911 4.106 -9.285 1.00 0.00 O ATOM 1148 CB ASP A 113 6.396 1.420 -11.207 1.00 0.00 C ATOM 1149 CG ASP A 113 6.285 -0.079 -10.983 1.00 0.00 C ATOM 1150 OD1 ASP A 113 5.198 -0.544 -10.579 1.00 0.00 O ATOM 1151 OD2 ASP A 113 7.287 -0.787 -11.212 1.00 0.00 O ATOM 0 H ASP A 113 3.935 1.785 -11.234 1.00 0.00 H new ATOM 0 HA ASP A 113 5.894 1.813 -9.155 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.986 1.668 -12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.448 1.704 -11.222 1.00 0.00 H new ATOM 1156 N SER A 114 5.701 4.435 -11.161 1.00 0.00 N ATOM 1157 CA SER A 114 6.081 5.838 -11.296 1.00 0.00 C ATOM 1158 C SER A 114 5.599 6.639 -10.090 1.00 0.00 C ATOM 1159 O SER A 114 6.324 7.489 -9.578 1.00 0.00 O ATOM 1160 CB SER A 114 5.508 6.429 -12.588 1.00 0.00 C ATOM 1161 OG SER A 114 5.765 5.582 -13.695 1.00 0.00 O ATOM 0 H SER A 114 5.073 4.096 -11.890 1.00 0.00 H new ATOM 0 HA SER A 114 7.169 5.896 -11.341 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.433 6.575 -12.479 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.946 7.411 -12.768 1.00 0.00 H new ATOM 0 HG SER A 114 5.388 5.981 -14.507 1.00 0.00 H new ATOM 1167 N GLU A 115 4.375 6.357 -9.638 1.00 0.00 N ATOM 1168 CA GLU A 115 3.804 7.051 -8.484 1.00 0.00 C ATOM 1169 C GLU A 115 4.652 6.815 -7.235 1.00 0.00 C ATOM 1170 O GLU A 115 4.989 7.760 -6.522 1.00 0.00 O ATOM 1171 CB GLU A 115 2.363 6.590 -8.236 1.00 0.00 C ATOM 1172 CG GLU A 115 1.393 7.005 -9.330 1.00 0.00 C ATOM 1173 CD GLU A 115 -0.013 7.225 -8.805 1.00 0.00 C ATOM 1174 OE1 GLU A 115 -0.748 6.228 -8.643 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -0.378 8.394 -8.557 1.00 0.00 O ATOM 0 H GLU A 115 3.763 5.655 -10.053 1.00 0.00 H new ATOM 0 HA GLU A 115 3.798 8.119 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.349 5.504 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.019 6.996 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.750 7.922 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.373 6.238 -10.104 1.00 0.00 H new ATOM 1182 N ILE A 116 5.008 5.554 -6.986 1.00 0.00 N ATOM 1183 CA ILE A 116 5.834 5.205 -5.833 1.00 0.00 C ATOM 1184 C ILE A 116 7.165 5.942 -5.908 1.00 0.00 C ATOM 1185 O ILE A 116 7.552 6.638 -4.966 1.00 0.00 O ATOM 1186 CB ILE A 116 6.099 3.682 -5.753 1.00 0.00 C ATOM 1187 CG1 ILE A 116 4.786 2.922 -5.549 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.078 3.363 -4.627 1.00 0.00 C ATOM 1189 CD1 ILE A 116 4.839 1.485 -6.019 1.00 0.00 C ATOM 0 H ILE A 116 4.737 4.760 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 116 5.288 5.502 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 116 6.544 3.362 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.526 2.940 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.989 3.441 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.250 2.287 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.022 3.875 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.662 3.698 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.874 1.009 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.068 1.459 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.613 0.950 -5.468 1.00 0.00 H new ATOM 1201 N ALA A 117 7.850 5.803 -7.044 1.00 0.00 N ATOM 1202 CA ALA A 117 9.127 6.481 -7.259 1.00 0.00 C ATOM 1203 C ALA A 117 8.961 7.984 -7.058 1.00 0.00 C ATOM 1204 O ALA A 117 9.857 8.660 -6.546 1.00 0.00 O ATOM 1205 CB ALA A 117 9.656 6.192 -8.658 1.00 0.00 C ATOM 0 H ALA A 117 7.542 5.228 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 117 9.848 6.105 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.607 6.705 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.801 5.118 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.939 6.546 -9.399 1.00 0.00 H new ATOM 1211 N LYS A 118 7.798 8.493 -7.463 1.00 0.00 N ATOM 1212 CA LYS A 118 7.481 9.908 -7.336 1.00 0.00 C ATOM 1213 C LYS A 118 7.292 10.302 -5.880 1.00 0.00 C ATOM 1214 O LYS A 118 7.886 11.273 -5.412 1.00 0.00 O ATOM 1215 CB LYS A 118 6.221 10.243 -8.125 1.00 0.00 C ATOM 1216 CG LYS A 118 6.356 11.513 -8.930 1.00 0.00 C ATOM 1217 CD LYS A 118 6.496 11.207 -10.413 1.00 0.00 C ATOM 1218 CE LYS A 118 6.124 12.406 -11.274 1.00 0.00 C ATOM 1219 NZ LYS A 118 5.467 11.994 -12.549 1.00 0.00 N ATOM 0 H LYS A 118 7.055 7.936 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 118 8.321 10.473 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.987 9.416 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.382 10.342 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.484 12.146 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.225 12.074 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.522 10.910 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.858 10.362 -10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.454 13.060 -10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.021 12.984 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.230 12.839 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.115 11.391 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.598 11.464 -12.336 1.00 0.00 H new ATOM 1233 N PHE A 119 6.452 9.551 -5.170 1.00 0.00 N ATOM 1234 CA PHE A 119 6.182 9.826 -3.756 1.00 0.00 C ATOM 1235 C PHE A 119 7.480 10.046 -2.990 1.00 0.00 C ATOM 1236 O PHE A 119 7.610 11.012 -2.236 1.00 0.00 O ATOM 1237 CB PHE A 119 5.391 8.673 -3.123 1.00 0.00 C ATOM 1238 CG PHE A 119 5.375 8.695 -1.614 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.456 8.214 -0.888 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.279 9.190 -0.923 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.446 8.229 0.493 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.264 9.205 0.458 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.350 8.724 1.166 1.00 0.00 C ATOM 0 H PHE A 119 5.947 8.749 -5.547 1.00 0.00 H new ATOM 0 HA PHE A 119 5.585 10.736 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.364 8.707 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 119 5.817 7.727 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.317 7.823 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.428 9.568 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.295 7.854 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.404 9.592 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.339 8.736 2.246 1.00 0.00 H new ATOM 1253 N LEU A 120 8.439 9.147 -3.189 1.00 0.00 N ATOM 1254 CA LEU A 120 9.727 9.246 -2.519 1.00 0.00 C ATOM 1255 C LEU A 120 10.433 10.547 -2.895 1.00 0.00 C ATOM 1256 O LEU A 120 11.166 11.123 -2.084 1.00 0.00 O ATOM 1257 CB LEU A 120 10.600 8.047 -2.873 1.00 0.00 C ATOM 1258 CG LEU A 120 10.040 6.697 -2.419 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.171 5.660 -3.526 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.744 6.228 -1.155 1.00 0.00 C ATOM 0 H LEU A 120 8.347 8.342 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 120 9.555 9.249 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.741 8.023 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.585 8.186 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 120 8.980 6.821 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.767 4.708 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.618 5.993 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.222 5.536 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.334 5.267 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.811 6.121 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.592 6.960 -0.361 1.00 0.00 H new ATOM 1272 N GLY A 121 10.194 11.020 -4.122 1.00 0.00 N ATOM 1273 CA GLY A 121 10.796 12.259 -4.575 1.00 0.00 C ATOM 1274 C GLY A 121 9.956 13.484 -4.229 1.00 0.00 C ATOM 1275 O GLY A 121 10.139 14.548 -4.821 1.00 0.00 O ATOM 0 H GLY A 121 9.593 10.562 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.784 12.363 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.939 12.215 -5.655 1.00 0.00 H new ATOM 1369 N SER A 127 10.249 11.561 5.789 1.00 0.00 N ATOM 1370 CA SER A 127 10.608 10.869 7.018 1.00 0.00 C ATOM 1371 C SER A 127 11.156 9.484 6.700 1.00 0.00 C ATOM 1372 O SER A 127 10.798 8.888 5.686 1.00 0.00 O ATOM 1373 CB SER A 127 9.399 10.772 7.951 1.00 0.00 C ATOM 1374 OG SER A 127 8.595 9.649 7.642 1.00 0.00 O ATOM 0 HA SER A 127 11.385 11.440 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.740 10.704 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.803 11.681 7.871 1.00 0.00 H new ATOM 0 HG SER A 127 7.859 9.587 8.286 1.00 0.00 H new ATOM 1380 N LYS A 128 12.027 8.977 7.567 1.00 0.00 N ATOM 1381 CA LYS A 128 12.623 7.659 7.365 1.00 0.00 C ATOM 1382 C LYS A 128 11.544 6.587 7.267 1.00 0.00 C ATOM 1383 O LYS A 128 11.566 5.760 6.358 1.00 0.00 O ATOM 1384 CB LYS A 128 13.600 7.329 8.500 1.00 0.00 C ATOM 1385 CG LYS A 128 15.053 7.623 8.158 1.00 0.00 C ATOM 1386 CD LYS A 128 15.262 9.086 7.793 1.00 0.00 C ATOM 1387 CE LYS A 128 16.292 9.246 6.686 1.00 0.00 C ATOM 1388 NZ LYS A 128 17.595 9.763 7.197 1.00 0.00 N ATOM 0 H LYS A 128 12.335 9.456 8.413 1.00 0.00 H new ATOM 0 HA LYS A 128 13.176 7.678 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.321 7.900 9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 128 13.502 6.274 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 128 15.686 7.366 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 128 15.365 6.992 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.315 9.521 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.586 9.639 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.451 8.284 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.905 9.927 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.265 9.856 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.450 10.693 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.979 9.101 7.901 1.00 0.00 H new ATOM 1402 N GLU A 129 10.594 6.618 8.199 1.00 0.00 N ATOM 1403 CA GLU A 129 9.501 5.654 8.209 1.00 0.00 C ATOM 1404 C GLU A 129 8.650 5.770 6.943 1.00 0.00 C ATOM 1405 O GLU A 129 8.131 4.770 6.451 1.00 0.00 O ATOM 1406 CB GLU A 129 8.621 5.838 9.452 1.00 0.00 C ATOM 1407 CG GLU A 129 7.934 7.199 9.531 1.00 0.00 C ATOM 1408 CD GLU A 129 8.708 8.228 10.341 1.00 0.00 C ATOM 1409 OE1 GLU A 129 9.942 8.080 10.490 1.00 0.00 O ATOM 1410 OE2 GLU A 129 8.078 9.193 10.819 1.00 0.00 O ATOM 0 H GLU A 129 10.561 7.301 8.956 1.00 0.00 H new ATOM 0 HA GLU A 129 9.943 4.658 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.860 5.057 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.234 5.700 10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.786 7.581 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.945 7.072 9.971 1.00 0.00 H new ATOM 1417 N LEU A 130 8.507 6.993 6.415 1.00 0.00 N ATOM 1418 CA LEU A 130 7.710 7.204 5.205 1.00 0.00 C ATOM 1419 C LEU A 130 8.489 6.794 3.963 1.00 0.00 C ATOM 1420 O LEU A 130 7.999 6.009 3.149 1.00 0.00 O ATOM 1421 CB LEU A 130 7.253 8.668 5.080 1.00 0.00 C ATOM 1422 CG LEU A 130 5.799 8.947 5.486 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.831 8.185 4.591 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.570 8.592 6.949 1.00 0.00 C ATOM 0 H LEU A 130 8.927 7.838 6.802 1.00 0.00 H new ATOM 0 HA LEU A 130 6.823 6.576 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.908 9.288 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.390 8.985 4.046 1.00 0.00 H new ATOM 0 HG LEU A 130 5.611 10.013 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.807 8.398 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.972 8.495 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.020 7.115 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.533 8.798 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.782 7.534 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.231 9.190 7.576 1.00 0.00 H new ATOM 1436 N ILE A 131 9.704 7.319 3.814 1.00 0.00 N ATOM 1437 CA ILE A 131 10.533 6.988 2.660 1.00 0.00 C ATOM 1438 C ILE A 131 10.808 5.492 2.606 1.00 0.00 C ATOM 1439 O ILE A 131 10.584 4.852 1.577 1.00 0.00 O ATOM 1440 CB ILE A 131 11.878 7.744 2.664 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.653 9.259 2.753 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.672 7.393 1.413 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.712 9.984 3.556 1.00 0.00 C ATOM 0 H ILE A 131 10.132 7.970 4.473 1.00 0.00 H new ATOM 0 HA ILE A 131 9.970 7.297 1.779 1.00 0.00 H new ATOM 0 HB ILE A 131 12.447 7.438 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.626 9.673 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.677 9.447 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.621 7.930 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.862 6.320 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.102 7.678 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.487 11.050 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.724 9.597 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.688 9.827 3.097 1.00 0.00 H new ATOM 1455 N GLU A 132 11.283 4.933 3.720 1.00 0.00 N ATOM 1456 CA GLU A 132 11.572 3.503 3.792 1.00 0.00 C ATOM 1457 C GLU A 132 10.335 2.690 3.413 1.00 0.00 C ATOM 1458 O GLU A 132 10.449 1.572 2.916 1.00 0.00 O ATOM 1459 CB GLU A 132 12.042 3.120 5.195 1.00 0.00 C ATOM 1460 CG GLU A 132 12.897 1.862 5.230 1.00 0.00 C ATOM 1461 CD GLU A 132 13.112 1.326 6.635 1.00 0.00 C ATOM 1462 OE1 GLU A 132 12.621 1.949 7.603 1.00 0.00 O ATOM 1463 OE2 GLU A 132 13.775 0.276 6.770 1.00 0.00 O ATOM 0 H GLU A 132 11.474 5.447 4.580 1.00 0.00 H new ATOM 0 HA GLU A 132 12.370 3.279 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.612 3.948 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.171 2.975 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 132 12.423 1.091 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.865 2.075 4.777 1.00 0.00 H new ATOM 1470 N ALA A 133 9.153 3.265 3.648 1.00 0.00 N ATOM 1471 CA ALA A 133 7.899 2.601 3.325 1.00 0.00 C ATOM 1472 C ALA A 133 7.741 2.430 1.827 1.00 0.00 C ATOM 1473 O ALA A 133 7.591 1.311 1.333 1.00 0.00 O ATOM 1474 CB ALA A 133 6.726 3.387 3.883 1.00 0.00 C ATOM 0 H ALA A 133 9.044 4.191 4.062 1.00 0.00 H new ATOM 0 HA ALA A 133 7.916 1.612 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.795 2.878 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.820 3.461 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.720 4.387 3.450 1.00 0.00 H new ATOM 1480 N TYR A 134 7.775 3.543 1.111 1.00 0.00 N ATOM 1481 CA TYR A 134 7.635 3.507 -0.341 1.00 0.00 C ATOM 1482 C TYR A 134 8.861 2.870 -0.988 1.00 0.00 C ATOM 1483 O TYR A 134 8.760 2.254 -2.051 1.00 0.00 O ATOM 1484 CB TYR A 134 7.408 4.913 -0.900 1.00 0.00 C ATOM 1485 CG TYR A 134 5.947 5.271 -1.063 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.140 5.510 0.045 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.373 5.379 -2.324 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.808 5.844 -0.102 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.041 5.714 -2.477 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.262 5.946 -1.366 1.00 0.00 C ATOM 1491 OH TYR A 134 1.936 6.286 -1.521 1.00 0.00 O ATOM 0 H TYR A 134 7.897 4.476 1.505 1.00 0.00 H new ATOM 0 HA TYR A 134 6.764 2.897 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.880 5.639 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 134 7.904 4.995 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.562 5.433 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 134 5.978 5.198 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.195 6.025 0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.613 5.794 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 134 1.715 6.314 -2.475 1.00 0.00 H new ATOM 1501 N GLU A 135 10.016 3.005 -0.337 1.00 0.00 N ATOM 1502 CA GLU A 135 11.252 2.427 -0.849 1.00 0.00 C ATOM 1503 C GLU A 135 11.295 0.922 -0.602 1.00 0.00 C ATOM 1504 O GLU A 135 11.961 0.189 -1.333 1.00 0.00 O ATOM 1505 CB GLU A 135 12.467 3.086 -0.198 1.00 0.00 C ATOM 1506 CG GLU A 135 13.629 3.281 -1.155 1.00 0.00 C ATOM 1507 CD GLU A 135 14.306 1.974 -1.520 1.00 0.00 C ATOM 1508 OE1 GLU A 135 14.914 1.347 -0.626 1.00 0.00 O ATOM 1509 OE2 GLU A 135 14.224 1.573 -2.700 1.00 0.00 O ATOM 0 H GLU A 135 10.119 3.509 0.544 1.00 0.00 H new ATOM 0 HA GLU A 135 11.280 2.608 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.173 4.054 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.796 2.475 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.270 3.767 -2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 135 14.360 3.951 -0.702 1.00 0.00 H new ATOM 1516 N ALA A 136 10.581 0.466 0.431 1.00 0.00 N ATOM 1517 CA ALA A 136 10.545 -0.955 0.766 1.00 0.00 C ATOM 1518 C ALA A 136 9.569 -1.702 -0.135 1.00 0.00 C ATOM 1519 O ALA A 136 9.804 -2.855 -0.502 1.00 0.00 O ATOM 1520 CB ALA A 136 10.169 -1.142 2.228 1.00 0.00 C ATOM 0 H ALA A 136 10.023 1.059 1.046 1.00 0.00 H new ATOM 0 HA ALA A 136 11.540 -1.370 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 136 10.146 -2.206 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.906 -0.646 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.185 -0.709 2.409 1.00 0.00 H new ATOM 1526 N SER A 137 8.475 -1.033 -0.492 1.00 0.00 N ATOM 1527 CA SER A 137 7.454 -1.625 -1.353 1.00 0.00 C ATOM 1528 C SER A 137 7.929 -1.692 -2.805 1.00 0.00 C ATOM 1529 O SER A 137 7.545 -2.596 -3.548 1.00 0.00 O ATOM 1530 CB SER A 137 6.155 -0.821 -1.260 1.00 0.00 C ATOM 1531 OG SER A 137 5.832 -0.529 0.089 1.00 0.00 O ATOM 0 H SER A 137 8.273 -0.078 -0.197 1.00 0.00 H new ATOM 0 HA SER A 137 7.269 -2.643 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.257 0.107 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.342 -1.383 -1.719 1.00 0.00 H new ATOM 0 HG SER A 137 5.990 -1.322 0.642 1.00 0.00 H new ATOM 1537 N LYS A 138 8.765 -0.730 -3.204 1.00 0.00 N ATOM 1538 CA LYS A 138 9.294 -0.683 -4.567 1.00 0.00 C ATOM 1539 C LYS A 138 10.034 -1.975 -4.922 1.00 0.00 C ATOM 1540 O LYS A 138 9.906 -2.476 -6.038 1.00 0.00 O ATOM 1541 CB LYS A 138 10.234 0.516 -4.732 1.00 0.00 C ATOM 1542 CG LYS A 138 10.554 0.851 -6.181 1.00 0.00 C ATOM 1543 CD LYS A 138 9.690 1.993 -6.694 1.00 0.00 C ATOM 1544 CE LYS A 138 9.996 2.316 -8.149 1.00 0.00 C ATOM 1545 NZ LYS A 138 9.462 1.279 -9.078 1.00 0.00 N ATOM 0 H LYS A 138 9.089 0.026 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 138 8.449 -0.575 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.782 1.388 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.164 0.312 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.606 1.122 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.399 -0.031 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.638 1.728 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.856 2.879 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 138 9.567 3.285 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.075 2.401 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 9.678 1.547 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 9.903 0.362 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 8.432 1.204 -8.959 1.00 0.00 H new ATOM 1559 N THR A 139 10.808 -2.496 -3.966 1.00 0.00 N ATOM 1560 CA THR A 139 11.585 -3.727 -4.160 1.00 0.00 C ATOM 1561 C THR A 139 10.767 -4.818 -4.856 1.00 0.00 C ATOM 1562 O THR A 139 9.944 -5.485 -4.226 1.00 0.00 O ATOM 1563 CB THR A 139 12.096 -4.250 -2.810 1.00 0.00 C ATOM 1564 OG1 THR A 139 12.159 -3.209 -1.853 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.469 -4.881 -2.889 1.00 0.00 C ATOM 0 H THR A 139 10.915 -2.081 -3.041 1.00 0.00 H new ATOM 0 HA THR A 139 12.429 -3.479 -4.803 1.00 0.00 H new ATOM 0 HB THR A 139 11.378 -5.015 -2.514 1.00 0.00 H new ATOM 0 HG1 THR A 139 11.297 -3.136 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.767 -5.228 -1.900 1.00 0.00 H new ATOM 0 HG22 THR A 139 13.442 -5.726 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 139 14.188 -4.144 -3.247 1.00 0.00 H new