USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 95:sc= 0.0509 USER MOD Set 1.2: A 57 CYS SG : rot 180:sc= -0.511! USER MOD Set 1.3: A 63 LYS NZ :NH3+ -167:sc= 0.0199 (180deg=-0.15) USER MOD Set 2.1: A 8 ASN :FLIP amide:sc= -2.17 F(o=-12!,f=-4.9) USER MOD Set 2.2: A 19 GLN : amide:sc= -2.69 K(o=-4.9,f=-17!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.446 USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.116 (180deg=-0.668) USER MOD Single : A 25 TYR OH : rot 100:sc= -2.38! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 124:sc= -1.33! USER MOD Single : A 32 SER OG : rot -31:sc= 0.446 USER MOD Single : A 37 GLN : amide:sc= -9.18! C(o=-9.2!,f=-8.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= 0.97 (180deg=0.193) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= -0.812 (180deg=-0.984) USER MOD Single : A 59 SER OG : rot 160:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0225 F(o=-1.5!,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -12.837 7.120 6.660 1.00 0.00 N ATOM 63 CA ARG A 6 -12.603 5.650 6.523 1.00 0.00 C ATOM 64 C ARG A 6 -12.976 5.231 5.100 1.00 0.00 C ATOM 65 O ARG A 6 -13.340 6.053 4.283 1.00 0.00 O ATOM 66 CB ARG A 6 -13.452 4.894 7.548 1.00 0.00 C ATOM 67 CG ARG A 6 -14.938 5.104 7.274 1.00 0.00 C ATOM 68 CD ARG A 6 -15.742 4.630 8.495 1.00 0.00 C ATOM 69 NE ARG A 6 -17.201 4.747 8.219 1.00 0.00 N ATOM 70 CZ ARG A 6 -18.060 4.110 8.970 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.640 3.355 9.953 1.00 0.00 N ATOM 72 NH2 ARG A 6 -19.337 4.228 8.733 1.00 0.00 N ATOM 0 HA ARG A 6 -11.555 5.413 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.216 3.830 7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.210 5.238 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.139 6.157 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.239 4.549 6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.489 3.596 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.479 5.227 9.368 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.529 5.324 7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.640 3.263 10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.312 2.859 10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.661 4.815 7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.012 3.733 9.316 1.00 0.00 H new ATOM 86 N ASP A 7 -12.874 3.970 4.781 1.00 0.00 N ATOM 87 CA ASP A 7 -13.208 3.530 3.394 1.00 0.00 C ATOM 88 C ASP A 7 -14.718 3.632 3.154 1.00 0.00 C ATOM 89 O ASP A 7 -15.480 3.951 4.043 1.00 0.00 O ATOM 90 CB ASP A 7 -12.755 2.085 3.198 1.00 0.00 C ATOM 91 CG ASP A 7 -13.477 1.189 4.204 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.095 1.728 5.108 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.402 -0.017 4.052 1.00 0.00 O ATOM 0 H ASP A 7 -12.576 3.229 5.415 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.694 4.176 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.972 1.758 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.676 2.008 3.334 1.00 0.00 H new ATOM 98 N ASN A 8 -15.147 3.370 1.951 1.00 0.00 N ATOM 99 CA ASN A 8 -16.599 3.456 1.632 1.00 0.00 C ATOM 100 C ASN A 8 -17.365 2.364 2.386 1.00 0.00 C ATOM 101 O ASN A 8 -18.577 2.380 2.453 1.00 0.00 O ATOM 102 CB ASN A 8 -16.795 3.275 0.125 1.00 0.00 C ATOM 103 CG ASN A 8 -16.217 4.487 -0.611 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.377 4.299 -1.593 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -16.529 5.615 -0.287 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.550 3.098 1.170 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.980 4.431 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.302 2.363 -0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.855 3.167 -0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.185 5.762 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.135 6.415 -0.782 1.00 0.00 H new ATOM 112 N ARG A 9 -16.674 1.410 2.956 1.00 0.00 N ATOM 113 CA ARG A 9 -17.371 0.319 3.698 1.00 0.00 C ATOM 114 C ARG A 9 -17.411 0.665 5.190 1.00 0.00 C ATOM 115 O ARG A 9 -18.425 1.091 5.709 1.00 0.00 O ATOM 116 CB ARG A 9 -16.601 -0.988 3.499 1.00 0.00 C ATOM 117 CG ARG A 9 -16.590 -1.379 2.007 1.00 0.00 C ATOM 118 CD ARG A 9 -17.879 -2.147 1.637 1.00 0.00 C ATOM 119 NE ARG A 9 -17.675 -3.630 1.792 1.00 0.00 N ATOM 120 CZ ARG A 9 -16.730 -4.271 1.151 1.00 0.00 C ATOM 121 NH1 ARG A 9 -15.999 -3.658 0.258 1.00 0.00 N ATOM 122 NH2 ARG A 9 -16.547 -5.542 1.377 1.00 0.00 N ATOM 0 H ARG A 9 -15.657 1.340 2.939 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.389 0.208 3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.579 -0.875 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.061 -1.782 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.504 -0.484 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.718 -1.997 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.700 -1.819 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.162 -1.919 0.610 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.291 -4.152 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.162 -2.672 0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.265 -4.166 -0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.138 -6.031 2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.813 -6.048 0.881 1.00 0.00 H new ATOM 136 N GLY A 10 -16.321 0.491 5.887 1.00 0.00 N ATOM 137 CA GLY A 10 -16.318 0.823 7.347 1.00 0.00 C ATOM 138 C GLY A 10 -14.931 0.595 7.966 1.00 0.00 C ATOM 139 O GLY A 10 -14.747 0.751 9.155 1.00 0.00 O ATOM 0 H GLY A 10 -15.439 0.137 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.615 1.862 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.055 0.209 7.864 1.00 0.00 H new ATOM 143 N ARG A 11 -13.952 0.234 7.181 1.00 0.00 N ATOM 144 CA ARG A 11 -12.587 0.007 7.738 1.00 0.00 C ATOM 145 C ARG A 11 -11.822 1.336 7.733 1.00 0.00 C ATOM 146 O ARG A 11 -11.709 1.992 6.713 1.00 0.00 O ATOM 147 CB ARG A 11 -11.858 -1.023 6.868 1.00 0.00 C ATOM 148 CG ARG A 11 -12.685 -2.315 6.823 1.00 0.00 C ATOM 149 CD ARG A 11 -11.992 -3.378 5.954 1.00 0.00 C ATOM 150 NE ARG A 11 -12.452 -3.226 4.542 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.893 -3.925 3.596 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.967 -4.791 3.898 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.270 -3.776 2.355 1.00 0.00 N ATOM 0 H ARG A 11 -14.039 0.086 6.176 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.651 -0.368 8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.716 -0.632 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.867 -1.225 7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.823 -2.699 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.677 -2.103 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.909 -3.264 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.228 -4.377 6.321 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.204 -2.575 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.685 -4.918 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.525 -5.342 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.006 -3.109 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.829 -4.326 1.618 1.00 0.00 H new ATOM 167 N ILE A 12 -11.307 1.750 8.863 1.00 0.00 N ATOM 168 CA ILE A 12 -10.567 3.044 8.918 1.00 0.00 C ATOM 169 C ILE A 12 -9.159 2.863 8.339 1.00 0.00 C ATOM 170 O ILE A 12 -8.310 2.223 8.927 1.00 0.00 O ATOM 171 CB ILE A 12 -10.468 3.516 10.376 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.872 3.561 10.994 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.853 4.922 10.426 1.00 0.00 C ATOM 174 CD1 ILE A 12 -11.800 4.116 12.419 1.00 0.00 C ATOM 0 H ILE A 12 -11.368 1.247 9.748 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.102 3.790 8.330 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.839 2.823 10.935 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.526 4.184 10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.305 2.561 11.006 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.785 5.253 11.462 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.856 4.899 9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.481 5.614 9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.801 4.144 12.849 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.161 3.475 13.027 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.386 5.124 12.396 1.00 0.00 H new ATOM 186 N LEU A 13 -8.904 3.451 7.197 1.00 0.00 N ATOM 187 CA LEU A 13 -7.545 3.348 6.575 1.00 0.00 C ATOM 188 C LEU A 13 -6.698 4.525 7.089 1.00 0.00 C ATOM 189 O LEU A 13 -7.228 5.527 7.532 1.00 0.00 O ATOM 190 CB LEU A 13 -7.662 3.384 5.033 1.00 0.00 C ATOM 191 CG LEU A 13 -8.965 4.067 4.585 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.962 5.539 5.016 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.061 3.987 3.059 1.00 0.00 C ATOM 0 H LEU A 13 -9.580 4.000 6.666 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.070 2.406 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.808 3.916 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.628 2.368 4.640 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.817 3.565 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.889 6.014 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.881 5.600 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.115 6.050 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.981 4.468 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.205 4.494 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.065 2.942 2.749 1.00 0.00 H new ATOM 205 N LYS A 14 -5.394 4.408 7.071 1.00 0.00 N ATOM 206 CA LYS A 14 -4.536 5.522 7.596 1.00 0.00 C ATOM 207 C LYS A 14 -4.215 6.531 6.486 1.00 0.00 C ATOM 208 O LYS A 14 -4.687 6.435 5.375 1.00 0.00 O ATOM 209 CB LYS A 14 -3.214 4.962 8.159 1.00 0.00 C ATOM 210 CG LYS A 14 -3.454 3.710 9.029 1.00 0.00 C ATOM 211 CD LYS A 14 -4.037 4.085 10.408 1.00 0.00 C ATOM 212 CE LYS A 14 -2.925 4.532 11.368 1.00 0.00 C ATOM 213 NZ LYS A 14 -3.483 4.636 12.748 1.00 0.00 N ATOM 0 H LYS A 14 -4.886 3.597 6.719 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.090 6.023 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.544 4.712 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.717 5.729 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.137 3.034 8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.515 3.173 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.768 4.886 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.565 3.229 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.102 3.818 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.520 5.494 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.734 4.939 13.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.255 5.333 12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.849 3.709 13.045 1.00 0.00 H new ATOM 227 N THR A 15 -3.420 7.511 6.814 1.00 0.00 N ATOM 228 CA THR A 15 -3.039 8.578 5.838 1.00 0.00 C ATOM 229 C THR A 15 -2.439 7.996 4.554 1.00 0.00 C ATOM 230 O THR A 15 -1.973 6.874 4.516 1.00 0.00 O ATOM 231 CB THR A 15 -2.000 9.483 6.494 1.00 0.00 C ATOM 232 OG1 THR A 15 -0.831 8.726 6.767 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.557 10.044 7.801 1.00 0.00 C ATOM 0 H THR A 15 -3.007 7.622 7.740 1.00 0.00 H new ATOM 0 HA THR A 15 -3.940 9.129 5.569 1.00 0.00 H new ATOM 0 HB THR A 15 -1.759 10.307 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.159 9.302 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.812 10.690 8.266 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.459 10.620 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.798 9.223 8.476 1.00 0.00 H new ATOM 241 N GLY A 16 -2.417 8.784 3.508 1.00 0.00 N ATOM 242 CA GLY A 16 -1.815 8.325 2.223 1.00 0.00 C ATOM 243 C GLY A 16 -2.734 7.327 1.523 1.00 0.00 C ATOM 244 O GLY A 16 -2.611 7.091 0.338 1.00 0.00 O ATOM 0 H GLY A 16 -2.793 9.732 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.637 9.181 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.846 7.863 2.414 1.00 0.00 H new ATOM 248 N GLU A 17 -3.647 6.730 2.236 1.00 0.00 N ATOM 249 CA GLU A 17 -4.554 5.735 1.602 1.00 0.00 C ATOM 250 C GLU A 17 -5.769 6.436 0.996 1.00 0.00 C ATOM 251 O GLU A 17 -6.211 7.463 1.472 1.00 0.00 O ATOM 252 CB GLU A 17 -5.029 4.751 2.662 1.00 0.00 C ATOM 253 CG GLU A 17 -3.860 3.881 3.119 1.00 0.00 C ATOM 254 CD GLU A 17 -4.385 2.750 4.004 1.00 0.00 C ATOM 255 OE1 GLU A 17 -4.826 1.752 3.458 1.00 0.00 O ATOM 256 OE2 GLU A 17 -4.343 2.904 5.214 1.00 0.00 O ATOM 0 H GLU A 17 -3.804 6.888 3.231 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.013 5.212 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.447 5.291 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.825 4.125 2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.339 3.469 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.137 4.483 3.670 1.00 0.00 H new ATOM 263 N SER A 18 -6.313 5.879 -0.051 1.00 0.00 N ATOM 264 CA SER A 18 -7.506 6.494 -0.699 1.00 0.00 C ATOM 265 C SER A 18 -8.259 5.415 -1.492 1.00 0.00 C ATOM 266 O SER A 18 -7.664 4.640 -2.218 1.00 0.00 O ATOM 267 CB SER A 18 -7.046 7.614 -1.641 1.00 0.00 C ATOM 268 OG SER A 18 -6.240 7.060 -2.670 1.00 0.00 O ATOM 0 H SER A 18 -5.980 5.019 -0.488 1.00 0.00 H new ATOM 0 HA SER A 18 -8.170 6.913 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.910 8.120 -2.072 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.482 8.364 -1.085 1.00 0.00 H new ATOM 0 HG SER A 18 -5.946 7.773 -3.275 1.00 0.00 H new ATOM 274 N GLN A 19 -9.565 5.357 -1.360 1.00 0.00 N ATOM 275 CA GLN A 19 -10.367 4.329 -2.105 1.00 0.00 C ATOM 276 C GLN A 19 -10.969 4.992 -3.341 1.00 0.00 C ATOM 277 O GLN A 19 -11.631 6.006 -3.251 1.00 0.00 O ATOM 278 CB GLN A 19 -11.496 3.805 -1.206 1.00 0.00 C ATOM 279 CG GLN A 19 -12.201 2.622 -1.878 1.00 0.00 C ATOM 280 CD GLN A 19 -13.496 2.310 -1.120 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.805 2.954 -0.137 1.00 0.00 O ATOM 282 NE2 GLN A 19 -14.272 1.350 -1.537 1.00 0.00 N ATOM 0 H GLN A 19 -10.113 5.980 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.728 3.495 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.090 3.496 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.214 4.602 -1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.423 2.859 -2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.548 1.749 -1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.015 0.808 -2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.137 1.140 -1.039 1.00 0.00 H new ATOM 291 N ARG A 20 -10.738 4.435 -4.494 1.00 0.00 N ATOM 292 CA ARG A 20 -11.288 5.045 -5.737 1.00 0.00 C ATOM 293 C ARG A 20 -12.717 4.552 -5.968 1.00 0.00 C ATOM 294 O ARG A 20 -13.293 3.870 -5.144 1.00 0.00 O ATOM 295 CB ARG A 20 -10.403 4.662 -6.922 1.00 0.00 C ATOM 296 CG ARG A 20 -8.958 5.097 -6.631 1.00 0.00 C ATOM 297 CD ARG A 20 -8.056 4.859 -7.869 1.00 0.00 C ATOM 298 NE ARG A 20 -7.193 6.060 -8.141 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.700 7.255 -8.308 1.00 0.00 C ATOM 300 NH1 ARG A 20 -8.992 7.434 -8.273 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.910 8.269 -8.534 1.00 0.00 N ATOM 0 H ARG A 20 -10.193 3.584 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.303 6.130 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.445 3.586 -7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.764 5.142 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.938 6.152 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.569 4.539 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.427 3.984 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.676 4.646 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.182 5.940 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.613 6.640 -8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.381 8.368 -8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.901 8.129 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.302 9.202 -8.665 1.00 0.00 H new ATOM 315 N LYS A 21 -13.295 4.906 -7.083 1.00 0.00 N ATOM 316 CA LYS A 21 -14.692 4.475 -7.370 1.00 0.00 C ATOM 317 C LYS A 21 -14.720 2.984 -7.697 1.00 0.00 C ATOM 318 O LYS A 21 -15.743 2.337 -7.573 1.00 0.00 O ATOM 319 CB LYS A 21 -15.248 5.260 -8.565 1.00 0.00 C ATOM 320 CG LYS A 21 -15.006 6.781 -8.378 1.00 0.00 C ATOM 321 CD LYS A 21 -13.820 7.239 -9.238 1.00 0.00 C ATOM 322 CE LYS A 21 -13.524 8.713 -8.958 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.761 9.516 -9.163 1.00 0.00 N ATOM 0 H LYS A 21 -12.859 5.476 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.305 4.668 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.771 4.920 -9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.315 5.066 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.902 7.336 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.809 6.999 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.942 6.633 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.047 7.097 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.164 8.835 -7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.734 9.068 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.509 10.519 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.252 9.185 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.387 9.406 -8.339 1.00 0.00 H new ATOM 337 N ASP A 22 -13.620 2.427 -8.128 1.00 0.00 N ATOM 338 CA ASP A 22 -13.619 0.972 -8.470 1.00 0.00 C ATOM 339 C ASP A 22 -13.404 0.142 -7.198 1.00 0.00 C ATOM 340 O ASP A 22 -13.592 -1.059 -7.197 1.00 0.00 O ATOM 341 CB ASP A 22 -12.502 0.681 -9.479 1.00 0.00 C ATOM 342 CG ASP A 22 -12.929 1.147 -10.872 1.00 0.00 C ATOM 343 OD1 ASP A 22 -12.981 2.347 -11.083 1.00 0.00 O ATOM 344 OD2 ASP A 22 -13.201 0.296 -11.703 1.00 0.00 O ATOM 0 H ASP A 22 -12.730 2.909 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.579 0.704 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.587 1.191 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.282 -0.386 -9.494 1.00 0.00 H new ATOM 349 N GLY A 23 -13.044 0.773 -6.108 1.00 0.00 N ATOM 350 CA GLY A 23 -12.852 0.021 -4.824 1.00 0.00 C ATOM 351 C GLY A 23 -11.374 -0.274 -4.582 1.00 0.00 C ATOM 352 O GLY A 23 -10.956 -0.506 -3.464 1.00 0.00 O ATOM 0 H GLY A 23 -12.874 1.777 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.252 0.603 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.413 -0.913 -4.857 1.00 0.00 H new ATOM 356 N ARG A 24 -10.572 -0.271 -5.607 1.00 0.00 N ATOM 357 CA ARG A 24 -9.127 -0.556 -5.400 1.00 0.00 C ATOM 358 C ARG A 24 -8.531 0.504 -4.478 1.00 0.00 C ATOM 359 O ARG A 24 -8.817 1.677 -4.597 1.00 0.00 O ATOM 360 CB ARG A 24 -8.391 -0.553 -6.742 1.00 0.00 C ATOM 361 CG ARG A 24 -8.865 0.628 -7.584 1.00 0.00 C ATOM 362 CD ARG A 24 -7.996 0.755 -8.840 1.00 0.00 C ATOM 363 NE ARG A 24 -8.424 -0.267 -9.836 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.957 -0.230 -11.051 1.00 0.00 C ATOM 365 NH1 ARG A 24 -7.058 0.655 -11.379 1.00 0.00 N ATOM 366 NH2 ARG A 24 -8.375 -1.088 -11.935 1.00 0.00 N ATOM 0 H ARG A 24 -10.850 -0.085 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.016 -1.540 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.315 -0.487 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.576 -1.488 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.909 0.489 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.812 1.547 -7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.091 1.755 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.945 0.615 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.084 -0.997 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.719 1.320 -10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.693 0.683 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.069 -1.790 -11.676 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.009 -1.059 -12.887 1.00 0.00 H new ATOM 380 N TYR A 25 -7.704 0.094 -3.559 1.00 0.00 N ATOM 381 CA TYR A 25 -7.084 1.067 -2.629 1.00 0.00 C ATOM 382 C TYR A 25 -5.905 1.743 -3.321 1.00 0.00 C ATOM 383 O TYR A 25 -5.448 1.309 -4.363 1.00 0.00 O ATOM 384 CB TYR A 25 -6.609 0.333 -1.378 1.00 0.00 C ATOM 385 CG TYR A 25 -7.808 -0.265 -0.679 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.775 0.578 -0.119 1.00 0.00 C ATOM 387 CD2 TYR A 25 -7.965 -1.655 -0.603 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.895 0.038 0.516 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.090 -2.199 0.033 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.054 -1.351 0.593 1.00 0.00 C ATOM 391 OH TYR A 25 -11.163 -1.886 1.218 1.00 0.00 O ATOM 0 H TYR A 25 -7.432 -0.878 -3.414 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.812 1.826 -2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.899 -0.450 -1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.088 1.021 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.654 1.650 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.220 -2.307 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.639 0.692 0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.213 -3.270 0.091 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.822 -2.152 0.543 1.00 0.00 H new ATOM 401 N LEU A 26 -5.409 2.809 -2.755 1.00 0.00 N ATOM 402 CA LEU A 26 -4.262 3.519 -3.386 1.00 0.00 C ATOM 403 C LEU A 26 -3.416 4.191 -2.304 1.00 0.00 C ATOM 404 O LEU A 26 -3.874 5.057 -1.586 1.00 0.00 O ATOM 405 CB LEU A 26 -4.807 4.570 -4.370 1.00 0.00 C ATOM 406 CG LEU A 26 -3.679 5.493 -4.855 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.534 4.657 -5.446 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.227 6.448 -5.926 1.00 0.00 C ATOM 0 H LEU A 26 -5.748 3.218 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.635 2.810 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.269 4.073 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.585 5.161 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.299 6.069 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.739 5.319 -5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.143 3.984 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.907 4.073 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.428 7.104 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.611 5.870 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.031 7.049 -5.501 1.00 0.00 H new ATOM 420 N TYR A 27 -2.172 3.800 -2.209 1.00 0.00 N ATOM 421 CA TYR A 27 -1.240 4.394 -1.206 1.00 0.00 C ATOM 422 C TYR A 27 -0.005 4.907 -1.951 1.00 0.00 C ATOM 423 O TYR A 27 0.232 4.543 -3.088 1.00 0.00 O ATOM 424 CB TYR A 27 -0.830 3.323 -0.194 1.00 0.00 C ATOM 425 CG TYR A 27 0.083 3.933 0.843 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.454 4.684 1.899 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.467 3.745 0.756 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.390 5.242 2.866 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.313 4.306 1.720 1.00 0.00 C ATOM 430 CZ TYR A 27 1.774 5.053 2.775 1.00 0.00 C ATOM 431 OH TYR A 27 2.608 5.601 3.729 1.00 0.00 O ATOM 0 H TYR A 27 -1.755 3.079 -2.797 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.723 5.213 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.714 2.904 0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.324 2.502 -0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.522 4.832 1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.883 3.167 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.025 5.817 3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.381 4.163 1.650 1.00 0.00 H new ATOM 0 HH TYR A 27 3.538 5.375 3.519 1.00 0.00 H new ATOM 441 N LYS A 28 0.770 5.768 -1.337 1.00 0.00 N ATOM 442 CA LYS A 28 1.980 6.330 -2.025 1.00 0.00 C ATOM 443 C LYS A 28 3.214 6.238 -1.116 1.00 0.00 C ATOM 444 O LYS A 28 3.154 6.524 0.064 1.00 0.00 O ATOM 445 CB LYS A 28 1.703 7.802 -2.353 1.00 0.00 C ATOM 446 CG LYS A 28 2.933 8.466 -3.039 1.00 0.00 C ATOM 447 CD LYS A 28 3.362 9.711 -2.251 1.00 0.00 C ATOM 448 CE LYS A 28 4.526 10.397 -2.964 1.00 0.00 C ATOM 449 NZ LYS A 28 5.091 11.452 -2.076 1.00 0.00 N ATOM 0 H LYS A 28 0.618 6.108 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 28 2.179 5.760 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.835 7.874 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.458 8.342 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.758 7.756 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.684 8.742 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.523 10.401 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.657 9.429 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.295 9.667 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.185 10.838 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.884 11.922 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.354 12.153 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.429 11.018 -1.193 1.00 0.00 H new ATOM 463 N TYR A 29 4.343 5.865 -1.674 1.00 0.00 N ATOM 464 CA TYR A 29 5.602 5.778 -0.866 1.00 0.00 C ATOM 465 C TYR A 29 6.778 6.245 -1.736 1.00 0.00 C ATOM 466 O TYR A 29 6.657 6.352 -2.941 1.00 0.00 O ATOM 467 CB TYR A 29 5.821 4.334 -0.377 1.00 0.00 C ATOM 468 CG TYR A 29 6.464 3.486 -1.455 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.738 3.149 -2.601 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.786 3.039 -1.305 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.324 2.364 -3.595 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.375 2.256 -2.299 1.00 0.00 C ATOM 473 CZ TYR A 29 7.646 1.917 -3.448 1.00 0.00 C ATOM 474 OH TYR A 29 8.230 1.139 -4.432 1.00 0.00 O ATOM 0 H TYR A 29 4.446 5.616 -2.658 1.00 0.00 H new ATOM 0 HA TYR A 29 5.526 6.419 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.453 4.339 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.866 3.896 -0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.722 3.497 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.347 3.301 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.760 2.101 -4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.392 1.911 -2.183 1.00 0.00 H new ATOM 0 HH TYR A 29 9.055 1.568 -4.741 1.00 0.00 H new ATOM 484 N ILE A 30 7.904 6.538 -1.136 1.00 0.00 N ATOM 485 CA ILE A 30 9.092 7.019 -1.921 1.00 0.00 C ATOM 486 C ILE A 30 10.137 5.902 -2.025 1.00 0.00 C ATOM 487 O ILE A 30 10.395 5.187 -1.077 1.00 0.00 O ATOM 488 CB ILE A 30 9.690 8.231 -1.201 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.578 9.270 -0.992 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.812 8.842 -2.046 1.00 0.00 C ATOM 491 CD1 ILE A 30 9.162 10.603 -0.508 1.00 0.00 C ATOM 0 H ILE A 30 8.056 6.466 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 30 8.785 7.299 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 30 10.104 7.923 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.037 9.423 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.858 8.897 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.231 9.703 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.593 8.099 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.411 9.159 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.356 11.323 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.682 10.450 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.863 10.984 -1.250 1.00 0.00 H new ATOM 503 N ASP A 31 10.742 5.745 -3.179 1.00 0.00 N ATOM 504 CA ASP A 31 11.768 4.673 -3.350 1.00 0.00 C ATOM 505 C ASP A 31 13.150 5.186 -2.936 1.00 0.00 C ATOM 506 O ASP A 31 13.306 6.312 -2.504 1.00 0.00 O ATOM 507 CB ASP A 31 11.815 4.229 -4.812 1.00 0.00 C ATOM 508 CG ASP A 31 10.468 3.633 -5.218 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.608 3.516 -4.359 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.320 3.301 -6.382 1.00 0.00 O ATOM 0 H ASP A 31 10.568 6.314 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 31 11.495 3.829 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.054 5.079 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.606 3.492 -4.952 1.00 0.00 H new ATOM 515 N SER A 32 14.152 4.357 -3.067 1.00 0.00 N ATOM 516 CA SER A 32 15.538 4.764 -2.688 1.00 0.00 C ATOM 517 C SER A 32 16.046 5.858 -3.628 1.00 0.00 C ATOM 518 O SER A 32 17.152 6.337 -3.480 1.00 0.00 O ATOM 519 CB SER A 32 16.470 3.555 -2.787 1.00 0.00 C ATOM 520 OG SER A 32 16.702 3.252 -4.157 1.00 0.00 O ATOM 0 H SER A 32 14.069 3.405 -3.424 1.00 0.00 H new ATOM 0 HA SER A 32 15.523 5.144 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.414 3.767 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.026 2.697 -2.283 1.00 0.00 H new ATOM 0 HG SER A 32 15.913 3.497 -4.684 1.00 0.00 H new ATOM 526 N PHE A 33 15.262 6.251 -4.599 1.00 0.00 N ATOM 527 CA PHE A 33 15.725 7.307 -5.551 1.00 0.00 C ATOM 528 C PHE A 33 15.140 8.648 -5.117 1.00 0.00 C ATOM 529 O PHE A 33 15.530 9.692 -5.596 1.00 0.00 O ATOM 530 CB PHE A 33 15.244 6.950 -6.957 1.00 0.00 C ATOM 531 CG PHE A 33 15.745 5.565 -7.303 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.078 4.442 -6.801 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.876 5.404 -8.115 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.538 3.156 -7.111 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.337 4.118 -8.426 1.00 0.00 C ATOM 536 CZ PHE A 33 16.669 2.993 -7.923 1.00 0.00 C ATOM 0 H PHE A 33 14.325 5.888 -4.774 1.00 0.00 H new ATOM 0 HA PHE A 33 16.813 7.373 -5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.155 6.981 -7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.614 7.677 -7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.208 4.567 -6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.392 6.271 -8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.021 2.290 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.207 3.993 -9.053 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.025 2.002 -8.161 1.00 0.00 H new ATOM 546 N GLY A 34 14.218 8.627 -4.193 1.00 0.00 N ATOM 547 CA GLY A 34 13.620 9.901 -3.701 1.00 0.00 C ATOM 548 C GLY A 34 12.441 10.282 -4.587 1.00 0.00 C ATOM 549 O GLY A 34 11.699 11.199 -4.288 1.00 0.00 O ATOM 0 H GLY A 34 13.852 7.781 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.291 9.786 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.368 10.694 -3.711 1.00 0.00 H new ATOM 553 N GLU A 35 12.257 9.586 -5.671 1.00 0.00 N ATOM 554 CA GLU A 35 11.121 9.909 -6.568 1.00 0.00 C ATOM 555 C GLU A 35 9.861 9.257 -5.989 1.00 0.00 C ATOM 556 O GLU A 35 9.934 8.195 -5.407 1.00 0.00 O ATOM 557 CB GLU A 35 11.417 9.355 -7.963 1.00 0.00 C ATOM 558 CG GLU A 35 11.476 7.816 -7.927 1.00 0.00 C ATOM 559 CD GLU A 35 12.377 7.302 -9.059 1.00 0.00 C ATOM 560 OE1 GLU A 35 13.512 7.741 -9.131 1.00 0.00 O ATOM 561 OE2 GLU A 35 11.912 6.483 -9.834 1.00 0.00 O ATOM 0 H GLU A 35 12.844 8.809 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 35 10.974 10.986 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.646 9.680 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.364 9.753 -8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.860 7.480 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.473 7.402 -8.032 1.00 0.00 H new ATOM 568 N PRO A 36 8.716 9.882 -6.121 1.00 0.00 N ATOM 569 CA PRO A 36 7.443 9.326 -5.568 1.00 0.00 C ATOM 570 C PRO A 36 6.914 8.127 -6.381 1.00 0.00 C ATOM 571 O PRO A 36 7.091 8.051 -7.579 1.00 0.00 O ATOM 572 CB PRO A 36 6.476 10.514 -5.646 1.00 0.00 C ATOM 573 CG PRO A 36 6.971 11.334 -6.794 1.00 0.00 C ATOM 574 CD PRO A 36 8.493 11.177 -6.799 1.00 0.00 C ATOM 0 HA PRO A 36 7.573 8.933 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.452 10.180 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.479 11.088 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.540 10.989 -7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.687 12.380 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.891 11.171 -7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.981 11.995 -6.270 1.00 0.00 H new ATOM 582 N GLN A 37 6.256 7.198 -5.724 1.00 0.00 N ATOM 583 CA GLN A 37 5.691 6.000 -6.428 1.00 0.00 C ATOM 584 C GLN A 37 4.268 5.756 -5.913 1.00 0.00 C ATOM 585 O GLN A 37 3.833 6.370 -4.959 1.00 0.00 O ATOM 586 CB GLN A 37 6.572 4.767 -6.136 1.00 0.00 C ATOM 587 CG GLN A 37 7.517 4.503 -7.313 1.00 0.00 C ATOM 588 CD GLN A 37 8.403 5.723 -7.527 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.582 6.179 -8.641 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.970 6.279 -6.494 1.00 0.00 N ATOM 0 H GLN A 37 6.085 7.220 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 37 5.670 6.173 -7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.149 4.930 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.943 3.894 -5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.130 3.624 -7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.943 4.293 -8.216 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.819 5.895 -5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.565 7.098 -6.618 1.00 0.00 H new ATOM 599 N PHE A 38 3.539 4.866 -6.541 1.00 0.00 N ATOM 600 CA PHE A 38 2.142 4.582 -6.093 1.00 0.00 C ATOM 601 C PHE A 38 1.858 3.081 -6.154 1.00 0.00 C ATOM 602 O PHE A 38 2.336 2.381 -7.023 1.00 0.00 O ATOM 603 CB PHE A 38 1.170 5.304 -7.014 1.00 0.00 C ATOM 604 CG PHE A 38 1.264 6.792 -6.795 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.232 7.534 -7.478 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.385 7.430 -5.915 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.323 8.916 -7.282 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.475 8.812 -5.718 1.00 0.00 C ATOM 609 CZ PHE A 38 1.445 9.557 -6.402 1.00 0.00 C ATOM 0 H PHE A 38 3.853 4.324 -7.346 1.00 0.00 H new ATOM 0 HA PHE A 38 2.022 4.927 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.395 5.066 -8.053 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.153 4.963 -6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.910 7.040 -8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.363 6.856 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.071 9.488 -7.810 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.204 9.305 -5.038 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.514 10.624 -6.250 1.00 0.00 H new ATOM 619 N VAL A 39 1.060 2.590 -5.236 1.00 0.00 N ATOM 620 CA VAL A 39 0.700 1.140 -5.216 1.00 0.00 C ATOM 621 C VAL A 39 -0.830 1.008 -5.234 1.00 0.00 C ATOM 622 O VAL A 39 -1.544 1.829 -4.693 1.00 0.00 O ATOM 623 CB VAL A 39 1.278 0.487 -3.945 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.688 -0.040 -4.234 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.337 1.518 -2.799 1.00 0.00 C ATOM 0 H VAL A 39 0.638 3.142 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 39 1.115 0.637 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 39 0.634 -0.340 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.095 -0.501 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.643 -0.780 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.330 0.786 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.747 1.046 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.973 2.353 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.333 1.885 -2.587 1.00 0.00 H new ATOM 635 N TYR A 40 -1.329 -0.024 -5.868 1.00 0.00 N ATOM 636 CA TYR A 40 -2.807 -0.244 -5.956 1.00 0.00 C ATOM 637 C TYR A 40 -3.140 -1.671 -5.519 1.00 0.00 C ATOM 638 O TYR A 40 -2.339 -2.575 -5.662 1.00 0.00 O ATOM 639 CB TYR A 40 -3.254 -0.049 -7.405 1.00 0.00 C ATOM 640 CG TYR A 40 -3.160 1.409 -7.778 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.921 1.976 -8.101 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.316 2.191 -7.814 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.846 3.326 -8.461 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.241 3.537 -8.171 1.00 0.00 C ATOM 645 CZ TYR A 40 -3.009 4.108 -8.498 1.00 0.00 C ATOM 646 OH TYR A 40 -2.938 5.439 -8.850 1.00 0.00 O ATOM 0 H TYR A 40 -0.766 -0.735 -6.336 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.321 0.465 -5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.630 -0.645 -8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.278 -0.400 -7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.026 1.373 -8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.271 1.752 -7.565 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.892 3.766 -8.710 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.137 4.139 -8.195 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.835 5.832 -8.826 1.00 0.00 H new ATOM 656 N SER A 41 -4.314 -1.887 -4.983 1.00 0.00 N ATOM 657 CA SER A 41 -4.680 -3.264 -4.539 1.00 0.00 C ATOM 658 C SER A 41 -6.157 -3.317 -4.141 1.00 0.00 C ATOM 659 O SER A 41 -6.702 -2.372 -3.612 1.00 0.00 O ATOM 660 CB SER A 41 -3.822 -3.638 -3.332 1.00 0.00 C ATOM 661 OG SER A 41 -4.138 -4.957 -2.913 1.00 0.00 O ATOM 0 H SER A 41 -5.029 -1.175 -4.835 1.00 0.00 H new ATOM 0 HA SER A 41 -4.508 -3.963 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.765 -3.571 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.997 -2.935 -2.517 1.00 0.00 H new ATOM 0 HG SER A 41 -3.514 -5.590 -3.326 1.00 0.00 H new ATOM 667 N TRP A 42 -6.808 -4.427 -4.377 1.00 0.00 N ATOM 668 CA TRP A 42 -8.242 -4.553 -3.997 1.00 0.00 C ATOM 669 C TRP A 42 -8.320 -5.073 -2.557 1.00 0.00 C ATOM 670 O TRP A 42 -9.370 -5.462 -2.083 1.00 0.00 O ATOM 671 CB TRP A 42 -8.929 -5.563 -4.926 1.00 0.00 C ATOM 672 CG TRP A 42 -8.993 -5.035 -6.320 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.965 -5.042 -7.193 1.00 0.00 C ATOM 674 CD2 TRP A 42 -10.129 -4.454 -7.030 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.390 -4.492 -8.385 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.713 -4.116 -8.337 1.00 0.00 C ATOM 677 CE3 TRP A 42 -11.464 -4.182 -6.671 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.581 -3.538 -9.258 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.345 -3.596 -7.597 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.902 -3.276 -8.889 1.00 0.00 C ATOM 0 H TRP A 42 -6.404 -5.253 -4.818 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.735 -3.584 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.383 -6.506 -4.913 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.936 -5.772 -4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.972 -5.417 -6.992 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.794 -4.378 -9.205 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.813 -4.425 -5.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.235 -3.294 -10.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.367 -3.391 -7.313 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.582 -2.827 -9.598 1.00 0.00 H new ATOM 691 N LYS A 43 -7.203 -5.087 -1.861 1.00 0.00 N ATOM 692 CA LYS A 43 -7.183 -5.590 -0.446 1.00 0.00 C ATOM 693 C LYS A 43 -6.631 -4.515 0.489 1.00 0.00 C ATOM 694 O LYS A 43 -5.683 -3.828 0.169 1.00 0.00 O ATOM 695 CB LYS A 43 -6.254 -6.807 -0.357 1.00 0.00 C ATOM 696 CG LYS A 43 -6.801 -7.953 -1.216 1.00 0.00 C ATOM 697 CD LYS A 43 -6.245 -9.294 -0.717 1.00 0.00 C ATOM 698 CE LYS A 43 -4.713 -9.263 -0.732 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.191 -10.659 -0.791 1.00 0.00 N ATOM 0 H LYS A 43 -6.300 -4.770 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.201 -5.851 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.253 -6.536 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.164 -7.131 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.890 -7.963 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.524 -7.801 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.603 -9.493 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.607 -10.105 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.358 -8.693 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.339 -8.760 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.235 -10.655 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.155 -11.057 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.818 -11.240 -1.383 1.00 0.00 H new ATOM 713 N LEU A 44 -7.199 -4.391 1.661 1.00 0.00 N ATOM 714 CA LEU A 44 -6.690 -3.392 2.646 1.00 0.00 C ATOM 715 C LEU A 44 -5.751 -4.121 3.608 1.00 0.00 C ATOM 716 O LEU A 44 -4.669 -3.663 3.917 1.00 0.00 O ATOM 717 CB LEU A 44 -7.866 -2.790 3.426 1.00 0.00 C ATOM 718 CG LEU A 44 -7.355 -1.825 4.508 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.531 -0.698 3.870 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.557 -1.219 5.240 1.00 0.00 C ATOM 0 H LEU A 44 -7.997 -4.941 1.979 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.162 -2.586 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.531 -2.261 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.450 -3.586 3.887 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.723 -2.372 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.175 -0.022 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.678 -1.125 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.154 -0.146 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.206 -0.532 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.181 -0.678 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.141 -2.015 5.702 1.00 0.00 H new ATOM 732 N VAL A 45 -6.173 -5.274 4.062 1.00 0.00 N ATOM 733 CA VAL A 45 -5.346 -6.101 4.991 1.00 0.00 C ATOM 734 C VAL A 45 -5.091 -7.454 4.315 1.00 0.00 C ATOM 735 O VAL A 45 -5.629 -7.744 3.265 1.00 0.00 O ATOM 736 CB VAL A 45 -6.104 -6.324 6.308 1.00 0.00 C ATOM 737 CG1 VAL A 45 -6.031 -5.059 7.167 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.570 -6.653 6.009 1.00 0.00 C ATOM 0 H VAL A 45 -7.075 -5.685 3.822 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.406 -5.595 5.210 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.648 -7.154 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.570 -5.221 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.989 -4.827 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.482 -4.226 6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.106 -6.811 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.025 -5.825 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.624 -7.558 5.403 1.00 0.00 H new ATOM 748 N ALA A 46 -4.265 -8.278 4.894 1.00 0.00 N ATOM 749 CA ALA A 46 -3.963 -9.600 4.268 1.00 0.00 C ATOM 750 C ALA A 46 -5.163 -10.553 4.355 1.00 0.00 C ATOM 751 O ALA A 46 -5.234 -11.526 3.630 1.00 0.00 O ATOM 752 CB ALA A 46 -2.769 -10.223 4.988 1.00 0.00 C ATOM 0 H ALA A 46 -3.784 -8.096 5.775 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.738 -9.440 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.538 -11.190 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.905 -9.565 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.011 -10.360 6.042 1.00 0.00 H new ATOM 758 N THR A 47 -6.098 -10.308 5.239 1.00 0.00 N ATOM 759 CA THR A 47 -7.269 -11.239 5.357 1.00 0.00 C ATOM 760 C THR A 47 -8.376 -10.849 4.370 1.00 0.00 C ATOM 761 O THR A 47 -9.393 -11.506 4.289 1.00 0.00 O ATOM 762 CB THR A 47 -7.837 -11.181 6.779 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.312 -9.868 7.044 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.753 -11.544 7.791 1.00 0.00 C ATOM 0 H THR A 47 -6.105 -9.514 5.879 1.00 0.00 H new ATOM 0 HA THR A 47 -6.924 -12.248 5.130 1.00 0.00 H new ATOM 0 HB THR A 47 -8.657 -11.893 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.677 -9.829 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.166 -11.500 8.799 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.392 -12.553 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.926 -10.839 7.707 1.00 0.00 H new ATOM 772 N ASP A 48 -8.204 -9.798 3.619 1.00 0.00 N ATOM 773 CA ASP A 48 -9.270 -9.408 2.652 1.00 0.00 C ATOM 774 C ASP A 48 -9.316 -10.427 1.510 1.00 0.00 C ATOM 775 O ASP A 48 -8.641 -11.437 1.541 1.00 0.00 O ATOM 776 CB ASP A 48 -8.977 -8.020 2.093 1.00 0.00 C ATOM 777 CG ASP A 48 -9.116 -6.971 3.200 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.034 -7.091 3.994 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.301 -6.063 3.232 1.00 0.00 O ATOM 0 H ASP A 48 -7.380 -9.196 3.631 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.233 -9.390 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.970 -7.991 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.665 -7.794 1.278 1.00 0.00 H new ATOM 784 N ARG A 49 -10.119 -10.181 0.503 1.00 0.00 N ATOM 785 CA ARG A 49 -10.216 -11.153 -0.632 1.00 0.00 C ATOM 786 C ARG A 49 -10.524 -10.390 -1.937 1.00 0.00 C ATOM 787 O ARG A 49 -11.427 -9.578 -1.988 1.00 0.00 O ATOM 788 CB ARG A 49 -11.348 -12.152 -0.310 1.00 0.00 C ATOM 789 CG ARG A 49 -11.003 -13.551 -0.829 1.00 0.00 C ATOM 790 CD ARG A 49 -10.883 -13.526 -2.350 1.00 0.00 C ATOM 791 NE ARG A 49 -10.859 -14.933 -2.847 1.00 0.00 N ATOM 792 CZ ARG A 49 -10.977 -15.183 -4.120 1.00 0.00 C ATOM 793 NH1 ARG A 49 -11.049 -14.200 -4.975 1.00 0.00 N ATOM 794 NH2 ARG A 49 -11.011 -16.421 -4.542 1.00 0.00 N ATOM 0 H ARG A 49 -10.709 -9.353 0.418 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.277 -11.690 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.511 -12.189 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.279 -11.811 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.067 -13.891 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.774 -14.260 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.722 -12.984 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.975 -13.003 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.750 -15.703 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.013 -13.235 -4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.141 -14.397 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.945 -17.189 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.103 -16.618 -5.539 1.00 0.00 H new ATOM 808 N VAL A 50 -9.784 -10.642 -2.994 1.00 0.00 N ATOM 809 CA VAL A 50 -10.050 -9.925 -4.278 1.00 0.00 C ATOM 810 C VAL A 50 -11.226 -10.607 -5.008 1.00 0.00 C ATOM 811 O VAL A 50 -11.218 -11.810 -5.173 1.00 0.00 O ATOM 812 CB VAL A 50 -8.803 -9.985 -5.170 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.595 -9.457 -4.398 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.543 -11.430 -5.611 1.00 0.00 C ATOM 0 H VAL A 50 -9.013 -11.309 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.297 -8.885 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.966 -9.368 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.710 -9.500 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.777 -8.425 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.435 -10.069 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.656 -11.463 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.386 -12.056 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.402 -11.800 -6.171 1.00 0.00 H new ATOM 824 N PRO A 51 -12.233 -9.874 -5.455 1.00 0.00 N ATOM 825 CA PRO A 51 -13.384 -10.497 -6.170 1.00 0.00 C ATOM 826 C PRO A 51 -12.915 -11.449 -7.281 1.00 0.00 C ATOM 827 O PRO A 51 -11.888 -11.243 -7.898 1.00 0.00 O ATOM 828 CB PRO A 51 -14.166 -9.310 -6.762 1.00 0.00 C ATOM 829 CG PRO A 51 -13.756 -8.103 -5.966 1.00 0.00 C ATOM 830 CD PRO A 51 -12.389 -8.410 -5.332 1.00 0.00 C ATOM 0 HA PRO A 51 -13.992 -11.104 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.933 -9.178 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.241 -9.477 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.692 -7.224 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.495 -7.883 -5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.587 -7.882 -5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.358 -8.096 -4.289 1.00 0.00 H new ATOM 838 N ALA A 52 -13.661 -12.485 -7.542 1.00 0.00 N ATOM 839 CA ALA A 52 -13.260 -13.444 -8.609 1.00 0.00 C ATOM 840 C ALA A 52 -12.881 -12.679 -9.878 1.00 0.00 C ATOM 841 O ALA A 52 -13.564 -11.763 -10.287 1.00 0.00 O ATOM 842 CB ALA A 52 -14.426 -14.388 -8.913 1.00 0.00 C ATOM 0 H ALA A 52 -14.532 -12.710 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.402 -14.022 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.132 -15.090 -9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.692 -14.939 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.285 -13.808 -9.251 1.00 0.00 H new ATOM 848 N GLY A 53 -11.793 -13.057 -10.505 1.00 0.00 N ATOM 849 CA GLY A 53 -11.349 -12.365 -11.759 1.00 0.00 C ATOM 850 C GLY A 53 -10.092 -11.540 -11.476 1.00 0.00 C ATOM 851 O GLY A 53 -9.239 -11.380 -12.326 1.00 0.00 O ATOM 0 H GLY A 53 -11.189 -13.820 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.146 -13.099 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.144 -11.718 -12.130 1.00 0.00 H new ATOM 855 N LYS A 54 -9.971 -11.010 -10.285 1.00 0.00 N ATOM 856 CA LYS A 54 -8.770 -10.194 -9.944 1.00 0.00 C ATOM 857 C LYS A 54 -7.719 -11.113 -9.316 1.00 0.00 C ATOM 858 O LYS A 54 -8.020 -11.958 -8.499 1.00 0.00 O ATOM 859 CB LYS A 54 -9.175 -9.078 -8.957 1.00 0.00 C ATOM 860 CG LYS A 54 -9.609 -7.805 -9.710 1.00 0.00 C ATOM 861 CD LYS A 54 -10.996 -7.985 -10.358 1.00 0.00 C ATOM 862 CE LYS A 54 -12.099 -7.622 -9.356 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.422 -8.048 -9.895 1.00 0.00 N ATOM 0 H LYS A 54 -10.654 -11.108 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.355 -9.731 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.991 -9.426 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.337 -8.848 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.634 -6.962 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.874 -7.566 -10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.077 -7.354 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.120 -9.016 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.910 -8.109 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.098 -6.548 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.179 -7.698 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.550 -7.658 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.462 -9.086 -9.937 1.00 0.00 H new ATOM 877 N ARG A 55 -6.485 -10.959 -9.711 1.00 0.00 N ATOM 878 CA ARG A 55 -5.403 -11.827 -9.171 1.00 0.00 C ATOM 879 C ARG A 55 -5.054 -11.417 -7.735 1.00 0.00 C ATOM 880 O ARG A 55 -5.202 -10.278 -7.346 1.00 0.00 O ATOM 881 CB ARG A 55 -4.159 -11.681 -10.058 1.00 0.00 C ATOM 882 CG ARG A 55 -4.433 -12.248 -11.478 1.00 0.00 C ATOM 883 CD ARG A 55 -3.977 -13.714 -11.590 1.00 0.00 C ATOM 884 NE ARG A 55 -4.966 -14.591 -10.897 1.00 0.00 N ATOM 885 CZ ARG A 55 -4.891 -15.890 -11.019 1.00 0.00 C ATOM 886 NH1 ARG A 55 -3.951 -16.428 -11.743 1.00 0.00 N ATOM 887 NH2 ARG A 55 -5.764 -16.649 -10.418 1.00 0.00 N ATOM 0 H ARG A 55 -6.179 -10.263 -10.391 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.744 -12.862 -9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.876 -10.631 -10.128 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.319 -12.208 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.498 -12.178 -11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.911 -11.644 -12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.890 -14.001 -12.638 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.990 -13.835 -11.144 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.702 -14.175 -10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.270 -15.835 -12.217 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.896 -17.442 -11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.503 -16.229 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.708 -17.663 -10.511 1.00 0.00 H new ATOM 901 N ASP A 56 -4.588 -12.347 -6.946 1.00 0.00 N ATOM 902 CA ASP A 56 -4.226 -12.020 -5.541 1.00 0.00 C ATOM 903 C ASP A 56 -3.214 -10.871 -5.536 1.00 0.00 C ATOM 904 O ASP A 56 -2.688 -10.491 -6.562 1.00 0.00 O ATOM 905 CB ASP A 56 -3.605 -13.249 -4.877 1.00 0.00 C ATOM 906 CG ASP A 56 -4.605 -14.406 -4.911 1.00 0.00 C ATOM 907 OD1 ASP A 56 -5.792 -14.145 -4.785 1.00 0.00 O ATOM 908 OD2 ASP A 56 -4.167 -15.533 -5.067 1.00 0.00 O ATOM 0 H ASP A 56 -4.443 -13.320 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.119 -11.724 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.688 -13.531 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.332 -13.020 -3.847 1.00 0.00 H new ATOM 913 N CYS A 57 -2.942 -10.311 -4.390 1.00 0.00 N ATOM 914 CA CYS A 57 -1.968 -9.188 -4.321 1.00 0.00 C ATOM 915 C CYS A 57 -1.559 -8.970 -2.869 1.00 0.00 C ATOM 916 O CYS A 57 -2.181 -9.479 -1.956 1.00 0.00 O ATOM 917 CB CYS A 57 -2.615 -7.914 -4.863 1.00 0.00 C ATOM 918 SG CYS A 57 -1.399 -6.576 -4.866 1.00 0.00 S ATOM 0 H CYS A 57 -3.353 -10.584 -3.497 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.090 -9.429 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.987 -8.084 -5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.473 -7.639 -4.249 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.948 -5.492 -5.329 1.00 0.00 H new ATOM 924 N ILE A 58 -0.522 -8.219 -2.642 1.00 0.00 N ATOM 925 CA ILE A 58 -0.081 -7.974 -1.242 1.00 0.00 C ATOM 926 C ILE A 58 -0.907 -6.826 -0.652 1.00 0.00 C ATOM 927 O ILE A 58 -0.981 -5.750 -1.213 1.00 0.00 O ATOM 928 CB ILE A 58 1.403 -7.613 -1.232 1.00 0.00 C ATOM 929 CG1 ILE A 58 2.193 -8.738 -1.907 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.875 -7.456 0.216 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.644 -8.300 -2.107 1.00 0.00 C ATOM 0 H ILE A 58 0.039 -7.764 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.230 -8.871 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 58 1.562 -6.678 -1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.156 -9.639 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.742 -8.986 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.934 -7.198 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.304 -6.665 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.724 -8.393 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.203 -9.103 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.672 -7.411 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.092 -8.074 -1.140 1.00 0.00 H new ATOM 943 N SER A 59 -1.537 -7.052 0.472 1.00 0.00 N ATOM 944 CA SER A 59 -2.367 -5.978 1.093 1.00 0.00 C ATOM 945 C SER A 59 -1.506 -4.733 1.328 1.00 0.00 C ATOM 946 O SER A 59 -0.299 -4.810 1.432 1.00 0.00 O ATOM 947 CB SER A 59 -2.930 -6.476 2.422 1.00 0.00 C ATOM 948 OG SER A 59 -1.860 -6.786 3.307 1.00 0.00 O ATOM 0 H SER A 59 -1.512 -7.933 0.986 1.00 0.00 H new ATOM 0 HA SER A 59 -3.190 -5.722 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.572 -5.715 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.548 -7.359 2.259 1.00 0.00 H new ATOM 0 HG SER A 59 -2.190 -6.792 4.230 1.00 0.00 H new ATOM 954 N LEU A 60 -2.121 -3.584 1.401 1.00 0.00 N ATOM 955 CA LEU A 60 -1.347 -2.331 1.611 1.00 0.00 C ATOM 956 C LEU A 60 -0.497 -2.441 2.883 1.00 0.00 C ATOM 957 O LEU A 60 0.670 -2.106 2.884 1.00 0.00 O ATOM 958 CB LEU A 60 -2.334 -1.151 1.750 1.00 0.00 C ATOM 959 CG LEU A 60 -2.553 -0.461 0.397 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.120 -1.455 -0.621 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.535 0.695 0.591 1.00 0.00 C ATOM 0 H LEU A 60 -3.131 -3.460 1.324 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.686 -2.167 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.287 -1.512 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.948 -0.431 2.472 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.601 -0.086 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.270 -0.952 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.420 -2.281 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.073 -1.841 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.701 1.196 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.482 0.309 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.123 1.406 1.307 1.00 0.00 H new ATOM 973 N ARG A 61 -1.070 -2.876 3.966 1.00 0.00 N ATOM 974 CA ARG A 61 -0.279 -2.959 5.225 1.00 0.00 C ATOM 975 C ARG A 61 1.003 -3.760 4.994 1.00 0.00 C ATOM 976 O ARG A 61 2.079 -3.325 5.349 1.00 0.00 O ATOM 977 CB ARG A 61 -1.107 -3.641 6.329 1.00 0.00 C ATOM 978 CG ARG A 61 -2.364 -2.814 6.664 1.00 0.00 C ATOM 979 CD ARG A 61 -1.980 -1.434 7.240 1.00 0.00 C ATOM 980 NE ARG A 61 -2.331 -0.410 6.205 1.00 0.00 N ATOM 981 CZ ARG A 61 -1.886 0.809 6.284 1.00 0.00 C ATOM 982 NH1 ARG A 61 -1.048 1.141 7.227 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.259 1.693 5.403 1.00 0.00 N ATOM 0 H ARG A 61 -2.042 -3.176 4.037 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.023 -1.946 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.400 -4.640 6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.497 -3.762 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.967 -2.682 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.978 -3.355 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.517 -1.242 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.916 -1.397 7.473 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.931 -0.674 5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.740 0.443 7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.700 2.098 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.898 1.428 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.912 2.650 5.462 1.00 0.00 H new ATOM 997 N GLU A 62 0.912 -4.927 4.423 1.00 0.00 N ATOM 998 CA GLU A 62 2.150 -5.732 4.205 1.00 0.00 C ATOM 999 C GLU A 62 2.969 -5.167 3.036 1.00 0.00 C ATOM 1000 O GLU A 62 4.184 -5.189 3.060 1.00 0.00 O ATOM 1001 CB GLU A 62 1.782 -7.194 3.924 1.00 0.00 C ATOM 1002 CG GLU A 62 1.266 -7.857 5.209 1.00 0.00 C ATOM 1003 CD GLU A 62 1.236 -9.377 5.029 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.980 -9.820 3.923 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.469 -10.071 6.006 1.00 0.00 O ATOM 0 H GLU A 62 0.045 -5.357 4.100 1.00 0.00 H new ATOM 0 HA GLU A 62 2.757 -5.680 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.019 -7.244 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.653 -7.732 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.908 -7.593 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.267 -7.489 5.444 1.00 0.00 H new ATOM 1012 N LYS A 63 2.330 -4.684 2.004 1.00 0.00 N ATOM 1013 CA LYS A 63 3.103 -4.148 0.844 1.00 0.00 C ATOM 1014 C LYS A 63 3.882 -2.898 1.263 1.00 0.00 C ATOM 1015 O LYS A 63 5.037 -2.730 0.927 1.00 0.00 O ATOM 1016 CB LYS A 63 2.143 -3.783 -0.295 1.00 0.00 C ATOM 1017 CG LYS A 63 2.933 -3.691 -1.610 1.00 0.00 C ATOM 1018 CD LYS A 63 2.112 -2.980 -2.692 1.00 0.00 C ATOM 1019 CE LYS A 63 1.071 -3.935 -3.287 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.747 -4.887 -4.212 1.00 0.00 N ATOM 0 H LYS A 63 1.315 -4.637 1.913 1.00 0.00 H new ATOM 0 HA LYS A 63 3.802 -4.913 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.358 -4.534 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.653 -2.833 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.865 -3.152 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.200 -4.692 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.614 -2.109 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.773 -2.616 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.565 -4.481 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.307 -3.371 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.033 -5.386 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.387 -4.363 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.294 -5.578 -3.660 1.00 0.00 H new ATOM 1034 N ILE A 64 3.254 -2.019 1.986 1.00 0.00 N ATOM 1035 CA ILE A 64 3.947 -0.774 2.422 1.00 0.00 C ATOM 1036 C ILE A 64 5.161 -1.148 3.284 1.00 0.00 C ATOM 1037 O ILE A 64 6.249 -0.659 3.073 1.00 0.00 O ATOM 1038 CB ILE A 64 2.935 0.107 3.208 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.190 1.065 2.250 1.00 0.00 C ATOM 1040 CG2 ILE A 64 3.634 0.935 4.296 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.127 0.299 1.457 1.00 0.00 C ATOM 0 H ILE A 64 2.286 -2.107 2.297 1.00 0.00 H new ATOM 0 HA ILE A 64 4.307 -0.206 1.564 1.00 0.00 H new ATOM 0 HB ILE A 64 2.223 -0.568 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.721 1.868 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.899 1.531 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.896 1.538 4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.128 0.266 5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.375 1.589 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.609 0.985 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.605 -0.488 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.409 -0.146 2.146 1.00 0.00 H new ATOM 1053 N ALA A 65 4.988 -2.003 4.249 1.00 0.00 N ATOM 1054 CA ALA A 65 6.138 -2.382 5.111 1.00 0.00 C ATOM 1055 C ALA A 65 7.288 -2.905 4.248 1.00 0.00 C ATOM 1056 O ALA A 65 8.432 -2.583 4.470 1.00 0.00 O ATOM 1057 CB ALA A 65 5.708 -3.470 6.097 1.00 0.00 C ATOM 0 H ALA A 65 4.103 -2.455 4.478 1.00 0.00 H new ATOM 0 HA ALA A 65 6.472 -1.503 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.554 -3.745 6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.897 -3.095 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.366 -4.346 5.546 1.00 0.00 H new ATOM 1063 N GLU A 66 7.006 -3.712 3.270 1.00 0.00 N ATOM 1064 CA GLU A 66 8.112 -4.246 2.422 1.00 0.00 C ATOM 1065 C GLU A 66 8.707 -3.141 1.545 1.00 0.00 C ATOM 1066 O GLU A 66 9.903 -2.942 1.510 1.00 0.00 O ATOM 1067 CB GLU A 66 7.564 -5.354 1.520 1.00 0.00 C ATOM 1068 CG GLU A 66 8.693 -5.922 0.659 1.00 0.00 C ATOM 1069 CD GLU A 66 8.249 -7.248 0.038 1.00 0.00 C ATOM 1070 OE1 GLU A 66 7.119 -7.641 0.275 1.00 0.00 O ATOM 1071 OE2 GLU A 66 9.048 -7.849 -0.662 1.00 0.00 O ATOM 0 H GLU A 66 6.068 -4.026 3.019 1.00 0.00 H new ATOM 0 HA GLU A 66 8.893 -4.637 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.123 -6.145 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.771 -4.960 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.958 -5.213 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.585 -6.074 1.266 1.00 0.00 H new ATOM 1078 N LEU A 67 7.884 -2.436 0.824 1.00 0.00 N ATOM 1079 CA LEU A 67 8.399 -1.365 -0.079 1.00 0.00 C ATOM 1080 C LEU A 67 8.981 -0.187 0.711 1.00 0.00 C ATOM 1081 O LEU A 67 9.798 0.561 0.210 1.00 0.00 O ATOM 1082 CB LEU A 67 7.239 -0.857 -0.937 1.00 0.00 C ATOM 1083 CG LEU A 67 6.965 -1.802 -2.113 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.698 -1.317 -2.823 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.153 -1.793 -3.105 1.00 0.00 C ATOM 0 H LEU A 67 6.871 -2.554 0.819 1.00 0.00 H new ATOM 0 HA LEU A 67 9.195 -1.786 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.342 -0.765 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.471 0.139 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 67 6.836 -2.820 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.479 -1.973 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.861 -1.332 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.850 -0.300 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.941 -2.469 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.298 -0.783 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.058 -2.120 -2.592 1.00 0.00 H new ATOM 1097 N GLN A 68 8.533 0.026 1.904 1.00 0.00 N ATOM 1098 CA GLN A 68 9.026 1.200 2.675 1.00 0.00 C ATOM 1099 C GLN A 68 10.439 0.979 3.262 1.00 0.00 C ATOM 1100 O GLN A 68 11.379 1.645 2.871 1.00 0.00 O ATOM 1101 CB GLN A 68 8.041 1.489 3.804 1.00 0.00 C ATOM 1102 CG GLN A 68 8.325 2.865 4.384 1.00 0.00 C ATOM 1103 CD GLN A 68 7.413 3.111 5.581 1.00 0.00 C ATOM 1104 OE1 GLN A 68 6.893 2.091 6.205 1.00 0.00 O flip ATOM 1105 NE2 GLN A 68 7.169 4.242 5.955 1.00 0.00 N flip ATOM 0 H GLN A 68 7.848 -0.557 2.385 1.00 0.00 H new ATOM 0 HA GLN A 68 9.097 2.045 1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.018 1.445 3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.129 0.730 4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.369 2.934 4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.163 3.631 3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.576 5.040 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.557 4.393 6.757 1.00 0.00 H new