USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 711 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 LYS NZ :NH3+ 149:sc= -0.482 (180deg=-1.69!) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.464 X(o=-0.95,f=-1.3) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.85! C(o=-0.92!,f=-3.2!) USER MOD Set 2.2: A 26 CYS SG : rot -10:sc= 0.931 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.646 K(o=0.61,f=-6.9!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ -164:sc= -0.038 (180deg=-0.273) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 126:sc= 0.277 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= -1.08 (180deg=-1.35) USER MOD Single : A 29 CYS SG : rot -120:sc= -2.62 USER MOD Single : A 32 SER OG : rot 180:sc= 0.115 USER MOD Single : A 34 ASN : amide:sc= -1.64! C(o=-1.6!,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ -137:sc= -0.329 (180deg=-2.01!) USER MOD Single : A 40 THR OG1 : rot -32:sc= -0.225 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 49 SER OG : rot 180:sc=-0.000278 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.214 (180deg=-0.876) USER MOD Single : A 61 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.053) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 76 TYR OH : rot -47:sc= 0.0698 USER MOD Single : A 83 TYR OH : rot 42:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc= -0.64 K(o=-0.64,f=-3.4!) USER MOD Single : A 86 THR OG1 : rot 41:sc= 0.00282 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.746 -2.362 13.213 1.00 0.00 N ATOM 67 CA LEU A 8 -12.458 -2.775 12.667 1.00 0.00 C ATOM 68 C LEU A 8 -11.309 -2.208 13.493 1.00 0.00 C ATOM 69 O LEU A 8 -11.351 -1.056 13.927 1.00 0.00 O ATOM 70 CB LEU A 8 -12.329 -2.319 11.212 1.00 0.00 C ATOM 71 CG LEU A 8 -11.002 -2.639 10.524 1.00 0.00 C ATOM 72 CD1 LEU A 8 -11.000 -4.070 10.008 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.741 -1.661 9.388 1.00 0.00 C ATOM 0 HA LEU A 8 -12.407 -3.863 12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.133 -2.776 10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.484 -1.241 11.175 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.201 -2.537 11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.048 -4.280 9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.141 -4.758 10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.810 -4.199 9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.792 -1.904 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.545 -1.731 8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.698 -0.646 9.784 1.00 0.00 H new ATOM 85 N LYS A 9 -10.281 -3.023 13.706 1.00 0.00 N ATOM 86 CA LYS A 9 -9.117 -2.602 14.477 1.00 0.00 C ATOM 87 C LYS A 9 -7.825 -3.033 13.791 1.00 0.00 C ATOM 88 O LYS A 9 -7.525 -4.224 13.704 1.00 0.00 O ATOM 89 CB LYS A 9 -9.177 -3.188 15.890 1.00 0.00 C ATOM 90 CG LYS A 9 -7.909 -2.963 16.696 1.00 0.00 C ATOM 91 CD LYS A 9 -7.969 -1.660 17.475 1.00 0.00 C ATOM 92 CE LYS A 9 -7.708 -0.460 16.577 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.255 0.727 17.353 1.00 0.00 N ATOM 0 H LYS A 9 -10.230 -3.979 13.355 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.128 -1.514 14.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.019 -2.746 16.422 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.369 -4.259 15.822 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.763 -3.794 17.386 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.049 -2.949 16.027 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.948 -1.559 17.943 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.233 -1.681 18.279 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.952 -0.719 15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.618 -0.211 16.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.088 1.523 16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.987 0.991 18.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.373 0.498 17.854 1.00 0.00 H new ATOM 107 N ILE A 10 -7.064 -2.058 13.307 1.00 0.00 N ATOM 108 CA ILE A 10 -5.803 -2.337 12.631 1.00 0.00 C ATOM 109 C ILE A 10 -4.817 -3.025 13.569 1.00 0.00 C ATOM 110 O ILE A 10 -4.566 -2.552 14.679 1.00 0.00 O ATOM 111 CB ILE A 10 -5.161 -1.049 12.083 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.098 -0.371 11.082 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.820 -1.361 11.434 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.715 -1.329 10.087 1.00 0.00 C ATOM 0 H ILE A 10 -7.298 -1.067 13.370 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.032 -3.002 11.798 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.991 -0.364 12.913 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.894 0.136 11.628 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.544 0.396 10.540 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.378 -0.441 11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.152 -1.804 12.173 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.968 -2.062 10.612 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.367 -0.779 9.409 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.926 -1.818 9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.297 -2.082 10.619 1.00 0.00 H new ATOM 126 N LEU A 11 -4.259 -4.142 13.116 1.00 0.00 N ATOM 127 CA LEU A 11 -3.297 -4.895 13.914 1.00 0.00 C ATOM 128 C LEU A 11 -1.868 -4.491 13.568 1.00 0.00 C ATOM 129 O LEU A 11 -1.087 -4.116 14.443 1.00 0.00 O ATOM 130 CB LEU A 11 -3.484 -6.396 13.690 1.00 0.00 C ATOM 131 CG LEU A 11 -4.865 -6.959 14.028 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.987 -8.397 13.549 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.125 -6.869 15.525 1.00 0.00 C ATOM 0 H LEU A 11 -4.456 -4.547 12.201 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.475 -4.666 14.965 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.270 -6.616 12.644 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.742 -6.927 14.286 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.617 -6.361 13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.976 -8.781 13.798 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.845 -8.434 12.469 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.227 -9.008 14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.112 -7.274 15.748 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.368 -7.442 16.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.081 -5.826 15.840 1.00 0.00 H new ATOM 145 N THR A 12 -1.531 -4.568 12.284 1.00 0.00 N ATOM 146 CA THR A 12 -0.196 -4.210 11.822 1.00 0.00 C ATOM 147 C THR A 12 -0.262 -3.218 10.666 1.00 0.00 C ATOM 148 O THR A 12 -0.251 -3.593 9.493 1.00 0.00 O ATOM 149 CB THR A 12 0.595 -5.453 11.372 1.00 0.00 C ATOM 150 OG1 THR A 12 0.464 -6.496 12.345 1.00 0.00 O ATOM 151 CG2 THR A 12 2.066 -5.117 11.176 1.00 0.00 C ATOM 0 H THR A 12 -2.165 -4.875 11.546 1.00 0.00 H new ATOM 0 HA THR A 12 0.317 -3.748 12.665 1.00 0.00 H new ATOM 0 HB THR A 12 0.186 -5.791 10.420 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.145 -7.313 11.908 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.604 -6.010 10.858 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.164 -4.344 10.414 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.485 -4.756 12.115 1.00 0.00 H new ATOM 159 N PRO A 13 -0.332 -1.921 11.002 1.00 0.00 N ATOM 160 CA PRO A 13 -0.400 -0.848 10.005 1.00 0.00 C ATOM 161 C PRO A 13 0.910 -0.681 9.243 1.00 0.00 C ATOM 162 O PRO A 13 1.975 -1.071 9.725 1.00 0.00 O ATOM 163 CB PRO A 13 -0.693 0.397 10.845 1.00 0.00 C ATOM 164 CG PRO A 13 -0.157 0.077 12.197 1.00 0.00 C ATOM 165 CD PRO A 13 -0.350 -1.403 12.380 1.00 0.00 C ATOM 0 HA PRO A 13 -1.150 -1.049 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.210 1.280 10.426 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.762 0.607 10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.897 0.345 12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.685 0.638 12.969 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.445 -1.840 12.984 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.292 -1.627 12.881 1.00 0.00 H new ATOM 173 N LEU A 14 0.826 -0.100 8.052 1.00 0.00 N ATOM 174 CA LEU A 14 2.005 0.120 7.222 1.00 0.00 C ATOM 175 C LEU A 14 3.028 0.987 7.949 1.00 0.00 C ATOM 176 O LEU A 14 2.684 1.743 8.858 1.00 0.00 O ATOM 177 CB LEU A 14 1.608 0.779 5.900 1.00 0.00 C ATOM 178 CG LEU A 14 0.497 0.085 5.111 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.267 1.093 4.267 1.00 0.00 C ATOM 180 CD2 LEU A 14 1.073 -1.019 4.237 1.00 0.00 C ATOM 0 H LEU A 14 -0.047 0.228 7.639 1.00 0.00 H new ATOM 0 HA LEU A 14 2.459 -0.849 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.294 1.802 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.493 0.839 5.267 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.198 -0.366 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.054 0.581 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.712 1.847 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.416 1.574 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.268 -1.502 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.790 -0.591 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.574 -1.756 4.865 1.00 0.00 H new ATOM 192 N THR A 15 4.288 0.875 7.541 1.00 0.00 N ATOM 193 CA THR A 15 5.362 1.649 8.151 1.00 0.00 C ATOM 194 C THR A 15 6.160 2.409 7.098 1.00 0.00 C ATOM 195 O THR A 15 6.056 2.128 5.904 1.00 0.00 O ATOM 196 CB THR A 15 6.319 0.747 8.953 1.00 0.00 C ATOM 197 OG1 THR A 15 6.839 -0.287 8.109 1.00 0.00 O ATOM 198 CG2 THR A 15 5.607 0.126 10.145 1.00 0.00 C ATOM 0 H THR A 15 4.590 0.255 6.790 1.00 0.00 H new ATOM 0 HA THR A 15 4.892 2.361 8.829 1.00 0.00 H new ATOM 0 HB THR A 15 7.140 1.362 9.322 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.448 -0.855 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.303 -0.507 10.696 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.238 0.915 10.800 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.769 -0.476 9.795 1.00 0.00 H new ATOM 206 N ASP A 16 6.956 3.373 7.548 1.00 0.00 N ATOM 207 CA ASP A 16 7.774 4.173 6.643 1.00 0.00 C ATOM 208 C ASP A 16 8.869 3.323 6.006 1.00 0.00 C ATOM 209 O ASP A 16 9.730 2.783 6.700 1.00 0.00 O ATOM 210 CB ASP A 16 8.396 5.352 7.392 1.00 0.00 C ATOM 211 CG ASP A 16 8.876 4.969 8.778 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.841 4.182 8.875 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.287 5.455 9.766 1.00 0.00 O ATOM 0 H ASP A 16 7.052 3.619 8.533 1.00 0.00 H new ATOM 0 HA ASP A 16 7.130 4.555 5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.234 5.743 6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.663 6.154 7.473 1.00 0.00 H new ATOM 218 N GLN A 17 8.829 3.210 4.683 1.00 0.00 N ATOM 219 CA GLN A 17 9.818 2.425 3.953 1.00 0.00 C ATOM 220 C GLN A 17 10.557 3.289 2.937 1.00 0.00 C ATOM 221 O GLN A 17 9.945 3.890 2.054 1.00 0.00 O ATOM 222 CB GLN A 17 9.144 1.248 3.245 1.00 0.00 C ATOM 223 CG GLN A 17 8.587 0.203 4.198 1.00 0.00 C ATOM 224 CD GLN A 17 8.579 -1.189 3.598 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.214 -1.439 2.572 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.859 -2.105 4.234 1.00 0.00 N ATOM 0 H GLN A 17 8.123 3.652 4.094 1.00 0.00 H new ATOM 0 HA GLN A 17 10.543 2.041 4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.335 1.626 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.865 0.773 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.181 0.197 5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.571 0.479 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.348 -1.855 5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.816 -3.059 3.876 1.00 0.00 H new ATOM 235 N THR A 18 11.879 3.348 3.069 1.00 0.00 N ATOM 236 CA THR A 18 12.702 4.140 2.163 1.00 0.00 C ATOM 237 C THR A 18 13.720 3.266 1.439 1.00 0.00 C ATOM 238 O THR A 18 14.502 2.554 2.069 1.00 0.00 O ATOM 239 CB THR A 18 13.447 5.259 2.915 1.00 0.00 C ATOM 240 OG1 THR A 18 12.507 6.177 3.485 1.00 0.00 O ATOM 241 CG2 THR A 18 14.388 6.005 1.981 1.00 0.00 C ATOM 0 H THR A 18 12.402 2.857 3.794 1.00 0.00 H new ATOM 0 HA THR A 18 12.028 4.588 1.433 1.00 0.00 H new ATOM 0 HB THR A 18 14.036 4.802 3.710 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.989 6.884 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.903 6.790 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.121 5.310 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.816 6.450 1.167 1.00 0.00 H new ATOM 249 N VAL A 19 13.705 3.325 0.111 1.00 0.00 N ATOM 250 CA VAL A 19 14.628 2.540 -0.700 1.00 0.00 C ATOM 251 C VAL A 19 15.232 3.383 -1.817 1.00 0.00 C ATOM 252 O VAL A 19 14.768 4.488 -2.095 1.00 0.00 O ATOM 253 CB VAL A 19 13.930 1.314 -1.317 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.131 0.566 -0.260 1.00 0.00 C ATOM 255 CG2 VAL A 19 13.037 1.736 -2.473 1.00 0.00 C ATOM 0 H VAL A 19 13.064 3.909 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 19 15.422 2.200 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 19 14.693 0.640 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.645 -0.297 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.800 0.230 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.375 1.229 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.552 0.857 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.279 2.431 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.640 2.223 -3.239 1.00 0.00 H new ATOM 265 N ASN A 20 16.270 2.853 -2.456 1.00 0.00 N ATOM 266 CA ASN A 20 16.939 3.557 -3.544 1.00 0.00 C ATOM 267 C ASN A 20 16.058 3.596 -4.789 1.00 0.00 C ATOM 268 O ASN A 20 14.955 3.046 -4.800 1.00 0.00 O ATOM 269 CB ASN A 20 18.273 2.884 -3.871 1.00 0.00 C ATOM 270 CG ASN A 20 18.916 2.251 -2.652 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.354 1.340 -2.043 1.00 0.00 O ATOM 272 ND2 ASN A 20 20.099 2.734 -2.289 1.00 0.00 N ATOM 0 H ASN A 20 16.666 1.938 -2.239 1.00 0.00 H new ATOM 0 HA ASN A 20 17.126 4.581 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.114 2.120 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.954 3.621 -4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.579 2.349 -1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.527 3.490 -2.824 1.00 0.00 H new ATOM 279 N LEU A 21 16.551 4.248 -5.836 1.00 0.00 N ATOM 280 CA LEU A 21 15.809 4.358 -7.087 1.00 0.00 C ATOM 281 C LEU A 21 15.895 3.062 -7.887 1.00 0.00 C ATOM 282 O LEU A 21 16.978 2.638 -8.288 1.00 0.00 O ATOM 283 CB LEU A 21 16.348 5.522 -7.922 1.00 0.00 C ATOM 284 CG LEU A 21 15.346 6.198 -8.857 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.628 7.332 -8.141 1.00 0.00 C ATOM 286 CD2 LEU A 21 16.045 6.712 -10.107 1.00 0.00 C ATOM 0 H LEU A 21 17.461 4.708 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 21 14.763 4.546 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.747 6.276 -7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.184 5.158 -8.520 1.00 0.00 H new ATOM 0 HG LEU A 21 14.604 5.459 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.919 7.801 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.094 6.936 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.356 8.072 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.316 7.190 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.809 7.436 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.511 5.878 -10.632 1.00 0.00 H new ATOM 298 N GLY A 22 14.744 2.437 -8.116 1.00 0.00 N ATOM 299 CA GLY A 22 14.710 1.197 -8.869 1.00 0.00 C ATOM 300 C GLY A 22 14.429 -0.006 -7.991 1.00 0.00 C ATOM 301 O GLY A 22 13.817 -0.979 -8.434 1.00 0.00 O ATOM 0 H GLY A 22 13.835 2.767 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.945 1.266 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.664 1.057 -9.377 1.00 0.00 H new ATOM 305 N LYS A 23 14.877 0.057 -6.742 1.00 0.00 N ATOM 306 CA LYS A 23 14.672 -1.036 -5.798 1.00 0.00 C ATOM 307 C LYS A 23 13.215 -1.487 -5.798 1.00 0.00 C ATOM 308 O LYS A 23 12.344 -0.804 -6.336 1.00 0.00 O ATOM 309 CB LYS A 23 15.084 -0.604 -4.389 1.00 0.00 C ATOM 310 CG LYS A 23 16.549 -0.858 -4.080 1.00 0.00 C ATOM 311 CD LYS A 23 16.780 -2.281 -3.600 1.00 0.00 C ATOM 312 CE LYS A 23 16.523 -2.415 -2.107 1.00 0.00 C ATOM 313 NZ LYS A 23 17.564 -1.718 -1.301 1.00 0.00 N ATOM 0 H LYS A 23 15.385 0.854 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 23 15.294 -1.875 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.875 0.459 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.470 -1.135 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.147 -0.673 -4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.888 -0.157 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.125 -2.961 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.805 -2.579 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.543 -2.003 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.500 -3.470 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.519 -2.048 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.504 -1.927 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.397 -0.692 -1.330 1.00 0.00 H new ATOM 327 N GLU A 24 12.957 -2.640 -5.188 1.00 0.00 N ATOM 328 CA GLU A 24 11.605 -3.180 -5.117 1.00 0.00 C ATOM 329 C GLU A 24 10.940 -2.812 -3.794 1.00 0.00 C ATOM 330 O GLU A 24 11.231 -3.405 -2.755 1.00 0.00 O ATOM 331 CB GLU A 24 11.630 -4.701 -5.281 1.00 0.00 C ATOM 332 CG GLU A 24 10.368 -5.267 -5.910 1.00 0.00 C ATOM 333 CD GLU A 24 10.570 -6.661 -6.472 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.875 -7.579 -5.682 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.424 -6.833 -7.700 1.00 0.00 O ATOM 0 H GLU A 24 13.666 -3.217 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 24 11.025 -2.743 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.487 -4.978 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.776 -5.161 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.574 -5.292 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.035 -4.603 -6.707 1.00 0.00 H new ATOM 342 N ILE A 25 10.047 -1.829 -3.841 1.00 0.00 N ATOM 343 CA ILE A 25 9.341 -1.381 -2.647 1.00 0.00 C ATOM 344 C ILE A 25 8.358 -2.441 -2.161 1.00 0.00 C ATOM 345 O ILE A 25 7.888 -3.271 -2.939 1.00 0.00 O ATOM 346 CB ILE A 25 8.578 -0.068 -2.903 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.556 1.104 -3.003 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.560 0.177 -1.799 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.019 2.273 -3.798 1.00 0.00 C ATOM 0 H ILE A 25 9.795 -1.328 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 25 10.096 -1.209 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 25 8.045 -0.153 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.808 1.443 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.481 0.757 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.029 1.109 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.848 -0.648 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.073 0.246 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.765 3.067 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.794 1.949 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.110 2.647 -3.327 1.00 0.00 H new ATOM 361 N CYS A 26 8.049 -2.404 -0.869 1.00 0.00 N ATOM 362 CA CYS A 26 7.120 -3.361 -0.278 1.00 0.00 C ATOM 363 C CYS A 26 6.406 -2.753 0.925 1.00 0.00 C ATOM 364 O CYS A 26 6.941 -1.870 1.597 1.00 0.00 O ATOM 365 CB CYS A 26 7.861 -4.631 0.141 1.00 0.00 C ATOM 366 SG CYS A 26 8.887 -4.434 1.617 1.00 0.00 S ATOM 0 H CYS A 26 8.428 -1.722 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 26 6.373 -3.617 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.132 -5.421 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.491 -4.960 -0.685 1.00 0.00 H new ATOM 0 HG CYS A 26 8.963 -3.174 1.928 1.00 0.00 H new ATOM 372 N LEU A 27 5.195 -3.230 1.191 1.00 0.00 N ATOM 373 CA LEU A 27 4.406 -2.733 2.313 1.00 0.00 C ATOM 374 C LEU A 27 3.392 -3.777 2.771 1.00 0.00 C ATOM 375 O LEU A 27 2.467 -4.123 2.037 1.00 0.00 O ATOM 376 CB LEU A 27 3.685 -1.442 1.922 1.00 0.00 C ATOM 377 CG LEU A 27 4.574 -0.219 1.694 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.766 0.926 1.104 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.238 0.209 2.995 1.00 0.00 C ATOM 0 H LEU A 27 4.738 -3.960 0.645 1.00 0.00 H new ATOM 0 HA LEU A 27 5.085 -2.527 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.117 -1.628 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.964 -1.201 2.703 1.00 0.00 H new ATOM 0 HG LEU A 27 5.355 -0.490 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.415 1.787 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.339 0.617 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.963 1.196 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.867 1.081 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.472 0.461 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.851 -0.607 3.376 1.00 0.00 H new ATOM 391 N LYS A 28 3.572 -4.274 3.990 1.00 0.00 N ATOM 392 CA LYS A 28 2.672 -5.275 4.549 1.00 0.00 C ATOM 393 C LYS A 28 1.711 -4.644 5.551 1.00 0.00 C ATOM 394 O LYS A 28 2.053 -3.672 6.226 1.00 0.00 O ATOM 395 CB LYS A 28 3.473 -6.389 5.226 1.00 0.00 C ATOM 396 CG LYS A 28 2.631 -7.590 5.620 1.00 0.00 C ATOM 397 CD LYS A 28 3.496 -8.747 6.093 1.00 0.00 C ATOM 398 CE LYS A 28 2.737 -10.064 6.051 1.00 0.00 C ATOM 399 NZ LYS A 28 1.975 -10.306 7.307 1.00 0.00 N ATOM 0 H LYS A 28 4.334 -3.999 4.610 1.00 0.00 H new ATOM 0 HA LYS A 28 2.089 -5.700 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.265 -6.716 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.957 -5.987 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.938 -7.305 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.029 -7.909 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.385 -8.818 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.838 -8.555 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.050 -10.060 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.439 -10.882 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.583 -11.269 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.610 -10.201 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.199 -9.617 7.380 1.00 0.00 H new ATOM 413 N CYS A 29 0.510 -5.203 5.644 1.00 0.00 N ATOM 414 CA CYS A 29 -0.501 -4.695 6.566 1.00 0.00 C ATOM 415 C CYS A 29 -1.314 -5.838 7.165 1.00 0.00 C ATOM 416 O CYS A 29 -1.424 -6.910 6.572 1.00 0.00 O ATOM 417 CB CYS A 29 -1.429 -3.714 5.847 1.00 0.00 C ATOM 418 SG CYS A 29 -2.142 -2.449 6.925 1.00 0.00 S ATOM 0 H CYS A 29 0.212 -6.008 5.093 1.00 0.00 H new ATOM 0 HA CYS A 29 0.010 -4.174 7.376 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.873 -3.224 5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.238 -4.273 5.377 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.439 -2.541 6.903 1.00 0.00 H new ATOM 424 N GLU A 30 -1.880 -5.600 8.344 1.00 0.00 N ATOM 425 CA GLU A 30 -2.681 -6.611 9.024 1.00 0.00 C ATOM 426 C GLU A 30 -3.914 -5.985 9.669 1.00 0.00 C ATOM 427 O GLU A 30 -3.820 -4.963 10.350 1.00 0.00 O ATOM 428 CB GLU A 30 -1.844 -7.327 10.086 1.00 0.00 C ATOM 429 CG GLU A 30 -2.520 -8.557 10.667 1.00 0.00 C ATOM 430 CD GLU A 30 -1.529 -9.560 11.224 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.776 -9.199 12.152 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.506 -10.707 10.730 1.00 0.00 O ATOM 0 H GLU A 30 -1.799 -4.717 8.848 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.010 -7.337 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.890 -7.620 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.623 -6.629 10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.205 -8.251 11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.120 -9.036 9.894 1.00 0.00 H new ATOM 439 N ILE A 31 -5.068 -6.605 9.449 1.00 0.00 N ATOM 440 CA ILE A 31 -6.319 -6.109 10.009 1.00 0.00 C ATOM 441 C ILE A 31 -7.076 -7.218 10.733 1.00 0.00 C ATOM 442 O ILE A 31 -6.707 -8.390 10.651 1.00 0.00 O ATOM 443 CB ILE A 31 -7.227 -5.512 8.918 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.371 -6.491 7.751 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.669 -4.182 8.434 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.220 -5.960 6.618 1.00 0.00 C ATOM 0 H ILE A 31 -5.163 -7.451 8.887 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.057 -5.326 10.721 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.215 -5.336 9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.380 -6.735 7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.809 -7.419 8.118 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.322 -3.773 7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.613 -3.485 9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.672 -4.334 8.022 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.278 -6.707 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.223 -5.742 6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.772 -5.048 6.224 1.00 0.00 H new ATOM 458 N SER A 32 -8.136 -6.841 11.439 1.00 0.00 N ATOM 459 CA SER A 32 -8.944 -7.803 12.179 1.00 0.00 C ATOM 460 C SER A 32 -10.162 -8.230 11.365 1.00 0.00 C ATOM 461 O SER A 32 -11.175 -8.653 11.920 1.00 0.00 O ATOM 462 CB SER A 32 -9.393 -7.205 13.514 1.00 0.00 C ATOM 463 OG SER A 32 -10.358 -6.187 13.318 1.00 0.00 O ATOM 0 H SER A 32 -8.456 -5.875 11.514 1.00 0.00 H new ATOM 0 HA SER A 32 -8.330 -8.683 12.371 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.810 -7.989 14.145 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.531 -6.797 14.041 1.00 0.00 H new ATOM 0 HG SER A 32 -10.630 -5.822 14.186 1.00 0.00 H new ATOM 469 N GLU A 33 -10.054 -8.114 10.045 1.00 0.00 N ATOM 470 CA GLU A 33 -11.146 -8.487 9.154 1.00 0.00 C ATOM 471 C GLU A 33 -10.610 -9.026 7.831 1.00 0.00 C ATOM 472 O GLU A 33 -9.516 -8.665 7.400 1.00 0.00 O ATOM 473 CB GLU A 33 -12.056 -7.284 8.896 1.00 0.00 C ATOM 474 CG GLU A 33 -13.016 -6.991 10.036 1.00 0.00 C ATOM 475 CD GLU A 33 -14.179 -7.963 10.084 1.00 0.00 C ATOM 476 OE1 GLU A 33 -15.110 -7.816 9.265 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.158 -8.871 10.942 1.00 0.00 O ATOM 0 H GLU A 33 -9.222 -7.765 9.570 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.724 -9.274 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.438 -6.404 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.629 -7.461 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.475 -7.031 10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.400 -5.976 9.931 1.00 0.00 H new ATOM 484 N ASN A 34 -11.389 -9.893 7.193 1.00 0.00 N ATOM 485 CA ASN A 34 -10.993 -10.484 5.920 1.00 0.00 C ATOM 486 C ASN A 34 -11.838 -9.931 4.777 1.00 0.00 C ATOM 487 O ASN A 34 -12.728 -10.610 4.265 1.00 0.00 O ATOM 488 CB ASN A 34 -11.126 -12.007 5.977 1.00 0.00 C ATOM 489 CG ASN A 34 -10.364 -12.697 4.861 1.00 0.00 C ATOM 490 OD1 ASN A 34 -9.447 -13.478 5.112 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.743 -12.409 3.621 1.00 0.00 N ATOM 0 H ASN A 34 -12.298 -10.202 7.537 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.951 -10.224 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.759 -12.365 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.180 -12.279 5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.268 -12.842 2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.509 -11.755 3.461 1.00 0.00 H new ATOM 498 N ILE A 35 -11.553 -8.694 4.382 1.00 0.00 N ATOM 499 CA ILE A 35 -12.286 -8.051 3.299 1.00 0.00 C ATOM 500 C ILE A 35 -11.333 -7.415 2.292 1.00 0.00 C ATOM 501 O ILE A 35 -10.247 -6.949 2.637 1.00 0.00 O ATOM 502 CB ILE A 35 -13.246 -6.972 3.832 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.466 -5.885 4.575 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.292 -7.597 4.743 1.00 0.00 C ATOM 505 CD1 ILE A 35 -13.105 -4.517 4.490 1.00 0.00 C ATOM 0 H ILE A 35 -10.820 -8.118 4.796 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.866 -8.830 2.805 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.757 -6.512 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.372 -6.169 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.456 -5.831 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.963 -6.822 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.865 -8.337 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.798 -8.080 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.498 -3.797 5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.174 -4.212 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.104 -4.555 4.924 1.00 0.00 H new ATOM 517 N PRO A 36 -11.747 -7.393 1.017 1.00 0.00 N ATOM 518 CA PRO A 36 -10.947 -6.815 -0.066 1.00 0.00 C ATOM 519 C PRO A 36 -10.851 -5.296 0.032 1.00 0.00 C ATOM 520 O PRO A 36 -11.841 -4.617 0.300 1.00 0.00 O ATOM 521 CB PRO A 36 -11.710 -7.222 -1.329 1.00 0.00 C ATOM 522 CG PRO A 36 -13.116 -7.414 -0.875 1.00 0.00 C ATOM 523 CD PRO A 36 -13.030 -7.931 0.534 1.00 0.00 C ATOM 0 HA PRO A 36 -9.916 -7.168 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.644 -6.452 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.304 -8.138 -1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.670 -6.476 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.641 -8.120 -1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.866 -7.583 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.046 -9.020 0.564 1.00 0.00 H new ATOM 531 N GLY A 37 -9.650 -4.768 -0.189 1.00 0.00 N ATOM 532 CA GLY A 37 -9.448 -3.332 -0.121 1.00 0.00 C ATOM 533 C GLY A 37 -8.650 -2.803 -1.296 1.00 0.00 C ATOM 534 O GLY A 37 -8.275 -3.559 -2.193 1.00 0.00 O ATOM 0 H GLY A 37 -8.815 -5.308 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.417 -2.833 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.931 -3.084 0.806 1.00 0.00 H new ATOM 538 N LYS A 38 -8.390 -1.500 -1.295 1.00 0.00 N ATOM 539 CA LYS A 38 -7.631 -0.870 -2.368 1.00 0.00 C ATOM 540 C LYS A 38 -6.636 0.143 -1.810 1.00 0.00 C ATOM 541 O LYS A 38 -6.882 0.762 -0.774 1.00 0.00 O ATOM 542 CB LYS A 38 -8.579 -0.180 -3.353 1.00 0.00 C ATOM 543 CG LYS A 38 -7.964 0.064 -4.720 1.00 0.00 C ATOM 544 CD LYS A 38 -8.935 0.771 -5.650 1.00 0.00 C ATOM 545 CE LYS A 38 -9.003 2.262 -5.355 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.016 2.574 -4.309 1.00 0.00 N ATOM 0 H LYS A 38 -8.694 -0.859 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.075 -1.648 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.474 -0.790 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.896 0.774 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.060 0.664 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.664 -0.887 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.627 0.617 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.927 0.332 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.024 2.613 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.247 2.803 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.558 3.416 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.662 1.767 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.536 2.758 -3.405 1.00 0.00 H new ATOM 560 N TRP A 39 -5.515 0.307 -2.502 1.00 0.00 N ATOM 561 CA TRP A 39 -4.484 1.246 -2.075 1.00 0.00 C ATOM 562 C TRP A 39 -4.580 2.552 -2.856 1.00 0.00 C ATOM 563 O TRP A 39 -5.097 2.583 -3.973 1.00 0.00 O ATOM 564 CB TRP A 39 -3.096 0.629 -2.258 1.00 0.00 C ATOM 565 CG TRP A 39 -2.902 -0.637 -1.480 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.700 -1.745 -1.507 1.00 0.00 C ATOM 567 CD2 TRP A 39 -1.843 -0.925 -0.561 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.201 -2.704 -0.658 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.062 -2.226 -0.067 1.00 0.00 C ATOM 570 CE3 TRP A 39 -0.731 -0.210 -0.108 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.209 -2.824 0.857 1.00 0.00 C ATOM 572 CZ3 TRP A 39 0.114 -0.805 0.810 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.128 -2.102 1.283 1.00 0.00 C ATOM 0 H TRP A 39 -5.296 -0.198 -3.361 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.641 1.464 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.933 0.425 -3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.341 1.354 -1.953 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.592 -1.852 -2.107 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.613 -3.623 -0.495 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.535 0.789 -0.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.394 -3.823 1.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.975 -0.261 1.169 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.553 -2.540 1.998 1.00 0.00 H new ATOM 584 N THR A 40 -4.079 3.631 -2.261 1.00 0.00 N ATOM 585 CA THR A 40 -4.109 4.940 -2.901 1.00 0.00 C ATOM 586 C THR A 40 -2.848 5.735 -2.585 1.00 0.00 C ATOM 587 O THR A 40 -2.379 5.751 -1.447 1.00 0.00 O ATOM 588 CB THR A 40 -5.340 5.753 -2.458 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.364 5.867 -1.031 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.625 5.097 -2.941 1.00 0.00 C ATOM 0 H THR A 40 -3.648 3.623 -1.337 1.00 0.00 H new ATOM 0 HA THR A 40 -4.165 4.766 -3.976 1.00 0.00 H new ATOM 0 HB THR A 40 -5.270 6.747 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.964 5.066 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.480 5.689 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.617 5.038 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.700 4.093 -2.524 1.00 0.00 H new ATOM 598 N LYS A 41 -2.302 6.397 -3.600 1.00 0.00 N ATOM 599 CA LYS A 41 -1.095 7.197 -3.432 1.00 0.00 C ATOM 600 C LYS A 41 -1.381 8.673 -3.689 1.00 0.00 C ATOM 601 O LYS A 41 -2.164 9.018 -4.573 1.00 0.00 O ATOM 602 CB LYS A 41 0.004 6.707 -4.378 1.00 0.00 C ATOM 603 CG LYS A 41 1.408 6.919 -3.840 1.00 0.00 C ATOM 604 CD LYS A 41 1.929 8.307 -4.174 1.00 0.00 C ATOM 605 CE LYS A 41 2.572 8.344 -5.553 1.00 0.00 C ATOM 606 NZ LYS A 41 1.565 8.557 -6.629 1.00 0.00 N ATOM 0 H LYS A 41 -2.677 6.395 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.755 7.084 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.144 5.645 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.092 7.224 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.409 6.779 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.077 6.168 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.109 9.024 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.657 8.614 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.314 9.142 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.102 7.409 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.002 9.080 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.224 7.636 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.765 9.104 -6.252 1.00 0.00 H new ATOM 620 N ASN A 42 -0.739 9.540 -2.912 1.00 0.00 N ATOM 621 CA ASN A 42 -0.924 10.979 -3.058 1.00 0.00 C ATOM 622 C ASN A 42 -2.399 11.322 -3.246 1.00 0.00 C ATOM 623 O ASN A 42 -2.743 12.254 -3.972 1.00 0.00 O ATOM 624 CB ASN A 42 -0.112 11.502 -4.245 1.00 0.00 C ATOM 625 CG ASN A 42 1.336 11.770 -3.882 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.630 12.316 -2.819 1.00 0.00 O ATOM 627 ND2 ASN A 42 2.248 11.385 -4.767 1.00 0.00 N ATOM 0 H ASN A 42 -0.087 9.271 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.571 11.459 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.152 10.776 -5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.567 12.420 -4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.239 11.538 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.958 10.936 -5.636 1.00 0.00 H new ATOM 634 N GLY A 43 -3.266 10.561 -2.585 1.00 0.00 N ATOM 635 CA GLY A 43 -4.694 10.800 -2.692 1.00 0.00 C ATOM 636 C GLY A 43 -5.242 10.434 -4.056 1.00 0.00 C ATOM 637 O GLY A 43 -6.088 11.142 -4.605 1.00 0.00 O ATOM 0 H GLY A 43 -3.006 9.784 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.214 10.222 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.899 11.852 -2.492 1.00 0.00 H new ATOM 641 N LEU A 44 -4.760 9.326 -4.608 1.00 0.00 N ATOM 642 CA LEU A 44 -5.206 8.867 -5.919 1.00 0.00 C ATOM 643 C LEU A 44 -5.248 7.343 -5.977 1.00 0.00 C ATOM 644 O LEU A 44 -4.487 6.651 -5.302 1.00 0.00 O ATOM 645 CB LEU A 44 -4.281 9.405 -7.012 1.00 0.00 C ATOM 646 CG LEU A 44 -3.084 8.525 -7.371 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.479 7.482 -8.405 1.00 0.00 C ATOM 648 CD2 LEU A 44 -1.930 9.375 -7.883 1.00 0.00 C ATOM 0 H LEU A 44 -4.060 8.729 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.214 9.247 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.872 9.565 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.908 10.380 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.756 8.008 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.614 6.865 -8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.272 6.852 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.834 7.980 -9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.087 8.731 -8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.246 9.921 -8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.629 10.083 -7.111 1.00 0.00 H new ATOM 660 N PRO A 45 -6.157 6.807 -6.805 1.00 0.00 N ATOM 661 CA PRO A 45 -6.318 5.360 -6.974 1.00 0.00 C ATOM 662 C PRO A 45 -5.138 4.726 -7.702 1.00 0.00 C ATOM 663 O PRO A 45 -4.941 4.947 -8.897 1.00 0.00 O ATOM 664 CB PRO A 45 -7.592 5.241 -7.815 1.00 0.00 C ATOM 665 CG PRO A 45 -7.679 6.530 -8.555 1.00 0.00 C ATOM 666 CD PRO A 45 -7.097 7.573 -7.641 1.00 0.00 C ATOM 0 HA PRO A 45 -6.372 4.842 -6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.537 4.395 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.469 5.086 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.125 6.480 -9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.713 6.766 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.589 8.359 -8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.868 8.056 -7.040 1.00 0.00 H new ATOM 674 N VAL A 46 -4.354 3.937 -6.974 1.00 0.00 N ATOM 675 CA VAL A 46 -3.194 3.269 -7.551 1.00 0.00 C ATOM 676 C VAL A 46 -3.607 2.311 -8.663 1.00 0.00 C ATOM 677 O VAL A 46 -4.487 1.472 -8.476 1.00 0.00 O ATOM 678 CB VAL A 46 -2.406 2.488 -6.482 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.178 1.834 -7.095 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.014 3.406 -5.333 1.00 0.00 C ATOM 0 H VAL A 46 -4.501 3.745 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.555 4.048 -7.966 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.047 1.701 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.634 1.287 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.487 1.144 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.531 2.601 -7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.458 2.838 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.390 4.216 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.912 3.822 -4.877 1.00 0.00 H new ATOM 690 N GLN A 47 -2.965 2.443 -9.819 1.00 0.00 N ATOM 691 CA GLN A 47 -3.267 1.589 -10.961 1.00 0.00 C ATOM 692 C GLN A 47 -2.451 0.302 -10.909 1.00 0.00 C ATOM 693 O GLN A 47 -1.224 0.329 -11.005 1.00 0.00 O ATOM 694 CB GLN A 47 -2.986 2.332 -12.269 1.00 0.00 C ATOM 695 CG GLN A 47 -4.023 3.393 -12.601 1.00 0.00 C ATOM 696 CD GLN A 47 -3.635 4.232 -13.802 1.00 0.00 C ATOM 697 OE1 GLN A 47 -2.606 3.994 -14.434 1.00 0.00 O ATOM 698 NE2 GLN A 47 -4.459 5.222 -14.124 1.00 0.00 N ATOM 0 H GLN A 47 -2.233 3.133 -9.989 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.325 1.329 -10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.005 2.802 -12.206 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.942 1.611 -13.085 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.982 2.911 -12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.161 4.044 -11.737 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.302 5.384 -13.572 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.249 5.821 -14.923 1.00 0.00 H new ATOM 707 N GLU A 48 -3.140 -0.825 -10.756 1.00 0.00 N ATOM 708 CA GLU A 48 -2.478 -2.122 -10.689 1.00 0.00 C ATOM 709 C GLU A 48 -2.001 -2.561 -12.071 1.00 0.00 C ATOM 710 O GLU A 48 -2.763 -2.543 -13.037 1.00 0.00 O ATOM 711 CB GLU A 48 -3.425 -3.173 -10.107 1.00 0.00 C ATOM 712 CG GLU A 48 -3.933 -2.831 -8.716 1.00 0.00 C ATOM 713 CD GLU A 48 -4.997 -3.797 -8.230 1.00 0.00 C ATOM 714 OE1 GLU A 48 -4.652 -4.960 -7.934 1.00 0.00 O ATOM 715 OE2 GLU A 48 -6.174 -3.389 -8.146 1.00 0.00 O ATOM 0 H GLU A 48 -4.156 -0.865 -10.676 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.610 -2.025 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.277 -3.293 -10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.910 -4.133 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.097 -2.835 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.340 -1.820 -8.720 1.00 0.00 H new ATOM 722 N SER A 49 -0.734 -2.954 -12.155 1.00 0.00 N ATOM 723 CA SER A 49 -0.153 -3.393 -13.419 1.00 0.00 C ATOM 724 C SER A 49 0.898 -4.474 -13.186 1.00 0.00 C ATOM 725 O SER A 49 1.260 -4.769 -12.047 1.00 0.00 O ATOM 726 CB SER A 49 0.473 -2.207 -14.156 1.00 0.00 C ATOM 727 OG SER A 49 -0.486 -1.193 -14.399 1.00 0.00 O ATOM 0 H SER A 49 -0.091 -2.978 -11.364 1.00 0.00 H new ATOM 0 HA SER A 49 -0.951 -3.812 -14.032 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.294 -1.801 -13.566 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.897 -2.545 -15.102 1.00 0.00 H new ATOM 0 HG SER A 49 -0.060 -0.446 -14.869 1.00 0.00 H new ATOM 733 N ASP A 50 1.384 -5.061 -14.274 1.00 0.00 N ATOM 734 CA ASP A 50 2.395 -6.110 -14.191 1.00 0.00 C ATOM 735 C ASP A 50 3.423 -5.788 -13.111 1.00 0.00 C ATOM 736 O ASP A 50 3.774 -6.645 -12.300 1.00 0.00 O ATOM 737 CB ASP A 50 3.091 -6.284 -15.541 1.00 0.00 C ATOM 738 CG ASP A 50 2.156 -6.812 -16.611 1.00 0.00 C ATOM 739 OD1 ASP A 50 1.522 -7.863 -16.381 1.00 0.00 O ATOM 740 OD2 ASP A 50 2.057 -6.173 -17.679 1.00 0.00 O ATOM 0 H ASP A 50 1.095 -4.829 -15.224 1.00 0.00 H new ATOM 0 HA ASP A 50 1.896 -7.042 -13.926 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.501 -5.326 -15.861 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.932 -6.968 -15.427 1.00 0.00 H new ATOM 745 N ARG A 51 3.904 -4.549 -13.109 1.00 0.00 N ATOM 746 CA ARG A 51 4.894 -4.115 -12.131 1.00 0.00 C ATOM 747 C ARG A 51 4.264 -3.965 -10.749 1.00 0.00 C ATOM 748 O ARG A 51 4.807 -4.444 -9.753 1.00 0.00 O ATOM 749 CB ARG A 51 5.522 -2.789 -12.563 1.00 0.00 C ATOM 750 CG ARG A 51 4.518 -1.656 -12.703 1.00 0.00 C ATOM 751 CD ARG A 51 5.128 -0.455 -13.408 1.00 0.00 C ATOM 752 NE ARG A 51 4.977 -0.537 -14.858 1.00 0.00 N ATOM 753 CZ ARG A 51 5.249 0.467 -15.684 1.00 0.00 C ATOM 754 NH1 ARG A 51 5.683 1.625 -15.204 1.00 0.00 N ATOM 755 NH2 ARG A 51 5.087 0.315 -16.992 1.00 0.00 N ATOM 0 H ARG A 51 3.624 -3.828 -13.774 1.00 0.00 H new ATOM 0 HA ARG A 51 5.672 -4.877 -12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.281 -2.502 -11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.031 -2.931 -13.516 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.650 -2.005 -13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.163 -1.359 -11.716 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.655 0.457 -13.045 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.186 -0.386 -13.157 1.00 0.00 H new ATOM 0 HE ARG A 51 4.644 -1.414 -15.259 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.808 1.746 -14.199 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.891 2.395 -15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.753 -0.574 -17.365 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.296 1.087 -17.625 1.00 0.00 H new ATOM 769 N LEU A 52 3.117 -3.298 -10.697 1.00 0.00 N ATOM 770 CA LEU A 52 2.413 -3.084 -9.437 1.00 0.00 C ATOM 771 C LEU A 52 1.318 -4.128 -9.242 1.00 0.00 C ATOM 772 O LEU A 52 0.248 -4.042 -9.844 1.00 0.00 O ATOM 773 CB LEU A 52 1.807 -1.680 -9.401 1.00 0.00 C ATOM 774 CG LEU A 52 1.649 -1.053 -8.015 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.748 0.462 -8.101 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.326 -1.468 -7.389 1.00 0.00 C ATOM 0 H LEU A 52 2.654 -2.896 -11.512 1.00 0.00 H new ATOM 0 HA LEU A 52 3.133 -3.183 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.429 -1.022 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.826 -1.717 -9.875 1.00 0.00 H new ATOM 0 HG LEU A 52 2.457 -1.414 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.633 0.891 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.721 0.741 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.961 0.842 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.231 -1.012 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.496 -1.136 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.294 -2.553 -7.292 1.00 0.00 H new ATOM 788 N LYS A 53 1.593 -5.114 -8.394 1.00 0.00 N ATOM 789 CA LYS A 53 0.631 -6.174 -8.115 1.00 0.00 C ATOM 790 C LYS A 53 0.166 -6.118 -6.664 1.00 0.00 C ATOM 791 O LYS A 53 0.975 -6.179 -5.739 1.00 0.00 O ATOM 792 CB LYS A 53 1.249 -7.543 -8.411 1.00 0.00 C ATOM 793 CG LYS A 53 0.222 -8.633 -8.660 1.00 0.00 C ATOM 794 CD LYS A 53 -0.393 -8.515 -10.044 1.00 0.00 C ATOM 795 CE LYS A 53 -1.542 -9.494 -10.230 1.00 0.00 C ATOM 796 NZ LYS A 53 -2.355 -9.174 -11.435 1.00 0.00 N ATOM 0 H LYS A 53 2.474 -5.201 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.234 -6.025 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.896 -7.459 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.881 -7.836 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.694 -9.610 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.563 -8.574 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.752 -7.498 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.370 -8.701 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.146 -10.506 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.180 -9.477 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.127 -9.864 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.754 -8.218 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.752 -9.215 -12.281 1.00 0.00 H new ATOM 810 N VAL A 54 -1.145 -6.002 -6.471 1.00 0.00 N ATOM 811 CA VAL A 54 -1.718 -5.940 -5.132 1.00 0.00 C ATOM 812 C VAL A 54 -2.211 -7.311 -4.682 1.00 0.00 C ATOM 813 O VAL A 54 -3.265 -7.777 -5.116 1.00 0.00 O ATOM 814 CB VAL A 54 -2.887 -4.939 -5.068 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.529 -4.955 -3.689 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.411 -3.540 -5.428 1.00 0.00 C ATOM 0 H VAL A 54 -1.829 -5.949 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.926 -5.605 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.640 -5.240 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.353 -4.242 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.908 -5.955 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.787 -4.680 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.250 -2.846 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.638 -3.227 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.003 -3.543 -6.439 1.00 0.00 H new ATOM 826 N VAL A 55 -1.442 -7.952 -3.808 1.00 0.00 N ATOM 827 CA VAL A 55 -1.801 -9.270 -3.296 1.00 0.00 C ATOM 828 C VAL A 55 -2.617 -9.157 -2.013 1.00 0.00 C ATOM 829 O VAL A 55 -2.326 -8.327 -1.153 1.00 0.00 O ATOM 830 CB VAL A 55 -0.550 -10.126 -3.024 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.946 -11.495 -2.493 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.291 -10.256 -4.284 1.00 0.00 C ATOM 0 H VAL A 55 -0.566 -7.580 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.403 -9.755 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 55 0.052 -9.628 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.049 -12.086 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.503 -11.378 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.570 -12.004 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.171 -10.864 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.299 -10.731 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.605 -9.266 -4.616 1.00 0.00 H new ATOM 842 N GLN A 56 -3.638 -10.000 -1.892 1.00 0.00 N ATOM 843 CA GLN A 56 -4.496 -9.995 -0.713 1.00 0.00 C ATOM 844 C GLN A 56 -4.325 -11.280 0.090 1.00 0.00 C ATOM 845 O GLN A 56 -4.321 -12.377 -0.467 1.00 0.00 O ATOM 846 CB GLN A 56 -5.960 -9.826 -1.122 1.00 0.00 C ATOM 847 CG GLN A 56 -6.811 -9.137 -0.068 1.00 0.00 C ATOM 848 CD GLN A 56 -8.264 -9.567 -0.118 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.797 -9.869 -1.186 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.913 -9.597 1.039 1.00 0.00 N ATOM 0 H GLN A 56 -3.891 -10.694 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.203 -9.154 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.006 -9.251 -2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.384 -10.807 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.405 -9.355 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.751 -8.058 -0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.432 -9.339 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.893 -9.879 1.067 1.00 0.00 H new ATOM 859 N LYS A 57 -4.183 -11.136 1.404 1.00 0.00 N ATOM 860 CA LYS A 57 -4.012 -12.285 2.285 1.00 0.00 C ATOM 861 C LYS A 57 -4.997 -12.229 3.448 1.00 0.00 C ATOM 862 O LYS A 57 -5.445 -11.154 3.844 1.00 0.00 O ATOM 863 CB LYS A 57 -2.579 -12.336 2.819 1.00 0.00 C ATOM 864 CG LYS A 57 -1.554 -12.740 1.773 1.00 0.00 C ATOM 865 CD LYS A 57 -1.668 -14.215 1.423 1.00 0.00 C ATOM 866 CE LYS A 57 -0.787 -15.070 2.321 1.00 0.00 C ATOM 867 NZ LYS A 57 0.650 -14.699 2.205 1.00 0.00 N ATOM 0 H LYS A 57 -4.183 -10.235 1.882 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.210 -13.187 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.313 -11.357 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.535 -13.040 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.694 -12.140 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.551 -12.529 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.706 -14.534 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.383 -14.366 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.108 -14.959 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.913 -16.121 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.240 -15.537 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.839 -14.338 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.876 -13.963 2.904 1.00 0.00 H new ATOM 881 N GLY A 58 -5.330 -13.396 3.993 1.00 0.00 N ATOM 882 CA GLY A 58 -6.259 -13.457 5.107 1.00 0.00 C ATOM 883 C GLY A 58 -5.945 -12.433 6.180 1.00 0.00 C ATOM 884 O GLY A 58 -4.907 -12.511 6.837 1.00 0.00 O ATOM 0 H GLY A 58 -4.973 -14.300 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.273 -13.295 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.233 -14.456 5.543 1.00 0.00 H new ATOM 888 N ARG A 59 -6.843 -11.470 6.357 1.00 0.00 N ATOM 889 CA ARG A 59 -6.656 -10.425 7.356 1.00 0.00 C ATOM 890 C ARG A 59 -5.263 -9.810 7.246 1.00 0.00 C ATOM 891 O ARG A 59 -4.659 -9.432 8.250 1.00 0.00 O ATOM 892 CB ARG A 59 -6.865 -10.990 8.762 1.00 0.00 C ATOM 893 CG ARG A 59 -7.969 -12.032 8.842 1.00 0.00 C ATOM 894 CD ARG A 59 -8.567 -12.104 10.238 1.00 0.00 C ATOM 895 NE ARG A 59 -7.705 -12.830 11.167 1.00 0.00 N ATOM 896 CZ ARG A 59 -8.021 -13.060 12.436 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.173 -12.624 12.926 1.00 0.00 N ATOM 898 NH2 ARG A 59 -7.183 -13.729 13.219 1.00 0.00 N ATOM 0 H ARG A 59 -7.708 -11.392 5.821 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.395 -9.645 7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.932 -11.434 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.100 -10.171 9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.751 -11.791 8.122 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.570 -13.008 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.734 -11.094 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.541 -12.592 10.190 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.811 -13.180 10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.820 -12.110 12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.413 -12.802 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.296 -14.067 12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.426 -13.905 14.194 1.00 0.00 H new ATOM 912 N ILE A 60 -4.760 -9.715 6.019 1.00 0.00 N ATOM 913 CA ILE A 60 -3.440 -9.146 5.778 1.00 0.00 C ATOM 914 C ILE A 60 -3.317 -8.629 4.349 1.00 0.00 C ATOM 915 O ILE A 60 -3.750 -9.286 3.400 1.00 0.00 O ATOM 916 CB ILE A 60 -2.327 -10.179 6.036 1.00 0.00 C ATOM 917 CG1 ILE A 60 -2.379 -10.666 7.485 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.965 -9.578 5.722 1.00 0.00 C ATOM 919 CD1 ILE A 60 -1.257 -11.615 7.844 1.00 0.00 C ATOM 0 H ILE A 60 -5.246 -10.025 5.178 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.322 -8.315 6.474 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.486 -11.035 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.342 -9.804 8.151 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.334 -11.163 7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.188 -10.319 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.933 -9.275 4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.796 -8.708 6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.357 -11.919 8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.306 -12.495 7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.299 -11.115 7.703 1.00 0.00 H new ATOM 931 N HIS A 61 -2.724 -7.449 4.201 1.00 0.00 N ATOM 932 CA HIS A 61 -2.541 -6.845 2.886 1.00 0.00 C ATOM 933 C HIS A 61 -1.061 -6.614 2.595 1.00 0.00 C ATOM 934 O HIS A 61 -0.347 -6.009 3.394 1.00 0.00 O ATOM 935 CB HIS A 61 -3.302 -5.521 2.800 1.00 0.00 C ATOM 936 CG HIS A 61 -4.757 -5.686 2.487 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.261 -5.640 1.205 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.819 -5.901 3.299 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.570 -5.817 1.241 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.933 -5.977 2.501 1.00 0.00 N ATOM 0 H HIS A 61 -2.362 -6.892 4.975 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.937 -7.533 2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.200 -4.991 3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.843 -4.896 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.794 -5.995 4.375 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.230 -5.829 0.386 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.887 -6.132 2.828 1.00 0.00 H new ATOM 949 N LYS A 62 -0.607 -7.101 1.445 1.00 0.00 N ATOM 950 CA LYS A 62 0.788 -6.948 1.047 1.00 0.00 C ATOM 951 C LYS A 62 0.893 -6.292 -0.326 1.00 0.00 C ATOM 952 O LYS A 62 0.144 -6.627 -1.245 1.00 0.00 O ATOM 953 CB LYS A 62 1.486 -8.310 1.027 1.00 0.00 C ATOM 954 CG LYS A 62 2.988 -8.220 0.821 1.00 0.00 C ATOM 955 CD LYS A 62 3.713 -9.372 1.496 1.00 0.00 C ATOM 956 CE LYS A 62 3.076 -10.710 1.152 1.00 0.00 C ATOM 957 NZ LYS A 62 4.066 -11.822 1.192 1.00 0.00 N ATOM 0 H LYS A 62 -1.185 -7.605 0.772 1.00 0.00 H new ATOM 0 HA LYS A 62 1.280 -6.305 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.287 -8.825 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.054 -8.919 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.211 -8.224 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.355 -7.274 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.759 -9.376 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.700 -9.229 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.267 -10.918 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.631 -10.656 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.593 -12.717 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.825 -11.636 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.473 -11.891 2.147 1.00 0.00 H new ATOM 971 N LEU A 63 1.826 -5.356 -0.459 1.00 0.00 N ATOM 972 CA LEU A 63 2.030 -4.653 -1.721 1.00 0.00 C ATOM 973 C LEU A 63 3.517 -4.503 -2.027 1.00 0.00 C ATOM 974 O LEU A 63 4.350 -4.487 -1.120 1.00 0.00 O ATOM 975 CB LEU A 63 1.367 -3.276 -1.674 1.00 0.00 C ATOM 976 CG LEU A 63 1.703 -2.329 -2.826 1.00 0.00 C ATOM 977 CD1 LEU A 63 0.540 -1.389 -3.102 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.967 -1.539 -2.515 1.00 0.00 C ATOM 0 H LEU A 63 2.453 -5.066 0.291 1.00 0.00 H new ATOM 0 HA LEU A 63 1.572 -5.243 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.286 -3.416 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.647 -2.792 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 63 1.881 -2.925 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.798 -0.723 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.342 -1.971 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.329 -0.799 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.192 -0.870 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.816 -0.954 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.799 -2.227 -2.368 1.00 0.00 H new ATOM 990 N VAL A 64 3.844 -4.392 -3.310 1.00 0.00 N ATOM 991 CA VAL A 64 5.230 -4.240 -3.736 1.00 0.00 C ATOM 992 C VAL A 64 5.313 -3.799 -5.193 1.00 0.00 C ATOM 993 O VAL A 64 4.631 -4.350 -6.058 1.00 0.00 O ATOM 994 CB VAL A 64 6.018 -5.552 -3.563 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.140 -6.749 -3.895 1.00 0.00 C ATOM 996 CG2 VAL A 64 7.268 -5.541 -4.429 1.00 0.00 C ATOM 0 H VAL A 64 3.167 -4.404 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 64 5.673 -3.472 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 64 6.327 -5.636 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.713 -7.667 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.278 -6.764 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.799 -6.675 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.812 -6.476 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.984 -5.434 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.905 -4.705 -4.139 1.00 0.00 H new ATOM 1006 N ILE A 65 6.151 -2.803 -5.457 1.00 0.00 N ATOM 1007 CA ILE A 65 6.324 -2.289 -6.810 1.00 0.00 C ATOM 1008 C ILE A 65 7.606 -2.822 -7.441 1.00 0.00 C ATOM 1009 O ILE A 65 8.638 -2.927 -6.780 1.00 0.00 O ATOM 1010 CB ILE A 65 6.358 -0.749 -6.827 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.432 -0.184 -5.748 1.00 0.00 C ATOM 1012 CG2 ILE A 65 5.962 -0.226 -8.200 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.536 1.316 -5.587 1.00 0.00 C ATOM 0 H ILE A 65 6.721 -2.336 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 65 5.467 -2.632 -7.390 1.00 0.00 H new ATOM 0 HB ILE A 65 7.375 -0.420 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.402 -0.444 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.664 -0.660 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.991 0.864 -8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.658 -0.605 -8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.953 -0.562 -8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.852 1.646 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.557 1.583 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.275 1.802 -6.527 1.00 0.00 H new ATOM 1025 N ALA A 66 7.532 -3.155 -8.726 1.00 0.00 N ATOM 1026 CA ALA A 66 8.688 -3.673 -9.448 1.00 0.00 C ATOM 1027 C ALA A 66 9.891 -2.748 -9.295 1.00 0.00 C ATOM 1028 O ALA A 66 10.893 -3.114 -8.682 1.00 0.00 O ATOM 1029 CB ALA A 66 8.349 -3.862 -10.919 1.00 0.00 C ATOM 0 H ALA A 66 6.684 -3.075 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 66 8.950 -4.640 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.221 -4.249 -11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.524 -4.568 -11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.059 -2.904 -11.351 1.00 0.00 H new ATOM 1035 N ASN A 67 9.784 -1.548 -9.857 1.00 0.00 N ATOM 1036 CA ASN A 67 10.865 -0.572 -9.783 1.00 0.00 C ATOM 1037 C ASN A 67 10.436 0.654 -8.982 1.00 0.00 C ATOM 1038 O ASN A 67 9.386 1.241 -9.240 1.00 0.00 O ATOM 1039 CB ASN A 67 11.296 -0.151 -11.190 1.00 0.00 C ATOM 1040 CG ASN A 67 12.092 -1.230 -11.897 1.00 0.00 C ATOM 1041 OD1 ASN A 67 13.202 -0.988 -12.372 1.00 0.00 O ATOM 1042 ND2 ASN A 67 11.527 -2.430 -11.971 1.00 0.00 N ATOM 0 H ASN A 67 8.961 -1.229 -10.368 1.00 0.00 H new ATOM 0 HA ASN A 67 11.709 -1.038 -9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.412 0.091 -11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.896 0.757 -11.127 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.015 -3.196 -12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.605 -2.586 -11.563 1.00 0.00 H new ATOM 1049 N ALA A 68 11.258 1.036 -8.010 1.00 0.00 N ATOM 1050 CA ALA A 68 10.966 2.193 -7.173 1.00 0.00 C ATOM 1051 C ALA A 68 11.245 3.494 -7.919 1.00 0.00 C ATOM 1052 O ALA A 68 12.382 3.966 -7.960 1.00 0.00 O ATOM 1053 CB ALA A 68 11.779 2.134 -5.889 1.00 0.00 C ATOM 0 H ALA A 68 12.132 0.561 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 68 9.906 2.170 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.551 3.004 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.528 1.226 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.842 2.129 -6.131 1.00 0.00 H new ATOM 1059 N LEU A 69 10.202 4.069 -8.507 1.00 0.00 N ATOM 1060 CA LEU A 69 10.335 5.316 -9.252 1.00 0.00 C ATOM 1061 C LEU A 69 10.089 6.519 -8.348 1.00 0.00 C ATOM 1062 O LEU A 69 9.367 6.427 -7.354 1.00 0.00 O ATOM 1063 CB LEU A 69 9.355 5.338 -10.427 1.00 0.00 C ATOM 1064 CG LEU A 69 9.394 4.124 -11.356 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.079 3.984 -12.107 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.558 4.235 -12.330 1.00 0.00 C ATOM 0 H LEU A 69 9.255 3.692 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 69 11.354 5.375 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.345 5.434 -10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.550 6.231 -11.021 1.00 0.00 H new ATOM 0 HG LEU A 69 9.539 3.230 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.125 3.115 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.264 3.857 -11.394 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.903 4.880 -12.703 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.570 3.363 -12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.445 5.137 -12.931 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.494 4.285 -11.774 1.00 0.00 H new ATOM 1078 N THR A 70 10.693 7.650 -8.699 1.00 0.00 N ATOM 1079 CA THR A 70 10.539 8.873 -7.921 1.00 0.00 C ATOM 1080 C THR A 70 9.068 9.224 -7.733 1.00 0.00 C ATOM 1081 O THR A 70 8.677 9.765 -6.700 1.00 0.00 O ATOM 1082 CB THR A 70 11.257 10.059 -8.591 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.421 9.599 -9.286 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.658 11.102 -7.558 1.00 0.00 C ATOM 0 H THR A 70 11.294 7.744 -9.518 1.00 0.00 H new ATOM 0 HA THR A 70 10.992 8.687 -6.947 1.00 0.00 H new ATOM 0 HB THR A 70 10.568 10.517 -9.300 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.870 10.359 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.164 11.930 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.767 11.472 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.331 10.651 -6.828 1.00 0.00 H new ATOM 1092 N GLU A 71 8.257 8.912 -8.739 1.00 0.00 N ATOM 1093 CA GLU A 71 6.828 9.196 -8.684 1.00 0.00 C ATOM 1094 C GLU A 71 6.162 8.418 -7.552 1.00 0.00 C ATOM 1095 O GLU A 71 5.182 8.875 -6.963 1.00 0.00 O ATOM 1096 CB GLU A 71 6.163 8.846 -10.017 1.00 0.00 C ATOM 1097 CG GLU A 71 6.298 7.381 -10.398 1.00 0.00 C ATOM 1098 CD GLU A 71 5.372 6.986 -11.532 1.00 0.00 C ATOM 1099 OE1 GLU A 71 5.390 7.667 -12.578 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.630 5.994 -11.373 1.00 0.00 O ATOM 0 H GLU A 71 8.565 8.463 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 71 6.703 10.262 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.105 9.103 -9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.601 9.459 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.329 7.178 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.084 6.762 -9.527 1.00 0.00 H new ATOM 1107 N ASP A 72 6.701 7.241 -7.254 1.00 0.00 N ATOM 1108 CA ASP A 72 6.161 6.399 -6.193 1.00 0.00 C ATOM 1109 C ASP A 72 6.254 7.101 -4.842 1.00 0.00 C ATOM 1110 O ASP A 72 5.417 6.891 -3.964 1.00 0.00 O ATOM 1111 CB ASP A 72 6.908 5.065 -6.141 1.00 0.00 C ATOM 1112 CG ASP A 72 6.669 4.219 -7.376 1.00 0.00 C ATOM 1113 OD1 ASP A 72 5.538 4.250 -7.907 1.00 0.00 O ATOM 1114 OD2 ASP A 72 7.612 3.527 -7.812 1.00 0.00 O ATOM 0 H ASP A 72 7.512 6.848 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 72 5.110 6.210 -6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.976 5.254 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.593 4.510 -5.257 1.00 0.00 H new ATOM 1119 N GLU A 73 7.278 7.934 -4.682 1.00 0.00 N ATOM 1120 CA GLU A 73 7.480 8.665 -3.437 1.00 0.00 C ATOM 1121 C GLU A 73 6.305 9.596 -3.155 1.00 0.00 C ATOM 1122 O GLU A 73 5.739 10.194 -4.070 1.00 0.00 O ATOM 1123 CB GLU A 73 8.780 9.471 -3.498 1.00 0.00 C ATOM 1124 CG GLU A 73 9.003 10.359 -2.286 1.00 0.00 C ATOM 1125 CD GLU A 73 8.288 11.691 -2.400 1.00 0.00 C ATOM 1126 OE1 GLU A 73 8.214 12.230 -3.524 1.00 0.00 O ATOM 1127 OE2 GLU A 73 7.802 12.195 -1.366 1.00 0.00 O ATOM 0 H GLU A 73 7.980 8.119 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 73 7.548 7.939 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.620 8.783 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.772 10.090 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.657 9.841 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.071 10.534 -2.160 1.00 0.00 H new ATOM 1134 N GLY A 74 5.941 9.713 -1.881 1.00 0.00 N ATOM 1135 CA GLY A 74 4.835 10.571 -1.501 1.00 0.00 C ATOM 1136 C GLY A 74 4.142 10.099 -0.239 1.00 0.00 C ATOM 1137 O GLY A 74 4.702 10.184 0.854 1.00 0.00 O ATOM 0 H GLY A 74 6.393 9.228 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.202 11.587 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.112 10.609 -2.316 1.00 0.00 H new ATOM 1141 N ASP A 75 2.919 9.601 -0.388 1.00 0.00 N ATOM 1142 CA ASP A 75 2.148 9.113 0.749 1.00 0.00 C ATOM 1143 C ASP A 75 1.121 8.076 0.306 1.00 0.00 C ATOM 1144 O ASP A 75 0.243 8.366 -0.507 1.00 0.00 O ATOM 1145 CB ASP A 75 1.446 10.276 1.453 1.00 0.00 C ATOM 1146 CG ASP A 75 2.308 11.521 1.513 1.00 0.00 C ATOM 1147 OD1 ASP A 75 3.100 11.648 2.471 1.00 0.00 O ATOM 1148 OD2 ASP A 75 2.191 12.370 0.604 1.00 0.00 O ATOM 0 H ASP A 75 2.441 9.525 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 75 2.838 8.638 1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.517 10.506 0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.177 9.975 2.465 1.00 0.00 H new ATOM 1153 N TYR A 76 1.238 6.867 0.843 1.00 0.00 N ATOM 1154 CA TYR A 76 0.322 5.786 0.500 1.00 0.00 C ATOM 1155 C TYR A 76 -0.804 5.680 1.524 1.00 0.00 C ATOM 1156 O TYR A 76 -0.646 6.071 2.681 1.00 0.00 O ATOM 1157 CB TYR A 76 1.076 4.458 0.415 1.00 0.00 C ATOM 1158 CG TYR A 76 1.958 4.340 -0.808 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.206 4.951 -0.850 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.544 3.618 -1.920 1.00 0.00 C ATOM 1161 CE1 TYR A 76 4.015 4.846 -1.965 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.347 3.507 -3.039 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.581 4.122 -3.057 1.00 0.00 C ATOM 1164 OH TYR A 76 4.383 4.015 -4.170 1.00 0.00 O ATOM 0 H TYR A 76 1.959 6.611 1.518 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.116 6.010 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.690 4.340 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.356 3.640 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.549 5.517 0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.578 3.135 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.981 5.328 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.010 2.941 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 76 4.735 4.899 -4.405 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.941 5.146 1.090 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.094 4.986 1.968 1.00 0.00 C ATOM 1176 C VAL A 77 -3.942 3.791 1.548 1.00 0.00 C ATOM 1177 O VAL A 77 -4.221 3.598 0.365 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.975 6.250 1.974 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -4.951 6.214 3.140 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.111 7.500 2.030 1.00 0.00 C ATOM 0 H VAL A 77 -2.088 4.817 0.136 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.706 4.818 2.973 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.551 6.275 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.565 7.115 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.592 5.337 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.397 6.165 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.749 8.384 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.507 7.485 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.456 7.529 1.159 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.351 2.989 2.527 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.168 1.812 2.259 1.00 0.00 C ATOM 1192 C PHE A 78 -6.560 1.967 2.864 1.00 0.00 C ATOM 1193 O PHE A 78 -6.705 2.292 4.041 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.493 0.558 2.820 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.405 -0.632 2.894 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.602 -1.441 1.787 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.066 -0.943 4.072 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.442 -2.537 1.852 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.907 -2.037 4.143 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.095 -2.836 3.032 1.00 0.00 C ATOM 0 H PHE A 78 -4.130 3.133 3.512 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.270 1.710 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.634 0.309 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.112 0.776 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.093 -1.213 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.922 -0.323 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.588 -3.159 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.417 -2.267 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.751 -3.692 3.086 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.583 1.732 2.047 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.963 1.844 2.501 1.00 0.00 C ATOM 1212 C ALA A 79 -9.802 0.671 2.002 1.00 0.00 C ATOM 1213 O ALA A 79 -9.869 0.389 0.806 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.566 3.161 2.036 1.00 0.00 C ATOM 0 H ALA A 79 -7.481 1.463 1.068 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.964 1.821 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.597 3.231 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.989 3.990 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.545 3.206 0.947 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.456 -0.030 2.940 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.302 -1.184 2.619 1.00 0.00 C ATOM 1222 C PRO A 80 -12.578 -0.782 1.889 1.00 0.00 C ATOM 1223 O PRO A 80 -13.106 0.311 2.097 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.634 -1.773 3.992 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.513 -0.627 4.936 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.421 0.249 4.385 1.00 0.00 C ATOM 0 HA PRO A 80 -10.801 -1.883 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.639 -2.195 4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.946 -2.577 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.453 -0.080 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.267 -0.973 5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.606 1.302 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.452 0.003 4.818 1.00 0.00 H new ATOM 1234 N ASP A 81 -13.071 -1.671 1.034 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.287 -1.409 0.274 1.00 0.00 C ATOM 1236 C ASP A 81 -15.526 -1.731 1.104 1.00 0.00 C ATOM 1237 O ASP A 81 -16.644 -1.744 0.589 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.295 -2.230 -1.016 1.00 0.00 C ATOM 1239 CG ASP A 81 -13.507 -1.568 -2.129 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -12.387 -1.089 -1.858 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -14.011 -1.528 -3.271 1.00 0.00 O ATOM 0 H ASP A 81 -12.647 -2.580 0.850 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.306 -0.349 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.878 -3.217 -0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.324 -2.378 -1.342 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.319 -1.991 2.390 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.419 -2.311 3.292 1.00 0.00 C ATOM 1248 C ALA A 82 -16.483 -1.325 4.453 1.00 0.00 C ATOM 1249 O ALA A 82 -17.563 -1.005 4.950 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.277 -3.734 3.812 1.00 0.00 C ATOM 0 H ALA A 82 -14.399 -1.986 2.831 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.351 -2.231 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.105 -3.960 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.290 -4.431 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.335 -3.832 4.351 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.320 -0.847 4.881 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.244 0.101 5.986 1.00 0.00 C ATOM 1258 C TYR A 83 -14.718 1.452 5.510 1.00 0.00 C ATOM 1259 O TYR A 83 -14.422 1.634 4.330 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.343 -0.447 7.094 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.794 -1.785 7.636 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.667 -2.942 6.876 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.349 -1.892 8.905 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -15.078 -4.166 7.366 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -15.761 -3.112 9.403 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.624 -4.246 8.630 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.036 -5.464 9.122 1.00 0.00 O ATOM 0 H TYR A 83 -14.417 -1.100 4.480 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.250 0.242 6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.327 -0.544 6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.308 0.273 7.911 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -14.240 -2.883 5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.460 -1.006 9.512 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.972 -5.056 6.763 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.188 -3.178 10.393 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.377 -6.151 8.889 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.606 2.397 6.439 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.117 3.732 6.115 1.00 0.00 C ATOM 1279 C ASN A 84 -12.859 4.059 6.915 1.00 0.00 C ATOM 1280 O ASN A 84 -12.831 5.021 7.682 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.199 4.776 6.396 1.00 0.00 C ATOM 1282 CG ASN A 84 -16.515 4.441 5.720 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -17.040 3.339 5.871 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -17.053 5.395 4.968 1.00 0.00 N ATOM 0 H ASN A 84 -14.847 2.263 7.421 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.868 3.753 5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.355 4.853 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.856 5.752 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.937 5.228 4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.582 6.295 4.871 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.820 3.251 6.730 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.559 3.455 7.432 1.00 0.00 C ATOM 1293 C VAL A 85 -9.432 3.774 6.457 1.00 0.00 C ATOM 1294 O VAL A 85 -9.461 3.357 5.298 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.171 2.215 8.260 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -9.935 1.018 7.352 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -8.939 2.504 9.106 1.00 0.00 C ATOM 0 H VAL A 85 -11.827 2.449 6.100 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.704 4.301 8.104 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.996 1.975 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.662 0.152 7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.846 0.799 6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.128 1.244 6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.679 1.618 9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.106 2.771 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.149 3.331 9.784 1.00 0.00 H new ATOM 1307 N THR A 86 -8.437 4.516 6.932 1.00 0.00 N ATOM 1308 CA THR A 86 -7.299 4.893 6.102 1.00 0.00 C ATOM 1309 C THR A 86 -5.988 4.740 6.865 1.00 0.00 C ATOM 1310 O THR A 86 -5.838 5.258 7.972 1.00 0.00 O ATOM 1311 CB THR A 86 -7.424 6.344 5.603 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.893 7.188 6.661 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.376 6.430 4.420 1.00 0.00 C ATOM 0 H THR A 86 -8.396 4.868 7.888 1.00 0.00 H new ATOM 0 HA THR A 86 -7.297 4.221 5.244 1.00 0.00 H new ATOM 0 HB THR A 86 -6.438 6.679 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.452 6.937 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.448 7.465 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.001 5.810 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.362 6.077 4.720 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.041 4.027 6.266 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.740 3.808 6.889 1.00 0.00 C ATOM 1323 C LEU A 87 -2.645 4.566 6.146 1.00 0.00 C ATOM 1324 O LEU A 87 -2.198 4.166 5.071 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.412 2.314 6.917 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.435 1.415 7.613 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.775 1.478 6.897 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.929 -0.019 7.676 1.00 0.00 C ATOM 0 H LEU A 87 -5.149 3.591 5.350 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.786 4.184 7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.294 1.969 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.448 2.183 7.410 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.573 1.776 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.490 0.832 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.143 2.504 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.653 1.143 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.670 -0.645 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.761 -0.390 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.993 -0.050 8.234 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.200 5.688 6.732 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.150 6.525 6.144 1.00 0.00 C ATOM 1342 C PRO A 88 0.216 5.849 6.177 1.00 0.00 C ATOM 1343 O PRO A 88 0.518 5.082 7.091 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.152 7.772 7.032 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.694 7.306 8.339 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.688 6.225 8.013 1.00 0.00 C ATOM 0 HA PRO A 88 -1.337 6.735 5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.148 8.180 7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.771 8.561 6.605 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.898 6.924 8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.170 8.125 8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.715 5.457 8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.699 6.622 7.923 1.00 0.00 H new ATOM 1354 N ALA A 89 1.040 6.140 5.175 1.00 0.00 N ATOM 1355 CA ALA A 89 2.375 5.562 5.092 1.00 0.00 C ATOM 1356 C ALA A 89 3.361 6.545 4.471 1.00 0.00 C ATOM 1357 O ALA A 89 3.097 7.124 3.417 1.00 0.00 O ATOM 1358 CB ALA A 89 2.342 4.269 4.291 1.00 0.00 C ATOM 0 H ALA A 89 0.806 6.773 4.410 1.00 0.00 H new ATOM 0 HA ALA A 89 2.711 5.341 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.346 3.849 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.676 3.557 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.980 4.474 3.283 1.00 0.00 H new ATOM 1364 N LYS A 90 4.499 6.732 5.132 1.00 0.00 N ATOM 1365 CA LYS A 90 5.526 7.645 4.645 1.00 0.00 C ATOM 1366 C LYS A 90 6.512 6.920 3.735 1.00 0.00 C ATOM 1367 O LYS A 90 7.050 5.873 4.095 1.00 0.00 O ATOM 1368 CB LYS A 90 6.273 8.279 5.821 1.00 0.00 C ATOM 1369 CG LYS A 90 5.542 9.457 6.442 1.00 0.00 C ATOM 1370 CD LYS A 90 4.492 8.998 7.440 1.00 0.00 C ATOM 1371 CE LYS A 90 4.212 10.067 8.486 1.00 0.00 C ATOM 1372 NZ LYS A 90 5.187 10.011 9.610 1.00 0.00 N ATOM 0 H LYS A 90 4.733 6.263 6.007 1.00 0.00 H new ATOM 0 HA LYS A 90 5.035 8.429 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.439 7.521 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.255 8.609 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.259 10.109 6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.067 10.046 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.570 8.753 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.830 8.086 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.252 11.051 8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.202 9.939 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.963 10.755 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.131 9.081 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.149 10.158 9.243 1.00 0.00 H new ATOM 1386 N VAL A 91 6.745 7.485 2.554 1.00 0.00 N ATOM 1387 CA VAL A 91 7.669 6.893 1.593 1.00 0.00 C ATOM 1388 C VAL A 91 8.749 7.888 1.185 1.00 0.00 C ATOM 1389 O VAL A 91 8.563 9.101 1.291 1.00 0.00 O ATOM 1390 CB VAL A 91 6.931 6.407 0.332 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.551 4.940 0.467 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.700 7.263 0.072 1.00 0.00 C ATOM 0 H VAL A 91 6.307 8.351 2.240 1.00 0.00 H new ATOM 0 HA VAL A 91 8.134 6.039 2.085 1.00 0.00 H new ATOM 0 HB VAL A 91 7.602 6.507 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.030 4.615 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.452 4.342 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.898 4.811 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.191 6.905 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.024 7.197 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.002 8.300 -0.072 1.00 0.00 H new ATOM 1402 N HIS A 92 9.879 7.368 0.716 1.00 0.00 N ATOM 1403 CA HIS A 92 10.990 8.211 0.290 1.00 0.00 C ATOM 1404 C HIS A 92 11.893 7.467 -0.689 1.00 0.00 C ATOM 1405 O HIS A 92 12.173 6.281 -0.512 1.00 0.00 O ATOM 1406 CB HIS A 92 11.801 8.673 1.501 1.00 0.00 C ATOM 1407 CG HIS A 92 12.480 9.993 1.300 1.00 0.00 C ATOM 1408 ND1 HIS A 92 11.905 11.196 1.653 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.692 10.295 0.780 1.00 0.00 C ATOM 1410 CE1 HIS A 92 12.735 12.181 1.357 1.00 0.00 C ATOM 1411 NE2 HIS A 92 13.827 11.661 0.827 1.00 0.00 N ATOM 0 H HIS A 92 10.049 6.367 0.621 1.00 0.00 H new ATOM 0 HA HIS A 92 10.578 9.084 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.140 8.742 2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.553 7.919 1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.418 9.592 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.551 13.233 1.521 1.00 0.00 H new ATOM 0 HE2 HIS A 92 14.639 12.188 0.505 1.00 0.00 H new ATOM 1420 N VAL A 93 12.345 8.170 -1.722 1.00 0.00 N ATOM 1421 CA VAL A 93 13.216 7.576 -2.729 1.00 0.00 C ATOM 1422 C VAL A 93 14.586 8.246 -2.735 1.00 0.00 C ATOM 1423 O VAL A 93 14.689 9.470 -2.644 1.00 0.00 O ATOM 1424 CB VAL A 93 12.600 7.680 -4.137 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.538 9.131 -4.587 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.390 6.838 -5.127 1.00 0.00 C ATOM 0 H VAL A 93 12.122 9.152 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 93 13.330 6.524 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 93 11.581 7.294 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.100 9.184 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.925 9.702 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.545 9.548 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.941 6.923 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.420 7.192 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.376 5.795 -4.810 1.00 0.00 H new ATOM 1436 N ILE A 94 15.634 7.437 -2.843 1.00 0.00 N ATOM 1437 CA ILE A 94 16.997 7.952 -2.862 1.00 0.00 C ATOM 1438 C ILE A 94 17.598 7.864 -4.261 1.00 0.00 C ATOM 1439 O ILE A 94 17.352 6.906 -4.994 1.00 0.00 O ATOM 1440 CB ILE A 94 17.902 7.187 -1.878 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.086 6.686 -0.685 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.045 8.075 -1.410 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.936 6.153 0.447 1.00 0.00 C ATOM 0 H ILE A 94 15.565 6.422 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 94 16.944 8.997 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 94 18.326 6.324 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.467 7.501 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.410 5.900 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 94 19.676 7.520 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.639 8.387 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 94 18.641 8.955 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.291 5.815 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.536 5.317 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 94 18.594 6.942 0.811 1.00 0.00 H new