USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 CYS SG : rot 180:sc= -0.94 USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= -0.247 (180deg=-1.83) USER MOD Single : A 17 GLN : amide:sc= -2.07 X(o=-2.1,f=-1.6) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.283) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00624 X(o=-0.0062,f=-0.46) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00923) USER MOD Single : A 68 GLN : amide:sc= 0.593 K(o=0.59,f=-0.13) USER MOD Single : A 71 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 72 CYS SG : rot 40:sc= -1.69 USER MOD Single : A 76 CYS SG : rot 107:sc= -3.13 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.524 0.900 4.445 1.00 0.00 N ATOM 69 CA ILE A 8 8.373 1.612 4.986 1.00 0.00 C ATOM 70 C ILE A 8 7.389 0.646 5.640 1.00 0.00 C ATOM 71 O ILE A 8 7.127 -0.437 5.116 1.00 0.00 O ATOM 72 CB ILE A 8 7.639 2.411 3.890 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.628 3.283 3.113 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.540 3.268 4.502 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.341 3.345 1.628 1.00 0.00 C ATOM 0 HA ILE A 8 8.753 2.305 5.736 1.00 0.00 H new ATOM 0 HB ILE A 8 7.180 1.706 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.608 4.293 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.636 2.898 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.032 3.825 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.822 2.628 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.978 3.966 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.081 3.980 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.390 2.341 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.345 3.758 1.467 1.00 0.00 H new ATOM 87 N ASP A 9 6.847 1.046 6.786 1.00 0.00 N ATOM 88 CA ASP A 9 5.893 0.216 7.510 1.00 0.00 C ATOM 89 C ASP A 9 4.665 1.025 7.916 1.00 0.00 C ATOM 90 O ASP A 9 4.556 2.209 7.596 1.00 0.00 O ATOM 91 CB ASP A 9 6.551 -0.391 8.751 1.00 0.00 C ATOM 92 CG ASP A 9 7.149 0.665 9.661 1.00 0.00 C ATOM 93 OD1 ASP A 9 6.387 1.513 10.169 1.00 0.00 O ATOM 94 OD2 ASP A 9 8.381 0.642 9.866 1.00 0.00 O ATOM 0 H ASP A 9 7.053 1.940 7.232 1.00 0.00 H new ATOM 0 HA ASP A 9 5.573 -0.588 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.812 -0.969 9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.332 -1.086 8.442 1.00 0.00 H new ATOM 99 N VAL A 10 3.743 0.378 8.622 1.00 0.00 N ATOM 100 CA VAL A 10 2.524 1.038 9.072 1.00 0.00 C ATOM 101 C VAL A 10 2.830 2.104 10.119 1.00 0.00 C ATOM 102 O VAL A 10 3.618 1.877 11.038 1.00 0.00 O ATOM 103 CB VAL A 10 1.521 0.026 9.660 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.209 0.712 10.012 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.285 -1.120 8.686 1.00 0.00 C ATOM 0 H VAL A 10 3.817 -0.602 8.894 1.00 0.00 H new ATOM 0 HA VAL A 10 2.079 1.511 8.197 1.00 0.00 H new ATOM 0 HB VAL A 10 1.946 -0.385 10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.485 -0.020 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.393 1.494 10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.223 1.154 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.574 -1.824 9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.884 -0.727 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.228 -1.630 8.489 1.00 0.00 H new ATOM 115 N GLY A 11 2.201 3.265 9.973 1.00 0.00 N ATOM 116 CA GLY A 11 2.418 4.349 10.912 1.00 0.00 C ATOM 117 C GLY A 11 3.696 5.114 10.628 1.00 0.00 C ATOM 118 O GLY A 11 4.473 5.396 11.539 1.00 0.00 O ATOM 0 H GLY A 11 1.545 3.475 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.571 5.034 10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.456 3.947 11.924 1.00 0.00 H new ATOM 122 N CYS A 12 3.912 5.451 9.361 1.00 0.00 N ATOM 123 CA CYS A 12 5.105 6.188 8.960 1.00 0.00 C ATOM 124 C CYS A 12 4.793 7.153 7.819 1.00 0.00 C ATOM 125 O CYS A 12 3.962 6.863 6.959 1.00 0.00 O ATOM 126 CB CYS A 12 6.211 5.216 8.538 1.00 0.00 C ATOM 127 SG CYS A 12 7.773 5.450 9.418 1.00 0.00 S ATOM 0 H CYS A 12 3.277 5.226 8.595 1.00 0.00 H new ATOM 0 HA CYS A 12 5.449 6.769 9.816 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.864 4.195 8.700 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.389 5.327 7.468 1.00 0.00 H new ATOM 0 HG CYS A 12 8.644 4.582 8.995 1.00 0.00 H new ATOM 133 N PRO A 13 5.461 8.321 7.793 1.00 0.00 N ATOM 134 CA PRO A 13 5.250 9.327 6.750 1.00 0.00 C ATOM 135 C PRO A 13 5.898 8.933 5.428 1.00 0.00 C ATOM 136 O PRO A 13 7.073 8.568 5.385 1.00 0.00 O ATOM 137 CB PRO A 13 5.924 10.572 7.327 1.00 0.00 C ATOM 138 CG PRO A 13 6.999 10.040 8.210 1.00 0.00 C ATOM 139 CD PRO A 13 6.472 8.750 8.780 1.00 0.00 C ATOM 0 HA PRO A 13 4.194 9.464 6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.334 11.203 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.216 11.183 7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.917 9.871 7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.237 10.748 9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.263 8.008 8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.032 8.898 9.766 1.00 0.00 H new ATOM 147 N VAL A 14 5.126 9.009 4.349 1.00 0.00 N ATOM 148 CA VAL A 14 5.628 8.660 3.025 1.00 0.00 C ATOM 149 C VAL A 14 4.793 9.315 1.930 1.00 0.00 C ATOM 150 O VAL A 14 3.565 9.363 2.015 1.00 0.00 O ATOM 151 CB VAL A 14 5.632 7.136 2.808 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.728 6.480 3.634 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.272 6.544 3.148 1.00 0.00 C ATOM 0 H VAL A 14 4.151 9.309 4.365 1.00 0.00 H new ATOM 0 HA VAL A 14 6.652 9.030 2.969 1.00 0.00 H new ATOM 0 HB VAL A 14 5.836 6.939 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.714 5.403 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.697 6.881 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.559 6.685 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.294 5.466 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.035 6.752 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.511 6.990 2.508 1.00 0.00 H new ATOM 163 N LYS A 15 5.467 9.819 0.903 1.00 0.00 N ATOM 164 CA LYS A 15 4.790 10.472 -0.212 1.00 0.00 C ATOM 165 C LYS A 15 4.209 9.445 -1.177 1.00 0.00 C ATOM 166 O LYS A 15 4.830 8.419 -1.457 1.00 0.00 O ATOM 167 CB LYS A 15 5.759 11.396 -0.953 1.00 0.00 C ATOM 168 CG LYS A 15 6.458 12.397 -0.047 1.00 0.00 C ATOM 169 CD LYS A 15 7.134 13.496 -0.852 1.00 0.00 C ATOM 170 CE LYS A 15 7.592 14.637 0.042 1.00 0.00 C ATOM 171 NZ LYS A 15 6.457 15.253 0.782 1.00 0.00 N ATOM 0 H LYS A 15 6.483 9.788 0.819 1.00 0.00 H new ATOM 0 HA LYS A 15 3.970 11.065 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.511 10.790 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.213 11.937 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.734 12.838 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.200 11.882 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.990 13.084 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.442 13.876 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.331 14.267 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.086 15.397 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.514 16.289 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.558 14.925 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.505 14.976 1.783 1.00 0.00 H new ATOM 185 N VAL A 16 3.013 9.728 -1.684 1.00 0.00 N ATOM 186 CA VAL A 16 2.346 8.832 -2.619 1.00 0.00 C ATOM 187 C VAL A 16 2.172 9.493 -3.982 1.00 0.00 C ATOM 188 O VAL A 16 1.786 10.658 -4.072 1.00 0.00 O ATOM 189 CB VAL A 16 0.963 8.397 -2.094 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.382 7.293 -2.963 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.060 7.948 -0.643 1.00 0.00 C ATOM 0 H VAL A 16 2.486 10.573 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 16 2.981 7.952 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 16 0.292 9.254 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.594 7.000 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.273 7.654 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.050 6.432 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.075 7.645 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.748 7.106 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.427 8.772 -0.031 1.00 0.00 H new ATOM 201 N GLN A 17 2.459 8.743 -5.040 1.00 0.00 N ATOM 202 CA GLN A 17 2.334 9.258 -6.399 1.00 0.00 C ATOM 203 C GLN A 17 1.003 8.844 -7.016 1.00 0.00 C ATOM 204 O GLN A 17 0.784 7.671 -7.318 1.00 0.00 O ATOM 205 CB GLN A 17 3.490 8.757 -7.265 1.00 0.00 C ATOM 206 CG GLN A 17 3.744 9.615 -8.494 1.00 0.00 C ATOM 207 CD GLN A 17 5.194 9.583 -8.938 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.766 8.514 -9.150 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.796 10.757 -9.080 1.00 0.00 N ATOM 0 H GLN A 17 2.780 7.776 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 17 2.370 10.346 -6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.397 8.723 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.280 7.736 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.110 9.270 -9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.456 10.644 -8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.283 11.619 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.771 10.798 -9.376 1.00 0.00 H new ATOM 218 N LEU A 18 0.114 9.816 -7.201 1.00 0.00 N ATOM 219 CA LEU A 18 -1.196 9.553 -7.784 1.00 0.00 C ATOM 220 C LEU A 18 -1.129 9.571 -9.307 1.00 0.00 C ATOM 221 O LEU A 18 -1.502 8.601 -9.967 1.00 0.00 O ATOM 222 CB LEU A 18 -2.211 10.587 -7.294 1.00 0.00 C ATOM 223 CG LEU A 18 -2.619 10.451 -5.827 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.456 11.644 -5.392 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.382 9.153 -5.605 1.00 0.00 C ATOM 0 H LEU A 18 0.278 10.792 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.515 8.561 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.795 11.583 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.106 10.516 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.715 10.427 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.737 11.529 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.876 12.559 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.356 11.700 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.665 9.072 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.279 9.148 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.749 8.308 -5.876 1.00 0.00 H new ATOM 237 N ARG A 19 -0.651 10.681 -9.859 1.00 0.00 N ATOM 238 CA ARG A 19 -0.535 10.827 -11.305 1.00 0.00 C ATOM 239 C ARG A 19 0.644 10.020 -11.842 1.00 0.00 C ATOM 240 O ARG A 19 1.440 9.480 -11.074 1.00 0.00 O ATOM 241 CB ARG A 19 -0.374 12.302 -11.678 1.00 0.00 C ATOM 242 CG ARG A 19 -1.327 12.762 -12.769 1.00 0.00 C ATOM 243 CD ARG A 19 -1.625 14.249 -12.659 1.00 0.00 C ATOM 244 NE ARG A 19 -2.200 14.785 -13.890 1.00 0.00 N ATOM 245 CZ ARG A 19 -2.474 16.074 -14.079 1.00 0.00 C ATOM 246 NH1 ARG A 19 -2.228 16.960 -13.123 1.00 0.00 N ATOM 247 NH2 ARG A 19 -2.997 16.478 -15.229 1.00 0.00 N ATOM 0 H ARG A 19 -0.338 11.493 -9.327 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.449 10.443 -11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.532 12.912 -10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.651 12.475 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.893 12.548 -13.746 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.257 12.198 -12.703 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.315 14.420 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.706 14.786 -12.424 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.403 14.134 -14.649 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.826 16.655 -12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.440 17.946 -13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.189 15.801 -15.968 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.207 17.465 -15.375 1.00 0.00 H new ATOM 261 N SER A 20 0.749 9.944 -13.165 1.00 0.00 N ATOM 262 CA SER A 20 1.831 9.204 -13.804 1.00 0.00 C ATOM 263 C SER A 20 3.127 10.007 -13.780 1.00 0.00 C ATOM 264 O SER A 20 3.498 10.635 -14.771 1.00 0.00 O ATOM 265 CB SER A 20 1.458 8.860 -15.247 1.00 0.00 C ATOM 266 OG SER A 20 0.137 8.354 -15.326 1.00 0.00 O ATOM 0 H SER A 20 0.098 10.386 -13.815 1.00 0.00 H new ATOM 0 HA SER A 20 1.986 8.281 -13.246 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.548 9.749 -15.871 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.157 8.122 -15.641 1.00 0.00 H new ATOM 0 HG SER A 20 -0.077 8.144 -16.259 1.00 0.00 H new ATOM 272 N GLY A 21 3.811 9.983 -12.641 1.00 0.00 N ATOM 273 CA GLY A 21 5.058 10.714 -12.509 1.00 0.00 C ATOM 274 C GLY A 21 4.873 12.210 -12.666 1.00 0.00 C ATOM 275 O GLY A 21 5.517 12.838 -13.505 1.00 0.00 O ATOM 0 H GLY A 21 3.524 9.471 -11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.496 10.506 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.765 10.358 -13.258 1.00 0.00 H new ATOM 279 N GLU A 22 3.988 12.781 -11.855 1.00 0.00 N ATOM 280 CA GLU A 22 3.718 14.215 -11.906 1.00 0.00 C ATOM 281 C GLU A 22 4.021 14.872 -10.564 1.00 0.00 C ATOM 282 O GLU A 22 4.839 15.788 -10.481 1.00 0.00 O ATOM 283 CB GLU A 22 2.259 14.465 -12.292 1.00 0.00 C ATOM 284 CG GLU A 22 1.950 15.924 -12.586 1.00 0.00 C ATOM 285 CD GLU A 22 2.584 16.406 -13.876 1.00 0.00 C ATOM 286 OE1 GLU A 22 3.765 16.809 -13.842 1.00 0.00 O ATOM 287 OE2 GLU A 22 1.899 16.381 -14.920 1.00 0.00 O ATOM 0 H GLU A 22 3.446 12.274 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 22 4.368 14.657 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.016 13.867 -13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.614 14.121 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.870 16.058 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.304 16.540 -11.759 1.00 0.00 H new ATOM 294 N GLU A 23 3.357 14.399 -9.515 1.00 0.00 N ATOM 295 CA GLU A 23 3.556 14.942 -8.176 1.00 0.00 C ATOM 296 C GLU A 23 3.224 13.899 -7.113 1.00 0.00 C ATOM 297 O GLU A 23 2.403 13.010 -7.335 1.00 0.00 O ATOM 298 CB GLU A 23 2.691 16.188 -7.974 1.00 0.00 C ATOM 299 CG GLU A 23 3.432 17.489 -8.235 1.00 0.00 C ATOM 300 CD GLU A 23 2.496 18.674 -8.376 1.00 0.00 C ATOM 301 OE1 GLU A 23 1.625 18.851 -7.498 1.00 0.00 O ATOM 302 OE2 GLU A 23 2.634 19.425 -9.365 1.00 0.00 O ATOM 0 H GLU A 23 2.676 13.641 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 23 4.606 15.218 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.827 16.132 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.310 16.195 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.129 17.676 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.025 17.389 -9.144 1.00 0.00 H new ATOM 309 N LYS A 24 3.870 14.014 -5.957 1.00 0.00 N ATOM 310 CA LYS A 24 3.645 13.081 -4.858 1.00 0.00 C ATOM 311 C LYS A 24 3.170 13.816 -3.609 1.00 0.00 C ATOM 312 O LYS A 24 3.708 14.864 -3.251 1.00 0.00 O ATOM 313 CB LYS A 24 4.927 12.305 -4.550 1.00 0.00 C ATOM 314 CG LYS A 24 5.338 11.345 -5.653 1.00 0.00 C ATOM 315 CD LYS A 24 6.382 10.353 -5.166 1.00 0.00 C ATOM 316 CE LYS A 24 7.399 10.036 -6.250 1.00 0.00 C ATOM 317 NZ LYS A 24 8.430 9.069 -5.779 1.00 0.00 N ATOM 0 H LYS A 24 4.554 14.744 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 24 2.868 12.380 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.737 13.013 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.789 11.745 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.462 10.806 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.735 11.908 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.893 10.761 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.891 9.434 -4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.886 9.625 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.885 10.957 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.730 8.468 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.251 9.589 -5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.030 8.474 -5.026 1.00 0.00 H new ATOM 331 N PHE A 25 2.159 13.260 -2.950 1.00 0.00 N ATOM 332 CA PHE A 25 1.613 13.861 -1.739 1.00 0.00 C ATOM 333 C PHE A 25 2.036 13.071 -0.502 1.00 0.00 C ATOM 334 O PHE A 25 2.003 11.841 -0.503 1.00 0.00 O ATOM 335 CB PHE A 25 0.086 13.923 -1.821 1.00 0.00 C ATOM 336 CG PHE A 25 -0.420 14.736 -2.979 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.022 16.053 -3.144 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.295 14.183 -3.901 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.487 16.804 -4.208 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.762 14.929 -4.967 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.357 16.241 -5.120 1.00 0.00 C ATOM 0 H PHE A 25 1.701 12.394 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 25 2.008 14.874 -1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.307 12.909 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.303 14.345 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.659 16.498 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.615 13.158 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.170 17.830 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.443 14.487 -5.679 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.721 16.825 -5.952 1.00 0.00 H new ATOM 351 N PRO A 26 2.442 13.768 0.576 1.00 0.00 N ATOM 352 CA PRO A 26 2.872 13.117 1.817 1.00 0.00 C ATOM 353 C PRO A 26 1.704 12.524 2.598 1.00 0.00 C ATOM 354 O PRO A 26 0.615 13.097 2.635 1.00 0.00 O ATOM 355 CB PRO A 26 3.520 14.256 2.605 1.00 0.00 C ATOM 356 CG PRO A 26 2.831 15.484 2.121 1.00 0.00 C ATOM 357 CD PRO A 26 2.514 15.239 0.670 1.00 0.00 C ATOM 0 HA PRO A 26 3.539 12.276 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.386 14.123 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.593 14.305 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.922 15.672 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.468 16.361 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.573 15.706 0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.286 15.646 0.016 1.00 0.00 H new ATOM 365 N GLY A 27 1.939 11.374 3.220 1.00 0.00 N ATOM 366 CA GLY A 27 0.897 10.721 3.993 1.00 0.00 C ATOM 367 C GLY A 27 1.451 9.709 4.976 1.00 0.00 C ATOM 368 O GLY A 27 2.553 9.195 4.793 1.00 0.00 O ATOM 0 H GLY A 27 2.832 10.882 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.325 11.474 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.204 10.222 3.315 1.00 0.00 H new ATOM 372 N VAL A 28 0.683 9.425 6.024 1.00 0.00 N ATOM 373 CA VAL A 28 1.103 8.468 7.040 1.00 0.00 C ATOM 374 C VAL A 28 0.531 7.082 6.757 1.00 0.00 C ATOM 375 O VAL A 28 -0.678 6.922 6.588 1.00 0.00 O ATOM 376 CB VAL A 28 0.671 8.919 8.450 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.846 9.002 8.549 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.231 7.977 9.508 1.00 0.00 C ATOM 0 H VAL A 28 -0.232 9.844 6.191 1.00 0.00 H new ATOM 0 HA VAL A 28 2.191 8.421 7.003 1.00 0.00 H new ATOM 0 HB VAL A 28 1.076 9.915 8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.128 9.322 9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.219 9.721 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.278 8.022 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.916 8.311 10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.859 6.968 9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.320 7.977 9.455 1.00 0.00 H new ATOM 388 N VAL A 29 1.406 6.084 6.707 1.00 0.00 N ATOM 389 CA VAL A 29 0.986 4.713 6.442 1.00 0.00 C ATOM 390 C VAL A 29 0.003 4.225 7.501 1.00 0.00 C ATOM 391 O VAL A 29 0.204 4.444 8.696 1.00 0.00 O ATOM 392 CB VAL A 29 2.190 3.754 6.396 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.761 2.382 5.897 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.296 4.325 5.521 1.00 0.00 C ATOM 0 H VAL A 29 2.410 6.198 6.846 1.00 0.00 H new ATOM 0 HA VAL A 29 0.497 4.716 5.468 1.00 0.00 H new ATOM 0 HB VAL A 29 2.580 3.642 7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.625 1.718 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.007 1.970 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.344 2.474 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.138 3.633 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.921 4.469 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.623 5.283 5.926 1.00 0.00 H new ATOM 404 N ARG A 30 -1.060 3.563 7.055 1.00 0.00 N ATOM 405 CA ARG A 30 -2.075 3.044 7.966 1.00 0.00 C ATOM 406 C ARG A 30 -2.187 1.527 7.853 1.00 0.00 C ATOM 407 O ARG A 30 -2.374 0.832 8.852 1.00 0.00 O ATOM 408 CB ARG A 30 -3.430 3.689 7.672 1.00 0.00 C ATOM 409 CG ARG A 30 -3.417 5.206 7.776 1.00 0.00 C ATOM 410 CD ARG A 30 -3.155 5.668 9.201 1.00 0.00 C ATOM 411 NE ARG A 30 -4.254 6.473 9.726 1.00 0.00 N ATOM 412 CZ ARG A 30 -4.151 7.263 10.794 1.00 0.00 C ATOM 413 NH1 ARG A 30 -3.002 7.357 11.450 1.00 0.00 N ATOM 414 NH2 ARG A 30 -5.201 7.961 11.204 1.00 0.00 N ATOM 0 H ARG A 30 -1.241 3.373 6.069 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.773 3.292 8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.749 3.405 6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.170 3.292 8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.650 5.610 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.373 5.603 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.004 4.799 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.234 6.250 9.230 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.153 6.428 9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.191 6.823 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.929 7.963 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.086 7.893 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.124 8.566 12.021 1.00 0.00 H new ATOM 428 N PHE A 31 -2.074 1.019 6.630 1.00 0.00 N ATOM 429 CA PHE A 31 -2.164 -0.416 6.387 1.00 0.00 C ATOM 430 C PHE A 31 -1.155 -0.853 5.329 1.00 0.00 C ATOM 431 O PHE A 31 -0.543 -0.019 4.661 1.00 0.00 O ATOM 432 CB PHE A 31 -3.579 -0.789 5.943 1.00 0.00 C ATOM 433 CG PHE A 31 -3.897 -2.248 6.105 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.216 -2.766 7.351 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.877 -3.101 5.013 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.509 -4.109 7.503 1.00 0.00 C ATOM 437 CE2 PHE A 31 -4.169 -4.443 5.160 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.485 -4.947 6.406 1.00 0.00 C ATOM 0 H PHE A 31 -1.920 1.580 5.792 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.933 -0.933 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.297 -0.204 6.518 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.707 -0.512 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.236 -2.114 8.212 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.630 -2.712 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.756 -4.502 8.478 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.150 -5.097 4.301 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.713 -5.996 6.522 1.00 0.00 H new ATOM 448 N ARG A 32 -0.985 -2.163 5.183 1.00 0.00 N ATOM 449 CA ARG A 32 -0.050 -2.707 4.206 1.00 0.00 C ATOM 450 C ARG A 32 -0.368 -4.168 3.903 1.00 0.00 C ATOM 451 O ARG A 32 -0.427 -5.001 4.807 1.00 0.00 O ATOM 452 CB ARG A 32 1.387 -2.579 4.717 1.00 0.00 C ATOM 453 CG ARG A 32 2.428 -3.129 3.754 1.00 0.00 C ATOM 454 CD ARG A 32 3.739 -3.432 4.462 1.00 0.00 C ATOM 455 NE ARG A 32 4.290 -4.725 4.064 1.00 0.00 N ATOM 456 CZ ARG A 32 5.562 -5.075 4.238 1.00 0.00 C ATOM 457 NH1 ARG A 32 6.418 -4.233 4.804 1.00 0.00 N ATOM 458 NH2 ARG A 32 5.980 -6.271 3.847 1.00 0.00 N ATOM 0 H ARG A 32 -1.482 -2.867 5.729 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.152 -2.134 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.603 -1.528 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.473 -3.102 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.048 -4.037 3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.603 -2.408 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.461 -2.646 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.579 -3.422 5.540 1.00 0.00 H new ATOM 0 HE ARG A 32 3.662 -5.400 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.102 -3.312 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.392 -4.507 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.327 -6.923 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.955 -6.539 3.980 1.00 0.00 H new ATOM 472 N GLY A 33 -0.573 -4.470 2.626 1.00 0.00 N ATOM 473 CA GLY A 33 -0.883 -5.830 2.225 1.00 0.00 C ATOM 474 C GLY A 33 -1.420 -5.909 0.807 1.00 0.00 C ATOM 475 O GLY A 33 -2.134 -5.010 0.363 1.00 0.00 O ATOM 0 H GLY A 33 -0.530 -3.797 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.015 -6.443 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.617 -6.250 2.912 1.00 0.00 H new ATOM 479 N PRO A 34 -1.092 -6.981 0.065 1.00 0.00 N ATOM 480 CA PRO A 34 -1.556 -7.157 -1.314 1.00 0.00 C ATOM 481 C PRO A 34 -3.034 -7.523 -1.386 1.00 0.00 C ATOM 482 O PRO A 34 -3.695 -7.685 -0.360 1.00 0.00 O ATOM 483 CB PRO A 34 -0.693 -8.310 -1.830 1.00 0.00 C ATOM 484 CG PRO A 34 -0.354 -9.099 -0.614 1.00 0.00 C ATOM 485 CD PRO A 34 -0.244 -8.104 0.511 1.00 0.00 C ATOM 0 HA PRO A 34 -1.463 -6.241 -1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.234 -8.915 -2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.205 -7.942 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.124 -9.842 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.583 -9.640 -0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.597 -8.523 1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.788 -7.789 0.669 1.00 0.00 H new ATOM 628 N ILE A 44 2.748 -5.167 -3.690 1.00 0.00 N ATOM 629 CA ILE A 44 2.084 -5.012 -2.402 1.00 0.00 C ATOM 630 C ILE A 44 1.498 -3.612 -2.252 1.00 0.00 C ATOM 631 O ILE A 44 2.141 -2.620 -2.596 1.00 0.00 O ATOM 632 CB ILE A 44 3.053 -5.279 -1.233 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.788 -6.606 -1.441 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.300 -5.283 0.090 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.278 -6.516 -1.198 1.00 0.00 C ATOM 0 HA ILE A 44 1.279 -5.746 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 44 3.792 -4.479 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.364 -7.356 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.614 -6.952 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.998 -5.473 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.822 -4.315 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.540 -6.064 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.733 -7.492 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.715 -5.791 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.461 -6.200 -0.171 1.00 0.00 H new ATOM 647 N PHE A 45 0.275 -3.539 -1.737 1.00 0.00 N ATOM 648 CA PHE A 45 -0.398 -2.259 -1.544 1.00 0.00 C ATOM 649 C PHE A 45 -0.100 -1.690 -0.160 1.00 0.00 C ATOM 650 O PHE A 45 -0.265 -2.372 0.852 1.00 0.00 O ATOM 651 CB PHE A 45 -1.908 -2.422 -1.726 1.00 0.00 C ATOM 652 CG PHE A 45 -2.312 -2.742 -3.137 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.366 -1.747 -4.099 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.636 -4.040 -3.500 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.736 -2.039 -5.398 1.00 0.00 C ATOM 656 CE2 PHE A 45 -3.007 -4.338 -4.797 1.00 0.00 C ATOM 657 CZ PHE A 45 -3.057 -3.337 -5.748 1.00 0.00 C ATOM 0 H PHE A 45 -0.270 -4.350 -1.446 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.021 -1.562 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.262 -3.215 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.405 -1.503 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.116 -0.731 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.598 -4.827 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.774 -1.254 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.258 -5.353 -5.067 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.346 -3.568 -6.763 1.00 0.00 H new ATOM 667 N PHE A 46 0.337 -0.435 -0.124 1.00 0.00 N ATOM 668 CA PHE A 46 0.657 0.227 1.136 1.00 0.00 C ATOM 669 C PHE A 46 -0.340 1.344 1.432 1.00 0.00 C ATOM 670 O PHE A 46 -0.347 2.376 0.761 1.00 0.00 O ATOM 671 CB PHE A 46 2.076 0.796 1.093 1.00 0.00 C ATOM 672 CG PHE A 46 3.143 -0.228 1.357 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.158 -1.427 0.663 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.132 0.009 2.298 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.137 -2.371 0.903 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.115 -0.931 2.543 1.00 0.00 C ATOM 677 CZ PHE A 46 5.118 -2.122 1.844 1.00 0.00 C ATOM 0 H PHE A 46 0.478 0.144 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 46 0.594 -0.515 1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.249 1.245 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.161 1.595 1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.395 -1.626 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.135 0.939 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.136 -3.302 0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.880 -0.734 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.886 -2.858 2.032 1.00 0.00 H new ATOM 687 N GLY A 47 -1.180 1.130 2.439 1.00 0.00 N ATOM 688 CA GLY A 47 -2.167 2.129 2.806 1.00 0.00 C ATOM 689 C GLY A 47 -1.539 3.352 3.446 1.00 0.00 C ATOM 690 O GLY A 47 -0.843 3.244 4.455 1.00 0.00 O ATOM 0 H GLY A 47 -1.195 0.283 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.722 2.431 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.886 1.689 3.497 1.00 0.00 H new ATOM 694 N VAL A 48 -1.784 4.517 2.855 1.00 0.00 N ATOM 695 CA VAL A 48 -1.236 5.766 3.372 1.00 0.00 C ATOM 696 C VAL A 48 -2.276 6.880 3.331 1.00 0.00 C ATOM 697 O VAL A 48 -2.924 7.100 2.308 1.00 0.00 O ATOM 698 CB VAL A 48 0.004 6.207 2.573 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.673 7.400 3.237 1.00 0.00 C ATOM 700 CG2 VAL A 48 0.981 5.051 2.426 1.00 0.00 C ATOM 0 H VAL A 48 -2.358 4.622 2.018 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.946 5.581 4.406 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.317 6.511 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.547 7.696 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.030 8.232 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.982 7.129 4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.852 5.380 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.297 4.714 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.495 4.229 1.901 1.00 0.00 H new ATOM 710 N GLU A 49 -2.429 7.583 4.450 1.00 0.00 N ATOM 711 CA GLU A 49 -3.390 8.675 4.539 1.00 0.00 C ATOM 712 C GLU A 49 -2.774 9.982 4.049 1.00 0.00 C ATOM 713 O GLU A 49 -1.766 10.444 4.584 1.00 0.00 O ATOM 714 CB GLU A 49 -3.877 8.837 5.980 1.00 0.00 C ATOM 715 CG GLU A 49 -4.942 9.910 6.144 1.00 0.00 C ATOM 716 CD GLU A 49 -4.965 10.498 7.541 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.112 11.361 7.837 1.00 0.00 O ATOM 718 OE2 GLU A 49 -5.837 10.096 8.341 1.00 0.00 O ATOM 0 H GLU A 49 -1.900 7.415 5.306 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.239 8.432 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.275 7.885 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.027 9.080 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.765 10.706 5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.919 9.485 5.916 1.00 0.00 H new ATOM 725 N LEU A 50 -3.386 10.572 3.027 1.00 0.00 N ATOM 726 CA LEU A 50 -2.898 11.824 2.463 1.00 0.00 C ATOM 727 C LEU A 50 -2.901 12.934 3.509 1.00 0.00 C ATOM 728 O LEU A 50 -3.817 13.028 4.327 1.00 0.00 O ATOM 729 CB LEU A 50 -3.757 12.236 1.266 1.00 0.00 C ATOM 730 CG LEU A 50 -3.783 11.232 0.112 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.956 11.513 -0.814 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.471 11.271 -0.657 1.00 0.00 C ATOM 0 H LEU A 50 -4.221 10.202 2.573 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.872 11.666 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.779 12.398 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.393 13.191 0.888 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.908 10.232 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.958 10.789 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.888 11.433 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.864 12.519 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.507 10.551 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.316 12.271 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.649 11.019 0.013 1.00 0.00 H new ATOM 744 N LEU A 51 -1.871 13.773 3.475 1.00 0.00 N ATOM 745 CA LEU A 51 -1.755 14.878 4.418 1.00 0.00 C ATOM 746 C LEU A 51 -2.454 16.123 3.883 1.00 0.00 C ATOM 747 O LEU A 51 -3.019 16.107 2.789 1.00 0.00 O ATOM 748 CB LEU A 51 -0.282 15.186 4.698 1.00 0.00 C ATOM 749 CG LEU A 51 0.343 14.376 5.834 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.810 14.740 6.005 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.420 14.602 7.130 1.00 0.00 C ATOM 0 H LEU A 51 -1.105 13.708 2.805 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.239 14.582 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.290 15.008 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.186 16.246 4.933 1.00 0.00 H new ATOM 0 HG LEU A 51 0.281 13.318 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.238 14.154 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.348 14.527 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.897 15.801 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.038 14.018 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.389 15.660 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.456 14.290 7.001 1.00 0.00 H new ATOM 763 N GLU A 52 -2.413 17.202 4.659 1.00 0.00 N ATOM 764 CA GLU A 52 -3.044 18.456 4.262 1.00 0.00 C ATOM 765 C GLU A 52 -2.539 18.920 2.898 1.00 0.00 C ATOM 766 O GLU A 52 -3.242 19.618 2.169 1.00 0.00 O ATOM 767 CB GLU A 52 -2.780 19.539 5.310 1.00 0.00 C ATOM 768 CG GLU A 52 -1.305 19.747 5.612 1.00 0.00 C ATOM 769 CD GLU A 52 -0.962 21.202 5.867 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.157 21.666 7.011 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.498 21.878 4.924 1.00 0.00 O ATOM 0 H GLU A 52 -1.949 17.233 5.567 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.117 18.281 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.208 20.480 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.297 19.274 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.029 19.154 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.711 19.379 4.776 1.00 0.00 H new ATOM 778 N GLU A 53 -1.315 18.525 2.558 1.00 0.00 N ATOM 779 CA GLU A 53 -0.717 18.901 1.282 1.00 0.00 C ATOM 780 C GLU A 53 -1.487 18.287 0.116 1.00 0.00 C ATOM 781 O GLU A 53 -1.716 18.940 -0.900 1.00 0.00 O ATOM 782 CB GLU A 53 0.746 18.459 1.230 1.00 0.00 C ATOM 783 CG GLU A 53 1.469 18.898 -0.034 1.00 0.00 C ATOM 784 CD GLU A 53 2.280 20.162 0.167 1.00 0.00 C ATOM 785 OE1 GLU A 53 2.840 20.340 1.269 1.00 0.00 O ATOM 786 OE2 GLU A 53 2.354 20.976 -0.778 1.00 0.00 O ATOM 0 H GLU A 53 -0.719 17.945 3.148 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.765 19.986 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.270 18.862 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.792 17.373 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.129 18.097 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.739 19.061 -0.827 1.00 0.00 H new ATOM 793 N GLY A 54 -1.882 17.027 0.273 1.00 0.00 N ATOM 794 CA GLY A 54 -2.620 16.348 -0.777 1.00 0.00 C ATOM 795 C GLY A 54 -3.850 15.634 -0.252 1.00 0.00 C ATOM 796 O GLY A 54 -4.177 14.535 -0.702 1.00 0.00 O ATOM 0 H GLY A 54 -1.705 16.466 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.920 17.073 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.967 15.627 -1.268 1.00 0.00 H new ATOM 800 N ARG A 55 -4.535 16.258 0.700 1.00 0.00 N ATOM 801 CA ARG A 55 -5.737 15.675 1.285 1.00 0.00 C ATOM 802 C ARG A 55 -6.913 15.769 0.317 1.00 0.00 C ATOM 803 O ARG A 55 -6.894 16.561 -0.623 1.00 0.00 O ATOM 804 CB ARG A 55 -6.082 16.379 2.599 1.00 0.00 C ATOM 805 CG ARG A 55 -6.399 15.422 3.736 1.00 0.00 C ATOM 806 CD ARG A 55 -6.581 16.162 5.051 1.00 0.00 C ATOM 807 NE ARG A 55 -7.632 15.567 5.874 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.444 14.521 6.677 1.00 0.00 C ATOM 809 NH1 ARG A 55 -6.251 13.945 6.764 1.00 0.00 N ATOM 810 NH2 ARG A 55 -8.456 14.047 7.393 1.00 0.00 N ATOM 0 H ARG A 55 -4.278 17.168 1.083 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.541 14.622 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.246 17.014 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.938 17.034 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.306 14.865 3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.594 14.694 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.641 16.156 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.826 17.205 4.849 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.565 15.977 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.470 14.303 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.115 13.144 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.376 14.484 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.314 13.246 8.009 1.00 0.00 H new ATOM 824 N GLY A 56 -7.936 14.955 0.557 1.00 0.00 N ATOM 825 CA GLY A 56 -9.107 14.962 -0.300 1.00 0.00 C ATOM 826 C GLY A 56 -8.830 14.366 -1.666 1.00 0.00 C ATOM 827 O GLY A 56 -9.452 14.750 -2.656 1.00 0.00 O ATOM 0 H GLY A 56 -7.975 14.291 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.909 14.402 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.460 15.986 -0.419 1.00 0.00 H new ATOM 831 N GLN A 57 -7.893 13.425 -1.720 1.00 0.00 N ATOM 832 CA GLN A 57 -7.534 12.774 -2.975 1.00 0.00 C ATOM 833 C GLN A 57 -7.397 11.266 -2.787 1.00 0.00 C ATOM 834 O GLN A 57 -6.565 10.624 -3.427 1.00 0.00 O ATOM 835 CB GLN A 57 -6.227 13.352 -3.520 1.00 0.00 C ATOM 836 CG GLN A 57 -6.275 14.856 -3.741 1.00 0.00 C ATOM 837 CD GLN A 57 -6.085 15.239 -5.196 1.00 0.00 C ATOM 838 OE1 GLN A 57 -6.900 14.895 -6.052 1.00 0.00 O ATOM 839 NE2 GLN A 57 -5.004 15.954 -5.484 1.00 0.00 N ATOM 0 H GLN A 57 -7.368 13.096 -0.909 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.333 12.962 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.419 13.120 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.987 12.861 -4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.233 15.240 -3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.501 15.333 -3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.354 16.217 -4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.823 16.240 -6.446 1.00 0.00 H new ATOM 848 N GLY A 58 -8.220 10.709 -1.904 1.00 0.00 N ATOM 849 CA GLY A 58 -8.173 9.281 -1.648 1.00 0.00 C ATOM 850 C GLY A 58 -9.312 8.534 -2.315 1.00 0.00 C ATOM 851 O GLY A 58 -10.411 9.068 -2.463 1.00 0.00 O ATOM 0 H GLY A 58 -8.917 11.220 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.223 8.882 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.209 9.106 -0.573 1.00 0.00 H new ATOM 855 N PHE A 59 -9.048 7.296 -2.719 1.00 0.00 N ATOM 856 CA PHE A 59 -10.060 6.474 -3.375 1.00 0.00 C ATOM 857 C PHE A 59 -10.506 5.335 -2.465 1.00 0.00 C ATOM 858 O PHE A 59 -11.702 5.093 -2.297 1.00 0.00 O ATOM 859 CB PHE A 59 -9.515 5.911 -4.688 1.00 0.00 C ATOM 860 CG PHE A 59 -8.267 5.092 -4.519 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.026 5.703 -4.445 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.336 3.711 -4.434 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.876 4.952 -4.289 1.00 0.00 C ATOM 864 CE2 PHE A 59 -7.189 2.954 -4.279 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.958 3.576 -4.206 1.00 0.00 C ATOM 0 H PHE A 59 -8.143 6.840 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.924 7.104 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.283 5.295 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.309 6.736 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.956 6.779 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.296 3.220 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.915 5.441 -4.232 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.256 1.878 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.061 2.987 -4.084 1.00 0.00 H new ATOM 875 N THR A 60 -9.538 4.636 -1.881 1.00 0.00 N ATOM 876 CA THR A 60 -9.834 3.522 -0.988 1.00 0.00 C ATOM 877 C THR A 60 -10.615 3.995 0.233 1.00 0.00 C ATOM 878 O THR A 60 -11.629 3.401 0.602 1.00 0.00 O ATOM 879 CB THR A 60 -8.538 2.836 -0.546 1.00 0.00 C ATOM 880 OG1 THR A 60 -8.811 1.800 0.381 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.548 3.781 0.099 1.00 0.00 C ATOM 0 H THR A 60 -8.543 4.821 -2.010 1.00 0.00 H new ATOM 0 HA THR A 60 -10.448 2.806 -1.534 1.00 0.00 H new ATOM 0 HB THR A 60 -8.094 2.442 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.971 1.373 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.653 3.229 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.278 4.564 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.998 4.231 0.984 1.00 0.00 H new ATOM 889 N ASP A 61 -10.140 5.069 0.856 1.00 0.00 N ATOM 890 CA ASP A 61 -10.798 5.623 2.035 1.00 0.00 C ATOM 891 C ASP A 61 -10.858 4.595 3.160 1.00 0.00 C ATOM 892 O ASP A 61 -11.802 4.579 3.950 1.00 0.00 O ATOM 893 CB ASP A 61 -12.210 6.093 1.682 1.00 0.00 C ATOM 894 CG ASP A 61 -12.214 7.143 0.589 1.00 0.00 C ATOM 895 OD1 ASP A 61 -11.457 6.983 -0.391 1.00 0.00 O ATOM 896 OD2 ASP A 61 -12.975 8.126 0.713 1.00 0.00 O ATOM 0 H ASP A 61 -9.302 5.573 0.565 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.213 6.476 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.805 5.238 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.688 6.499 2.573 1.00 0.00 H new ATOM 901 N GLY A 62 -9.846 3.737 3.228 1.00 0.00 N ATOM 902 CA GLY A 62 -9.804 2.719 4.261 1.00 0.00 C ATOM 903 C GLY A 62 -10.345 1.384 3.785 1.00 0.00 C ATOM 904 O GLY A 62 -9.989 0.336 4.323 1.00 0.00 O ATOM 0 H GLY A 62 -9.054 3.728 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.775 2.591 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.382 3.055 5.122 1.00 0.00 H new ATOM 908 N VAL A 63 -11.208 1.421 2.775 1.00 0.00 N ATOM 909 CA VAL A 63 -11.799 0.205 2.230 1.00 0.00 C ATOM 910 C VAL A 63 -11.472 0.051 0.748 1.00 0.00 C ATOM 911 O VAL A 63 -11.600 0.998 -0.029 1.00 0.00 O ATOM 912 CB VAL A 63 -13.330 0.193 2.415 1.00 0.00 C ATOM 913 CG1 VAL A 63 -13.972 1.354 1.670 1.00 0.00 C ATOM 914 CG2 VAL A 63 -13.916 -1.135 1.954 1.00 0.00 C ATOM 0 H VAL A 63 -11.513 2.280 2.318 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.369 -0.632 2.781 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.547 0.311 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.052 1.326 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.579 2.295 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.746 1.274 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.997 -1.123 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.687 -1.287 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.484 -1.946 2.540 1.00 0.00 H new ATOM 924 N TYR A 64 -11.050 -1.149 0.362 1.00 0.00 N ATOM 925 CA TYR A 64 -10.706 -1.428 -1.028 1.00 0.00 C ATOM 926 C TYR A 64 -11.632 -2.488 -1.614 1.00 0.00 C ATOM 927 O TYR A 64 -11.571 -3.658 -1.237 1.00 0.00 O ATOM 928 CB TYR A 64 -9.251 -1.891 -1.132 1.00 0.00 C ATOM 929 CG TYR A 64 -8.696 -1.831 -2.537 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.069 -2.766 -3.493 1.00 0.00 C ATOM 931 CD2 TYR A 64 -7.798 -0.837 -2.906 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.564 -2.713 -4.778 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.289 -0.777 -4.189 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.675 -1.717 -5.121 1.00 0.00 C ATOM 935 OH TYR A 64 -7.169 -1.661 -6.399 1.00 0.00 O ATOM 0 H TYR A 64 -10.938 -1.943 0.992 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.829 -0.508 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.634 -1.273 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.177 -2.914 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.765 -3.548 -3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.493 -0.100 -2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.864 -3.448 -5.510 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.592 0.002 -4.461 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.558 -0.899 -6.476 1.00 0.00 H new ATOM 945 N GLN A 65 -12.492 -2.070 -2.538 1.00 0.00 N ATOM 946 CA GLN A 65 -13.432 -2.983 -3.175 1.00 0.00 C ATOM 947 C GLN A 65 -14.362 -3.613 -2.143 1.00 0.00 C ATOM 948 O GLN A 65 -14.810 -4.748 -2.307 1.00 0.00 O ATOM 949 CB GLN A 65 -12.678 -4.076 -3.934 1.00 0.00 C ATOM 950 CG GLN A 65 -12.172 -3.633 -5.297 1.00 0.00 C ATOM 951 CD GLN A 65 -12.177 -4.755 -6.315 1.00 0.00 C ATOM 952 OE1 GLN A 65 -12.079 -5.931 -5.961 1.00 0.00 O ATOM 953 NE2 GLN A 65 -12.289 -4.399 -7.590 1.00 0.00 N ATOM 0 H GLN A 65 -12.556 -1.105 -2.861 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.035 -2.411 -3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.832 -4.407 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.334 -4.937 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.792 -2.814 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.159 -3.245 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.368 -3.413 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.296 -5.112 -8.320 1.00 0.00 H new ATOM 962 N GLY A 66 -14.649 -2.868 -1.080 1.00 0.00 N ATOM 963 CA GLY A 66 -15.524 -3.370 -0.037 1.00 0.00 C ATOM 964 C GLY A 66 -14.757 -3.931 1.146 1.00 0.00 C ATOM 965 O GLY A 66 -15.260 -3.946 2.269 1.00 0.00 O ATOM 0 H GLY A 66 -14.291 -1.926 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.175 -2.565 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.167 -4.147 -0.450 1.00 0.00 H new ATOM 969 N LYS A 67 -13.538 -4.395 0.892 1.00 0.00 N ATOM 970 CA LYS A 67 -12.702 -4.961 1.944 1.00 0.00 C ATOM 971 C LYS A 67 -12.127 -3.862 2.833 1.00 0.00 C ATOM 972 O LYS A 67 -11.275 -3.085 2.403 1.00 0.00 O ATOM 973 CB LYS A 67 -11.566 -5.785 1.334 1.00 0.00 C ATOM 974 CG LYS A 67 -10.779 -6.587 2.358 1.00 0.00 C ATOM 975 CD LYS A 67 -11.087 -8.073 2.262 1.00 0.00 C ATOM 976 CE LYS A 67 -10.446 -8.850 3.400 1.00 0.00 C ATOM 977 NZ LYS A 67 -8.959 -8.835 3.314 1.00 0.00 N ATOM 0 H LYS A 67 -13.107 -4.390 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.325 -5.612 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.981 -6.467 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.885 -5.116 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.712 -6.425 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.015 -6.230 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.166 -8.224 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.727 -8.459 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.759 -8.423 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.800 -9.881 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.561 -9.404 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.660 -9.235 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.617 -7.856 3.392 1.00 0.00 H new ATOM 991 N GLN A 68 -12.598 -3.805 4.074 1.00 0.00 N ATOM 992 CA GLN A 68 -12.129 -2.802 5.024 1.00 0.00 C ATOM 993 C GLN A 68 -10.789 -3.210 5.626 1.00 0.00 C ATOM 994 O GLN A 68 -10.736 -3.961 6.599 1.00 0.00 O ATOM 995 CB GLN A 68 -13.160 -2.600 6.136 1.00 0.00 C ATOM 996 CG GLN A 68 -12.909 -1.358 6.977 1.00 0.00 C ATOM 997 CD GLN A 68 -13.595 -0.128 6.419 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.799 -0.138 6.159 1.00 0.00 O ATOM 999 NE2 GLN A 68 -12.831 0.942 6.230 1.00 0.00 N ATOM 0 H GLN A 68 -13.304 -4.441 4.446 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.996 -1.863 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.153 -2.534 5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.159 -3.475 6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.260 -1.535 7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.836 -1.175 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.838 0.906 6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.238 1.799 5.856 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.706 -2.709 5.039 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.365 -3.022 5.516 1.00 0.00 C ATOM 1010 C LEU A 69 -7.990 -2.145 6.707 1.00 0.00 C ATOM 1011 O LEU A 69 -7.317 -2.595 7.634 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.345 -2.837 4.391 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.442 -3.858 3.255 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.401 -3.565 2.186 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.274 -5.270 3.793 1.00 0.00 C ATOM 0 H LEU A 69 -9.732 -2.085 4.233 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.356 -4.063 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.466 -1.838 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.343 -2.885 4.818 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.430 -3.779 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.484 -4.301 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.567 -2.567 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.404 -3.617 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.346 -5.983 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.299 -5.364 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.057 -5.477 4.523 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.429 -0.891 6.673 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.138 0.048 7.749 1.00 0.00 C ATOM 1029 C PHE A 70 -9.172 1.168 7.790 1.00 0.00 C ATOM 1030 O PHE A 70 -9.952 1.341 6.852 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.736 0.636 7.575 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.580 1.456 6.325 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.723 0.874 5.076 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.290 2.809 6.402 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.580 1.626 3.926 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.146 3.566 5.254 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.291 2.974 4.015 1.00 0.00 C ATOM 0 H PHE A 70 -8.987 -0.502 5.913 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.182 -0.495 8.693 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.502 1.258 8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.009 -0.176 7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.949 -0.179 5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.175 3.277 7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.694 1.160 2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.920 4.620 5.326 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.179 3.564 3.117 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.172 1.928 8.880 1.00 0.00 N ATOM 1048 CA GLN A 71 -10.110 3.032 9.042 1.00 0.00 C ATOM 1049 C GLN A 71 -9.428 4.369 8.775 1.00 0.00 C ATOM 1050 O GLN A 71 -8.511 4.764 9.494 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.704 3.023 10.451 1.00 0.00 C ATOM 1052 CG GLN A 71 -12.092 3.638 10.531 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.068 5.067 11.036 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.239 5.320 12.229 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -11.856 6.012 10.127 1.00 0.00 N ATOM 0 H GLN A 71 -8.533 1.799 9.664 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.913 2.902 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.750 1.995 10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.037 3.565 11.121 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.554 3.613 9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.716 3.034 11.190 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.719 5.757 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.830 6.992 10.407 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.880 5.061 7.734 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.313 6.354 7.371 1.00 0.00 C ATOM 1066 C CYS A 72 -10.414 7.382 7.125 1.00 0.00 C ATOM 1067 O CYS A 72 -11.601 7.057 7.175 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.437 6.217 6.123 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.802 6.973 6.284 1.00 0.00 S ATOM 0 H CYS A 72 -10.637 4.747 7.127 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.698 6.700 8.202 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.315 5.159 5.892 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.954 6.671 5.277 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.333 6.744 7.475 1.00 0.00 H new ATOM 1075 N ASP A 73 -10.013 8.620 6.860 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.966 9.695 6.608 1.00 0.00 C ATOM 1077 C ASP A 73 -11.497 9.627 5.179 1.00 0.00 C ATOM 1078 O ASP A 73 -11.117 8.748 4.406 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.311 11.054 6.859 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.004 11.286 8.325 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -10.909 11.078 9.160 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -8.860 11.674 8.637 1.00 0.00 O ATOM 0 H ASP A 73 -9.035 8.904 6.814 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.805 9.573 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.388 11.122 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.970 11.844 6.499 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.376 10.563 4.835 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.960 10.610 3.500 1.00 0.00 C ATOM 1089 C GLU A 74 -11.976 11.203 2.496 1.00 0.00 C ATOM 1090 O GLU A 74 -11.522 12.336 2.651 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.250 11.432 3.514 1.00 0.00 C ATOM 1092 CG GLU A 74 -15.054 11.324 2.228 1.00 0.00 C ATOM 1093 CD GLU A 74 -15.705 12.636 1.837 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.627 13.078 2.555 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -15.294 13.222 0.813 1.00 0.00 O ATOM 0 H GLU A 74 -12.699 11.299 5.463 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.191 9.589 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.870 11.106 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.002 12.479 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.400 10.992 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.824 10.562 2.348 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.652 10.428 1.465 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.724 10.875 0.433 1.00 0.00 C ATOM 1104 C ASP A 75 -9.359 11.207 1.031 1.00 0.00 C ATOM 1105 O ASP A 75 -8.785 12.260 0.752 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.288 12.098 -0.295 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.190 11.717 -1.452 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -13.339 11.298 -1.196 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -11.748 11.838 -2.614 1.00 0.00 O ATOM 0 H ASP A 75 -12.019 9.487 1.323 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.597 10.062 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.847 12.712 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.465 12.708 -0.666 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.846 10.300 1.856 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.548 10.495 2.492 1.00 0.00 C ATOM 1116 C CYS A 76 -6.661 9.268 2.306 1.00 0.00 C ATOM 1117 O CYS A 76 -5.567 9.359 1.749 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.727 10.790 3.982 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.200 12.496 4.345 1.00 0.00 S ATOM 0 H CYS A 76 -9.308 9.424 2.100 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.062 11.347 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.486 10.120 4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.795 10.564 4.501 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.449 12.533 4.703 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.142 8.121 2.776 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.380 6.892 2.650 1.00 0.00 C ATOM 1127 C GLY A 77 -6.148 6.501 1.203 1.00 0.00 C ATOM 1128 O GLY A 77 -6.968 6.796 0.334 1.00 0.00 O ATOM 0 H GLY A 77 -8.044 8.021 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.419 7.011 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.908 6.087 3.161 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.027 5.835 0.944 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.690 5.403 -0.407 1.00 0.00 C ATOM 1134 C VAL A 78 -3.699 4.244 -0.383 1.00 0.00 C ATOM 1135 O VAL A 78 -2.844 4.163 0.497 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.089 6.557 -1.231 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.154 7.592 -1.559 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.927 7.196 -0.487 1.00 0.00 C ATOM 0 H VAL A 78 -4.337 5.583 1.652 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.618 5.075 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.711 6.150 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.710 8.399 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.951 7.124 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.566 7.996 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.515 8.009 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.278 7.589 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.154 6.449 -0.309 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.822 3.347 -1.358 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.937 2.192 -1.449 1.00 0.00 C ATOM 1150 C PHE A 79 -1.978 2.334 -2.627 1.00 0.00 C ATOM 1151 O PHE A 79 -2.391 2.652 -3.742 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.753 0.907 -1.594 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.126 0.279 -0.280 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.146 -0.154 0.599 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.456 0.122 0.075 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.486 -0.732 1.808 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.802 -0.456 1.282 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.816 -0.883 2.150 1.00 0.00 C ATOM 0 H PHE A 79 -4.525 3.399 -2.095 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.352 2.141 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.662 1.125 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.182 0.188 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.105 -0.039 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.231 0.455 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.713 -1.065 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.843 -0.574 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.084 -1.334 3.094 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.695 2.095 -2.372 1.00 0.00 N ATOM 1169 CA VAL A 80 0.323 2.196 -3.409 1.00 0.00 C ATOM 1170 C VAL A 80 1.487 1.253 -3.128 1.00 0.00 C ATOM 1171 O VAL A 80 1.679 0.808 -1.996 1.00 0.00 O ATOM 1172 CB VAL A 80 0.861 3.634 -3.531 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.188 4.546 -4.149 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.299 4.158 -2.172 1.00 0.00 C ATOM 0 H VAL A 80 -0.337 1.830 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.153 1.914 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 80 1.731 3.622 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.210 5.558 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.448 4.181 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.079 4.554 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.676 5.175 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.449 4.156 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.086 3.519 -1.772 1.00 0.00 H new ATOM 1184 N ALA A 81 2.263 0.951 -4.164 1.00 0.00 N ATOM 1185 CA ALA A 81 3.407 0.062 -4.026 1.00 0.00 C ATOM 1186 C ALA A 81 4.574 0.772 -3.347 1.00 0.00 C ATOM 1187 O ALA A 81 4.698 1.994 -3.424 1.00 0.00 O ATOM 1188 CB ALA A 81 3.830 -0.470 -5.387 1.00 0.00 C ATOM 0 H ALA A 81 2.119 1.310 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 81 3.110 -0.777 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.687 -1.133 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.003 -1.021 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.103 0.363 -6.034 1.00 0.00 H new ATOM 1194 N LEU A 82 5.429 -0.003 -2.683 1.00 0.00 N ATOM 1195 CA LEU A 82 6.587 0.553 -1.991 1.00 0.00 C ATOM 1196 C LEU A 82 7.369 1.489 -2.905 1.00 0.00 C ATOM 1197 O LEU A 82 7.774 2.579 -2.499 1.00 0.00 O ATOM 1198 CB LEU A 82 7.498 -0.572 -1.493 1.00 0.00 C ATOM 1199 CG LEU A 82 8.771 -0.110 -0.784 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.487 0.195 0.678 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.862 -1.162 -0.910 1.00 0.00 C ATOM 0 H LEU A 82 5.341 -1.017 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 82 6.228 1.126 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.929 -1.204 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.779 -1.194 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 82 9.120 0.805 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.405 0.522 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.738 0.984 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.114 -0.703 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.761 -0.817 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.523 -2.094 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.085 -1.331 -1.964 1.00 0.00 H new ATOM 1213 N ASP A 83 7.575 1.058 -4.147 1.00 0.00 N ATOM 1214 CA ASP A 83 8.302 1.859 -5.123 1.00 0.00 C ATOM 1215 C ASP A 83 7.623 3.210 -5.321 1.00 0.00 C ATOM 1216 O ASP A 83 8.281 4.211 -5.604 1.00 0.00 O ATOM 1217 CB ASP A 83 8.392 1.118 -6.458 1.00 0.00 C ATOM 1218 CG ASP A 83 9.531 1.621 -7.323 1.00 0.00 C ATOM 1219 OD1 ASP A 83 9.744 2.851 -7.369 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.211 0.784 -7.954 1.00 0.00 O ATOM 0 H ASP A 83 7.248 0.158 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 83 9.310 2.028 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.525 0.052 -6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.452 1.232 -6.998 1.00 0.00 H new ATOM 1225 N LYS A 84 6.304 3.229 -5.165 1.00 0.00 N ATOM 1226 CA LYS A 84 5.535 4.458 -5.319 1.00 0.00 C ATOM 1227 C LYS A 84 5.661 5.336 -4.078 1.00 0.00 C ATOM 1228 O LYS A 84 5.505 6.555 -4.150 1.00 0.00 O ATOM 1229 CB LYS A 84 4.064 4.134 -5.584 1.00 0.00 C ATOM 1230 CG LYS A 84 3.851 3.181 -6.750 1.00 0.00 C ATOM 1231 CD LYS A 84 2.739 3.660 -7.670 1.00 0.00 C ATOM 1232 CE LYS A 84 1.437 2.923 -7.399 1.00 0.00 C ATOM 1233 NZ LYS A 84 0.429 3.163 -8.468 1.00 0.00 N ATOM 0 H LYS A 84 5.745 2.408 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 84 5.937 5.006 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.629 3.698 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.526 5.061 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.777 3.086 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.607 2.189 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.588 4.731 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.034 3.510 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.635 1.854 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.032 3.244 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.444 2.643 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.221 4.180 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.805 2.834 -9.380 1.00 0.00 H new ATOM 1247 N LEU A 85 5.945 4.709 -2.939 1.00 0.00 N ATOM 1248 CA LEU A 85 6.091 5.437 -1.684 1.00 0.00 C ATOM 1249 C LEU A 85 7.485 6.047 -1.569 1.00 0.00 C ATOM 1250 O LEU A 85 8.491 5.370 -1.784 1.00 0.00 O ATOM 1251 CB LEU A 85 5.831 4.507 -0.497 1.00 0.00 C ATOM 1252 CG LEU A 85 4.362 4.143 -0.271 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.210 3.285 0.975 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.512 5.399 -0.161 1.00 0.00 C ATOM 0 H LEU A 85 6.078 3.701 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 85 5.358 6.243 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.399 3.588 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.216 4.979 0.407 1.00 0.00 H new ATOM 0 HG LEU A 85 4.015 3.567 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.159 3.036 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.787 2.368 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.575 3.835 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.470 5.121 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.860 6.002 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.595 5.977 -1.082 1.00 0.00 H new ATOM 1266 N GLU A 86 7.538 7.331 -1.230 1.00 0.00 N ATOM 1267 CA GLU A 86 8.808 8.033 -1.087 1.00 0.00 C ATOM 1268 C GLU A 86 9.087 8.364 0.376 1.00 0.00 C ATOM 1269 O GLU A 86 8.482 9.273 0.944 1.00 0.00 O ATOM 1270 CB GLU A 86 8.804 9.316 -1.920 1.00 0.00 C ATOM 1271 CG GLU A 86 10.185 9.743 -2.388 1.00 0.00 C ATOM 1272 CD GLU A 86 10.619 11.069 -1.797 1.00 0.00 C ATOM 1273 OE1 GLU A 86 10.539 11.222 -0.560 1.00 0.00 O ATOM 1274 OE2 GLU A 86 11.040 11.956 -2.571 1.00 0.00 O ATOM 0 H GLU A 86 6.716 7.907 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 86 9.599 7.376 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.163 9.172 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.365 10.121 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.909 8.975 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.189 9.816 -3.476 1.00 0.00 H new ATOM 1281 N LEU A 87 10.007 7.619 0.980 1.00 0.00 N ATOM 1282 CA LEU A 87 10.366 7.831 2.378 1.00 0.00 C ATOM 1283 C LEU A 87 10.952 9.224 2.584 1.00 0.00 C ATOM 1284 O LEU A 87 11.728 9.709 1.761 1.00 0.00 O ATOM 1285 CB LEU A 87 11.370 6.770 2.833 1.00 0.00 C ATOM 1286 CG LEU A 87 11.623 6.721 4.341 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.345 6.367 5.085 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.724 5.722 4.662 1.00 0.00 C ATOM 0 H LEU A 87 10.518 6.863 0.524 1.00 0.00 H new ATOM 0 HA LEU A 87 9.460 7.746 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.014 5.792 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.319 6.949 2.327 1.00 0.00 H new ATOM 0 HG LEU A 87 11.948 7.708 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.544 6.337 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.584 7.119 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.990 5.391 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.892 5.699 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.427 4.731 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.643 6.019 4.158 1.00 0.00 H new ATOM 1300 N ILE A 88 10.576 9.862 3.687 1.00 0.00 N ATOM 1301 CA ILE A 88 11.064 11.198 4.002 1.00 0.00 C ATOM 1302 C ILE A 88 12.159 11.146 5.062 1.00 0.00 C ATOM 1303 O ILE A 88 11.982 10.547 6.122 1.00 0.00 O ATOM 1304 CB ILE A 88 9.926 12.111 4.499 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.738 12.055 3.538 1.00 0.00 C ATOM 1306 CG2 ILE A 88 10.422 13.541 4.653 1.00 0.00 C ATOM 1307 CD1 ILE A 88 7.422 12.430 4.181 1.00 0.00 C ATOM 0 H ILE A 88 9.934 9.474 4.378 1.00 0.00 H new ATOM 0 HA ILE A 88 11.473 11.611 3.080 1.00 0.00 H new ATOM 0 HB ILE A 88 9.596 11.754 5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.927 12.725 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.659 11.048 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.607 14.173 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.239 13.567 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.777 13.909 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.625 12.368 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.210 11.745 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.482 13.448 4.565 1.00 0.00 H new