USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 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 41 SER OG : rot 125:sc= 1.89 USER MOD Set 1.2: A 57 CYS SG : rot 106:sc= 0.776 USER MOD Single : A 8 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.154 (180deg=-1.13) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.621) USER MOD Single : A 25 TYR OH : rot -58:sc= 0.988 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 32 SER OG : rot -22:sc= -0.928 USER MOD Single : A 37 GLN : amide:sc= -13.3! C(o=-13!,f=-15!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= -2.9 (180deg=-3.18) USER MOD Single : A 68 GLN : amide:sc= -0.682 K(o=-0.68,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -13.989 6.302 6.434 1.00 0.00 N ATOM 63 CA ARG A 6 -13.777 4.849 6.169 1.00 0.00 C ATOM 64 C ARG A 6 -13.978 4.591 4.671 1.00 0.00 C ATOM 65 O ARG A 6 -14.544 5.404 3.965 1.00 0.00 O ATOM 66 CB ARG A 6 -14.805 4.036 6.967 1.00 0.00 C ATOM 67 CG ARG A 6 -14.977 4.645 8.371 1.00 0.00 C ATOM 68 CD ARG A 6 -15.681 3.637 9.308 1.00 0.00 C ATOM 69 NE ARG A 6 -16.776 4.327 10.069 1.00 0.00 N ATOM 70 CZ ARG A 6 -16.553 5.431 10.730 1.00 0.00 C ATOM 71 NH1 ARG A 6 -15.353 5.937 10.778 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.532 6.018 11.366 1.00 0.00 N ATOM 0 HA ARG A 6 -12.771 4.555 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.761 4.029 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.478 2.999 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.003 4.914 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.561 5.563 8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.094 2.813 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.959 3.207 10.002 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.714 3.925 10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.583 5.471 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.184 6.799 11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.468 5.614 11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.360 6.880 11.883 1.00 0.00 H new ATOM 86 N ASP A 7 -13.528 3.470 4.179 1.00 0.00 N ATOM 87 CA ASP A 7 -13.704 3.170 2.727 1.00 0.00 C ATOM 88 C ASP A 7 -15.089 2.555 2.502 1.00 0.00 C ATOM 89 O ASP A 7 -15.914 2.516 3.394 1.00 0.00 O ATOM 90 CB ASP A 7 -12.622 2.187 2.267 1.00 0.00 C ATOM 91 CG ASP A 7 -12.784 0.854 2.999 1.00 0.00 C ATOM 92 OD1 ASP A 7 -13.709 0.740 3.785 1.00 0.00 O ATOM 93 OD2 ASP A 7 -11.975 -0.029 2.764 1.00 0.00 O ATOM 0 H ASP A 7 -13.047 2.749 4.717 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.616 4.092 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.694 2.032 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.634 2.602 2.464 1.00 0.00 H new ATOM 98 N ASN A 8 -15.350 2.077 1.316 1.00 0.00 N ATOM 99 CA ASN A 8 -16.679 1.467 1.030 1.00 0.00 C ATOM 100 C ASN A 8 -16.837 0.176 1.837 1.00 0.00 C ATOM 101 O ASN A 8 -17.925 -0.348 1.982 1.00 0.00 O ATOM 102 CB ASN A 8 -16.774 1.158 -0.464 1.00 0.00 C ATOM 103 CG ASN A 8 -15.654 0.192 -0.850 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.832 -1.008 -0.817 1.00 0.00 O ATOM 105 ND2 ASN A 8 -14.493 0.672 -1.210 1.00 0.00 N ATOM 0 H ASN A 8 -14.698 2.083 0.531 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.471 2.161 1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.745 0.719 -0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.693 2.078 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.735 0.038 -1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.344 1.681 -1.237 1.00 0.00 H new ATOM 112 N ARG A 9 -15.760 -0.338 2.370 1.00 0.00 N ATOM 113 CA ARG A 9 -15.838 -1.591 3.178 1.00 0.00 C ATOM 114 C ARG A 9 -15.955 -1.220 4.659 1.00 0.00 C ATOM 115 O ARG A 9 -16.125 -2.069 5.511 1.00 0.00 O ATOM 116 CB ARG A 9 -14.556 -2.404 2.963 1.00 0.00 C ATOM 117 CG ARG A 9 -14.593 -3.117 1.599 1.00 0.00 C ATOM 118 CD ARG A 9 -15.573 -4.312 1.630 1.00 0.00 C ATOM 119 NE ARG A 9 -16.881 -3.887 1.049 1.00 0.00 N ATOM 120 CZ ARG A 9 -17.817 -4.770 0.823 1.00 0.00 C ATOM 121 NH1 ARG A 9 -17.612 -6.027 1.113 1.00 0.00 N ATOM 122 NH2 ARG A 9 -18.958 -4.399 0.310 1.00 0.00 N ATOM 0 H ARG A 9 -14.824 0.058 2.280 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.704 -2.179 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.688 -1.746 3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.446 -3.138 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.896 -2.413 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.594 -3.467 1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.164 -5.148 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.711 -4.658 2.654 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.044 -2.905 0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.721 -6.319 1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.342 -6.717 0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.121 -3.418 0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.687 -5.090 0.135 1.00 0.00 H new ATOM 136 N GLY A 10 -15.865 0.045 4.968 1.00 0.00 N ATOM 137 CA GLY A 10 -15.969 0.480 6.391 1.00 0.00 C ATOM 138 C GLY A 10 -14.607 0.331 7.079 1.00 0.00 C ATOM 139 O GLY A 10 -14.521 0.243 8.288 1.00 0.00 O ATOM 0 H GLY A 10 -15.724 0.798 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.301 1.517 6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.717 -0.119 6.911 1.00 0.00 H new ATOM 143 N ARG A 11 -13.540 0.303 6.319 1.00 0.00 N ATOM 144 CA ARG A 11 -12.185 0.164 6.934 1.00 0.00 C ATOM 145 C ARG A 11 -11.614 1.551 7.221 1.00 0.00 C ATOM 146 O ARG A 11 -11.754 2.457 6.428 1.00 0.00 O ATOM 147 CB ARG A 11 -11.218 -0.523 5.962 1.00 0.00 C ATOM 148 CG ARG A 11 -11.795 -1.854 5.420 1.00 0.00 C ATOM 149 CD ARG A 11 -11.298 -3.044 6.248 1.00 0.00 C ATOM 150 NE ARG A 11 -11.566 -4.299 5.495 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.084 -5.426 5.932 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.335 -5.433 7.001 1.00 0.00 N ATOM 153 NH2 ARG A 11 -11.336 -6.539 5.302 1.00 0.00 N ATOM 0 H ARG A 11 -13.549 0.370 5.301 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.289 -0.424 7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.004 0.146 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.272 -0.716 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.884 -1.819 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.503 -1.984 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.231 -2.945 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.803 -3.069 7.214 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.124 -4.276 4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.132 -4.560 7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.953 -6.312 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.914 -6.530 4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.955 -7.419 5.649 1.00 0.00 H new ATOM 167 N ILE A 12 -10.924 1.719 8.314 1.00 0.00 N ATOM 168 CA ILE A 12 -10.306 3.046 8.594 1.00 0.00 C ATOM 169 C ILE A 12 -8.977 3.123 7.825 1.00 0.00 C ATOM 170 O ILE A 12 -8.085 2.321 8.031 1.00 0.00 O ATOM 171 CB ILE A 12 -10.065 3.190 10.107 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.408 3.490 10.824 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.045 4.309 10.377 1.00 0.00 C ATOM 174 CD1 ILE A 12 -11.693 5.003 10.858 1.00 0.00 C ATOM 0 H ILE A 12 -10.762 1.002 9.021 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.963 3.855 8.274 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.660 2.256 10.497 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.220 2.975 10.311 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.376 3.100 11.841 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.882 4.402 11.451 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.102 4.068 9.887 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.427 5.252 9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.640 5.183 11.366 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.891 5.512 11.393 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.749 5.386 9.839 1.00 0.00 H new ATOM 186 N LEU A 13 -8.841 4.071 6.933 1.00 0.00 N ATOM 187 CA LEU A 13 -7.572 4.188 6.146 1.00 0.00 C ATOM 188 C LEU A 13 -6.599 5.114 6.876 1.00 0.00 C ATOM 189 O LEU A 13 -6.994 6.080 7.497 1.00 0.00 O ATOM 190 CB LEU A 13 -7.867 4.776 4.757 1.00 0.00 C ATOM 191 CG LEU A 13 -8.971 3.954 4.043 1.00 0.00 C ATOM 192 CD1 LEU A 13 -10.368 4.561 4.317 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.699 3.941 2.527 1.00 0.00 C ATOM 0 H LEU A 13 -9.552 4.769 6.714 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.133 3.196 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.184 5.814 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.958 4.776 4.155 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.955 2.935 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.128 3.969 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.563 4.556 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.398 5.586 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.474 3.364 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.704 4.963 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.727 3.487 2.336 1.00 0.00 H new ATOM 205 N LYS A 14 -5.323 4.832 6.799 1.00 0.00 N ATOM 206 CA LYS A 14 -4.325 5.707 7.484 1.00 0.00 C ATOM 207 C LYS A 14 -3.929 6.845 6.542 1.00 0.00 C ATOM 208 O LYS A 14 -4.397 6.931 5.426 1.00 0.00 O ATOM 209 CB LYS A 14 -3.072 4.898 7.856 1.00 0.00 C ATOM 210 CG LYS A 14 -3.468 3.502 8.393 1.00 0.00 C ATOM 211 CD LYS A 14 -2.473 3.043 9.478 1.00 0.00 C ATOM 212 CE LYS A 14 -2.906 3.593 10.839 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.220 2.996 11.207 1.00 0.00 N ATOM 0 H LYS A 14 -4.931 4.037 6.294 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.769 6.110 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.430 4.789 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.496 5.434 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.476 3.536 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.483 2.781 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.432 1.954 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.469 3.392 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.159 3.355 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.984 4.679 10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.278 2.895 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.987 3.615 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.313 2.061 10.762 1.00 0.00 H new ATOM 227 N THR A 15 -3.071 7.719 6.984 1.00 0.00 N ATOM 228 CA THR A 15 -2.644 8.852 6.109 1.00 0.00 C ATOM 229 C THR A 15 -2.044 8.313 4.809 1.00 0.00 C ATOM 230 O THR A 15 -1.259 7.390 4.818 1.00 0.00 O ATOM 231 CB THR A 15 -1.589 9.712 6.820 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.096 10.140 8.076 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.251 10.941 5.959 1.00 0.00 C ATOM 0 H THR A 15 -2.646 7.701 7.911 1.00 0.00 H new ATOM 0 HA THR A 15 -3.521 9.461 5.889 1.00 0.00 H new ATOM 0 HB THR A 15 -0.686 9.120 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.423 10.688 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.502 11.547 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.859 10.614 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.152 11.534 5.802 1.00 0.00 H new ATOM 241 N GLY A 16 -2.390 8.901 3.693 1.00 0.00 N ATOM 242 CA GLY A 16 -1.822 8.450 2.385 1.00 0.00 C ATOM 243 C GLY A 16 -2.792 7.499 1.684 1.00 0.00 C ATOM 244 O GLY A 16 -3.194 7.726 0.561 1.00 0.00 O ATOM 0 H GLY A 16 -3.046 9.680 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.626 9.313 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.867 7.951 2.548 1.00 0.00 H new ATOM 248 N GLU A 17 -3.165 6.436 2.332 1.00 0.00 N ATOM 249 CA GLU A 17 -4.103 5.465 1.702 1.00 0.00 C ATOM 250 C GLU A 17 -5.314 6.206 1.121 1.00 0.00 C ATOM 251 O GLU A 17 -5.735 7.230 1.621 1.00 0.00 O ATOM 252 CB GLU A 17 -4.559 4.458 2.768 1.00 0.00 C ATOM 253 CG GLU A 17 -3.486 3.376 2.988 1.00 0.00 C ATOM 254 CD GLU A 17 -2.388 3.899 3.917 1.00 0.00 C ATOM 255 OE1 GLU A 17 -2.450 5.059 4.285 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.500 3.126 4.245 1.00 0.00 O ATOM 0 H GLU A 17 -2.861 6.194 3.275 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.601 4.938 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.756 4.978 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.495 3.992 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.942 2.484 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.054 3.083 2.031 1.00 0.00 H new ATOM 263 N SER A 18 -5.867 5.682 0.058 1.00 0.00 N ATOM 264 CA SER A 18 -7.047 6.327 -0.593 1.00 0.00 C ATOM 265 C SER A 18 -7.807 5.268 -1.397 1.00 0.00 C ATOM 266 O SER A 18 -7.247 4.258 -1.779 1.00 0.00 O ATOM 267 CB SER A 18 -6.564 7.434 -1.531 1.00 0.00 C ATOM 268 OG SER A 18 -7.687 8.025 -2.174 1.00 0.00 O ATOM 0 H SER A 18 -5.547 4.824 -0.392 1.00 0.00 H new ATOM 0 HA SER A 18 -7.703 6.757 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.013 8.188 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.878 7.025 -2.273 1.00 0.00 H new ATOM 0 HG SER A 18 -7.383 8.737 -2.775 1.00 0.00 H new ATOM 274 N GLN A 19 -9.079 5.478 -1.658 1.00 0.00 N ATOM 275 CA GLN A 19 -9.865 4.464 -2.435 1.00 0.00 C ATOM 276 C GLN A 19 -9.989 4.890 -3.900 1.00 0.00 C ATOM 277 O GLN A 19 -10.101 6.055 -4.220 1.00 0.00 O ATOM 278 CB GLN A 19 -11.264 4.306 -1.820 1.00 0.00 C ATOM 279 CG GLN A 19 -12.139 5.517 -2.154 1.00 0.00 C ATOM 280 CD GLN A 19 -13.418 5.462 -1.318 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.676 6.340 -0.519 1.00 0.00 O ATOM 282 NE2 GLN A 19 -14.237 4.456 -1.471 1.00 0.00 N ATOM 0 H GLN A 19 -9.603 6.303 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.341 3.509 -2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.732 3.397 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.182 4.197 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.596 6.440 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.385 5.521 -3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.020 3.719 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.094 4.407 -0.919 1.00 0.00 H new ATOM 291 N ARG A 20 -9.980 3.933 -4.786 1.00 0.00 N ATOM 292 CA ARG A 20 -10.107 4.229 -6.242 1.00 0.00 C ATOM 293 C ARG A 20 -11.588 4.229 -6.624 1.00 0.00 C ATOM 294 O ARG A 20 -12.383 3.512 -6.051 1.00 0.00 O ATOM 295 CB ARG A 20 -9.390 3.133 -7.033 1.00 0.00 C ATOM 296 CG ARG A 20 -9.294 3.504 -8.526 1.00 0.00 C ATOM 297 CD ARG A 20 -8.063 4.381 -8.784 1.00 0.00 C ATOM 298 NE ARG A 20 -8.058 4.791 -10.217 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.245 5.723 -10.629 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.447 6.314 -9.784 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.235 6.065 -11.888 1.00 0.00 N ATOM 0 H ARG A 20 -9.889 2.943 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.667 5.201 -6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.390 2.981 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.925 2.190 -6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.235 2.598 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.196 4.033 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.084 5.260 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.152 3.832 -8.545 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.692 4.341 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.458 6.047 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.811 7.043 -10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.862 5.604 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.600 6.794 -12.213 1.00 0.00 H new ATOM 315 N LYS A 21 -11.962 5.005 -7.598 1.00 0.00 N ATOM 316 CA LYS A 21 -13.387 5.022 -8.019 1.00 0.00 C ATOM 317 C LYS A 21 -13.778 3.605 -8.429 1.00 0.00 C ATOM 318 O LYS A 21 -14.940 3.252 -8.473 1.00 0.00 O ATOM 319 CB LYS A 21 -13.564 5.958 -9.216 1.00 0.00 C ATOM 320 CG LYS A 21 -13.242 7.400 -8.806 1.00 0.00 C ATOM 321 CD LYS A 21 -11.726 7.563 -8.553 1.00 0.00 C ATOM 322 CE LYS A 21 -11.305 9.005 -8.856 1.00 0.00 C ATOM 323 NZ LYS A 21 -12.284 9.945 -8.244 1.00 0.00 N ATOM 0 H LYS A 21 -11.345 5.627 -8.120 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.014 5.372 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.909 5.648 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.587 5.897 -9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.562 8.087 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.798 7.661 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.491 7.315 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.166 6.871 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.307 9.195 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.257 9.163 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.818 10.855 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.079 10.093 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.640 9.544 -7.353 1.00 0.00 H new ATOM 337 N ASP A 22 -12.803 2.793 -8.743 1.00 0.00 N ATOM 338 CA ASP A 22 -13.093 1.393 -9.169 1.00 0.00 C ATOM 339 C ASP A 22 -13.138 0.461 -7.951 1.00 0.00 C ATOM 340 O ASP A 22 -13.572 -0.670 -8.051 1.00 0.00 O ATOM 341 CB ASP A 22 -12.004 0.936 -10.141 1.00 0.00 C ATOM 342 CG ASP A 22 -12.133 1.730 -11.442 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.230 2.181 -11.730 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.135 1.875 -12.128 1.00 0.00 O ATOM 0 H ASP A 22 -11.814 3.041 -8.722 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.065 1.357 -9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.018 1.090 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.101 -0.131 -10.340 1.00 0.00 H new ATOM 349 N GLY A 23 -12.712 0.926 -6.799 1.00 0.00 N ATOM 350 CA GLY A 23 -12.749 0.072 -5.567 1.00 0.00 C ATOM 351 C GLY A 23 -11.335 -0.350 -5.169 1.00 0.00 C ATOM 352 O GLY A 23 -11.025 -0.465 -4.000 1.00 0.00 O ATOM 0 H GLY A 23 -12.339 1.865 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.215 0.622 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.362 -0.811 -5.747 1.00 0.00 H new ATOM 356 N ARG A 24 -10.468 -0.585 -6.117 1.00 0.00 N ATOM 357 CA ARG A 24 -9.083 -1.000 -5.745 1.00 0.00 C ATOM 358 C ARG A 24 -8.458 0.095 -4.877 1.00 0.00 C ATOM 359 O ARG A 24 -8.710 1.267 -5.063 1.00 0.00 O ATOM 360 CB ARG A 24 -8.223 -1.248 -6.999 1.00 0.00 C ATOM 361 CG ARG A 24 -8.566 -0.261 -8.112 1.00 0.00 C ATOM 362 CD ARG A 24 -7.631 -0.505 -9.296 1.00 0.00 C ATOM 363 NE ARG A 24 -7.746 -1.927 -9.727 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.292 -2.305 -10.891 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.724 -1.446 -11.694 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.407 -3.553 -11.253 1.00 0.00 N ATOM 0 H ARG A 24 -10.653 -0.510 -7.117 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.127 -1.936 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.168 -1.157 -6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.378 -2.267 -7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.604 -0.386 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.461 0.763 -7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.888 0.159 -10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.602 -0.280 -9.015 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.183 -2.610 -9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.632 -0.470 -11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.372 -1.751 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.850 -4.227 -10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.054 -3.855 -12.161 1.00 0.00 H new ATOM 380 N TYR A 25 -7.666 -0.282 -3.910 1.00 0.00 N ATOM 381 CA TYR A 25 -7.047 0.732 -3.013 1.00 0.00 C ATOM 382 C TYR A 25 -5.695 1.173 -3.570 1.00 0.00 C ATOM 383 O TYR A 25 -5.107 0.521 -4.411 1.00 0.00 O ATOM 384 CB TYR A 25 -6.846 0.131 -1.618 1.00 0.00 C ATOM 385 CG TYR A 25 -8.170 -0.350 -1.054 1.00 0.00 C ATOM 386 CD1 TYR A 25 -9.230 0.550 -0.878 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.337 -1.699 -0.703 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.452 0.105 -0.359 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.564 -2.142 -0.184 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.618 -1.239 -0.014 1.00 0.00 C ATOM 391 OH TYR A 25 -11.823 -1.674 0.498 1.00 0.00 O ATOM 0 H TYR A 25 -7.421 -1.250 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.708 1.596 -2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.143 -0.700 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.409 0.876 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.104 1.589 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.522 -2.396 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.267 0.801 -0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.694 -3.180 0.084 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.034 -1.170 1.311 1.00 0.00 H new ATOM 401 N LEU A 26 -5.205 2.287 -3.095 1.00 0.00 N ATOM 402 CA LEU A 26 -3.894 2.812 -3.569 1.00 0.00 C ATOM 403 C LEU A 26 -3.189 3.547 -2.418 1.00 0.00 C ATOM 404 O LEU A 26 -3.798 4.267 -1.654 1.00 0.00 O ATOM 405 CB LEU A 26 -4.132 3.779 -4.752 1.00 0.00 C ATOM 406 CG LEU A 26 -2.905 4.720 -4.963 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.676 4.967 -6.460 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.135 6.069 -4.245 1.00 0.00 C ATOM 0 H LEU A 26 -5.665 2.862 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.263 1.988 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.317 3.207 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.024 4.376 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.024 4.237 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.817 5.625 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.487 4.017 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.561 5.434 -6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.271 6.716 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.026 6.549 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.270 5.895 -3.178 1.00 0.00 H new ATOM 420 N TYR A 27 -1.895 3.374 -2.319 1.00 0.00 N ATOM 421 CA TYR A 27 -1.096 4.059 -1.258 1.00 0.00 C ATOM 422 C TYR A 27 0.157 4.636 -1.906 1.00 0.00 C ATOM 423 O TYR A 27 0.637 4.131 -2.902 1.00 0.00 O ATOM 424 CB TYR A 27 -0.689 3.054 -0.179 1.00 0.00 C ATOM 425 CG TYR A 27 0.163 3.733 0.873 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.422 4.623 1.774 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.532 3.449 0.965 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.350 5.232 2.767 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.308 4.064 1.960 1.00 0.00 C ATOM 430 CZ TYR A 27 1.714 4.952 2.863 1.00 0.00 C ATOM 431 OH TYR A 27 2.474 5.553 3.848 1.00 0.00 O ATOM 0 H TYR A 27 -1.349 2.776 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.689 4.849 -0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.578 2.626 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.136 2.230 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.477 4.843 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.989 2.758 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.109 5.920 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.365 3.851 2.028 1.00 0.00 H new ATOM 0 HH TYR A 27 3.403 5.249 3.776 1.00 0.00 H new ATOM 441 N LYS A 28 0.685 5.694 -1.355 1.00 0.00 N ATOM 442 CA LYS A 28 1.911 6.330 -1.928 1.00 0.00 C ATOM 443 C LYS A 28 3.024 6.313 -0.882 1.00 0.00 C ATOM 444 O LYS A 28 2.799 6.543 0.289 1.00 0.00 O ATOM 445 CB LYS A 28 1.593 7.790 -2.295 1.00 0.00 C ATOM 446 CG LYS A 28 2.859 8.511 -2.802 1.00 0.00 C ATOM 447 CD LYS A 28 2.574 10.007 -2.965 1.00 0.00 C ATOM 448 CE LYS A 28 3.900 10.767 -3.063 1.00 0.00 C ATOM 449 NZ LYS A 28 3.637 12.200 -3.366 1.00 0.00 N ATOM 0 H LYS A 28 0.316 6.152 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 28 2.230 5.782 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.820 7.817 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.195 8.311 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.679 8.362 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.174 8.086 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.976 10.180 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.994 10.373 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.451 10.679 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.524 10.329 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.540 12.712 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.129 12.276 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.058 12.615 -2.608 1.00 0.00 H new ATOM 463 N TYR A 29 4.236 6.087 -1.314 1.00 0.00 N ATOM 464 CA TYR A 29 5.397 6.112 -0.370 1.00 0.00 C ATOM 465 C TYR A 29 6.562 6.781 -1.098 1.00 0.00 C ATOM 466 O TYR A 29 6.539 6.927 -2.304 1.00 0.00 O ATOM 467 CB TYR A 29 5.778 4.695 0.089 1.00 0.00 C ATOM 468 CG TYR A 29 6.483 3.938 -1.008 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.742 3.365 -2.045 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.876 3.792 -0.975 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.392 2.650 -3.055 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.526 3.078 -1.981 1.00 0.00 C ATOM 473 CZ TYR A 29 7.787 2.504 -3.023 1.00 0.00 C ATOM 474 OH TYR A 29 8.433 1.799 -4.018 1.00 0.00 O ATOM 0 H TYR A 29 4.475 5.885 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 29 5.136 6.669 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.423 4.755 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.881 4.154 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.668 3.475 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.446 4.232 -0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.821 2.210 -3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.600 2.968 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 29 9.397 1.796 -3.843 1.00 0.00 H new ATOM 484 N ILE A 30 7.564 7.217 -0.384 1.00 0.00 N ATOM 485 CA ILE A 30 8.717 7.909 -1.044 1.00 0.00 C ATOM 486 C ILE A 30 9.908 6.957 -1.146 1.00 0.00 C ATOM 487 O ILE A 30 10.211 6.227 -0.224 1.00 0.00 O ATOM 488 CB ILE A 30 9.112 9.122 -0.199 1.00 0.00 C ATOM 489 CG1 ILE A 30 7.878 10.013 0.028 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.208 9.919 -0.913 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.283 10.500 -1.306 1.00 0.00 C ATOM 0 H ILE A 30 7.637 7.126 0.629 1.00 0.00 H new ATOM 0 HA ILE A 30 8.427 8.225 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 30 9.493 8.783 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.123 9.457 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.155 10.872 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.485 10.781 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.082 9.284 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.839 10.260 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.413 11.127 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.031 11.078 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.983 9.641 -1.906 1.00 0.00 H new ATOM 503 N ASP A 31 10.597 6.969 -2.256 1.00 0.00 N ATOM 504 CA ASP A 31 11.780 6.078 -2.406 1.00 0.00 C ATOM 505 C ASP A 31 12.989 6.776 -1.778 1.00 0.00 C ATOM 506 O ASP A 31 12.981 7.972 -1.562 1.00 0.00 O ATOM 507 CB ASP A 31 12.049 5.805 -3.888 1.00 0.00 C ATOM 508 CG ASP A 31 10.913 4.963 -4.471 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.962 4.709 -3.749 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.013 4.587 -5.628 1.00 0.00 O ATOM 0 H ASP A 31 10.391 7.557 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 31 11.594 5.126 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.133 6.746 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.999 5.283 -4.005 1.00 0.00 H new ATOM 515 N SER A 32 14.020 6.043 -1.476 1.00 0.00 N ATOM 516 CA SER A 32 15.227 6.662 -0.854 1.00 0.00 C ATOM 517 C SER A 32 15.853 7.669 -1.818 1.00 0.00 C ATOM 518 O SER A 32 16.830 8.320 -1.499 1.00 0.00 O ATOM 519 CB SER A 32 16.244 5.570 -0.550 1.00 0.00 C ATOM 520 OG SER A 32 16.798 5.094 -1.771 1.00 0.00 O ATOM 0 H SER A 32 14.082 5.037 -1.633 1.00 0.00 H new ATOM 0 HA SER A 32 14.936 7.174 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.033 5.960 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.767 4.752 -0.010 1.00 0.00 H new ATOM 0 HG SER A 32 16.188 5.300 -2.509 1.00 0.00 H new ATOM 526 N PHE A 33 15.315 7.786 -3.002 1.00 0.00 N ATOM 527 CA PHE A 33 15.894 8.732 -4.005 1.00 0.00 C ATOM 528 C PHE A 33 15.068 10.018 -4.014 1.00 0.00 C ATOM 529 O PHE A 33 15.500 11.040 -4.503 1.00 0.00 O ATOM 530 CB PHE A 33 15.862 8.063 -5.385 1.00 0.00 C ATOM 531 CG PHE A 33 16.099 6.574 -5.215 1.00 0.00 C ATOM 532 CD1 PHE A 33 17.277 6.121 -4.608 1.00 0.00 C ATOM 533 CD2 PHE A 33 15.137 5.651 -5.650 1.00 0.00 C ATOM 534 CE1 PHE A 33 17.495 4.749 -4.440 1.00 0.00 C ATOM 535 CE2 PHE A 33 15.355 4.280 -5.479 1.00 0.00 C ATOM 536 CZ PHE A 33 16.535 3.828 -4.876 1.00 0.00 C ATOM 0 H PHE A 33 14.497 7.267 -3.321 1.00 0.00 H new ATOM 0 HA PHE A 33 16.925 8.979 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.900 8.239 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.626 8.495 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.017 6.831 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.228 5.999 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.405 4.400 -3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.613 3.570 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.705 2.769 -4.747 1.00 0.00 H new ATOM 546 N GLY A 34 13.890 9.978 -3.454 1.00 0.00 N ATOM 547 CA GLY A 34 13.035 11.199 -3.397 1.00 0.00 C ATOM 548 C GLY A 34 11.986 11.163 -4.499 1.00 0.00 C ATOM 549 O GLY A 34 11.158 12.046 -4.599 1.00 0.00 O ATOM 0 H GLY A 34 13.480 9.146 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.548 11.265 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.654 12.090 -3.504 1.00 0.00 H new ATOM 553 N GLU A 35 11.978 10.150 -5.324 1.00 0.00 N ATOM 554 CA GLU A 35 10.936 10.102 -6.383 1.00 0.00 C ATOM 555 C GLU A 35 9.656 9.574 -5.732 1.00 0.00 C ATOM 556 O GLU A 35 9.725 8.913 -4.716 1.00 0.00 O ATOM 557 CB GLU A 35 11.377 9.184 -7.530 1.00 0.00 C ATOM 558 CG GLU A 35 11.759 7.803 -6.997 1.00 0.00 C ATOM 559 CD GLU A 35 11.921 6.838 -8.177 1.00 0.00 C ATOM 560 OE1 GLU A 35 11.696 7.261 -9.299 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.271 5.693 -7.937 1.00 0.00 O ATOM 0 H GLU A 35 12.635 9.370 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 35 10.771 11.092 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.571 9.089 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.226 9.626 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.688 7.863 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.991 7.438 -6.315 1.00 0.00 H new ATOM 568 N PRO A 36 8.493 9.855 -6.268 1.00 0.00 N ATOM 569 CA PRO A 36 7.231 9.382 -5.667 1.00 0.00 C ATOM 570 C PRO A 36 6.789 8.060 -6.287 1.00 0.00 C ATOM 571 O PRO A 36 6.932 7.851 -7.477 1.00 0.00 O ATOM 572 CB PRO A 36 6.269 10.506 -6.014 1.00 0.00 C ATOM 573 CG PRO A 36 6.703 10.958 -7.378 1.00 0.00 C ATOM 574 CD PRO A 36 8.212 10.629 -7.495 1.00 0.00 C ATOM 0 HA PRO A 36 7.300 9.183 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.236 10.158 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.327 11.318 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.134 10.447 -8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.529 12.026 -7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.428 10.050 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.817 11.534 -7.546 1.00 0.00 H new ATOM 582 N GLN A 37 6.266 7.165 -5.495 1.00 0.00 N ATOM 583 CA GLN A 37 5.816 5.842 -6.031 1.00 0.00 C ATOM 584 C GLN A 37 4.397 5.565 -5.550 1.00 0.00 C ATOM 585 O GLN A 37 3.971 6.061 -4.529 1.00 0.00 O ATOM 586 CB GLN A 37 6.752 4.737 -5.512 1.00 0.00 C ATOM 587 CG GLN A 37 7.984 4.633 -6.410 1.00 0.00 C ATOM 588 CD GLN A 37 8.744 5.955 -6.380 1.00 0.00 C ATOM 589 OE1 GLN A 37 9.168 6.449 -7.407 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.928 6.559 -5.238 1.00 0.00 N ATOM 0 H GLN A 37 6.129 7.291 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 37 5.840 5.859 -7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.055 4.957 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.225 3.783 -5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.628 3.822 -6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.685 4.396 -7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.571 6.143 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.428 7.447 -5.206 1.00 0.00 H new ATOM 599 N PHE A 38 3.666 4.766 -6.280 1.00 0.00 N ATOM 600 CA PHE A 38 2.271 4.432 -5.876 1.00 0.00 C ATOM 601 C PHE A 38 2.089 2.916 -5.976 1.00 0.00 C ATOM 602 O PHE A 38 2.691 2.265 -6.806 1.00 0.00 O ATOM 603 CB PHE A 38 1.287 5.126 -6.819 1.00 0.00 C ATOM 604 CG PHE A 38 1.416 6.629 -6.697 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.313 7.325 -7.519 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.630 7.328 -5.773 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.423 8.719 -7.418 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.743 8.723 -5.671 1.00 0.00 C ATOM 609 CZ PHE A 38 1.638 9.417 -6.494 1.00 0.00 C ATOM 0 H PHE A 38 3.979 4.327 -7.146 1.00 0.00 H new ATOM 0 HA PHE A 38 2.085 4.767 -4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.480 4.820 -7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.268 4.821 -6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.920 6.787 -8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.063 6.794 -5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.113 9.254 -8.053 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.139 9.262 -4.957 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.722 10.491 -6.416 1.00 0.00 H new ATOM 619 N VAL A 39 1.269 2.349 -5.126 1.00 0.00 N ATOM 620 CA VAL A 39 1.035 0.872 -5.143 1.00 0.00 C ATOM 621 C VAL A 39 -0.465 0.605 -5.324 1.00 0.00 C ATOM 622 O VAL A 39 -1.288 1.440 -5.009 1.00 0.00 O ATOM 623 CB VAL A 39 1.502 0.291 -3.803 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.018 0.095 -3.813 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.140 1.259 -2.683 1.00 0.00 C ATOM 0 H VAL A 39 0.745 2.854 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 39 1.586 0.408 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 39 1.014 -0.671 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.338 -0.318 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.291 -0.592 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.508 1.055 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.470 0.850 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.631 2.217 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.060 1.403 -2.662 1.00 0.00 H new ATOM 635 N TYR A 40 -0.823 -0.551 -5.834 1.00 0.00 N ATOM 636 CA TYR A 40 -2.273 -0.883 -6.043 1.00 0.00 C ATOM 637 C TYR A 40 -2.579 -2.252 -5.442 1.00 0.00 C ATOM 638 O TYR A 40 -1.707 -3.084 -5.290 1.00 0.00 O ATOM 639 CB TYR A 40 -2.581 -0.926 -7.539 1.00 0.00 C ATOM 640 CG TYR A 40 -2.553 0.469 -8.108 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.331 1.078 -8.412 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.753 1.153 -8.338 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.307 2.371 -8.949 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.732 2.444 -8.873 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.509 3.055 -9.180 1.00 0.00 C ATOM 646 OH TYR A 40 -2.488 4.330 -9.706 1.00 0.00 O ATOM 0 H TYR A 40 -0.171 -1.283 -6.116 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.883 -0.120 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.851 -1.552 -8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.560 -1.376 -7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.406 0.551 -8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.696 0.682 -8.102 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.364 2.841 -9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.658 2.971 -9.050 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.406 4.659 -9.804 1.00 0.00 H new ATOM 656 N SER A 41 -3.814 -2.489 -5.105 1.00 0.00 N ATOM 657 CA SER A 41 -4.194 -3.802 -4.516 1.00 0.00 C ATOM 658 C SER A 41 -5.712 -3.858 -4.350 1.00 0.00 C ATOM 659 O SER A 41 -6.351 -2.865 -4.062 1.00 0.00 O ATOM 660 CB SER A 41 -3.537 -3.954 -3.146 1.00 0.00 C ATOM 661 OG SER A 41 -3.950 -5.180 -2.559 1.00 0.00 O ATOM 0 H SER A 41 -4.582 -1.826 -5.213 1.00 0.00 H new ATOM 0 HA SER A 41 -3.862 -4.606 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.452 -3.933 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.814 -3.119 -2.503 1.00 0.00 H new ATOM 0 HG SER A 41 -3.161 -5.713 -2.326 1.00 0.00 H new ATOM 667 N TRP A 42 -6.298 -5.014 -4.506 1.00 0.00 N ATOM 668 CA TRP A 42 -7.774 -5.134 -4.328 1.00 0.00 C ATOM 669 C TRP A 42 -8.050 -5.472 -2.864 1.00 0.00 C ATOM 670 O TRP A 42 -9.176 -5.687 -2.461 1.00 0.00 O ATOM 671 CB TRP A 42 -8.308 -6.249 -5.239 1.00 0.00 C ATOM 672 CG TRP A 42 -8.557 -5.701 -6.599 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.830 -5.986 -7.697 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.599 -4.778 -7.016 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.356 -5.287 -8.767 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.451 -4.529 -8.397 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.648 -4.139 -6.333 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.314 -3.674 -9.083 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.521 -3.278 -7.017 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.354 -3.047 -8.390 1.00 0.00 C ATOM 0 H TRP A 42 -5.819 -5.881 -4.749 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.271 -4.201 -4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.589 -7.067 -5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.229 -6.660 -4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.979 -6.650 -7.735 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.981 -5.326 -9.715 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.783 -4.311 -5.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.180 -3.498 -10.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.324 -2.792 -6.484 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.029 -2.385 -8.912 1.00 0.00 H new ATOM 691 N LYS A 43 -7.012 -5.517 -2.071 1.00 0.00 N ATOM 692 CA LYS A 43 -7.156 -5.833 -0.621 1.00 0.00 C ATOM 693 C LYS A 43 -6.542 -4.695 0.193 1.00 0.00 C ATOM 694 O LYS A 43 -5.534 -4.124 -0.181 1.00 0.00 O ATOM 695 CB LYS A 43 -6.410 -7.142 -0.328 1.00 0.00 C ATOM 696 CG LYS A 43 -7.119 -8.319 -1.033 1.00 0.00 C ATOM 697 CD LYS A 43 -6.823 -9.646 -0.314 1.00 0.00 C ATOM 698 CE LYS A 43 -5.403 -10.110 -0.645 1.00 0.00 C ATOM 699 NZ LYS A 43 -5.057 -11.288 0.200 1.00 0.00 N ATOM 0 H LYS A 43 -6.053 -5.345 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.207 -5.944 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.379 -7.068 -0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.375 -7.318 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.194 -8.143 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.788 -8.380 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.932 -9.519 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.544 -10.404 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.331 -10.372 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.694 -9.301 -0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.092 -11.604 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.110 -11.023 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.727 -12.060 0.010 1.00 0.00 H new ATOM 713 N LEU A 44 -7.139 -4.351 1.303 1.00 0.00 N ATOM 714 CA LEU A 44 -6.587 -3.249 2.143 1.00 0.00 C ATOM 715 C LEU A 44 -5.649 -3.856 3.186 1.00 0.00 C ATOM 716 O LEU A 44 -4.563 -3.369 3.427 1.00 0.00 O ATOM 717 CB LEU A 44 -7.740 -2.528 2.849 1.00 0.00 C ATOM 718 CG LEU A 44 -7.202 -1.440 3.792 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.338 -0.436 3.015 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.393 -0.712 4.437 1.00 0.00 C ATOM 0 H LEU A 44 -7.987 -4.787 1.665 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.043 -2.537 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.403 -2.080 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.333 -3.246 3.415 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.584 -1.901 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.965 0.328 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.496 -0.957 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.938 0.035 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.025 0.063 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.006 -0.257 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.994 -1.426 5.001 1.00 0.00 H new ATOM 732 N VAL A 45 -6.079 -4.930 3.796 1.00 0.00 N ATOM 733 CA VAL A 45 -5.254 -5.623 4.834 1.00 0.00 C ATOM 734 C VAL A 45 -5.028 -7.075 4.380 1.00 0.00 C ATOM 735 O VAL A 45 -5.571 -7.517 3.388 1.00 0.00 O ATOM 736 CB VAL A 45 -6.017 -5.607 6.176 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.042 -5.749 7.349 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.771 -4.284 6.323 1.00 0.00 C ATOM 0 H VAL A 45 -6.984 -5.365 3.616 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.295 -5.121 4.962 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.717 -6.443 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.597 -5.736 8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.501 -6.691 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.333 -4.921 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.309 -4.275 7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.062 -3.457 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.480 -4.176 5.502 1.00 0.00 H new ATOM 748 N ALA A 46 -4.233 -7.813 5.101 1.00 0.00 N ATOM 749 CA ALA A 46 -3.967 -9.232 4.721 1.00 0.00 C ATOM 750 C ALA A 46 -5.197 -10.095 5.012 1.00 0.00 C ATOM 751 O ALA A 46 -5.300 -11.217 4.556 1.00 0.00 O ATOM 752 CB ALA A 46 -2.782 -9.760 5.533 1.00 0.00 C ATOM 0 H ALA A 46 -3.752 -7.495 5.942 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.740 -9.277 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.585 -10.796 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.900 -9.155 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.016 -9.705 6.596 1.00 0.00 H new ATOM 758 N THR A 47 -6.124 -9.594 5.787 1.00 0.00 N ATOM 759 CA THR A 47 -7.341 -10.396 6.128 1.00 0.00 C ATOM 760 C THR A 47 -8.468 -10.095 5.126 1.00 0.00 C ATOM 761 O THR A 47 -9.493 -10.749 5.120 1.00 0.00 O ATOM 762 CB THR A 47 -7.794 -10.023 7.544 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.318 -8.702 7.534 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.598 -10.086 8.498 1.00 0.00 C ATOM 0 H THR A 47 -6.092 -8.662 6.200 1.00 0.00 H new ATOM 0 HA THR A 47 -7.106 -11.459 6.080 1.00 0.00 H new ATOM 0 HB THR A 47 -8.561 -10.722 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.611 -8.459 8.437 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.921 -9.821 9.505 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.189 -11.096 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.831 -9.386 8.167 1.00 0.00 H new ATOM 772 N ASP A 48 -8.284 -9.116 4.283 1.00 0.00 N ATOM 773 CA ASP A 48 -9.335 -8.768 3.275 1.00 0.00 C ATOM 774 C ASP A 48 -9.383 -9.843 2.182 1.00 0.00 C ATOM 775 O ASP A 48 -8.510 -10.683 2.095 1.00 0.00 O ATOM 776 CB ASP A 48 -8.994 -7.415 2.646 1.00 0.00 C ATOM 777 CG ASP A 48 -9.259 -6.290 3.648 1.00 0.00 C ATOM 778 OD1 ASP A 48 -8.879 -6.445 4.797 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.835 -5.293 3.248 1.00 0.00 O ATOM 0 H ASP A 48 -7.446 -8.536 4.246 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.307 -8.714 3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.948 -7.401 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.592 -7.261 1.748 1.00 0.00 H new ATOM 784 N ARG A 49 -10.395 -9.821 1.336 1.00 0.00 N ATOM 785 CA ARG A 49 -10.497 -10.841 0.238 1.00 0.00 C ATOM 786 C ARG A 49 -10.865 -10.127 -1.075 1.00 0.00 C ATOM 787 O ARG A 49 -11.586 -9.149 -1.079 1.00 0.00 O ATOM 788 CB ARG A 49 -11.583 -11.878 0.613 1.00 0.00 C ATOM 789 CG ARG A 49 -11.334 -13.239 -0.088 1.00 0.00 C ATOM 790 CD ARG A 49 -12.038 -13.291 -1.456 1.00 0.00 C ATOM 791 NE ARG A 49 -13.412 -13.847 -1.284 1.00 0.00 N ATOM 792 CZ ARG A 49 -14.278 -13.759 -2.257 1.00 0.00 C ATOM 793 NH1 ARG A 49 -13.923 -13.229 -3.394 1.00 0.00 N ATOM 794 NH2 ARG A 49 -15.493 -14.213 -2.099 1.00 0.00 N ATOM 0 H ARG A 49 -11.154 -9.139 1.361 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.546 -11.356 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.594 -12.021 1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.565 -11.497 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.263 -13.394 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.698 -14.049 0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.089 -12.292 -1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.467 -13.910 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.675 -14.296 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.971 -12.885 -3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.597 -13.159 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.768 -14.638 -1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.167 -14.143 -2.861 1.00 0.00 H new ATOM 808 N VAL A 50 -10.347 -10.595 -2.182 1.00 0.00 N ATOM 809 CA VAL A 50 -10.632 -9.936 -3.492 1.00 0.00 C ATOM 810 C VAL A 50 -12.004 -10.393 -4.041 1.00 0.00 C ATOM 811 O VAL A 50 -12.215 -11.573 -4.242 1.00 0.00 O ATOM 812 CB VAL A 50 -9.539 -10.350 -4.485 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.173 -9.906 -3.955 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.553 -11.875 -4.670 1.00 0.00 C ATOM 0 H VAL A 50 -9.736 -11.410 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.650 -8.855 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.727 -9.873 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.396 -10.200 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.164 -8.823 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.986 -10.379 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.774 -12.163 -5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.370 -12.360 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.525 -12.186 -5.054 1.00 0.00 H new ATOM 824 N PRO A 51 -12.932 -9.488 -4.307 1.00 0.00 N ATOM 825 CA PRO A 51 -14.263 -9.875 -4.865 1.00 0.00 C ATOM 826 C PRO A 51 -14.129 -10.782 -6.101 1.00 0.00 C ATOM 827 O PRO A 51 -13.158 -10.715 -6.828 1.00 0.00 O ATOM 828 CB PRO A 51 -14.926 -8.537 -5.245 1.00 0.00 C ATOM 829 CG PRO A 51 -14.228 -7.489 -4.431 1.00 0.00 C ATOM 830 CD PRO A 51 -12.828 -8.031 -4.106 1.00 0.00 C ATOM 0 HA PRO A 51 -14.846 -10.448 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.821 -8.338 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.994 -8.554 -5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.160 -6.553 -4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.782 -7.279 -3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.073 -7.594 -4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.539 -7.793 -3.082 1.00 0.00 H new ATOM 838 N ALA A 52 -15.100 -11.622 -6.343 1.00 0.00 N ATOM 839 CA ALA A 52 -15.034 -12.524 -7.531 1.00 0.00 C ATOM 840 C ALA A 52 -14.648 -11.709 -8.771 1.00 0.00 C ATOM 841 O ALA A 52 -15.102 -10.598 -8.957 1.00 0.00 O ATOM 842 CB ALA A 52 -16.403 -13.176 -7.749 1.00 0.00 C ATOM 0 H ALA A 52 -15.937 -11.723 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.286 -13.298 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.358 -13.835 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.675 -13.755 -6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.151 -12.402 -7.920 1.00 0.00 H new ATOM 848 N GLY A 53 -13.805 -12.247 -9.617 1.00 0.00 N ATOM 849 CA GLY A 53 -13.378 -11.504 -10.843 1.00 0.00 C ATOM 850 C GLY A 53 -11.995 -10.893 -10.601 1.00 0.00 C ATOM 851 O GLY A 53 -11.201 -10.753 -11.508 1.00 0.00 O ATOM 0 H GLY A 53 -13.392 -13.174 -9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.347 -12.178 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.099 -10.721 -11.079 1.00 0.00 H new ATOM 855 N LYS A 54 -11.695 -10.543 -9.376 1.00 0.00 N ATOM 856 CA LYS A 54 -10.360 -9.961 -9.061 1.00 0.00 C ATOM 857 C LYS A 54 -9.432 -11.099 -8.622 1.00 0.00 C ATOM 858 O LYS A 54 -9.756 -11.880 -7.749 1.00 0.00 O ATOM 859 CB LYS A 54 -10.503 -8.941 -7.928 1.00 0.00 C ATOM 860 CG LYS A 54 -11.039 -7.614 -8.476 1.00 0.00 C ATOM 861 CD LYS A 54 -12.406 -7.828 -9.131 1.00 0.00 C ATOM 862 CE LYS A 54 -13.096 -6.476 -9.337 1.00 0.00 C ATOM 863 NZ LYS A 54 -14.370 -6.674 -10.087 1.00 0.00 N ATOM 0 H LYS A 54 -12.323 -10.637 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.948 -9.459 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.178 -9.327 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.537 -8.781 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.124 -6.886 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.339 -7.203 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.286 -8.336 -10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.024 -8.471 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.298 -6.009 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.440 -5.801 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.837 -5.755 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.165 -7.102 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.997 -7.303 -9.546 1.00 0.00 H new ATOM 877 N ARG A 55 -8.289 -11.207 -9.236 1.00 0.00 N ATOM 878 CA ARG A 55 -7.340 -12.302 -8.880 1.00 0.00 C ATOM 879 C ARG A 55 -6.594 -11.968 -7.584 1.00 0.00 C ATOM 880 O ARG A 55 -6.353 -10.819 -7.270 1.00 0.00 O ATOM 881 CB ARG A 55 -6.344 -12.468 -10.032 1.00 0.00 C ATOM 882 CG ARG A 55 -5.465 -13.715 -9.816 1.00 0.00 C ATOM 883 CD ARG A 55 -4.985 -14.245 -11.173 1.00 0.00 C ATOM 884 NE ARG A 55 -6.143 -14.808 -11.927 1.00 0.00 N ATOM 885 CZ ARG A 55 -6.032 -15.027 -13.208 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.926 -14.714 -13.823 1.00 0.00 N ATOM 887 NH2 ARG A 55 -7.025 -15.548 -13.876 1.00 0.00 N ATOM 0 H ARG A 55 -7.967 -10.581 -9.974 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.891 -13.229 -8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.883 -12.556 -10.975 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.714 -11.581 -10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.610 -13.466 -9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.031 -14.485 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.521 -13.442 -11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.225 -15.013 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.016 -15.020 -11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.153 -14.300 -13.303 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.834 -14.883 -14.825 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.893 -15.786 -13.396 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.933 -15.717 -14.878 1.00 0.00 H new ATOM 901 N ASP A 56 -6.228 -12.980 -6.835 1.00 0.00 N ATOM 902 CA ASP A 56 -5.487 -12.773 -5.549 1.00 0.00 C ATOM 903 C ASP A 56 -4.450 -11.656 -5.718 1.00 0.00 C ATOM 904 O ASP A 56 -3.893 -11.472 -6.781 1.00 0.00 O ATOM 905 CB ASP A 56 -4.785 -14.083 -5.182 1.00 0.00 C ATOM 906 CG ASP A 56 -3.979 -13.909 -3.895 1.00 0.00 C ATOM 907 OD1 ASP A 56 -4.109 -12.872 -3.268 1.00 0.00 O ATOM 908 OD2 ASP A 56 -3.241 -14.823 -3.558 1.00 0.00 O ATOM 0 H ASP A 56 -6.414 -13.956 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.181 -12.485 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.522 -14.875 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.126 -14.390 -5.994 1.00 0.00 H new ATOM 913 N CYS A 57 -4.192 -10.898 -4.681 1.00 0.00 N ATOM 914 CA CYS A 57 -3.202 -9.791 -4.799 1.00 0.00 C ATOM 915 C CYS A 57 -2.590 -9.494 -3.431 1.00 0.00 C ATOM 916 O CYS A 57 -3.084 -9.914 -2.403 1.00 0.00 O ATOM 917 CB CYS A 57 -3.894 -8.536 -5.332 1.00 0.00 C ATOM 918 SG CYS A 57 -5.029 -7.890 -4.078 1.00 0.00 S ATOM 0 H CYS A 57 -4.624 -11.000 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.413 -10.091 -5.489 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.152 -7.780 -5.589 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.440 -8.770 -6.246 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.516 -6.826 -3.535 1.00 0.00 H new ATOM 924 N ILE A 58 -1.508 -8.776 -3.425 1.00 0.00 N ATOM 925 CA ILE A 58 -0.822 -8.435 -2.151 1.00 0.00 C ATOM 926 C ILE A 58 -1.486 -7.211 -1.508 1.00 0.00 C ATOM 927 O ILE A 58 -1.675 -6.187 -2.133 1.00 0.00 O ATOM 928 CB ILE A 58 0.642 -8.144 -2.488 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.251 -9.384 -3.163 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.413 -7.816 -1.217 1.00 0.00 C ATOM 931 CD1 ILE A 58 2.778 -9.238 -3.329 1.00 0.00 C ATOM 0 H ILE A 58 -1.061 -8.404 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.890 -9.257 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 58 0.701 -7.289 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.031 -10.270 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.789 -9.533 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.454 -7.610 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.974 -6.939 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.364 -8.663 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.179 -10.131 -3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.995 -8.366 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.240 -9.114 -2.350 1.00 0.00 H new ATOM 943 N SER A 59 -1.826 -7.320 -0.249 1.00 0.00 N ATOM 944 CA SER A 59 -2.464 -6.177 0.468 1.00 0.00 C ATOM 945 C SER A 59 -1.494 -4.991 0.459 1.00 0.00 C ATOM 946 O SER A 59 -0.367 -5.111 0.025 1.00 0.00 O ATOM 947 CB SER A 59 -2.754 -6.591 1.910 1.00 0.00 C ATOM 948 OG SER A 59 -1.523 -6.807 2.592 1.00 0.00 O ATOM 0 H SER A 59 -1.688 -8.158 0.316 1.00 0.00 H new ATOM 0 HA SER A 59 -3.396 -5.896 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.332 -5.816 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.357 -7.499 1.926 1.00 0.00 H new ATOM 0 HG SER A 59 -1.704 -7.071 3.518 1.00 0.00 H new ATOM 954 N LEU A 60 -1.916 -3.845 0.918 1.00 0.00 N ATOM 955 CA LEU A 60 -0.997 -2.668 0.914 1.00 0.00 C ATOM 956 C LEU A 60 -0.105 -2.694 2.157 1.00 0.00 C ATOM 957 O LEU A 60 1.105 -2.712 2.060 1.00 0.00 O ATOM 958 CB LEU A 60 -1.818 -1.374 0.918 1.00 0.00 C ATOM 959 CG LEU A 60 -2.615 -1.247 -0.382 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.550 -0.036 -0.282 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.666 -1.069 -1.586 1.00 0.00 C ATOM 0 H LEU A 60 -2.849 -3.671 1.293 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.375 -2.711 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.497 -1.369 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.156 -0.516 1.032 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.197 -2.157 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.121 0.060 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.234 -0.173 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.960 0.867 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.252 -0.981 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.069 -0.167 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.006 -1.933 -1.660 1.00 0.00 H new ATOM 973 N ARG A 61 -0.694 -2.664 3.323 1.00 0.00 N ATOM 974 CA ARG A 61 0.113 -2.649 4.583 1.00 0.00 C ATOM 975 C ARG A 61 1.324 -3.581 4.488 1.00 0.00 C ATOM 976 O ARG A 61 2.372 -3.293 5.026 1.00 0.00 O ATOM 977 CB ARG A 61 -0.775 -3.080 5.751 1.00 0.00 C ATOM 978 CG ARG A 61 -2.003 -2.149 5.836 1.00 0.00 C ATOM 979 CD ARG A 61 -2.460 -2.014 7.288 1.00 0.00 C ATOM 980 NE ARG A 61 -3.652 -1.126 7.340 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.379 -1.070 8.422 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.067 -1.803 9.454 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.416 -0.280 8.468 1.00 0.00 N ATOM 0 H ARG A 61 -1.705 -2.649 3.460 1.00 0.00 H new ATOM 0 HA ARG A 61 0.483 -1.636 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.097 -4.112 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.211 -3.042 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.754 -1.168 5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.814 -2.548 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.702 -2.994 7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.657 -1.602 7.899 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.901 -0.560 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.255 -2.419 9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.635 -1.760 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.657 0.292 7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.986 -0.235 9.313 1.00 0.00 H new ATOM 997 N GLU A 62 1.204 -4.689 3.815 1.00 0.00 N ATOM 998 CA GLU A 62 2.374 -5.600 3.714 1.00 0.00 C ATOM 999 C GLU A 62 3.404 -4.971 2.761 1.00 0.00 C ATOM 1000 O GLU A 62 4.592 -4.988 3.009 1.00 0.00 O ATOM 1001 CB GLU A 62 1.905 -6.977 3.227 1.00 0.00 C ATOM 1002 CG GLU A 62 1.704 -6.995 1.721 1.00 0.00 C ATOM 1003 CD GLU A 62 3.047 -7.243 1.029 1.00 0.00 C ATOM 1004 OE1 GLU A 62 3.634 -8.282 1.277 1.00 0.00 O ATOM 1005 OE2 GLU A 62 3.458 -6.395 0.261 1.00 0.00 O ATOM 0 H GLU A 62 0.359 -5.000 3.337 1.00 0.00 H new ATOM 0 HA GLU A 62 2.847 -5.739 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.639 -7.733 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.971 -7.241 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.993 -7.774 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.281 -6.047 1.389 1.00 0.00 H new ATOM 1012 N LYS A 63 2.940 -4.395 1.686 1.00 0.00 N ATOM 1013 CA LYS A 63 3.864 -3.729 0.708 1.00 0.00 C ATOM 1014 C LYS A 63 4.562 -2.541 1.382 1.00 0.00 C ATOM 1015 O LYS A 63 5.756 -2.354 1.254 1.00 0.00 O ATOM 1016 CB LYS A 63 3.059 -3.177 -0.479 1.00 0.00 C ATOM 1017 CG LYS A 63 2.637 -4.298 -1.436 1.00 0.00 C ATOM 1018 CD LYS A 63 2.195 -3.660 -2.760 1.00 0.00 C ATOM 1019 CE LYS A 63 1.682 -4.727 -3.727 1.00 0.00 C ATOM 1020 NZ LYS A 63 2.603 -5.900 -3.725 1.00 0.00 N ATOM 0 H LYS A 63 1.952 -4.354 1.436 1.00 0.00 H new ATOM 0 HA LYS A 63 4.593 -4.465 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.174 -2.658 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.658 -2.443 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.466 -4.986 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.822 -4.879 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.412 -2.925 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.032 -3.126 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.679 -5.041 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.608 -4.313 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.286 -6.592 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.567 -5.585 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.600 -6.342 -2.784 1.00 0.00 H new ATOM 1034 N ILE A 64 3.820 -1.727 2.077 1.00 0.00 N ATOM 1035 CA ILE A 64 4.429 -0.538 2.734 1.00 0.00 C ATOM 1036 C ILE A 64 5.609 -0.990 3.600 1.00 0.00 C ATOM 1037 O ILE A 64 6.693 -0.447 3.512 1.00 0.00 O ATOM 1038 CB ILE A 64 3.354 0.180 3.586 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.417 1.016 2.683 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.016 1.113 4.607 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.367 0.129 2.021 1.00 0.00 C ATOM 0 H ILE A 64 2.816 -1.834 2.219 1.00 0.00 H new ATOM 0 HA ILE A 64 4.799 0.162 1.985 1.00 0.00 H new ATOM 0 HB ILE A 64 2.775 -0.583 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.926 1.787 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.002 1.527 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.247 1.610 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.661 0.532 5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.612 1.861 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.720 0.739 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.861 -0.626 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.768 -0.361 2.789 1.00 0.00 H new ATOM 1053 N ALA A 65 5.420 -1.978 4.422 1.00 0.00 N ATOM 1054 CA ALA A 65 6.548 -2.451 5.268 1.00 0.00 C ATOM 1055 C ALA A 65 7.679 -2.982 4.374 1.00 0.00 C ATOM 1056 O ALA A 65 8.844 -2.784 4.653 1.00 0.00 O ATOM 1057 CB ALA A 65 6.057 -3.565 6.199 1.00 0.00 C ATOM 0 H ALA A 65 4.539 -2.477 4.546 1.00 0.00 H new ATOM 0 HA ALA A 65 6.925 -1.621 5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.884 -3.912 6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.261 -3.181 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.677 -4.395 5.604 1.00 0.00 H new ATOM 1063 N GLU A 66 7.347 -3.677 3.317 1.00 0.00 N ATOM 1064 CA GLU A 66 8.406 -4.244 2.428 1.00 0.00 C ATOM 1065 C GLU A 66 9.005 -3.189 1.477 1.00 0.00 C ATOM 1066 O GLU A 66 10.197 -3.150 1.275 1.00 0.00 O ATOM 1067 CB GLU A 66 7.816 -5.385 1.592 1.00 0.00 C ATOM 1068 CG GLU A 66 7.554 -6.602 2.482 1.00 0.00 C ATOM 1069 CD GLU A 66 7.072 -7.766 1.615 1.00 0.00 C ATOM 1070 OE1 GLU A 66 6.510 -7.505 0.563 1.00 0.00 O ATOM 1071 OE2 GLU A 66 7.274 -8.902 2.014 1.00 0.00 O ATOM 0 H GLU A 66 6.389 -3.877 3.031 1.00 0.00 H new ATOM 0 HA GLU A 66 9.207 -4.607 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.887 -5.061 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.503 -5.652 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.464 -6.881 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.805 -6.361 3.237 1.00 0.00 H new ATOM 1078 N LEU A 67 8.207 -2.361 0.856 1.00 0.00 N ATOM 1079 CA LEU A 67 8.790 -1.372 -0.108 1.00 0.00 C ATOM 1080 C LEU A 67 9.662 -0.342 0.608 1.00 0.00 C ATOM 1081 O LEU A 67 10.681 0.068 0.097 1.00 0.00 O ATOM 1082 CB LEU A 67 7.662 -0.659 -0.863 1.00 0.00 C ATOM 1083 CG LEU A 67 7.154 -1.548 -2.018 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.827 -0.991 -2.562 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.205 -1.606 -3.160 1.00 0.00 C ATOM 0 H LEU A 67 7.194 -2.323 0.969 1.00 0.00 H new ATOM 0 HA LEU A 67 9.419 -1.917 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.843 -0.433 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.021 0.292 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 67 6.994 -2.556 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.474 -1.623 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.084 -0.978 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.982 0.023 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.831 -2.237 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.386 -0.600 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.137 -2.022 -2.776 1.00 0.00 H new ATOM 1097 N GLN A 68 9.280 0.105 1.759 1.00 0.00 N ATOM 1098 CA GLN A 68 10.113 1.127 2.447 1.00 0.00 C ATOM 1099 C GLN A 68 11.425 0.506 2.950 1.00 0.00 C ATOM 1100 O GLN A 68 12.491 1.044 2.731 1.00 0.00 O ATOM 1101 CB GLN A 68 9.342 1.704 3.634 1.00 0.00 C ATOM 1102 CG GLN A 68 8.184 2.569 3.133 1.00 0.00 C ATOM 1103 CD GLN A 68 7.377 3.061 4.335 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.782 2.879 5.466 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.247 3.681 4.142 1.00 0.00 N ATOM 0 H GLN A 68 8.437 -0.185 2.255 1.00 0.00 H new ATOM 0 HA GLN A 68 10.347 1.919 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.960 0.896 4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.009 2.300 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.565 3.416 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.547 1.994 2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.905 3.835 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.704 4.012 4.940 1.00 0.00 H new