USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 501 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -5.5! C(o=-5.5!,f=-8!) USER MOD Single : A 17 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.32) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= -3.51 USER MOD Single : A 30 SER OG : rot 60:sc= 0.00485 USER MOD Single : A 42 MET CE :methyl -163:sc= -0.274 (180deg=-0.615) USER MOD Single : A 43 GLN : amide:sc= -3.1! C(o=-3.1!,f=-3.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.66) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.95 X(o=-1.9,f=-2.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.0179 (180deg=-0.388) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 69 MET CE :methyl 138:sc= -2.66! (180deg=-3.2!) USER MOD Single : A 72 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.254 -9.199 -10.786 1.00 0.00 N ATOM 60 CA GLY A 7 -1.146 -7.792 -10.439 1.00 0.00 C ATOM 61 C GLY A 7 -0.397 -7.610 -9.117 1.00 0.00 C ATOM 62 O GLY A 7 -0.058 -8.587 -8.452 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.625 -7.257 -11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.142 -7.356 -10.360 1.00 0.00 H new ATOM 66 N PRO A 8 -0.155 -6.318 -8.767 1.00 0.00 N ATOM 67 CA PRO A 8 0.547 -5.995 -7.537 1.00 0.00 C ATOM 68 C PRO A 8 -0.359 -6.191 -6.320 1.00 0.00 C ATOM 69 O PRO A 8 0.109 -6.567 -5.247 1.00 0.00 O ATOM 70 CB PRO A 8 1.005 -4.556 -7.711 1.00 0.00 C ATOM 71 CG PRO A 8 0.148 -3.978 -8.826 1.00 0.00 C ATOM 72 CD PRO A 8 -0.542 -5.135 -9.530 1.00 0.00 C ATOM 0 HA PRO A 8 1.398 -6.651 -7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.877 -3.991 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.063 -4.511 -7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.588 -3.284 -8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.763 -3.416 -9.528 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.624 -5.005 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.223 -5.213 -10.569 1.00 0.00 H new ATOM 80 N ILE A 9 -1.641 -5.928 -6.529 1.00 0.00 N ATOM 81 CA ILE A 9 -2.617 -6.071 -5.462 1.00 0.00 C ATOM 82 C ILE A 9 -2.666 -7.533 -5.014 1.00 0.00 C ATOM 83 O ILE A 9 -2.228 -7.863 -3.913 1.00 0.00 O ATOM 84 CB ILE A 9 -3.974 -5.517 -5.901 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.840 -4.083 -6.417 1.00 0.00 C ATOM 86 CG2 ILE A 9 -5.001 -5.625 -4.772 1.00 0.00 C ATOM 87 CD1 ILE A 9 -3.335 -3.148 -5.316 1.00 0.00 C ATOM 0 H ILE A 9 -2.026 -5.617 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.322 -5.481 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.339 -6.125 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.152 -4.060 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.805 -3.733 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.957 -5.224 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.125 -6.671 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.654 -5.057 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.249 -2.135 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.037 -3.155 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.358 -3.487 -4.970 1.00 0.00 H new ATOM 99 N SER A 10 -3.203 -8.370 -5.890 1.00 0.00 N ATOM 100 CA SER A 10 -3.315 -9.789 -5.597 1.00 0.00 C ATOM 101 C SER A 10 -1.990 -10.314 -5.041 1.00 0.00 C ATOM 102 O SER A 10 -1.966 -10.964 -3.997 1.00 0.00 O ATOM 103 CB SER A 10 -3.716 -10.578 -6.845 1.00 0.00 C ATOM 104 OG SER A 10 -4.973 -11.230 -6.683 1.00 0.00 O ATOM 0 H SER A 10 -3.565 -8.093 -6.802 1.00 0.00 H new ATOM 0 HA SER A 10 -4.095 -9.924 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.765 -9.904 -7.700 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.949 -11.320 -7.067 1.00 0.00 H new ATOM 0 HG SER A 10 -5.195 -11.721 -7.501 1.00 0.00 H new ATOM 110 N ARG A 11 -0.920 -10.013 -5.762 1.00 0.00 N ATOM 111 CA ARG A 11 0.405 -10.447 -5.353 1.00 0.00 C ATOM 112 C ARG A 11 0.645 -10.103 -3.882 1.00 0.00 C ATOM 113 O ARG A 11 1.048 -10.961 -3.098 1.00 0.00 O ATOM 114 CB ARG A 11 1.489 -9.787 -6.208 1.00 0.00 C ATOM 115 CG ARG A 11 2.865 -10.383 -5.905 1.00 0.00 C ATOM 116 CD ARG A 11 3.948 -9.727 -6.764 1.00 0.00 C ATOM 117 NE ARG A 11 5.075 -9.290 -5.911 1.00 0.00 N ATOM 118 CZ ARG A 11 6.014 -8.416 -6.297 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.968 -7.882 -7.525 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.000 -8.077 -5.455 1.00 0.00 N ATOM 0 H ARG A 11 -0.944 -9.474 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 11 0.458 -11.527 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.256 -9.921 -7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.504 -8.714 -6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.100 -10.246 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.849 -11.457 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.303 -10.431 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.532 -8.872 -7.298 1.00 0.00 H new ATOM 0 HE ARG A 11 5.141 -9.678 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.218 -8.141 -8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.683 -7.217 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.035 -8.484 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.715 -7.412 -5.749 1.00 0.00 H new ATOM 134 N LEU A 12 0.388 -8.846 -3.551 1.00 0.00 N ATOM 135 CA LEU A 12 0.572 -8.378 -2.188 1.00 0.00 C ATOM 136 C LEU A 12 -0.341 -9.174 -1.253 1.00 0.00 C ATOM 137 O LEU A 12 0.087 -9.612 -0.187 1.00 0.00 O ATOM 138 CB LEU A 12 0.364 -6.864 -2.109 1.00 0.00 C ATOM 139 CG LEU A 12 1.326 -6.103 -1.195 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.842 -4.670 -0.961 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.546 -6.855 0.119 1.00 0.00 C ATOM 0 H LEU A 12 0.054 -8.137 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 12 1.596 -8.553 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.448 -6.453 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.655 -6.674 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 12 2.293 -6.039 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.544 -4.151 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.779 -4.147 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.142 -4.690 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.234 -6.292 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.593 -6.972 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.968 -7.838 -0.091 1.00 0.00 H new ATOM 153 N ALA A 13 -1.582 -9.336 -1.687 1.00 0.00 N ATOM 154 CA ALA A 13 -2.559 -10.072 -0.902 1.00 0.00 C ATOM 155 C ALA A 13 -2.031 -11.482 -0.629 1.00 0.00 C ATOM 156 O ALA A 13 -2.168 -11.996 0.480 1.00 0.00 O ATOM 157 CB ALA A 13 -3.901 -10.084 -1.638 1.00 0.00 C ATOM 0 H ALA A 13 -1.934 -8.970 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.720 -9.588 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.634 -10.636 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.247 -9.060 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.779 -10.564 -2.609 1.00 0.00 H new ATOM 163 N GLN A 14 -1.439 -12.067 -1.660 1.00 0.00 N ATOM 164 CA GLN A 14 -0.889 -13.407 -1.545 1.00 0.00 C ATOM 165 C GLN A 14 0.261 -13.425 -0.536 1.00 0.00 C ATOM 166 O GLN A 14 0.530 -14.452 0.086 1.00 0.00 O ATOM 167 CB GLN A 14 -0.431 -13.930 -2.908 1.00 0.00 C ATOM 168 CG GLN A 14 -1.605 -14.518 -3.693 1.00 0.00 C ATOM 169 CD GLN A 14 -1.177 -15.766 -4.467 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.041 -16.850 -3.923 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.973 -15.555 -5.765 1.00 0.00 N ATOM 0 H GLN A 14 -1.328 -11.638 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.674 -14.071 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.023 -13.120 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.337 -14.692 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.415 -14.770 -3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.994 -13.772 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.105 -14.623 -6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.685 -16.326 -6.368 1.00 0.00 H new ATOM 180 N ILE A 15 0.908 -12.276 -0.404 1.00 0.00 N ATOM 181 CA ILE A 15 2.023 -12.147 0.519 1.00 0.00 C ATOM 182 C ILE A 15 1.484 -11.973 1.940 1.00 0.00 C ATOM 183 O ILE A 15 2.095 -12.440 2.900 1.00 0.00 O ATOM 184 CB ILE A 15 2.959 -11.022 0.074 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.574 -11.329 -1.294 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.028 -10.747 1.133 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.269 -10.094 -1.872 1.00 0.00 C ATOM 0 H ILE A 15 0.681 -11.426 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 15 2.628 -13.054 0.516 1.00 0.00 H new ATOM 0 HB ILE A 15 2.370 -10.111 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.292 -12.144 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.796 -11.667 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.680 -9.943 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.548 -10.453 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.619 -11.648 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.697 -10.339 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.543 -9.289 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.062 -9.773 -1.196 1.00 0.00 H new ATOM 199 N GLN A 16 0.347 -11.300 2.030 1.00 0.00 N ATOM 200 CA GLN A 16 -0.281 -11.059 3.318 1.00 0.00 C ATOM 201 C GLN A 16 -0.895 -12.351 3.859 1.00 0.00 C ATOM 202 O GLN A 16 -0.959 -12.552 5.071 1.00 0.00 O ATOM 203 CB GLN A 16 -1.332 -9.952 3.217 1.00 0.00 C ATOM 204 CG GLN A 16 -0.705 -8.643 2.732 1.00 0.00 C ATOM 205 CD GLN A 16 0.689 -8.447 3.331 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.666 -8.222 2.636 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.727 -8.547 4.657 1.00 0.00 N ATOM 0 H GLN A 16 -0.156 -10.914 1.231 1.00 0.00 H new ATOM 0 HA GLN A 16 0.485 -10.724 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.122 -10.257 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.797 -9.798 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.640 -8.648 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.345 -7.805 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.129 -8.737 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.612 -8.434 5.152 1.00 0.00 H new ATOM 216 N GLN A 17 -1.333 -13.193 2.935 1.00 0.00 N ATOM 217 CA GLN A 17 -1.941 -14.460 3.304 1.00 0.00 C ATOM 218 C GLN A 17 -0.862 -15.526 3.508 1.00 0.00 C ATOM 219 O GLN A 17 -0.925 -16.303 4.460 1.00 0.00 O ATOM 220 CB GLN A 17 -2.961 -14.906 2.255 1.00 0.00 C ATOM 221 CG GLN A 17 -2.288 -15.721 1.148 1.00 0.00 C ATOM 222 CD GLN A 17 -3.281 -16.054 0.032 1.00 0.00 C ATOM 223 OE1 GLN A 17 -3.563 -17.204 -0.261 1.00 0.00 O ATOM 224 NE2 GLN A 17 -3.793 -14.985 -0.572 1.00 0.00 N ATOM 0 H GLN A 17 -1.279 -13.023 1.931 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.474 -14.325 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.739 -15.504 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.449 -14.033 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.449 -15.160 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.882 -16.642 1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.513 -14.050 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.465 -15.101 -1.330 1.00 0.00 H new ATOM 233 N ALA A 18 0.101 -15.529 2.599 1.00 0.00 N ATOM 234 CA ALA A 18 1.192 -16.487 2.667 1.00 0.00 C ATOM 235 C ALA A 18 2.006 -16.237 3.938 1.00 0.00 C ATOM 236 O ALA A 18 2.537 -17.173 4.534 1.00 0.00 O ATOM 237 CB ALA A 18 2.042 -16.384 1.399 1.00 0.00 C ATOM 0 H ALA A 18 0.149 -14.883 1.811 1.00 0.00 H new ATOM 0 HA ALA A 18 0.806 -17.505 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.860 -17.102 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.423 -16.600 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.449 -15.376 1.315 1.00 0.00 H new ATOM 243 N ARG A 19 2.080 -14.969 4.315 1.00 0.00 N ATOM 244 CA ARG A 19 2.821 -14.583 5.503 1.00 0.00 C ATOM 245 C ARG A 19 2.032 -14.947 6.762 1.00 0.00 C ATOM 246 O ARG A 19 2.597 -15.031 7.852 1.00 0.00 O ATOM 247 CB ARG A 19 3.111 -13.081 5.509 1.00 0.00 C ATOM 248 CG ARG A 19 4.379 -12.764 4.714 1.00 0.00 C ATOM 249 CD ARG A 19 4.707 -11.271 4.775 1.00 0.00 C ATOM 250 NE ARG A 19 6.156 -11.080 5.009 1.00 0.00 N ATOM 251 CZ ARG A 19 6.718 -9.905 5.321 1.00 0.00 C ATOM 252 NH1 ARG A 19 5.957 -8.808 5.440 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.041 -9.825 5.516 1.00 0.00 N ATOM 0 H ARG A 19 1.638 -14.195 3.818 1.00 0.00 H new ATOM 0 HA ARG A 19 3.767 -15.124 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.265 -12.542 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.225 -12.733 6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.215 -13.340 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.247 -13.069 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.414 -10.788 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.136 -10.797 5.573 1.00 0.00 H new ATOM 0 HE ARG A 19 6.765 -11.894 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.949 -8.868 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.385 -7.913 5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.621 -10.659 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.468 -8.930 5.754 1.00 0.00 H new ATOM 267 N LYS A 20 0.737 -15.154 6.571 1.00 0.00 N ATOM 268 CA LYS A 20 -0.136 -15.508 7.678 1.00 0.00 C ATOM 269 C LYS A 20 -0.255 -14.315 8.629 1.00 0.00 C ATOM 270 O LYS A 20 -0.484 -14.491 9.825 1.00 0.00 O ATOM 271 CB LYS A 20 0.352 -16.790 8.356 1.00 0.00 C ATOM 272 CG LYS A 20 0.194 -17.995 7.428 1.00 0.00 C ATOM 273 CD LYS A 20 0.049 -19.290 8.230 1.00 0.00 C ATOM 274 CE LYS A 20 0.361 -20.511 7.363 1.00 0.00 C ATOM 275 NZ LYS A 20 0.278 -21.752 8.165 1.00 0.00 N ATOM 0 H LYS A 20 0.271 -15.083 5.666 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.140 -15.729 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.399 -16.680 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.211 -16.957 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.681 -17.857 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.059 -18.066 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.721 -19.268 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.965 -19.368 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.341 -20.562 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.358 -20.414 6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.493 -22.571 7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.964 -21.708 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.682 -21.851 8.554 1.00 0.00 H new ATOM 289 N GLU A 21 -0.093 -13.129 8.062 1.00 0.00 N ATOM 290 CA GLU A 21 -0.179 -11.908 8.845 1.00 0.00 C ATOM 291 C GLU A 21 -1.593 -11.328 8.771 1.00 0.00 C ATOM 292 O GLU A 21 -2.364 -11.441 9.722 1.00 0.00 O ATOM 293 CB GLU A 21 0.858 -10.884 8.380 1.00 0.00 C ATOM 294 CG GLU A 21 2.280 -11.400 8.609 1.00 0.00 C ATOM 295 CD GLU A 21 2.675 -11.284 10.083 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.874 -10.133 10.528 1.00 0.00 O ATOM 297 OE2 GLU A 21 2.768 -12.349 10.731 1.00 0.00 O ATOM 0 H GLU A 21 0.097 -12.987 7.070 1.00 0.00 H new ATOM 0 HA GLU A 21 0.039 -12.151 9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.712 -10.668 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.716 -9.947 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.349 -12.440 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.980 -10.832 7.996 1.00 0.00 H new ATOM 304 N LYS A 22 -1.890 -10.721 7.632 1.00 0.00 N ATOM 305 CA LYS A 22 -3.198 -10.124 7.421 1.00 0.00 C ATOM 306 C LYS A 22 -3.173 -9.293 6.137 1.00 0.00 C ATOM 307 O LYS A 22 -2.244 -8.518 5.912 1.00 0.00 O ATOM 308 CB LYS A 22 -3.631 -9.333 8.657 1.00 0.00 C ATOM 309 CG LYS A 22 -4.791 -8.392 8.327 1.00 0.00 C ATOM 310 CD LYS A 22 -4.419 -6.938 8.624 1.00 0.00 C ATOM 311 CE LYS A 22 -4.747 -6.573 10.073 1.00 0.00 C ATOM 312 NZ LYS A 22 -3.746 -5.624 10.608 1.00 0.00 N ATOM 0 H LYS A 22 -1.247 -10.630 6.845 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.953 -10.898 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.930 -10.021 9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.788 -8.757 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.060 -8.495 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.669 -8.673 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.356 -6.786 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.959 -6.275 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.742 -6.130 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.766 -7.474 10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.984 -5.387 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.802 -6.060 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.747 -4.757 10.033 1.00 0.00 H new ATOM 326 N GLU A 23 -4.205 -9.481 5.327 1.00 0.00 N ATOM 327 CA GLU A 23 -4.314 -8.759 4.072 1.00 0.00 C ATOM 328 C GLU A 23 -3.845 -7.313 4.249 1.00 0.00 C ATOM 329 O GLU A 23 -3.819 -6.798 5.365 1.00 0.00 O ATOM 330 CB GLU A 23 -5.745 -8.809 3.532 1.00 0.00 C ATOM 331 CG GLU A 23 -6.053 -10.178 2.922 1.00 0.00 C ATOM 332 CD GLU A 23 -7.137 -10.903 3.722 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.110 -10.220 4.108 1.00 0.00 O ATOM 334 OE2 GLU A 23 -6.968 -12.124 3.929 1.00 0.00 O ATOM 0 H GLU A 23 -4.974 -10.124 5.517 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.668 -9.243 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.449 -8.599 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.881 -8.033 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.379 -10.055 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.146 -10.783 2.900 1.00 0.00 H new ATOM 341 N PRO A 24 -3.476 -6.683 3.101 1.00 0.00 N ATOM 342 CA PRO A 24 -3.010 -5.307 3.119 1.00 0.00 C ATOM 343 C PRO A 24 -4.175 -4.336 3.318 1.00 0.00 C ATOM 344 O PRO A 24 -5.280 -4.579 2.837 1.00 0.00 O ATOM 345 CB PRO A 24 -2.298 -5.116 1.790 1.00 0.00 C ATOM 346 CG PRO A 24 -2.792 -6.236 0.888 1.00 0.00 C ATOM 347 CD PRO A 24 -3.494 -7.263 1.761 1.00 0.00 C ATOM 0 HA PRO A 24 -2.336 -5.102 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.526 -4.140 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.216 -5.164 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.475 -5.845 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.958 -6.694 0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.514 -7.442 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.977 -8.222 1.738 1.00 0.00 H new ATOM 355 N ASP A 25 -3.888 -3.256 4.030 1.00 0.00 N ATOM 356 CA ASP A 25 -4.898 -2.247 4.299 1.00 0.00 C ATOM 357 C ASP A 25 -4.722 -1.082 3.322 1.00 0.00 C ATOM 358 O ASP A 25 -3.818 -0.264 3.482 1.00 0.00 O ATOM 359 CB ASP A 25 -4.762 -1.696 5.720 1.00 0.00 C ATOM 360 CG ASP A 25 -6.066 -1.632 6.517 1.00 0.00 C ATOM 361 OD1 ASP A 25 -6.988 -2.397 6.158 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.113 -0.820 7.466 1.00 0.00 O ATOM 0 H ASP A 25 -2.970 -3.058 4.429 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.877 -2.712 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.050 -2.314 6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.338 -0.693 5.666 1.00 0.00 H new ATOM 367 N TYR A 26 -5.602 -1.044 2.332 1.00 0.00 N ATOM 368 CA TYR A 26 -5.555 0.006 1.329 1.00 0.00 C ATOM 369 C TYR A 26 -6.394 1.212 1.759 1.00 0.00 C ATOM 370 O TYR A 26 -7.515 1.053 2.239 1.00 0.00 O ATOM 371 CB TYR A 26 -6.162 -0.595 0.060 1.00 0.00 C ATOM 372 CG TYR A 26 -5.208 -1.508 -0.713 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.241 -0.961 -1.532 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.315 -2.879 -0.592 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.344 -1.821 -2.260 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.418 -3.738 -1.319 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.476 -3.167 -2.117 1.00 0.00 C ATOM 378 OH TYR A 26 -2.629 -3.978 -2.805 1.00 0.00 O ATOM 0 H TYR A 26 -6.352 -1.724 2.203 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.531 0.349 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.053 -1.162 0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.485 0.214 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.157 0.112 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.072 -3.307 0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.584 -1.406 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.491 -4.812 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.672 -4.885 -2.436 1.00 0.00 H new ATOM 388 N ILE A 27 -5.817 2.390 1.572 1.00 0.00 N ATOM 389 CA ILE A 27 -6.497 3.622 1.934 1.00 0.00 C ATOM 390 C ILE A 27 -6.361 4.630 0.791 1.00 0.00 C ATOM 391 O ILE A 27 -5.568 4.429 -0.127 1.00 0.00 O ATOM 392 CB ILE A 27 -5.983 4.143 3.278 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.848 3.005 4.292 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.867 5.276 3.802 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.404 2.505 4.367 1.00 0.00 C ATOM 0 H ILE A 27 -4.886 2.517 1.175 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.563 3.441 2.075 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.987 4.557 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.169 3.349 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.507 2.183 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.479 5.628 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.867 6.098 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.885 4.911 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.336 1.697 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.094 2.139 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.751 3.323 4.671 1.00 0.00 H new ATOM 407 N LEU A 28 -7.148 5.692 0.885 1.00 0.00 N ATOM 408 CA LEU A 28 -7.125 6.731 -0.130 1.00 0.00 C ATOM 409 C LEU A 28 -6.477 7.990 0.450 1.00 0.00 C ATOM 410 O LEU A 28 -7.042 8.633 1.333 1.00 0.00 O ATOM 411 CB LEU A 28 -8.530 6.965 -0.689 1.00 0.00 C ATOM 412 CG LEU A 28 -8.620 7.863 -1.925 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.208 9.298 -1.591 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.801 7.286 -3.082 1.00 0.00 C ATOM 0 H LEU A 28 -7.805 5.855 1.648 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.516 6.420 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.967 5.997 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.145 7.402 0.098 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.660 7.894 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.281 9.915 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.869 9.696 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.180 9.306 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.882 7.943 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.756 7.206 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.181 6.298 -3.340 1.00 0.00 H new ATOM 426 N LEU A 29 -5.300 8.305 -0.071 1.00 0.00 N ATOM 427 CA LEU A 29 -4.569 9.475 0.384 1.00 0.00 C ATOM 428 C LEU A 29 -5.320 10.738 -0.044 1.00 0.00 C ATOM 429 O LEU A 29 -5.775 11.509 0.800 1.00 0.00 O ATOM 430 CB LEU A 29 -3.121 9.426 -0.106 1.00 0.00 C ATOM 431 CG LEU A 29 -2.213 8.406 0.585 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.738 8.752 0.373 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.564 8.276 2.068 1.00 0.00 C ATOM 0 H LEU A 29 -4.835 7.770 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.513 9.490 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.127 9.212 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.683 10.416 0.018 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.384 7.432 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.115 8.011 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.514 8.752 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.533 9.739 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.904 7.545 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.440 9.242 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.599 7.948 2.170 1.00 0.00 H new ATOM 445 N SER A 30 -5.427 10.910 -1.353 1.00 0.00 N ATOM 446 CA SER A 30 -6.115 12.066 -1.902 1.00 0.00 C ATOM 447 C SER A 30 -6.238 11.928 -3.421 1.00 0.00 C ATOM 448 O SER A 30 -5.956 10.868 -3.977 1.00 0.00 O ATOM 449 CB SER A 30 -5.385 13.362 -1.544 1.00 0.00 C ATOM 450 OG SER A 30 -6.158 14.188 -0.677 1.00 0.00 O ATOM 0 H SER A 30 -5.049 10.268 -2.050 1.00 0.00 H new ATOM 0 HA SER A 30 -7.113 12.110 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.435 13.123 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.153 13.911 -2.456 1.00 0.00 H new ATOM 0 HG SER A 30 -6.350 13.703 0.152 1.00 0.00 H new ATOM 456 N GLU A 31 -6.660 13.016 -4.049 1.00 0.00 N ATOM 457 CA GLU A 31 -6.825 13.030 -5.493 1.00 0.00 C ATOM 458 C GLU A 31 -6.469 14.408 -6.054 1.00 0.00 C ATOM 459 O GLU A 31 -7.119 15.401 -5.730 1.00 0.00 O ATOM 460 CB GLU A 31 -8.248 12.628 -5.887 1.00 0.00 C ATOM 461 CG GLU A 31 -8.291 12.099 -7.322 1.00 0.00 C ATOM 462 CD GLU A 31 -8.821 13.165 -8.283 1.00 0.00 C ATOM 463 OE1 GLU A 31 -8.132 14.200 -8.419 1.00 0.00 O ATOM 464 OE2 GLU A 31 -9.903 12.922 -8.860 1.00 0.00 O ATOM 0 H GLU A 31 -6.893 13.894 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.144 12.296 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.616 11.864 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.912 13.487 -5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.292 11.791 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.926 11.214 -7.368 1.00 0.00 H new ATOM 605 N GLU A 39 -4.561 12.766 -10.934 1.00 0.00 N ATOM 606 CA GLU A 39 -3.733 11.722 -10.356 1.00 0.00 C ATOM 607 C GLU A 39 -4.191 11.409 -8.930 1.00 0.00 C ATOM 608 O GLU A 39 -4.207 12.291 -8.072 1.00 0.00 O ATOM 609 CB GLU A 39 -2.255 12.116 -10.383 1.00 0.00 C ATOM 610 CG GLU A 39 -1.406 11.115 -9.598 1.00 0.00 C ATOM 611 CD GLU A 39 0.084 11.435 -9.732 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.634 11.136 -10.814 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.640 11.972 -8.749 1.00 0.00 O ATOM 0 HA GLU A 39 -3.846 10.821 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.906 12.163 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.133 13.113 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.693 11.135 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.599 10.106 -9.961 1.00 0.00 H new ATOM 620 N PHE A 40 -4.552 10.152 -8.721 1.00 0.00 N ATOM 621 CA PHE A 40 -5.009 9.712 -7.413 1.00 0.00 C ATOM 622 C PHE A 40 -3.841 9.199 -6.568 1.00 0.00 C ATOM 623 O PHE A 40 -2.798 8.827 -7.105 1.00 0.00 O ATOM 624 CB PHE A 40 -5.996 8.566 -7.647 1.00 0.00 C ATOM 625 CG PHE A 40 -7.369 9.020 -8.146 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.468 9.770 -9.276 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.491 8.674 -7.460 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.742 10.191 -9.740 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.765 9.095 -7.923 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.864 9.844 -9.054 1.00 0.00 C ATOM 0 H PHE A 40 -4.538 9.424 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.470 10.544 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.568 7.874 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.123 8.014 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.577 10.046 -9.821 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.413 8.079 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.820 10.787 -10.637 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.656 8.821 -7.377 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.833 10.163 -9.407 1.00 0.00 H new ATOM 640 N VAL A 41 -4.055 9.196 -5.261 1.00 0.00 N ATOM 641 CA VAL A 41 -3.033 8.735 -4.336 1.00 0.00 C ATOM 642 C VAL A 41 -3.612 7.628 -3.453 1.00 0.00 C ATOM 643 O VAL A 41 -4.594 7.845 -2.744 1.00 0.00 O ATOM 644 CB VAL A 41 -2.483 9.915 -3.533 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.285 9.489 -2.683 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.116 11.081 -4.453 1.00 0.00 C ATOM 0 H VAL A 41 -4.921 9.505 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.190 8.309 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.268 10.256 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.913 10.347 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.591 8.707 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.495 9.110 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.728 11.907 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.356 10.758 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.003 11.410 -4.995 1.00 0.00 H new ATOM 656 N MET A 42 -2.980 6.466 -3.524 1.00 0.00 N ATOM 657 CA MET A 42 -3.420 5.325 -2.739 1.00 0.00 C ATOM 658 C MET A 42 -2.355 4.915 -1.721 1.00 0.00 C ATOM 659 O MET A 42 -1.159 5.050 -1.980 1.00 0.00 O ATOM 660 CB MET A 42 -3.716 4.148 -3.671 1.00 0.00 C ATOM 661 CG MET A 42 -5.188 3.739 -3.588 1.00 0.00 C ATOM 662 SD MET A 42 -5.430 2.607 -2.229 1.00 0.00 S ATOM 663 CE MET A 42 -7.206 2.432 -2.284 1.00 0.00 C ATOM 0 H MET A 42 -2.166 6.290 -4.113 1.00 0.00 H new ATOM 0 HA MET A 42 -4.323 5.607 -2.197 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.468 4.421 -4.697 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.084 3.301 -3.405 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.812 4.622 -3.452 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.497 3.270 -4.522 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.560 2.013 -1.342 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.663 3.409 -2.441 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.481 1.767 -3.103 1.00 0.00 H new ATOM 673 N GLN A 43 -2.825 4.424 -0.585 1.00 0.00 N ATOM 674 CA GLN A 43 -1.928 3.994 0.474 1.00 0.00 C ATOM 675 C GLN A 43 -2.179 2.524 0.818 1.00 0.00 C ATOM 676 O GLN A 43 -3.275 2.011 0.601 1.00 0.00 O ATOM 677 CB GLN A 43 -2.075 4.880 1.712 1.00 0.00 C ATOM 678 CG GLN A 43 -0.817 4.822 2.581 1.00 0.00 C ATOM 679 CD GLN A 43 -0.877 5.861 3.703 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.054 6.757 3.799 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.895 5.692 4.543 1.00 0.00 N ATOM 0 H GLN A 43 -3.817 4.314 -0.374 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.903 4.094 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.263 5.909 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.938 4.557 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.712 3.825 3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.064 4.998 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.548 4.920 4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.023 6.334 5.325 1.00 0.00 H new ATOM 690 N VAL A 44 -1.145 1.889 1.350 1.00 0.00 N ATOM 691 CA VAL A 44 -1.239 0.489 1.727 1.00 0.00 C ATOM 692 C VAL A 44 -0.498 0.269 3.047 1.00 0.00 C ATOM 693 O VAL A 44 0.647 0.692 3.198 1.00 0.00 O ATOM 694 CB VAL A 44 -0.716 -0.394 0.593 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.789 -0.200 0.397 1.00 0.00 C ATOM 696 CG2 VAL A 44 -1.050 -1.866 0.845 1.00 0.00 C ATOM 0 H VAL A 44 -0.237 2.319 1.529 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.279 0.206 1.888 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.216 -0.089 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.136 -0.839 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.992 0.842 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.313 -0.465 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.667 -2.472 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.590 -2.189 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.131 -1.988 0.912 1.00 0.00 H new ATOM 706 N LYS A 45 -1.182 -0.392 3.970 1.00 0.00 N ATOM 707 CA LYS A 45 -0.602 -0.673 5.272 1.00 0.00 C ATOM 708 C LYS A 45 -0.533 -2.187 5.479 1.00 0.00 C ATOM 709 O LYS A 45 -1.554 -2.871 5.429 1.00 0.00 O ATOM 710 CB LYS A 45 -1.372 0.063 6.371 1.00 0.00 C ATOM 711 CG LYS A 45 -0.451 0.425 7.538 1.00 0.00 C ATOM 712 CD LYS A 45 -1.261 0.813 8.776 1.00 0.00 C ATOM 713 CE LYS A 45 -1.256 2.329 8.981 1.00 0.00 C ATOM 714 NZ LYS A 45 -2.627 2.822 9.240 1.00 0.00 N ATOM 0 H LYS A 45 -2.132 -0.741 3.842 1.00 0.00 H new ATOM 0 HA LYS A 45 0.420 -0.297 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.820 0.969 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.189 -0.563 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.195 -0.421 7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.199 1.252 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.287 0.460 8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.845 0.322 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.607 2.587 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.848 2.820 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.605 3.853 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.237 2.593 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.004 2.367 10.096 1.00 0.00 H new ATOM 728 N VAL A 46 0.681 -2.666 5.706 1.00 0.00 N ATOM 729 CA VAL A 46 0.898 -4.087 5.921 1.00 0.00 C ATOM 730 C VAL A 46 1.743 -4.285 7.180 1.00 0.00 C ATOM 731 O VAL A 46 2.931 -3.967 7.191 1.00 0.00 O ATOM 732 CB VAL A 46 1.525 -4.714 4.674 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.220 -6.034 5.016 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.479 -4.914 3.575 1.00 0.00 C ATOM 0 H VAL A 46 1.525 -2.095 5.746 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.051 -4.599 6.084 1.00 0.00 H new ATOM 0 HB VAL A 46 2.280 -4.025 4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.657 -6.460 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.006 -5.852 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.492 -6.732 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.951 -5.361 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.309 -5.573 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.049 -3.950 3.302 1.00 0.00 H new ATOM 744 N GLY A 47 1.098 -4.811 8.211 1.00 0.00 N ATOM 745 CA GLY A 47 1.776 -5.056 9.472 1.00 0.00 C ATOM 746 C GLY A 47 2.352 -3.759 10.046 1.00 0.00 C ATOM 747 O GLY A 47 1.611 -2.914 10.545 1.00 0.00 O ATOM 0 H GLY A 47 0.113 -5.074 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.078 -5.495 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.577 -5.780 9.324 1.00 0.00 H new ATOM 751 N ASN A 48 3.669 -3.644 9.956 1.00 0.00 N ATOM 752 CA ASN A 48 4.352 -2.465 10.460 1.00 0.00 C ATOM 753 C ASN A 48 4.994 -1.714 9.291 1.00 0.00 C ATOM 754 O ASN A 48 5.968 -0.987 9.476 1.00 0.00 O ATOM 755 CB ASN A 48 5.462 -2.849 11.441 1.00 0.00 C ATOM 756 CG ASN A 48 5.759 -1.701 12.409 1.00 0.00 C ATOM 757 OD1 ASN A 48 5.602 -0.533 12.094 1.00 0.00 O ATOM 758 ND2 ASN A 48 6.197 -2.098 13.600 1.00 0.00 N ATOM 0 H ASN A 48 4.281 -4.347 9.542 1.00 0.00 H new ATOM 0 HA ASN A 48 3.618 -1.843 10.971 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.166 -3.735 12.002 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.366 -3.108 10.890 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.424 -1.408 14.316 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.306 -3.093 13.798 1.00 0.00 H new ATOM 765 N GLU A 49 4.421 -1.917 8.114 1.00 0.00 N ATOM 766 CA GLU A 49 4.925 -1.268 6.915 1.00 0.00 C ATOM 767 C GLU A 49 3.796 -0.522 6.201 1.00 0.00 C ATOM 768 O GLU A 49 2.625 -0.861 6.361 1.00 0.00 O ATOM 769 CB GLU A 49 5.589 -2.281 5.981 1.00 0.00 C ATOM 770 CG GLU A 49 7.054 -2.502 6.363 1.00 0.00 C ATOM 771 CD GLU A 49 7.189 -3.623 7.395 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.741 -4.745 7.076 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.738 -3.332 8.480 1.00 0.00 O ATOM 0 H GLU A 49 3.613 -2.521 7.965 1.00 0.00 H new ATOM 0 HA GLU A 49 5.684 -0.543 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.051 -3.228 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.527 -1.927 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.632 -2.751 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.471 -1.579 6.766 1.00 0.00 H new ATOM 780 N VAL A 50 4.189 0.481 5.429 1.00 0.00 N ATOM 781 CA VAL A 50 3.224 1.278 4.690 1.00 0.00 C ATOM 782 C VAL A 50 3.825 1.675 3.340 1.00 0.00 C ATOM 783 O VAL A 50 5.038 1.837 3.220 1.00 0.00 O ATOM 784 CB VAL A 50 2.789 2.482 5.527 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.502 3.755 5.069 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.270 2.659 5.485 1.00 0.00 C ATOM 0 H VAL A 50 5.162 0.760 5.299 1.00 0.00 H new ATOM 0 HA VAL A 50 2.324 0.697 4.488 1.00 0.00 H new ATOM 0 HB VAL A 50 3.076 2.292 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.174 4.596 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.579 3.627 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.261 3.951 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.987 3.522 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.950 2.816 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.788 1.765 5.882 1.00 0.00 H new ATOM 796 N ALA A 51 2.948 1.819 2.357 1.00 0.00 N ATOM 797 CA ALA A 51 3.376 2.193 1.020 1.00 0.00 C ATOM 798 C ALA A 51 2.298 3.061 0.368 1.00 0.00 C ATOM 799 O ALA A 51 1.187 3.170 0.885 1.00 0.00 O ATOM 800 CB ALA A 51 3.680 0.932 0.209 1.00 0.00 C ATOM 0 H ALA A 51 1.942 1.683 2.460 1.00 0.00 H new ATOM 0 HA ALA A 51 4.292 2.782 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.001 1.213 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.473 0.367 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.783 0.316 0.144 1.00 0.00 H new ATOM 806 N THR A 52 2.663 3.654 -0.759 1.00 0.00 N ATOM 807 CA THR A 52 1.740 4.508 -1.488 1.00 0.00 C ATOM 808 C THR A 52 1.902 4.305 -2.995 1.00 0.00 C ATOM 809 O THR A 52 2.939 3.825 -3.453 1.00 0.00 O ATOM 810 CB THR A 52 1.978 5.952 -1.040 1.00 0.00 C ATOM 811 OG1 THR A 52 3.386 6.023 -0.832 1.00 0.00 O ATOM 812 CG2 THR A 52 1.382 6.243 0.339 1.00 0.00 C ATOM 0 H THR A 52 3.585 3.560 -1.185 1.00 0.00 H new ATOM 0 HA THR A 52 0.704 4.250 -1.267 1.00 0.00 H new ATOM 0 HB THR A 52 1.548 6.635 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.629 6.927 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.579 7.281 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.306 6.073 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.836 5.583 1.078 1.00 0.00 H new ATOM 820 N GLY A 53 0.863 4.680 -3.726 1.00 0.00 N ATOM 821 CA GLY A 53 0.877 4.545 -5.173 1.00 0.00 C ATOM 822 C GLY A 53 0.063 5.658 -5.836 1.00 0.00 C ATOM 823 O GLY A 53 -0.824 6.238 -5.212 1.00 0.00 O ATOM 0 H GLY A 53 0.005 5.078 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.905 4.577 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.469 3.574 -5.455 1.00 0.00 H new ATOM 827 N THR A 54 0.394 5.922 -7.091 1.00 0.00 N ATOM 828 CA THR A 54 -0.295 6.955 -7.845 1.00 0.00 C ATOM 829 C THR A 54 -0.620 6.459 -9.255 1.00 0.00 C ATOM 830 O THR A 54 -0.005 5.511 -9.741 1.00 0.00 O ATOM 831 CB THR A 54 0.576 8.213 -7.829 1.00 0.00 C ATOM 832 OG1 THR A 54 1.894 7.725 -8.062 1.00 0.00 O ATOM 833 CG2 THR A 54 0.656 8.852 -6.441 1.00 0.00 C ATOM 0 H THR A 54 1.130 5.438 -7.605 1.00 0.00 H new ATOM 0 HA THR A 54 -1.255 7.201 -7.392 1.00 0.00 H new ATOM 0 HB THR A 54 0.180 8.938 -8.540 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.524 8.475 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.286 9.741 -6.485 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.344 9.132 -6.111 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.084 8.139 -5.736 1.00 0.00 H new ATOM 841 N GLY A 55 -1.586 7.123 -9.874 1.00 0.00 N ATOM 842 CA GLY A 55 -2.000 6.761 -11.218 1.00 0.00 C ATOM 843 C GLY A 55 -3.075 7.718 -11.737 1.00 0.00 C ATOM 844 O GLY A 55 -3.378 8.723 -11.096 1.00 0.00 O ATOM 0 H GLY A 55 -2.093 7.910 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.138 6.780 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.384 5.741 -11.222 1.00 0.00 H new ATOM 848 N PRO A 56 -3.637 7.362 -12.923 1.00 0.00 N ATOM 849 CA PRO A 56 -4.672 8.178 -13.535 1.00 0.00 C ATOM 850 C PRO A 56 -6.008 8.004 -12.811 1.00 0.00 C ATOM 851 O PRO A 56 -6.882 8.866 -12.895 1.00 0.00 O ATOM 852 CB PRO A 56 -4.721 7.729 -14.987 1.00 0.00 C ATOM 853 CG PRO A 56 -4.045 6.368 -15.024 1.00 0.00 C ATOM 854 CD PRO A 56 -3.304 6.179 -13.710 1.00 0.00 C ATOM 0 HA PRO A 56 -4.459 9.245 -13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.750 7.664 -15.341 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.205 8.439 -15.633 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.784 5.579 -15.162 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.353 6.308 -15.864 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.620 5.266 -13.205 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.229 6.099 -13.870 1.00 0.00 H new ATOM 862 N ASN A 57 -6.125 6.883 -12.114 1.00 0.00 N ATOM 863 CA ASN A 57 -7.340 6.584 -11.375 1.00 0.00 C ATOM 864 C ASN A 57 -6.975 5.888 -10.062 1.00 0.00 C ATOM 865 O ASN A 57 -5.869 5.370 -9.917 1.00 0.00 O ATOM 866 CB ASN A 57 -8.252 5.647 -12.170 1.00 0.00 C ATOM 867 CG ASN A 57 -7.531 5.093 -13.400 1.00 0.00 C ATOM 868 OD1 ASN A 57 -7.249 5.798 -14.356 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.249 3.796 -13.324 1.00 0.00 N ATOM 0 H ASN A 57 -5.398 6.171 -12.045 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.862 7.523 -11.190 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.577 4.824 -11.534 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.149 6.184 -12.481 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.768 3.333 -14.095 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.513 3.264 -12.495 1.00 0.00 H new ATOM 876 N LYS A 58 -7.926 5.898 -9.140 1.00 0.00 N ATOM 877 CA LYS A 58 -7.719 5.274 -7.844 1.00 0.00 C ATOM 878 C LYS A 58 -7.236 3.836 -8.047 1.00 0.00 C ATOM 879 O LYS A 58 -6.250 3.418 -7.442 1.00 0.00 O ATOM 880 CB LYS A 58 -8.983 5.383 -6.989 1.00 0.00 C ATOM 881 CG LYS A 58 -8.669 5.129 -5.513 1.00 0.00 C ATOM 882 CD LYS A 58 -9.672 4.149 -4.900 1.00 0.00 C ATOM 883 CE LYS A 58 -10.551 4.844 -3.859 1.00 0.00 C ATOM 884 NZ LYS A 58 -11.686 3.975 -3.475 1.00 0.00 N ATOM 0 H LYS A 58 -8.842 6.328 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.940 5.797 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.421 6.374 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.725 4.663 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.659 4.730 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.694 6.071 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.298 3.725 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.138 3.320 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.958 5.088 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.926 5.785 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.272 4.462 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.261 3.764 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.323 3.088 -3.072 1.00 0.00 H new ATOM 898 N LYS A 59 -7.952 3.120 -8.900 1.00 0.00 N ATOM 899 CA LYS A 59 -7.609 1.738 -9.190 1.00 0.00 C ATOM 900 C LYS A 59 -6.089 1.609 -9.312 1.00 0.00 C ATOM 901 O LYS A 59 -5.429 1.117 -8.398 1.00 0.00 O ATOM 902 CB LYS A 59 -8.368 1.244 -10.423 1.00 0.00 C ATOM 903 CG LYS A 59 -9.793 0.822 -10.057 1.00 0.00 C ATOM 904 CD LYS A 59 -10.825 1.664 -10.809 1.00 0.00 C ATOM 905 CE LYS A 59 -11.667 2.494 -9.839 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.987 2.803 -10.432 1.00 0.00 N ATOM 0 H LYS A 59 -8.769 3.471 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.920 1.089 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.400 2.033 -11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.838 0.401 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.936 -0.232 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.943 0.930 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.318 2.324 -11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.474 1.013 -11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.800 1.948 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.145 3.420 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.546 3.367 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.855 3.343 -11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.489 1.917 -10.642 1.00 0.00 H new ATOM 920 N ILE A 60 -5.578 2.061 -10.448 1.00 0.00 N ATOM 921 CA ILE A 60 -4.148 2.002 -10.701 1.00 0.00 C ATOM 922 C ILE A 60 -3.395 2.497 -9.464 1.00 0.00 C ATOM 923 O ILE A 60 -2.482 1.829 -8.982 1.00 0.00 O ATOM 924 CB ILE A 60 -3.799 2.767 -11.979 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.497 2.151 -13.194 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.283 2.851 -12.171 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.103 2.880 -14.480 1.00 0.00 C ATOM 0 H ILE A 60 -6.128 2.470 -11.203 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.834 0.973 -10.876 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.168 3.788 -11.878 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.233 1.097 -13.274 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.578 2.200 -13.061 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.062 3.400 -13.087 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.837 3.368 -11.321 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.869 1.845 -12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.613 2.423 -15.328 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.390 3.929 -14.406 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.025 2.809 -14.623 1.00 0.00 H new ATOM 939 N ALA A 61 -3.807 3.662 -8.986 1.00 0.00 N ATOM 940 CA ALA A 61 -3.183 4.253 -7.815 1.00 0.00 C ATOM 941 C ALA A 61 -3.051 3.190 -6.722 1.00 0.00 C ATOM 942 O ALA A 61 -2.099 3.212 -5.942 1.00 0.00 O ATOM 943 CB ALA A 61 -4.000 5.462 -7.356 1.00 0.00 C ATOM 0 H ALA A 61 -4.565 4.212 -9.389 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.180 4.608 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.532 5.905 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.039 6.200 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.012 5.144 -7.106 1.00 0.00 H new ATOM 949 N LYS A 62 -4.019 2.286 -6.699 1.00 0.00 N ATOM 950 CA LYS A 62 -4.023 1.218 -5.715 1.00 0.00 C ATOM 951 C LYS A 62 -2.928 0.207 -6.061 1.00 0.00 C ATOM 952 O LYS A 62 -2.138 -0.178 -5.200 1.00 0.00 O ATOM 953 CB LYS A 62 -5.417 0.599 -5.601 1.00 0.00 C ATOM 954 CG LYS A 62 -5.503 -0.341 -4.397 1.00 0.00 C ATOM 955 CD LYS A 62 -5.971 -1.735 -4.821 1.00 0.00 C ATOM 956 CE LYS A 62 -7.464 -1.734 -5.155 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.668 -1.787 -6.620 1.00 0.00 N ATOM 0 H LYS A 62 -4.807 2.272 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.793 1.612 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.162 1.388 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.651 0.050 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.527 -0.412 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.193 0.069 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.401 -2.066 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.774 -2.448 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.949 -2.589 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.933 -0.838 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.637 -2.105 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.522 -0.840 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.989 -2.453 -7.041 1.00 0.00 H new ATOM 971 N LYS A 63 -2.914 -0.193 -7.324 1.00 0.00 N ATOM 972 CA LYS A 63 -1.929 -1.152 -7.795 1.00 0.00 C ATOM 973 C LYS A 63 -0.525 -0.608 -7.523 1.00 0.00 C ATOM 974 O LYS A 63 0.363 -1.352 -7.109 1.00 0.00 O ATOM 975 CB LYS A 63 -2.180 -1.500 -9.264 1.00 0.00 C ATOM 976 CG LYS A 63 -3.324 -2.506 -9.401 1.00 0.00 C ATOM 977 CD LYS A 63 -4.261 -2.118 -10.547 1.00 0.00 C ATOM 978 CE LYS A 63 -5.589 -1.579 -10.011 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.722 -2.364 -10.550 1.00 0.00 N ATOM 0 H LYS A 63 -3.569 0.130 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.019 -2.091 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.419 -0.594 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.272 -1.914 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.918 -3.502 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.885 -2.553 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.784 -1.363 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.446 -2.986 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.593 -1.624 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.701 -0.531 -10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.616 -1.985 -10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.726 -2.300 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.622 -3.359 -10.265 1.00 0.00 H new ATOM 993 N ASN A 64 -0.368 0.685 -7.767 1.00 0.00 N ATOM 994 CA ASN A 64 0.913 1.336 -7.554 1.00 0.00 C ATOM 995 C ASN A 64 1.293 1.233 -6.075 1.00 0.00 C ATOM 996 O ASN A 64 2.468 1.094 -5.741 1.00 0.00 O ATOM 997 CB ASN A 64 0.845 2.819 -7.922 1.00 0.00 C ATOM 998 CG ASN A 64 1.206 3.036 -9.393 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.237 3.596 -9.730 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.303 2.564 -10.247 1.00 0.00 N ATOM 0 H ASN A 64 -1.107 1.299 -8.110 1.00 0.00 H new ATOM 0 HA ASN A 64 1.652 0.841 -8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.158 3.199 -7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.527 3.386 -7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.452 2.660 -11.251 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.539 2.106 -9.898 1.00 0.00 H new ATOM 1007 N ALA A 65 0.276 1.305 -5.230 1.00 0.00 N ATOM 1008 CA ALA A 65 0.488 1.222 -3.795 1.00 0.00 C ATOM 1009 C ALA A 65 1.126 -0.126 -3.455 1.00 0.00 C ATOM 1010 O ALA A 65 2.128 -0.182 -2.744 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.841 1.438 -3.068 1.00 0.00 C ATOM 0 H ALA A 65 -0.698 1.420 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 65 1.171 2.003 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.681 1.376 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.238 2.422 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.552 0.671 -3.374 1.00 0.00 H new ATOM 1017 N ALA A 66 0.519 -1.181 -3.981 1.00 0.00 N ATOM 1018 CA ALA A 66 1.016 -2.526 -3.742 1.00 0.00 C ATOM 1019 C ALA A 66 2.464 -2.623 -4.225 1.00 0.00 C ATOM 1020 O ALA A 66 3.315 -3.183 -3.536 1.00 0.00 O ATOM 1021 CB ALA A 66 0.101 -3.538 -4.435 1.00 0.00 C ATOM 0 H ALA A 66 -0.311 -1.131 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 66 1.008 -2.755 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.473 -4.547 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.909 -3.448 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.087 -3.341 -5.507 1.00 0.00 H new ATOM 1027 N GLU A 67 2.700 -2.069 -5.405 1.00 0.00 N ATOM 1028 CA GLU A 67 4.030 -2.086 -5.988 1.00 0.00 C ATOM 1029 C GLU A 67 5.064 -1.609 -4.966 1.00 0.00 C ATOM 1030 O GLU A 67 5.913 -2.385 -4.529 1.00 0.00 O ATOM 1031 CB GLU A 67 4.084 -1.236 -7.259 1.00 0.00 C ATOM 1032 CG GLU A 67 5.076 -1.818 -8.267 1.00 0.00 C ATOM 1033 CD GLU A 67 4.868 -1.209 -9.655 1.00 0.00 C ATOM 1034 OE1 GLU A 67 3.734 -1.333 -10.166 1.00 0.00 O ATOM 1035 OE2 GLU A 67 5.848 -0.632 -10.174 1.00 0.00 O ATOM 0 H GLU A 67 1.991 -1.605 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 67 4.269 -3.112 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.092 -1.184 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.373 -0.216 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.095 -1.627 -7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.955 -2.900 -8.319 1.00 0.00 H new ATOM 1042 N ALA A 68 4.958 -0.337 -4.613 1.00 0.00 N ATOM 1043 CA ALA A 68 5.872 0.252 -3.651 1.00 0.00 C ATOM 1044 C ALA A 68 6.070 -0.716 -2.482 1.00 0.00 C ATOM 1045 O ALA A 68 7.184 -1.171 -2.230 1.00 0.00 O ATOM 1046 CB ALA A 68 5.332 1.610 -3.197 1.00 0.00 C ATOM 0 H ALA A 68 4.252 0.303 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 68 6.847 0.424 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.019 2.052 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.238 2.271 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.355 1.476 -2.734 1.00 0.00 H new ATOM 1052 N MET A 69 4.970 -1.002 -1.801 1.00 0.00 N ATOM 1053 CA MET A 69 5.008 -1.908 -0.665 1.00 0.00 C ATOM 1054 C MET A 69 5.955 -3.080 -0.930 1.00 0.00 C ATOM 1055 O MET A 69 6.838 -3.364 -0.123 1.00 0.00 O ATOM 1056 CB MET A 69 3.601 -2.440 -0.389 1.00 0.00 C ATOM 1057 CG MET A 69 3.655 -3.758 0.385 1.00 0.00 C ATOM 1058 SD MET A 69 2.471 -3.731 1.721 1.00 0.00 S ATOM 1059 CE MET A 69 3.130 -2.385 2.691 1.00 0.00 C ATOM 0 H MET A 69 4.047 -0.623 -2.014 1.00 0.00 H new ATOM 0 HA MET A 69 5.374 -1.359 0.202 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.035 -1.703 0.180 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.073 -2.589 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.441 -4.591 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.658 -3.916 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 69 2.312 -1.756 3.043 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.674 -2.785 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 69 3.806 -1.791 2.077 1.00 0.00 H new ATOM 1069 N LEU A 70 5.738 -3.729 -2.065 1.00 0.00 N ATOM 1070 CA LEU A 70 6.560 -4.864 -2.447 1.00 0.00 C ATOM 1071 C LEU A 70 8.000 -4.394 -2.668 1.00 0.00 C ATOM 1072 O LEU A 70 8.933 -4.949 -2.090 1.00 0.00 O ATOM 1073 CB LEU A 70 5.956 -5.582 -3.655 1.00 0.00 C ATOM 1074 CG LEU A 70 4.512 -6.063 -3.496 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.638 -5.563 -4.648 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.453 -7.585 -3.351 1.00 0.00 C ATOM 0 H LEU A 70 5.004 -3.490 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 70 6.584 -5.603 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.002 -4.910 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.581 -6.443 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 70 4.109 -5.637 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.617 -5.919 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.644 -4.473 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.030 -5.940 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.415 -7.900 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.881 -8.052 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.021 -7.889 -2.472 1.00 0.00 H new ATOM 1088 N LEU A 71 8.134 -3.376 -3.505 1.00 0.00 N ATOM 1089 CA LEU A 71 9.443 -2.825 -3.809 1.00 0.00 C ATOM 1090 C LEU A 71 10.202 -2.574 -2.505 1.00 0.00 C ATOM 1091 O LEU A 71 11.377 -2.916 -2.390 1.00 0.00 O ATOM 1092 CB LEU A 71 9.310 -1.583 -4.693 1.00 0.00 C ATOM 1093 CG LEU A 71 9.080 -1.841 -6.183 1.00 0.00 C ATOM 1094 CD1 LEU A 71 10.409 -1.928 -6.936 1.00 0.00 C ATOM 1095 CD2 LEU A 71 8.218 -3.087 -6.397 1.00 0.00 C ATOM 0 H LEU A 71 7.357 -2.918 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 71 10.031 -3.538 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.483 -0.981 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.215 -0.985 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 71 8.531 -0.994 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.217 -2.112 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.953 -0.990 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.005 -2.744 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.070 -3.248 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.718 -3.954 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.251 -2.948 -5.913 1.00 0.00 H new ATOM 1107 N GLN A 72 9.498 -1.977 -1.554 1.00 0.00 N ATOM 1108 CA GLN A 72 10.090 -1.675 -0.262 1.00 0.00 C ATOM 1109 C GLN A 72 10.360 -2.967 0.513 1.00 0.00 C ATOM 1110 O GLN A 72 11.449 -3.154 1.053 1.00 0.00 O ATOM 1111 CB GLN A 72 9.197 -0.730 0.543 1.00 0.00 C ATOM 1112 CG GLN A 72 8.650 -1.423 1.793 1.00 0.00 C ATOM 1113 CD GLN A 72 7.867 -0.441 2.667 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.425 0.367 3.392 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.546 -0.554 2.558 1.00 0.00 N ATOM 0 H GLN A 72 8.523 -1.694 -1.653 1.00 0.00 H new ATOM 0 HA GLN A 72 11.041 -1.169 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.765 0.154 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.370 -0.388 -0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.003 -2.250 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.473 -1.849 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.144 -1.252 1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.935 0.057 3.100 1.00 0.00 H new ATOM 1124 N LEU A 73 9.350 -3.824 0.542 1.00 0.00 N ATOM 1125 CA LEU A 73 9.465 -5.092 1.241 1.00 0.00 C ATOM 1126 C LEU A 73 10.805 -5.743 0.891 1.00 0.00 C ATOM 1127 O LEU A 73 11.601 -6.047 1.778 1.00 0.00 O ATOM 1128 CB LEU A 73 8.254 -5.979 0.944 1.00 0.00 C ATOM 1129 CG LEU A 73 7.222 -6.103 2.068 1.00 0.00 C ATOM 1130 CD1 LEU A 73 7.169 -4.825 2.907 1.00 0.00 C ATOM 1131 CD2 LEU A 73 5.848 -6.481 1.510 1.00 0.00 C ATOM 0 H LEU A 73 8.448 -3.665 0.093 1.00 0.00 H new ATOM 0 HA LEU A 73 9.459 -4.934 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.752 -5.590 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.612 -6.978 0.695 1.00 0.00 H new ATOM 0 HG LEU A 73 7.533 -6.910 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.428 -4.940 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.147 -4.640 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.894 -3.984 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.133 -6.563 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.515 -5.713 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.917 -7.437 0.991 1.00 0.00 H new ATOM 1143 N GLY A 74 11.011 -5.938 -0.403 1.00 0.00 N ATOM 1144 CA GLY A 74 12.241 -6.547 -0.881 1.00 0.00 C ATOM 1145 C GLY A 74 11.944 -7.768 -1.755 1.00 0.00 C ATOM 1146 O GLY A 74 12.667 -8.761 -1.706 1.00 0.00 O ATOM 0 H GLY A 74 10.347 -5.685 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.814 -5.817 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.858 -6.844 -0.033 1.00 0.00 H new ATOM 1150 N TYR A 75 10.879 -7.653 -2.534 1.00 0.00 N ATOM 1151 CA TYR A 75 10.478 -8.734 -3.418 1.00 0.00 C ATOM 1152 C TYR A 75 10.787 -8.394 -4.877 1.00 0.00 C ATOM 1153 O TYR A 75 10.910 -9.287 -5.714 1.00 0.00 O ATOM 1154 CB TYR A 75 8.964 -8.877 -3.249 1.00 0.00 C ATOM 1155 CG TYR A 75 8.538 -9.430 -1.888 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.629 -10.784 -1.635 1.00 0.00 C ATOM 1157 CD2 TYR A 75 8.063 -8.576 -0.914 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.229 -11.305 -0.353 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.663 -9.097 0.368 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.765 -10.436 0.585 1.00 0.00 C ATOM 1161 OH TYR A 75 7.387 -10.928 1.795 1.00 0.00 O ATOM 0 H TYR A 75 10.281 -6.827 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 75 11.015 -9.650 -3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.499 -7.902 -3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.582 -9.533 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.000 -11.452 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.991 -7.517 -1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.296 -12.362 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.291 -8.439 1.139 1.00 0.00 H new ATOM 0 HH TYR A 75 7.078 -10.193 2.365 1.00 0.00 H new