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 Set 1.1: A 14 GLN : amide:sc= 0 X(o=-0.13,f=-0.24) USER MOD Set 1.2: A 17 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.8) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.63! C(o=-3.6!,f=-9.4!) 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= -2.56! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -119:sc= -0.707 (180deg=-1.74!) USER MOD Single : A 43 GLN : amide:sc= -2.12 K(o=-2.1,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) 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= -6.32! C(o=-6.3!,f=-23!) 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+ 138:sc= -2.48! (180deg=-4.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 69 MET CE :methyl 139:sc= -2.36! (180deg=-5.6!) USER MOD Single : A 72 GLN : amide:sc= 0.146 K(o=0.15,f=-2.6) USER MOD Single : A 75 TYR OH : rot 171:sc= -1.85 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.904 -9.173 -10.740 1.00 0.00 N ATOM 60 CA GLY A 7 -0.793 -7.757 -10.436 1.00 0.00 C ATOM 61 C GLY A 7 -0.048 -7.536 -9.118 1.00 0.00 C ATOM 62 O GLY A 7 0.402 -8.491 -8.487 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.268 -7.248 -11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.788 -7.316 -10.374 1.00 0.00 H new ATOM 66 N PRO A 8 0.063 -6.237 -8.731 1.00 0.00 N ATOM 67 CA PRO A 8 0.746 -5.878 -7.500 1.00 0.00 C ATOM 68 C PRO A 8 -0.116 -6.204 -6.279 1.00 0.00 C ATOM 69 O PRO A 8 0.407 -6.520 -5.212 1.00 0.00 O ATOM 70 CB PRO A 8 1.047 -4.394 -7.636 1.00 0.00 C ATOM 71 CG PRO A 8 0.118 -3.877 -8.722 1.00 0.00 C ATOM 72 CD PRO A 8 -0.458 -5.079 -9.453 1.00 0.00 C ATOM 0 HA PRO A 8 1.664 -6.445 -7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.875 -3.873 -6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.091 -4.230 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.681 -3.276 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.661 -3.233 -9.414 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.548 -5.064 -9.443 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.149 -5.092 -10.498 1.00 0.00 H new ATOM 80 N ILE A 9 -1.423 -6.116 -6.478 1.00 0.00 N ATOM 81 CA ILE A 9 -2.363 -6.398 -5.406 1.00 0.00 C ATOM 82 C ILE A 9 -2.289 -7.883 -5.046 1.00 0.00 C ATOM 83 O ILE A 9 -1.743 -8.246 -4.005 1.00 0.00 O ATOM 84 CB ILE A 9 -3.768 -5.927 -5.788 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.746 -4.479 -6.281 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.747 -6.124 -4.629 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.129 -4.045 -6.771 1.00 0.00 C ATOM 0 H ILE A 9 -1.853 -5.854 -7.365 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.097 -5.839 -4.509 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.121 -6.543 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.419 -3.822 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.022 -4.377 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.738 -5.781 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.792 -7.181 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.409 -5.550 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.085 -3.012 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.442 -4.689 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.846 -4.125 -5.954 1.00 0.00 H new ATOM 99 N SER A 10 -2.846 -8.701 -5.926 1.00 0.00 N ATOM 100 CA SER A 10 -2.850 -10.139 -5.714 1.00 0.00 C ATOM 101 C SER A 10 -1.518 -10.581 -5.103 1.00 0.00 C ATOM 102 O SER A 10 -1.497 -11.343 -4.138 1.00 0.00 O ATOM 103 CB SER A 10 -3.109 -10.888 -7.022 1.00 0.00 C ATOM 104 OG SER A 10 -4.349 -11.589 -7.000 1.00 0.00 O ATOM 0 H SER A 10 -3.298 -8.396 -6.788 1.00 0.00 H new ATOM 0 HA SER A 10 -3.658 -10.381 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.107 -10.180 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.297 -11.593 -7.203 1.00 0.00 H new ATOM 0 HG SER A 10 -4.478 -12.053 -7.854 1.00 0.00 H new ATOM 110 N ARG A 11 -0.440 -10.084 -5.691 1.00 0.00 N ATOM 111 CA ARG A 11 0.892 -10.418 -5.217 1.00 0.00 C ATOM 112 C ARG A 11 1.047 -10.022 -3.748 1.00 0.00 C ATOM 113 O ARG A 11 1.534 -10.809 -2.937 1.00 0.00 O ATOM 114 CB ARG A 11 1.965 -9.709 -6.046 1.00 0.00 C ATOM 115 CG ARG A 11 3.341 -10.336 -5.811 1.00 0.00 C ATOM 116 CD ARG A 11 4.183 -10.304 -7.089 1.00 0.00 C ATOM 117 NE ARG A 11 5.594 -10.619 -6.773 1.00 0.00 N ATOM 118 CZ ARG A 11 6.508 -10.971 -7.688 1.00 0.00 C ATOM 119 NH1 ARG A 11 6.165 -11.053 -8.981 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.765 -11.239 -7.311 1.00 0.00 N ATOM 0 H ARG A 11 -0.462 -9.452 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 11 1.021 -11.495 -5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.710 -9.768 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.993 -8.652 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.859 -9.799 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.223 -11.366 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.794 -11.024 -7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.117 -9.320 -7.554 1.00 0.00 H new ATOM 0 HE ARG A 11 5.889 -10.565 -5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.208 -10.847 -9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.861 -11.321 -9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.027 -11.175 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.460 -11.507 -8.008 1.00 0.00 H new ATOM 134 N LEU A 12 0.625 -8.803 -3.448 1.00 0.00 N ATOM 135 CA LEU A 12 0.711 -8.293 -2.091 1.00 0.00 C ATOM 136 C LEU A 12 -0.214 -9.108 -1.185 1.00 0.00 C ATOM 137 O LEU A 12 0.201 -9.575 -0.125 1.00 0.00 O ATOM 138 CB LEU A 12 0.429 -6.790 -2.064 1.00 0.00 C ATOM 139 CG LEU A 12 1.144 -5.992 -0.971 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.389 -4.701 -0.651 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.368 -6.850 0.276 1.00 0.00 C ATOM 0 H LEU A 12 0.222 -8.153 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 12 1.723 -8.411 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.706 -6.371 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.645 -6.644 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 12 2.127 -5.705 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.919 -4.153 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.325 -4.085 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.616 -4.943 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.878 -6.259 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.407 -7.188 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.980 -7.715 0.018 1.00 0.00 H new ATOM 153 N ALA A 13 -1.452 -9.256 -1.635 1.00 0.00 N ATOM 154 CA ALA A 13 -2.439 -10.006 -0.879 1.00 0.00 C ATOM 155 C ALA A 13 -1.910 -11.418 -0.617 1.00 0.00 C ATOM 156 O ALA A 13 -2.012 -11.926 0.498 1.00 0.00 O ATOM 157 CB ALA A 13 -3.768 -10.013 -1.638 1.00 0.00 C ATOM 0 H ALA A 13 -1.793 -8.868 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.619 -9.536 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.508 -10.576 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.116 -8.989 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.628 -10.479 -2.613 1.00 0.00 H new ATOM 163 N GLN A 14 -1.356 -12.011 -1.665 1.00 0.00 N ATOM 164 CA GLN A 14 -0.811 -13.354 -1.563 1.00 0.00 C ATOM 165 C GLN A 14 0.304 -13.396 -0.515 1.00 0.00 C ATOM 166 O GLN A 14 0.528 -14.427 0.117 1.00 0.00 O ATOM 167 CB GLN A 14 -0.306 -13.845 -2.921 1.00 0.00 C ATOM 168 CG GLN A 14 -1.441 -14.470 -3.734 1.00 0.00 C ATOM 169 CD GLN A 14 -0.954 -15.705 -4.496 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.237 -16.837 -4.141 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.208 -15.424 -5.561 1.00 0.00 N ATOM 0 H GLN A 14 -1.273 -11.586 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.608 -14.026 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.127 -13.012 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.488 -14.578 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.259 -14.747 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.836 -13.737 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.009 -14.453 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.165 -16.179 -6.136 1.00 0.00 H new ATOM 180 N ILE A 15 0.973 -12.263 -0.364 1.00 0.00 N ATOM 181 CA ILE A 15 2.059 -12.157 0.596 1.00 0.00 C ATOM 182 C ILE A 15 1.477 -12.003 2.002 1.00 0.00 C ATOM 183 O ILE A 15 2.032 -12.524 2.968 1.00 0.00 O ATOM 184 CB ILE A 15 3.017 -11.031 0.200 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.718 -11.348 -1.123 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.015 -10.741 1.322 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.163 -10.065 -1.828 1.00 0.00 C ATOM 0 H ILE A 15 0.784 -11.410 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 15 2.658 -13.068 0.596 1.00 0.00 H new ATOM 0 HB ILE A 15 2.433 -10.124 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.583 -11.984 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.044 -11.908 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.684 -9.937 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.475 -10.441 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.598 -11.638 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.658 -10.318 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.292 -9.442 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.856 -9.519 -1.187 1.00 0.00 H new ATOM 199 N GLN A 16 0.366 -11.284 2.073 1.00 0.00 N ATOM 200 CA GLN A 16 -0.297 -11.055 3.345 1.00 0.00 C ATOM 201 C GLN A 16 -0.894 -12.360 3.876 1.00 0.00 C ATOM 202 O GLN A 16 -0.923 -12.588 5.084 1.00 0.00 O ATOM 203 CB GLN A 16 -1.371 -9.973 3.217 1.00 0.00 C ATOM 204 CG GLN A 16 -0.760 -8.645 2.764 1.00 0.00 C ATOM 205 CD GLN A 16 0.577 -8.391 3.462 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.576 -8.059 2.844 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.541 -8.564 4.780 1.00 0.00 N ATOM 0 H GLN A 16 -0.091 -10.853 1.270 1.00 0.00 H new ATOM 0 HA GLN A 16 0.445 -10.701 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.129 -10.291 2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.873 -9.838 4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.614 -8.657 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.449 -7.830 2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.329 -8.843 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.383 -8.418 5.337 1.00 0.00 H new ATOM 216 N GLN A 17 -1.357 -13.183 2.946 1.00 0.00 N ATOM 217 CA GLN A 17 -1.951 -14.459 3.304 1.00 0.00 C ATOM 218 C GLN A 17 -0.864 -15.520 3.481 1.00 0.00 C ATOM 219 O GLN A 17 -0.884 -16.279 4.449 1.00 0.00 O ATOM 220 CB GLN A 17 -2.980 -14.897 2.260 1.00 0.00 C ATOM 221 CG GLN A 17 -2.305 -15.630 1.099 1.00 0.00 C ATOM 222 CD GLN A 17 -3.328 -16.029 0.034 1.00 0.00 C ATOM 223 OE1 GLN A 17 -4.529 -15.994 0.245 1.00 0.00 O ATOM 224 NE2 GLN A 17 -2.787 -16.412 -1.120 1.00 0.00 N ATOM 0 H GLN A 17 -1.332 -12.990 1.945 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.473 -14.341 4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.720 -15.548 2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.514 -14.025 1.883 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.543 -14.990 0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.797 -16.519 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.773 -16.418 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.386 -16.699 -1.894 1.00 0.00 H new ATOM 233 N ALA A 18 0.060 -15.540 2.532 1.00 0.00 N ATOM 234 CA ALA A 18 1.154 -16.496 2.571 1.00 0.00 C ATOM 235 C ALA A 18 1.963 -16.286 3.852 1.00 0.00 C ATOM 236 O ALA A 18 2.513 -17.237 4.405 1.00 0.00 O ATOM 237 CB ALA A 18 2.008 -16.345 1.311 1.00 0.00 C ATOM 0 H ALA A 18 0.074 -14.909 1.731 1.00 0.00 H new ATOM 0 HA ALA A 18 0.772 -17.517 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.829 -17.062 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.393 -16.532 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.411 -15.333 1.264 1.00 0.00 H new ATOM 243 N ARG A 19 2.008 -15.036 4.288 1.00 0.00 N ATOM 244 CA ARG A 19 2.741 -14.690 5.494 1.00 0.00 C ATOM 245 C ARG A 19 1.923 -15.055 6.734 1.00 0.00 C ATOM 246 O ARG A 19 2.470 -15.170 7.830 1.00 0.00 O ATOM 247 CB ARG A 19 3.069 -13.196 5.529 1.00 0.00 C ATOM 248 CG ARG A 19 4.311 -12.887 4.691 1.00 0.00 C ATOM 249 CD ARG A 19 4.609 -11.386 4.684 1.00 0.00 C ATOM 250 NE ARG A 19 6.045 -11.154 4.960 1.00 0.00 N ATOM 251 CZ ARG A 19 6.570 -11.069 6.190 1.00 0.00 C ATOM 252 NH1 ARG A 19 5.781 -11.197 7.265 1.00 0.00 N ATOM 253 NH2 ARG A 19 7.884 -10.856 6.344 1.00 0.00 N ATOM 0 H ARG A 19 1.549 -14.250 3.828 1.00 0.00 H new ATOM 0 HA ARG A 19 3.673 -15.255 5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.220 -12.625 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.233 -12.880 6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.168 -13.430 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.161 -13.236 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.342 -10.958 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.000 -10.882 5.435 1.00 0.00 H new ATOM 0 HE ARG A 19 6.674 -11.052 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.781 -11.359 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.180 -11.132 8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.484 -10.759 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.284 -10.791 7.280 1.00 0.00 H new ATOM 267 N LYS A 20 0.627 -15.226 6.520 1.00 0.00 N ATOM 268 CA LYS A 20 -0.271 -15.576 7.607 1.00 0.00 C ATOM 269 C LYS A 20 -0.344 -14.412 8.597 1.00 0.00 C ATOM 270 O LYS A 20 -0.464 -14.624 9.803 1.00 0.00 O ATOM 271 CB LYS A 20 0.151 -16.901 8.246 1.00 0.00 C ATOM 272 CG LYS A 20 -0.289 -18.088 7.388 1.00 0.00 C ATOM 273 CD LYS A 20 -0.826 -19.226 8.259 1.00 0.00 C ATOM 274 CE LYS A 20 -0.984 -20.512 7.445 1.00 0.00 C ATOM 275 NZ LYS A 20 -2.348 -20.601 6.878 1.00 0.00 N ATOM 0 H LYS A 20 0.177 -15.129 5.610 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.281 -15.738 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.234 -16.920 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.287 -16.985 9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.059 -17.768 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.553 -18.445 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.147 -19.401 9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.788 -18.940 8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.248 -20.534 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.790 -21.377 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.439 -21.479 6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.045 -20.602 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.520 -19.785 6.257 1.00 0.00 H new ATOM 289 N GLU A 21 -0.270 -13.207 8.051 1.00 0.00 N ATOM 290 CA GLU A 21 -0.326 -12.009 8.871 1.00 0.00 C ATOM 291 C GLU A 21 -1.719 -11.380 8.797 1.00 0.00 C ATOM 292 O GLU A 21 -2.487 -11.449 9.755 1.00 0.00 O ATOM 293 CB GLU A 21 0.751 -11.007 8.452 1.00 0.00 C ATOM 294 CG GLU A 21 2.150 -11.602 8.624 1.00 0.00 C ATOM 295 CD GLU A 21 2.554 -11.635 10.100 1.00 0.00 C ATOM 296 OE1 GLU A 21 1.840 -12.313 10.869 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.569 -10.981 10.425 1.00 0.00 O ATOM 0 H GLU A 21 -0.172 -13.035 7.050 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.130 -12.291 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.600 -10.719 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.662 -10.100 9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.173 -12.612 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.872 -11.013 8.059 1.00 0.00 H new ATOM 304 N LYS A 22 -2.002 -10.781 7.650 1.00 0.00 N ATOM 305 CA LYS A 22 -3.289 -10.140 7.438 1.00 0.00 C ATOM 306 C LYS A 22 -3.239 -9.319 6.148 1.00 0.00 C ATOM 307 O LYS A 22 -2.283 -8.581 5.914 1.00 0.00 O ATOM 308 CB LYS A 22 -3.692 -9.326 8.669 1.00 0.00 C ATOM 309 CG LYS A 22 -4.959 -9.894 9.311 1.00 0.00 C ATOM 310 CD LYS A 22 -5.706 -8.815 10.097 1.00 0.00 C ATOM 311 CE LYS A 22 -6.622 -9.439 11.152 1.00 0.00 C ATOM 312 NZ LYS A 22 -5.869 -9.707 12.398 1.00 0.00 N ATOM 0 H LYS A 22 -1.362 -10.726 6.857 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.070 -10.889 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.879 -9.331 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.859 -8.287 8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.610 -10.303 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.697 -10.717 9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.990 -8.150 10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.296 -8.205 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.456 -8.769 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.047 -10.367 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.505 -10.130 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.088 -10.364 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.484 -8.815 12.770 1.00 0.00 H new ATOM 326 N GLU A 23 -4.281 -9.474 5.344 1.00 0.00 N ATOM 327 CA GLU A 23 -4.367 -8.756 4.084 1.00 0.00 C ATOM 328 C GLU A 23 -3.908 -7.308 4.265 1.00 0.00 C ATOM 329 O GLU A 23 -3.873 -6.800 5.385 1.00 0.00 O ATOM 330 CB GLU A 23 -5.787 -8.815 3.516 1.00 0.00 C ATOM 331 CG GLU A 23 -5.962 -10.027 2.600 1.00 0.00 C ATOM 332 CD GLU A 23 -7.179 -10.856 3.014 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.301 -10.323 2.878 1.00 0.00 O ATOM 334 OE2 GLU A 23 -6.960 -12.004 3.457 1.00 0.00 O ATOM 0 H GLU A 23 -5.073 -10.086 5.541 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.703 -9.239 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.507 -8.865 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.998 -7.901 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.078 -9.694 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.066 -10.647 2.636 1.00 0.00 H new ATOM 341 N PRO A 24 -3.558 -6.668 3.118 1.00 0.00 N ATOM 342 CA PRO A 24 -3.103 -5.288 3.139 1.00 0.00 C ATOM 343 C PRO A 24 -4.273 -4.328 3.359 1.00 0.00 C ATOM 344 O PRO A 24 -5.408 -4.632 2.993 1.00 0.00 O ATOM 345 CB PRO A 24 -2.408 -5.082 1.803 1.00 0.00 C ATOM 346 CG PRO A 24 -2.903 -6.200 0.899 1.00 0.00 C ATOM 347 CD PRO A 24 -3.587 -7.238 1.774 1.00 0.00 C ATOM 0 HA PRO A 24 -2.420 -5.083 3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.649 -4.105 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.325 -5.122 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.598 -5.810 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.071 -6.648 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.609 -7.422 1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.063 -8.193 1.738 1.00 0.00 H new ATOM 355 N ASP A 25 -3.958 -3.188 3.955 1.00 0.00 N ATOM 356 CA ASP A 25 -4.969 -2.181 4.227 1.00 0.00 C ATOM 357 C ASP A 25 -4.698 -0.945 3.367 1.00 0.00 C ATOM 358 O ASP A 25 -3.781 -0.176 3.651 1.00 0.00 O ATOM 359 CB ASP A 25 -4.937 -1.751 5.695 1.00 0.00 C ATOM 360 CG ASP A 25 -6.266 -1.892 6.440 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.246 -2.298 5.779 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.271 -1.591 7.653 1.00 0.00 O ATOM 0 H ASP A 25 -3.016 -2.939 4.257 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.943 -2.612 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.182 -2.342 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.618 -0.710 5.746 1.00 0.00 H new ATOM 367 N TYR A 26 -5.511 -0.793 2.332 1.00 0.00 N ATOM 368 CA TYR A 26 -5.370 0.336 1.429 1.00 0.00 C ATOM 369 C TYR A 26 -6.170 1.541 1.928 1.00 0.00 C ATOM 370 O TYR A 26 -7.302 1.393 2.385 1.00 0.00 O ATOM 371 CB TYR A 26 -5.946 -0.123 0.087 1.00 0.00 C ATOM 372 CG TYR A 26 -5.060 -1.120 -0.662 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.080 -0.663 -1.519 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.240 -2.476 -0.480 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.245 -1.601 -2.224 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.406 -3.415 -1.185 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.450 -2.931 -2.023 1.00 0.00 C ATOM 378 OH TYR A 26 -2.662 -3.817 -2.689 1.00 0.00 O ATOM 0 H TYR A 26 -6.270 -1.433 2.099 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.326 0.639 1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.922 -0.577 0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.107 0.750 -0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.939 0.398 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.007 -2.833 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.474 -1.257 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.537 -4.479 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.749 -4.704 -2.280 1.00 0.00 H new ATOM 388 N ILE A 27 -5.550 2.707 1.823 1.00 0.00 N ATOM 389 CA ILE A 27 -6.189 3.937 2.258 1.00 0.00 C ATOM 390 C ILE A 27 -6.008 5.009 1.182 1.00 0.00 C ATOM 391 O ILE A 27 -4.887 5.280 0.754 1.00 0.00 O ATOM 392 CB ILE A 27 -5.669 4.353 3.636 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.524 3.140 4.557 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.555 5.438 4.251 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.067 2.681 4.634 1.00 0.00 C ATOM 0 H ILE A 27 -4.611 2.826 1.443 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.262 3.787 2.380 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.675 4.782 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.883 3.392 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.147 2.324 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.164 5.716 5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.562 6.313 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.571 5.059 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.992 1.818 5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.719 2.407 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.450 3.491 5.024 1.00 0.00 H new ATOM 407 N LEU A 28 -7.127 5.590 0.777 1.00 0.00 N ATOM 408 CA LEU A 28 -7.106 6.627 -0.241 1.00 0.00 C ATOM 409 C LEU A 28 -6.635 7.941 0.385 1.00 0.00 C ATOM 410 O LEU A 28 -7.323 8.510 1.232 1.00 0.00 O ATOM 411 CB LEU A 28 -8.467 6.728 -0.932 1.00 0.00 C ATOM 412 CG LEU A 28 -8.493 7.496 -2.255 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.300 8.995 -2.023 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.464 6.931 -3.237 1.00 0.00 C ATOM 0 H LEU A 28 -8.055 5.363 1.135 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.394 6.375 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.836 5.718 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.167 7.204 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.476 7.364 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.323 9.517 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.100 9.371 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.339 9.167 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.503 7.495 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.466 7.012 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.689 5.883 -3.437 1.00 0.00 H new ATOM 426 N LEU A 29 -5.467 8.385 -0.055 1.00 0.00 N ATOM 427 CA LEU A 29 -4.897 9.621 0.452 1.00 0.00 C ATOM 428 C LEU A 29 -5.709 10.806 -0.074 1.00 0.00 C ATOM 429 O LEU A 29 -6.285 11.564 0.705 1.00 0.00 O ATOM 430 CB LEU A 29 -3.406 9.700 0.118 1.00 0.00 C ATOM 431 CG LEU A 29 -2.501 8.705 0.847 1.00 0.00 C ATOM 432 CD1 LEU A 29 -1.027 9.082 0.683 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.900 8.578 2.318 1.00 0.00 C ATOM 0 H LEU A 29 -4.900 7.910 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.958 9.651 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.286 9.551 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.057 10.708 0.341 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.635 7.724 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.406 8.359 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.767 9.080 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.857 10.076 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.241 7.865 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.813 9.550 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.930 8.229 2.387 1.00 0.00 H new ATOM 445 N SER A 30 -5.729 10.929 -1.393 1.00 0.00 N ATOM 446 CA SER A 30 -6.461 12.009 -2.033 1.00 0.00 C ATOM 447 C SER A 30 -6.497 11.792 -3.547 1.00 0.00 C ATOM 448 O SER A 30 -6.202 10.699 -4.028 1.00 0.00 O ATOM 449 CB SER A 30 -5.837 13.367 -1.706 1.00 0.00 C ATOM 450 OG SER A 30 -6.823 14.342 -1.375 1.00 0.00 O ATOM 0 H SER A 30 -5.250 10.299 -2.036 1.00 0.00 H new ATOM 0 HA SER A 30 -7.481 12.006 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.143 13.256 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.256 13.714 -2.560 1.00 0.00 H new ATOM 0 HG SER A 30 -6.385 15.194 -1.171 1.00 0.00 H new ATOM 456 N GLU A 31 -6.861 12.851 -4.256 1.00 0.00 N ATOM 457 CA GLU A 31 -6.939 12.790 -5.705 1.00 0.00 C ATOM 458 C GLU A 31 -6.968 14.201 -6.295 1.00 0.00 C ATOM 459 O GLU A 31 -7.916 14.952 -6.071 1.00 0.00 O ATOM 460 CB GLU A 31 -8.158 11.982 -6.155 1.00 0.00 C ATOM 461 CG GLU A 31 -9.438 12.517 -5.511 1.00 0.00 C ATOM 462 CD GLU A 31 -10.472 12.892 -6.575 1.00 0.00 C ATOM 463 OE1 GLU A 31 -10.094 13.654 -7.490 1.00 0.00 O ATOM 464 OE2 GLU A 31 -11.618 12.407 -6.449 1.00 0.00 O ATOM 0 H GLU A 31 -7.105 13.756 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.050 12.281 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.247 12.025 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.023 10.934 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.855 11.764 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.205 13.390 -4.901 1.00 0.00 H new ATOM 605 N GLU A 39 -4.519 12.596 -10.913 1.00 0.00 N ATOM 606 CA GLU A 39 -3.557 11.887 -10.087 1.00 0.00 C ATOM 607 C GLU A 39 -4.187 11.509 -8.744 1.00 0.00 C ATOM 608 O GLU A 39 -4.531 12.382 -7.949 1.00 0.00 O ATOM 609 CB GLU A 39 -2.290 12.721 -9.883 1.00 0.00 C ATOM 610 CG GLU A 39 -1.272 11.969 -9.024 1.00 0.00 C ATOM 611 CD GLU A 39 -0.255 12.933 -8.409 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.671 13.330 -9.149 1.00 0.00 O ATOM 613 OE2 GLU A 39 -0.428 13.252 -7.212 1.00 0.00 O ATOM 0 HA GLU A 39 -3.270 10.970 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.848 12.961 -10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.546 13.667 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.789 11.426 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.754 11.228 -9.633 1.00 0.00 H new ATOM 620 N PHE A 40 -4.318 10.208 -8.534 1.00 0.00 N ATOM 621 CA PHE A 40 -4.900 9.704 -7.301 1.00 0.00 C ATOM 622 C PHE A 40 -3.822 9.127 -6.382 1.00 0.00 C ATOM 623 O PHE A 40 -3.035 8.278 -6.798 1.00 0.00 O ATOM 624 CB PHE A 40 -5.872 8.589 -7.689 1.00 0.00 C ATOM 625 CG PHE A 40 -7.295 9.075 -7.973 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.579 9.698 -9.148 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.276 8.884 -7.050 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.900 10.149 -9.411 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.596 9.335 -7.313 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.880 9.958 -8.489 1.00 0.00 C ATOM 0 H PHE A 40 -4.031 9.487 -9.196 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.400 10.513 -6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.490 8.079 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.904 7.853 -6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.800 9.850 -9.881 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.050 8.389 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.126 10.644 -10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.375 9.184 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.884 10.301 -8.690 1.00 0.00 H new ATOM 640 N VAL A 41 -3.820 9.612 -5.149 1.00 0.00 N ATOM 641 CA VAL A 41 -2.851 9.155 -4.166 1.00 0.00 C ATOM 642 C VAL A 41 -3.455 8.005 -3.358 1.00 0.00 C ATOM 643 O VAL A 41 -4.497 8.166 -2.724 1.00 0.00 O ATOM 644 CB VAL A 41 -2.399 10.327 -3.293 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.268 9.905 -2.353 1.00 0.00 C ATOM 646 CG2 VAL A 41 -1.982 11.522 -4.152 1.00 0.00 C ATOM 0 H VAL A 41 -4.474 10.317 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.958 8.772 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.246 10.635 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.965 10.756 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.615 9.100 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.418 9.558 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.665 12.341 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.157 11.232 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.827 11.845 -4.760 1.00 0.00 H new ATOM 656 N MET A 42 -2.775 6.869 -3.406 1.00 0.00 N ATOM 657 CA MET A 42 -3.231 5.692 -2.686 1.00 0.00 C ATOM 658 C MET A 42 -2.193 5.243 -1.655 1.00 0.00 C ATOM 659 O MET A 42 -0.991 5.382 -1.878 1.00 0.00 O ATOM 660 CB MET A 42 -3.490 4.556 -3.677 1.00 0.00 C ATOM 661 CG MET A 42 -4.929 4.047 -3.563 1.00 0.00 C ATOM 662 SD MET A 42 -5.101 3.020 -2.113 1.00 0.00 S ATOM 663 CE MET A 42 -6.865 2.750 -2.132 1.00 0.00 C ATOM 0 H MET A 42 -1.911 6.739 -3.933 1.00 0.00 H new ATOM 0 HA MET A 42 -4.152 5.945 -2.160 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.303 4.905 -4.693 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.795 3.738 -3.488 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.618 4.890 -3.506 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.194 3.479 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.304 3.151 -1.219 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.301 3.253 -2.995 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.069 1.681 -2.194 1.00 0.00 H new ATOM 673 N GLN A 43 -2.695 4.715 -0.549 1.00 0.00 N ATOM 674 CA GLN A 43 -1.827 4.245 0.517 1.00 0.00 C ATOM 675 C GLN A 43 -2.081 2.762 0.794 1.00 0.00 C ATOM 676 O GLN A 43 -3.174 2.258 0.541 1.00 0.00 O ATOM 677 CB GLN A 43 -2.014 5.080 1.786 1.00 0.00 C ATOM 678 CG GLN A 43 -0.755 5.049 2.654 1.00 0.00 C ATOM 679 CD GLN A 43 -0.858 6.052 3.805 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.115 7.016 3.890 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.817 5.772 4.683 1.00 0.00 N ATOM 0 H GLN A 43 -3.692 4.602 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.793 4.362 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.249 6.110 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.862 4.698 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.609 4.045 3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.118 5.279 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.404 4.948 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.966 6.381 5.487 1.00 0.00 H new ATOM 690 N VAL A 44 -1.053 2.105 1.311 1.00 0.00 N ATOM 691 CA VAL A 44 -1.151 0.690 1.625 1.00 0.00 C ATOM 692 C VAL A 44 -0.444 0.417 2.954 1.00 0.00 C ATOM 693 O VAL A 44 0.678 0.872 3.170 1.00 0.00 O ATOM 694 CB VAL A 44 -0.593 -0.143 0.469 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.908 0.097 0.295 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.891 -1.630 0.671 1.00 0.00 C ATOM 0 H VAL A 44 -0.148 2.527 1.520 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.194 0.397 1.745 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.092 0.177 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.279 -0.507 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.086 1.151 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.430 -0.182 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.484 -2.199 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.433 -1.970 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.969 -1.781 0.722 1.00 0.00 H new ATOM 706 N LYS A 45 -1.130 -0.326 3.811 1.00 0.00 N ATOM 707 CA LYS A 45 -0.581 -0.665 5.113 1.00 0.00 C ATOM 708 C LYS A 45 -0.485 -2.187 5.241 1.00 0.00 C ATOM 709 O LYS A 45 -1.491 -2.887 5.131 1.00 0.00 O ATOM 710 CB LYS A 45 -1.398 -0.005 6.227 1.00 0.00 C ATOM 711 CG LYS A 45 -0.498 0.410 7.393 1.00 0.00 C ATOM 712 CD LYS A 45 -1.329 0.934 8.566 1.00 0.00 C ATOM 713 CE LYS A 45 -0.513 1.899 9.428 1.00 0.00 C ATOM 714 NZ LYS A 45 -1.383 2.957 9.988 1.00 0.00 N ATOM 0 H LYS A 45 -2.060 -0.702 3.629 1.00 0.00 H new ATOM 0 HA LYS A 45 0.430 -0.272 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.916 0.869 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.163 -0.697 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.099 -0.442 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.199 1.181 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.218 1.440 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.672 0.098 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.029 1.352 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.279 2.350 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.813 3.603 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.825 3.490 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.123 2.523 10.576 1.00 0.00 H new ATOM 728 N VAL A 46 0.733 -2.654 5.470 1.00 0.00 N ATOM 729 CA VAL A 46 0.974 -4.079 5.613 1.00 0.00 C ATOM 730 C VAL A 46 1.792 -4.329 6.881 1.00 0.00 C ATOM 731 O VAL A 46 2.973 -3.989 6.940 1.00 0.00 O ATOM 732 CB VAL A 46 1.645 -4.626 4.351 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.486 -5.864 4.670 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.609 -4.932 3.268 1.00 0.00 C ATOM 0 H VAL A 46 1.564 -2.070 5.560 1.00 0.00 H new ATOM 0 HA VAL A 46 0.032 -4.616 5.723 1.00 0.00 H new ATOM 0 HB VAL A 46 2.314 -3.856 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.952 -6.233 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.260 -5.602 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.846 -6.640 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.112 -5.319 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.096 -5.676 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.072 -4.019 3.010 1.00 0.00 H new ATOM 744 N GLY A 47 1.133 -4.922 7.866 1.00 0.00 N ATOM 745 CA GLY A 47 1.784 -5.221 9.129 1.00 0.00 C ATOM 746 C GLY A 47 2.339 -3.950 9.775 1.00 0.00 C ATOM 747 O GLY A 47 1.580 -3.120 10.274 1.00 0.00 O ATOM 0 H GLY A 47 0.154 -5.203 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.073 -5.696 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.593 -5.933 8.966 1.00 0.00 H new ATOM 751 N ASN A 48 3.659 -3.837 9.744 1.00 0.00 N ATOM 752 CA ASN A 48 4.324 -2.680 10.320 1.00 0.00 C ATOM 753 C ASN A 48 4.995 -1.876 9.205 1.00 0.00 C ATOM 754 O ASN A 48 5.980 -1.178 9.444 1.00 0.00 O ATOM 755 CB ASN A 48 5.408 -3.106 11.313 1.00 0.00 C ATOM 756 CG ASN A 48 4.819 -3.973 12.428 1.00 0.00 C ATOM 757 OD1 ASN A 48 4.890 -5.191 12.406 1.00 0.00 O ATOM 758 ND2 ASN A 48 4.236 -3.280 13.402 1.00 0.00 N ATOM 0 H ASN A 48 4.285 -4.527 9.329 1.00 0.00 H new ATOM 0 HA ASN A 48 3.574 -2.083 10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.188 -3.660 10.790 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.879 -2.223 11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.814 -3.767 14.192 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.211 -2.261 13.359 1.00 0.00 H new ATOM 765 N GLU A 49 4.435 -1.999 8.011 1.00 0.00 N ATOM 766 CA GLU A 49 4.966 -1.292 6.858 1.00 0.00 C ATOM 767 C GLU A 49 3.847 -0.545 6.131 1.00 0.00 C ATOM 768 O GLU A 49 2.675 -0.898 6.258 1.00 0.00 O ATOM 769 CB GLU A 49 5.690 -2.251 5.912 1.00 0.00 C ATOM 770 CG GLU A 49 7.143 -2.456 6.344 1.00 0.00 C ATOM 771 CD GLU A 49 7.261 -3.613 7.338 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.674 -4.677 7.044 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.937 -3.408 8.370 1.00 0.00 O ATOM 0 H GLU A 49 3.618 -2.578 7.817 1.00 0.00 H new ATOM 0 HA GLU A 49 5.695 -0.561 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.173 -3.210 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.661 -1.856 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.761 -2.659 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.524 -1.541 6.798 1.00 0.00 H new ATOM 780 N VAL A 50 4.246 0.474 5.384 1.00 0.00 N ATOM 781 CA VAL A 50 3.291 1.274 4.636 1.00 0.00 C ATOM 782 C VAL A 50 3.893 1.642 3.279 1.00 0.00 C ATOM 783 O VAL A 50 5.112 1.693 3.130 1.00 0.00 O ATOM 784 CB VAL A 50 2.875 2.496 5.458 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.624 3.748 4.995 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.361 2.709 5.396 1.00 0.00 C ATOM 0 H VAL A 50 5.218 0.764 5.281 1.00 0.00 H new ATOM 0 HA VAL A 50 2.382 0.704 4.444 1.00 0.00 H new ATOM 0 HB VAL A 50 3.145 2.309 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.310 4.602 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.697 3.595 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.399 3.939 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.092 3.584 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.058 2.865 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.853 1.831 5.795 1.00 0.00 H new ATOM 796 N ALA A 51 3.009 1.891 2.323 1.00 0.00 N ATOM 797 CA ALA A 51 3.438 2.253 0.983 1.00 0.00 C ATOM 798 C ALA A 51 2.383 3.158 0.342 1.00 0.00 C ATOM 799 O ALA A 51 1.306 3.356 0.902 1.00 0.00 O ATOM 800 CB ALA A 51 3.691 0.984 0.167 1.00 0.00 C ATOM 0 H ALA A 51 1.998 1.849 2.450 1.00 0.00 H new ATOM 0 HA ALA A 51 4.374 2.810 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.013 1.256 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.468 0.391 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.773 0.400 0.108 1.00 0.00 H new ATOM 806 N THR A 52 2.730 3.683 -0.824 1.00 0.00 N ATOM 807 CA THR A 52 1.827 4.562 -1.547 1.00 0.00 C ATOM 808 C THR A 52 1.893 4.276 -3.048 1.00 0.00 C ATOM 809 O THR A 52 2.876 3.719 -3.535 1.00 0.00 O ATOM 810 CB THR A 52 2.184 6.006 -1.187 1.00 0.00 C ATOM 811 OG1 THR A 52 3.607 6.006 -1.122 1.00 0.00 O ATOM 812 CG2 THR A 52 1.745 6.382 0.229 1.00 0.00 C ATOM 0 H THR A 52 3.624 3.516 -1.286 1.00 0.00 H new ATOM 0 HA THR A 52 0.790 4.387 -1.260 1.00 0.00 H new ATOM 0 HB THR A 52 1.719 6.684 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.924 6.905 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.022 7.416 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.664 6.272 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.235 5.726 0.948 1.00 0.00 H new ATOM 820 N GLY A 53 0.834 4.669 -3.740 1.00 0.00 N ATOM 821 CA GLY A 53 0.759 4.462 -5.177 1.00 0.00 C ATOM 822 C GLY A 53 -0.008 5.599 -5.855 1.00 0.00 C ATOM 823 O GLY A 53 -0.950 6.145 -5.283 1.00 0.00 O ATOM 0 H GLY A 53 0.020 5.130 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.765 4.399 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.268 3.512 -5.386 1.00 0.00 H new ATOM 827 N THR A 54 0.424 5.921 -7.066 1.00 0.00 N ATOM 828 CA THR A 54 -0.210 6.983 -7.829 1.00 0.00 C ATOM 829 C THR A 54 -0.493 6.517 -9.258 1.00 0.00 C ATOM 830 O THR A 54 0.196 5.640 -9.777 1.00 0.00 O ATOM 831 CB THR A 54 0.690 8.218 -7.759 1.00 0.00 C ATOM 832 OG1 THR A 54 1.925 7.779 -8.320 1.00 0.00 O ATOM 833 CG2 THR A 54 1.049 8.600 -6.322 1.00 0.00 C ATOM 0 H THR A 54 1.205 5.465 -7.537 1.00 0.00 H new ATOM 0 HA THR A 54 -1.181 7.247 -7.409 1.00 0.00 H new ATOM 0 HB THR A 54 0.193 9.058 -8.244 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.568 8.519 -8.316 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.689 9.482 -6.329 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.138 8.817 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.577 7.773 -5.847 1.00 0.00 H new ATOM 841 N GLY A 55 -1.508 7.124 -9.855 1.00 0.00 N ATOM 842 CA GLY A 55 -1.890 6.782 -11.214 1.00 0.00 C ATOM 843 C GLY A 55 -2.939 7.759 -11.751 1.00 0.00 C ATOM 844 O GLY A 55 -3.189 8.801 -11.147 1.00 0.00 O ATOM 0 H GLY A 55 -2.078 7.851 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.010 6.797 -11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.286 5.767 -11.240 1.00 0.00 H new ATOM 848 N PRO A 56 -3.541 7.377 -12.909 1.00 0.00 N ATOM 849 CA PRO A 56 -4.557 8.207 -13.534 1.00 0.00 C ATOM 850 C PRO A 56 -5.882 8.115 -12.775 1.00 0.00 C ATOM 851 O PRO A 56 -6.694 9.038 -12.822 1.00 0.00 O ATOM 852 CB PRO A 56 -4.655 7.699 -14.963 1.00 0.00 C ATOM 853 CG PRO A 56 -4.032 6.313 -14.957 1.00 0.00 C ATOM 854 CD PRO A 56 -3.270 6.149 -13.652 1.00 0.00 C ATOM 0 HA PRO A 56 -4.303 9.267 -13.519 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.693 7.659 -15.293 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.128 8.361 -15.650 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.803 5.548 -15.047 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.362 6.192 -15.808 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.609 5.271 -13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.202 6.021 -13.830 1.00 0.00 H new ATOM 862 N ASN A 57 -6.061 6.993 -12.093 1.00 0.00 N ATOM 863 CA ASN A 57 -7.273 6.769 -11.325 1.00 0.00 C ATOM 864 C ASN A 57 -6.915 6.092 -10.000 1.00 0.00 C ATOM 865 O ASN A 57 -5.788 5.634 -9.818 1.00 0.00 O ATOM 866 CB ASN A 57 -8.240 5.853 -12.078 1.00 0.00 C ATOM 867 CG ASN A 57 -7.689 4.428 -12.168 1.00 0.00 C ATOM 868 OD1 ASN A 57 -7.281 3.830 -11.186 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.699 3.921 -13.397 1.00 0.00 N ATOM 0 H ASN A 57 -5.386 6.229 -12.057 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.749 7.735 -11.156 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.205 5.842 -11.571 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.411 6.245 -13.081 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.351 2.977 -13.562 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.055 4.476 -14.175 1.00 0.00 H new ATOM 876 N LYS A 58 -7.896 6.050 -9.110 1.00 0.00 N ATOM 877 CA LYS A 58 -7.698 5.436 -7.808 1.00 0.00 C ATOM 878 C LYS A 58 -7.248 3.986 -7.995 1.00 0.00 C ATOM 879 O LYS A 58 -6.247 3.564 -7.416 1.00 0.00 O ATOM 880 CB LYS A 58 -8.957 5.583 -6.950 1.00 0.00 C ATOM 881 CG LYS A 58 -8.788 4.878 -5.603 1.00 0.00 C ATOM 882 CD LYS A 58 -9.966 3.944 -5.321 1.00 0.00 C ATOM 883 CE LYS A 58 -10.906 4.546 -4.276 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.316 4.406 -4.704 1.00 0.00 N ATOM 0 H LYS A 58 -8.829 6.431 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.905 5.948 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.169 6.640 -6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.813 5.164 -7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.859 4.308 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.709 5.619 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.515 3.757 -6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.595 2.981 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.760 4.048 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.668 5.599 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.940 4.820 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.455 4.901 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.544 3.398 -4.822 1.00 0.00 H new ATOM 898 N LYS A 59 -8.007 3.264 -8.805 1.00 0.00 N ATOM 899 CA LYS A 59 -7.698 1.870 -9.075 1.00 0.00 C ATOM 900 C LYS A 59 -6.185 1.708 -9.227 1.00 0.00 C ATOM 901 O LYS A 59 -5.516 1.212 -8.322 1.00 0.00 O ATOM 902 CB LYS A 59 -8.494 1.369 -10.282 1.00 0.00 C ATOM 903 CG LYS A 59 -9.807 0.719 -9.841 1.00 0.00 C ATOM 904 CD LYS A 59 -10.868 0.825 -10.939 1.00 0.00 C ATOM 905 CE LYS A 59 -11.864 1.945 -10.632 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.845 2.081 -11.732 1.00 0.00 N ATOM 0 H LYS A 59 -8.835 3.618 -9.283 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.004 1.243 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.704 2.201 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.898 0.649 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.634 -0.329 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.169 1.202 -8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.386 1.015 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.398 -0.123 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.383 1.732 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.331 2.886 -10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.514 2.845 -11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.346 2.306 -12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.365 1.188 -11.845 1.00 0.00 H new ATOM 920 N ILE A 60 -5.688 2.135 -10.379 1.00 0.00 N ATOM 921 CA ILE A 60 -4.266 2.044 -10.661 1.00 0.00 C ATOM 922 C ILE A 60 -3.476 2.497 -9.431 1.00 0.00 C ATOM 923 O ILE A 60 -2.628 1.761 -8.928 1.00 0.00 O ATOM 924 CB ILE A 60 -3.921 2.820 -11.933 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.432 2.090 -13.177 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.420 3.104 -12.012 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.572 3.051 -14.359 1.00 0.00 C ATOM 0 H ILE A 60 -6.246 2.545 -11.128 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.983 1.010 -10.859 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.430 3.783 -11.893 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.745 1.285 -13.438 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.396 1.629 -12.962 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.202 3.657 -12.926 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.116 3.696 -11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.871 2.162 -12.018 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.937 2.506 -15.230 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.278 3.841 -14.104 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.601 3.491 -14.587 1.00 0.00 H new ATOM 939 N ALA A 61 -3.783 3.705 -8.983 1.00 0.00 N ATOM 940 CA ALA A 61 -3.112 4.265 -7.821 1.00 0.00 C ATOM 941 C ALA A 61 -2.994 3.190 -6.739 1.00 0.00 C ATOM 942 O ALA A 61 -2.021 3.166 -5.987 1.00 0.00 O ATOM 943 CB ALA A 61 -3.876 5.499 -7.336 1.00 0.00 C ATOM 0 H ALA A 61 -4.487 4.312 -9.403 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.103 4.586 -8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.373 5.919 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.907 6.244 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.893 5.214 -7.066 1.00 0.00 H new ATOM 949 N LYS A 62 -3.998 2.326 -6.695 1.00 0.00 N ATOM 950 CA LYS A 62 -4.019 1.252 -5.717 1.00 0.00 C ATOM 951 C LYS A 62 -2.955 0.215 -6.083 1.00 0.00 C ATOM 952 O LYS A 62 -2.186 -0.220 -5.227 1.00 0.00 O ATOM 953 CB LYS A 62 -5.428 0.669 -5.592 1.00 0.00 C ATOM 954 CG LYS A 62 -5.566 -0.161 -4.313 1.00 0.00 C ATOM 955 CD LYS A 62 -5.791 -1.638 -4.640 1.00 0.00 C ATOM 956 CE LYS A 62 -7.217 -1.878 -5.141 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.335 -1.499 -6.567 1.00 0.00 N ATOM 0 H LYS A 62 -4.803 2.348 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.767 1.633 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.160 1.476 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.646 0.046 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.667 -0.052 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.399 0.215 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.077 -1.959 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.607 -2.243 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.482 -2.928 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.921 -1.298 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.901 -2.212 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.800 -0.572 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.387 -1.447 -6.992 1.00 0.00 H new ATOM 971 N LYS A 63 -2.944 -0.151 -7.356 1.00 0.00 N ATOM 972 CA LYS A 63 -1.987 -1.129 -7.846 1.00 0.00 C ATOM 973 C LYS A 63 -0.567 -0.629 -7.570 1.00 0.00 C ATOM 974 O LYS A 63 0.283 -1.388 -7.108 1.00 0.00 O ATOM 975 CB LYS A 63 -2.252 -1.448 -9.319 1.00 0.00 C ATOM 976 CG LYS A 63 -3.246 -2.602 -9.460 1.00 0.00 C ATOM 977 CD LYS A 63 -4.359 -2.250 -10.449 1.00 0.00 C ATOM 978 CE LYS A 63 -5.473 -1.457 -9.763 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.800 -1.951 -10.192 1.00 0.00 N ATOM 0 H LYS A 63 -3.583 0.212 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.102 -2.074 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.643 -0.563 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.316 -1.708 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.724 -3.497 -9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.679 -2.834 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.947 -1.667 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.770 -3.163 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.378 -1.546 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.377 -0.399 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.545 -1.402 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.894 -1.843 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.895 -2.955 -9.939 1.00 0.00 H new ATOM 993 N ASN A 64 -0.355 0.645 -7.867 1.00 0.00 N ATOM 994 CA ASN A 64 0.946 1.255 -7.657 1.00 0.00 C ATOM 995 C ASN A 64 1.299 1.197 -6.170 1.00 0.00 C ATOM 996 O ASN A 64 2.473 1.134 -5.808 1.00 0.00 O ATOM 997 CB ASN A 64 0.941 2.725 -8.084 1.00 0.00 C ATOM 998 CG ASN A 64 1.506 2.887 -9.497 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.683 3.139 -9.697 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.604 2.730 -10.461 1.00 0.00 N ATOM 0 H ASN A 64 -1.063 1.271 -8.251 1.00 0.00 H new ATOM 0 HA ASN A 64 1.674 0.708 -8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.076 3.114 -8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.532 3.313 -7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.881 2.819 -11.438 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.365 2.520 -10.223 1.00 0.00 H new ATOM 1007 N ALA A 65 0.260 1.219 -5.347 1.00 0.00 N ATOM 1008 CA ALA A 65 0.446 1.169 -3.907 1.00 0.00 C ATOM 1009 C ALA A 65 1.079 -0.170 -3.524 1.00 0.00 C ATOM 1010 O ALA A 65 2.120 -0.204 -2.869 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.898 1.398 -3.211 1.00 0.00 C ATOM 0 H ALA A 65 -0.713 1.271 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 65 1.123 1.959 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.759 1.361 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.292 2.375 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.601 0.622 -3.514 1.00 0.00 H new ATOM 1017 N ALA A 66 0.425 -1.241 -3.950 1.00 0.00 N ATOM 1018 CA ALA A 66 0.912 -2.579 -3.660 1.00 0.00 C ATOM 1019 C ALA A 66 2.337 -2.725 -4.196 1.00 0.00 C ATOM 1020 O ALA A 66 3.196 -3.309 -3.535 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.045 -3.611 -4.260 1.00 0.00 C ATOM 0 H ALA A 66 -0.438 -1.209 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 66 0.945 -2.751 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.320 -4.615 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.037 -3.483 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.101 -3.471 -5.340 1.00 0.00 H new ATOM 1027 N GLU A 67 2.546 -2.186 -5.388 1.00 0.00 N ATOM 1028 CA GLU A 67 3.853 -2.250 -6.019 1.00 0.00 C ATOM 1029 C GLU A 67 4.934 -1.757 -5.054 1.00 0.00 C ATOM 1030 O GLU A 67 5.853 -2.500 -4.715 1.00 0.00 O ATOM 1031 CB GLU A 67 3.873 -1.446 -7.321 1.00 0.00 C ATOM 1032 CG GLU A 67 4.860 -2.048 -8.322 1.00 0.00 C ATOM 1033 CD GLU A 67 4.678 -1.430 -9.710 1.00 0.00 C ATOM 1034 OE1 GLU A 67 3.596 -1.654 -10.294 1.00 0.00 O ATOM 1035 OE2 GLU A 67 5.626 -0.748 -10.157 1.00 0.00 O ATOM 0 H GLU A 67 1.832 -1.703 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 67 4.063 -3.290 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.874 -1.427 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.148 -0.413 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.880 -1.882 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.714 -3.127 -8.378 1.00 0.00 H new ATOM 1042 N ALA A 68 4.786 -0.508 -4.639 1.00 0.00 N ATOM 1043 CA ALA A 68 5.738 0.092 -3.720 1.00 0.00 C ATOM 1044 C ALA A 68 5.945 -0.841 -2.525 1.00 0.00 C ATOM 1045 O ALA A 68 7.079 -1.149 -2.163 1.00 0.00 O ATOM 1046 CB ALA A 68 5.239 1.476 -3.299 1.00 0.00 C ATOM 0 H ALA A 68 4.021 0.105 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 68 6.705 0.227 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.953 1.926 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.137 2.109 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.271 1.380 -2.807 1.00 0.00 H new ATOM 1052 N MET A 69 4.831 -1.265 -1.947 1.00 0.00 N ATOM 1053 CA MET A 69 4.876 -2.157 -0.800 1.00 0.00 C ATOM 1054 C MET A 69 5.773 -3.365 -1.080 1.00 0.00 C ATOM 1055 O MET A 69 6.638 -3.700 -0.272 1.00 0.00 O ATOM 1056 CB MET A 69 3.461 -2.638 -0.472 1.00 0.00 C ATOM 1057 CG MET A 69 3.485 -3.695 0.634 1.00 0.00 C ATOM 1058 SD MET A 69 4.508 -3.140 1.988 1.00 0.00 S ATOM 1059 CE MET A 69 3.365 -2.045 2.812 1.00 0.00 C ATOM 0 H MET A 69 3.892 -1.008 -2.251 1.00 0.00 H new ATOM 0 HA MET A 69 5.289 -1.609 0.047 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.849 -1.792 -0.159 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.997 -3.053 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.472 -3.886 0.988 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.868 -4.636 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.451 -2.175 3.891 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.598 -1.013 2.551 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.347 -2.278 2.498 1.00 0.00 H new ATOM 1069 N LEU A 70 5.537 -3.984 -2.227 1.00 0.00 N ATOM 1070 CA LEU A 70 6.313 -5.147 -2.624 1.00 0.00 C ATOM 1071 C LEU A 70 7.777 -4.739 -2.808 1.00 0.00 C ATOM 1072 O LEU A 70 8.683 -5.489 -2.450 1.00 0.00 O ATOM 1073 CB LEU A 70 5.698 -5.805 -3.860 1.00 0.00 C ATOM 1074 CG LEU A 70 4.209 -6.143 -3.769 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.541 -6.052 -5.142 1.00 0.00 C ATOM 1076 CD2 LEU A 70 3.995 -7.511 -3.118 1.00 0.00 C ATOM 0 H LEU A 70 4.819 -3.702 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 70 6.289 -5.906 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.848 -5.143 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.247 -6.723 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 70 3.730 -5.403 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.483 -6.297 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.646 -5.039 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.017 -6.755 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.928 -7.726 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.491 -8.278 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.413 -7.504 -2.112 1.00 0.00 H new ATOM 1088 N LEU A 71 7.961 -3.552 -3.366 1.00 0.00 N ATOM 1089 CA LEU A 71 9.299 -3.036 -3.603 1.00 0.00 C ATOM 1090 C LEU A 71 10.006 -2.832 -2.261 1.00 0.00 C ATOM 1091 O LEU A 71 11.192 -3.131 -2.129 1.00 0.00 O ATOM 1092 CB LEU A 71 9.241 -1.774 -4.466 1.00 0.00 C ATOM 1093 CG LEU A 71 9.499 -1.972 -5.961 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.533 -1.133 -6.800 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.961 -1.681 -6.308 1.00 0.00 C ATOM 0 H LEU A 71 7.206 -2.932 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 71 9.891 -3.755 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.258 -1.319 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.971 -1.062 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 71 9.312 -3.018 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.738 -1.292 -7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.508 -1.430 -6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.664 -0.078 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.118 -1.829 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.199 -0.650 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.609 -2.356 -5.749 1.00 0.00 H new ATOM 1107 N GLN A 72 9.248 -2.323 -1.300 1.00 0.00 N ATOM 1108 CA GLN A 72 9.788 -2.075 0.026 1.00 0.00 C ATOM 1109 C GLN A 72 9.980 -3.395 0.776 1.00 0.00 C ATOM 1110 O GLN A 72 10.972 -3.573 1.482 1.00 0.00 O ATOM 1111 CB GLN A 72 8.887 -1.123 0.815 1.00 0.00 C ATOM 1112 CG GLN A 72 8.246 -1.836 2.007 1.00 0.00 C ATOM 1113 CD GLN A 72 7.449 -0.854 2.869 1.00 0.00 C ATOM 1114 OE1 GLN A 72 7.718 -0.660 4.043 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.457 -0.249 2.223 1.00 0.00 N ATOM 0 H GLN A 72 8.265 -2.076 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 72 10.761 -1.596 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.471 -0.272 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.109 -0.728 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.589 -2.629 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.020 -2.310 2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.287 -0.458 1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.866 0.424 2.711 1.00 0.00 H new ATOM 1124 N LEU A 73 9.017 -4.287 0.596 1.00 0.00 N ATOM 1125 CA LEU A 73 9.068 -5.585 1.247 1.00 0.00 C ATOM 1126 C LEU A 73 10.340 -6.317 0.816 1.00 0.00 C ATOM 1127 O LEU A 73 11.048 -6.882 1.649 1.00 0.00 O ATOM 1128 CB LEU A 73 7.784 -6.371 0.975 1.00 0.00 C ATOM 1129 CG LEU A 73 6.808 -6.489 2.148 1.00 0.00 C ATOM 1130 CD1 LEU A 73 6.862 -5.242 3.033 1.00 0.00 C ATOM 1131 CD2 LEU A 73 5.390 -6.780 1.653 1.00 0.00 C ATOM 0 H LEU A 73 8.197 -4.136 0.009 1.00 0.00 H new ATOM 0 HA LEU A 73 9.119 -5.467 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.263 -5.900 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.058 -7.376 0.654 1.00 0.00 H new ATOM 0 HG LEU A 73 7.114 -7.334 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.159 -5.351 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.870 -5.120 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.595 -4.365 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.716 -6.859 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.058 -5.971 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.384 -7.718 1.097 1.00 0.00 H new ATOM 1143 N GLY A 74 10.593 -6.283 -0.484 1.00 0.00 N ATOM 1144 CA GLY A 74 11.768 -6.936 -1.035 1.00 0.00 C ATOM 1145 C GLY A 74 11.372 -8.021 -2.039 1.00 0.00 C ATOM 1146 O GLY A 74 12.037 -9.050 -2.140 1.00 0.00 O ATOM 0 H GLY A 74 10.004 -5.813 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.403 -6.197 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.355 -7.378 -0.229 1.00 0.00 H new ATOM 1150 N TYR A 75 10.290 -7.753 -2.755 1.00 0.00 N ATOM 1151 CA TYR A 75 9.797 -8.694 -3.747 1.00 0.00 C ATOM 1152 C TYR A 75 10.083 -8.195 -5.165 1.00 0.00 C ATOM 1153 O TYR A 75 10.240 -8.993 -6.088 1.00 0.00 O ATOM 1154 CB TYR A 75 8.283 -8.769 -3.541 1.00 0.00 C ATOM 1155 CG TYR A 75 7.865 -9.486 -2.256 1.00 0.00 C ATOM 1156 CD1 TYR A 75 7.895 -10.865 -2.193 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.457 -8.755 -1.159 1.00 0.00 C ATOM 1158 CE1 TYR A 75 7.502 -11.539 -0.983 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.064 -9.429 0.051 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.105 -10.788 0.079 1.00 0.00 C ATOM 1161 OH TYR A 75 6.734 -11.425 1.222 1.00 0.00 O ATOM 0 H TYR A 75 9.741 -6.898 -2.668 1.00 0.00 H new ATOM 0 HA TYR A 75 10.283 -9.663 -3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.878 -7.757 -3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.836 -9.281 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.213 -11.438 -3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.432 -7.676 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.522 -12.617 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.744 -8.868 0.917 1.00 0.00 H new ATOM 0 HH TYR A 75 6.614 -10.768 1.939 1.00 0.00 H new