USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 1 GLY N :NH3+ -149:sc= 0.00708 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0475 USER MOD Single : A 15 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.021) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 4:sc= 0.95 USER MOD Single : A 25 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-0.65) USER MOD Single : A 28 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-3.8!) USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= -0.129 (180deg=-1.09) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 147:sc= -0.825 (180deg=-3.27!) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 0.0417 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0655 X(o=-0.066,f=-0.14) USER MOD Single : A 62 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 75:sc= 0.163 USER MOD Single : A 71 ASN : amide:sc=-0.00874 K(o=-0.0087,f=-0.71) USER MOD Single : A 78 HIS : no HE2:sc= -1.52 X(o=-1.5,f=-1.5) USER MOD Single : A 81 ASN : amide:sc= -0.728 K(o=-0.73,f=-1.9!) USER MOD Single : A 86 TYR OH : rot -109:sc= 0.245 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.790 7.335 -1.192 1.00 0.00 N ATOM 2 CA GLY A 1 -34.585 6.286 -0.580 1.00 0.00 C ATOM 3 C GLY A 1 -34.073 4.900 -0.916 1.00 0.00 C ATOM 4 O GLY A 1 -32.864 4.677 -0.984 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.799 8.178 -0.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.811 7.004 -1.311 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.189 7.575 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.584 6.418 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.619 6.378 -0.911 1.00 0.00 H new ATOM 8 N SER A 2 -34.994 3.965 -1.127 1.00 0.00 N ATOM 9 CA SER A 2 -34.629 2.592 -1.452 1.00 0.00 C ATOM 10 C SER A 2 -33.438 2.558 -2.406 1.00 0.00 C ATOM 11 O SER A 2 -33.454 3.195 -3.459 1.00 0.00 O ATOM 12 CB SER A 2 -35.818 1.860 -2.077 1.00 0.00 C ATOM 13 OG SER A 2 -36.907 1.793 -1.173 1.00 0.00 O ATOM 0 H SER A 2 -35.999 4.134 -1.079 1.00 0.00 H new ATOM 0 HA SER A 2 -34.347 2.089 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.128 2.373 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.518 0.853 -2.366 1.00 0.00 H new ATOM 0 HG SER A 2 -37.655 1.322 -1.596 1.00 0.00 H new ATOM 19 N SER A 3 -32.407 1.809 -2.029 1.00 0.00 N ATOM 20 CA SER A 3 -31.206 1.694 -2.848 1.00 0.00 C ATOM 21 C SER A 3 -30.700 0.255 -2.871 1.00 0.00 C ATOM 22 O SER A 3 -30.967 -0.524 -1.956 1.00 0.00 O ATOM 23 CB SER A 3 -30.112 2.623 -2.319 1.00 0.00 C ATOM 24 OG SER A 3 -29.184 2.951 -3.339 1.00 0.00 O ATOM 0 H SER A 3 -32.379 1.273 -1.162 1.00 0.00 H new ATOM 0 HA SER A 3 -31.461 1.987 -3.866 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.563 3.534 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.592 2.142 -1.490 1.00 0.00 H new ATOM 0 HG SER A 3 -28.496 3.547 -2.976 1.00 0.00 H new ATOM 30 N GLY A 4 -29.967 -0.092 -3.925 1.00 0.00 N ATOM 31 CA GLY A 4 -29.435 -1.436 -4.049 1.00 0.00 C ATOM 32 C GLY A 4 -28.816 -1.936 -2.758 1.00 0.00 C ATOM 33 O GLY A 4 -29.512 -2.471 -1.895 1.00 0.00 O ATOM 0 H GLY A 4 -29.732 0.534 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.234 -2.113 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.685 -1.455 -4.839 1.00 0.00 H new ATOM 37 N SER A 5 -27.505 -1.764 -2.627 1.00 0.00 N ATOM 38 CA SER A 5 -26.792 -2.206 -1.434 1.00 0.00 C ATOM 39 C SER A 5 -26.498 -1.030 -0.508 1.00 0.00 C ATOM 40 O SER A 5 -26.657 0.130 -0.891 1.00 0.00 O ATOM 41 CB SER A 5 -25.486 -2.901 -1.824 1.00 0.00 C ATOM 42 OG SER A 5 -24.529 -1.965 -2.290 1.00 0.00 O ATOM 0 H SER A 5 -26.915 -1.322 -3.332 1.00 0.00 H new ATOM 0 HA SER A 5 -27.428 -2.913 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.085 -3.438 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.682 -3.642 -2.599 1.00 0.00 H new ATOM 0 HG SER A 5 -23.703 -2.434 -2.531 1.00 0.00 H new ATOM 48 N SER A 6 -26.070 -1.337 0.711 1.00 0.00 N ATOM 49 CA SER A 6 -25.757 -0.306 1.695 1.00 0.00 C ATOM 50 C SER A 6 -24.617 0.582 1.206 1.00 0.00 C ATOM 51 O SER A 6 -24.694 1.808 1.282 1.00 0.00 O ATOM 52 CB SER A 6 -25.384 -0.945 3.034 1.00 0.00 C ATOM 53 OG SER A 6 -24.239 -1.770 2.903 1.00 0.00 O ATOM 0 H SER A 6 -25.932 -2.292 1.042 1.00 0.00 H new ATOM 0 HA SER A 6 -26.644 0.313 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.192 -0.166 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.222 -1.536 3.405 1.00 0.00 H new ATOM 0 HG SER A 6 -24.020 -2.166 3.772 1.00 0.00 H new ATOM 59 N GLY A 7 -23.558 -0.047 0.704 1.00 0.00 N ATOM 60 CA GLY A 7 -22.417 0.701 0.211 1.00 0.00 C ATOM 61 C GLY A 7 -21.125 -0.087 0.300 1.00 0.00 C ATOM 62 O GLY A 7 -21.056 -1.231 -0.150 1.00 0.00 O ATOM 0 H GLY A 7 -23.471 -1.061 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.594 0.987 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.317 1.623 0.783 1.00 0.00 H new ATOM 66 N ARG A 8 -20.098 0.525 0.879 1.00 0.00 N ATOM 67 CA ARG A 8 -18.801 -0.126 1.022 1.00 0.00 C ATOM 68 C ARG A 8 -18.883 -1.291 2.004 1.00 0.00 C ATOM 69 O ARG A 8 -19.955 -1.600 2.527 1.00 0.00 O ATOM 70 CB ARG A 8 -17.751 0.881 1.494 1.00 0.00 C ATOM 71 CG ARG A 8 -17.086 1.645 0.361 1.00 0.00 C ATOM 72 CD ARG A 8 -15.845 0.925 -0.144 1.00 0.00 C ATOM 73 NE ARG A 8 -16.160 -0.037 -1.196 1.00 0.00 N ATOM 74 CZ ARG A 8 -16.643 0.305 -2.385 1.00 0.00 C ATOM 75 NH1 ARG A 8 -16.866 1.581 -2.671 1.00 0.00 N ATOM 76 NH2 ARG A 8 -16.905 -0.628 -3.290 1.00 0.00 N ATOM 0 H ARG A 8 -20.139 1.471 1.257 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.508 -0.516 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.222 1.592 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.986 0.354 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.793 1.771 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.814 2.643 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.131 1.656 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.362 0.409 0.686 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.000 -1.027 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.666 2.302 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.237 1.842 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.736 -1.610 -3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.276 -0.363 -4.203 1.00 0.00 H new ATOM 90 N ILE A 9 -17.746 -1.932 2.249 1.00 0.00 N ATOM 91 CA ILE A 9 -17.690 -3.062 3.169 1.00 0.00 C ATOM 92 C ILE A 9 -16.254 -3.359 3.588 1.00 0.00 C ATOM 93 O ILE A 9 -15.325 -2.644 3.210 1.00 0.00 O ATOM 94 CB ILE A 9 -18.302 -4.329 2.542 1.00 0.00 C ATOM 95 CG1 ILE A 9 -18.107 -4.319 1.025 1.00 0.00 C ATOM 96 CG2 ILE A 9 -19.779 -4.432 2.892 1.00 0.00 C ATOM 97 CD1 ILE A 9 -18.489 -5.622 0.358 1.00 0.00 C ATOM 0 H ILE A 9 -16.851 -1.689 1.824 1.00 0.00 H new ATOM 0 HA ILE A 9 -18.272 -2.783 4.047 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.791 -5.202 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.701 -3.513 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.063 -4.099 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.198 -5.332 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.894 -4.481 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.305 -3.557 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.325 -5.542 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.877 -6.430 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -19.541 -5.834 0.550 1.00 0.00 H new ATOM 109 N VAL A 10 -16.079 -4.419 4.371 1.00 0.00 N ATOM 110 CA VAL A 10 -14.755 -4.812 4.839 1.00 0.00 C ATOM 111 C VAL A 10 -14.375 -6.193 4.316 1.00 0.00 C ATOM 112 O VAL A 10 -13.234 -6.426 3.921 1.00 0.00 O ATOM 113 CB VAL A 10 -14.685 -4.822 6.378 1.00 0.00 C ATOM 114 CG1 VAL A 10 -13.316 -5.290 6.847 1.00 0.00 C ATOM 115 CG2 VAL A 10 -15.005 -3.442 6.934 1.00 0.00 C ATOM 0 H VAL A 10 -16.837 -5.020 4.694 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.051 -4.074 4.454 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.430 -5.523 6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.285 -5.291 7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.130 -6.299 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.550 -4.617 6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.951 -3.467 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.284 -2.719 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.009 -3.150 6.627 1.00 0.00 H new ATOM 125 N GLY A 11 -15.341 -7.107 4.316 1.00 0.00 N ATOM 126 CA GLY A 11 -15.088 -8.453 3.838 1.00 0.00 C ATOM 127 C GLY A 11 -14.695 -9.400 4.955 1.00 0.00 C ATOM 128 O GLY A 11 -14.653 -9.010 6.121 1.00 0.00 O ATOM 0 H GLY A 11 -16.294 -6.939 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.981 -8.833 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.294 -8.427 3.091 1.00 0.00 H new ATOM 132 N GLU A 12 -14.408 -10.648 4.597 1.00 0.00 N ATOM 133 CA GLU A 12 -14.019 -11.653 5.579 1.00 0.00 C ATOM 134 C GLU A 12 -12.506 -11.849 5.586 1.00 0.00 C ATOM 135 O GLU A 12 -11.849 -11.743 4.550 1.00 0.00 O ATOM 136 CB GLU A 12 -14.715 -12.983 5.283 1.00 0.00 C ATOM 137 CG GLU A 12 -16.173 -13.016 5.711 1.00 0.00 C ATOM 138 CD GLU A 12 -16.345 -12.856 7.209 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.899 -13.751 7.957 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.927 -11.836 7.633 1.00 0.00 O ATOM 0 H GLU A 12 -14.438 -10.987 3.635 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.327 -11.301 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.654 -13.185 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.178 -13.785 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.716 -12.221 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.619 -13.960 5.397 1.00 0.00 H new ATOM 147 N LEU A 13 -11.958 -12.135 6.762 1.00 0.00 N ATOM 148 CA LEU A 13 -10.522 -12.345 6.907 1.00 0.00 C ATOM 149 C LEU A 13 -10.022 -13.388 5.912 1.00 0.00 C ATOM 150 O LEU A 13 -9.286 -13.068 4.980 1.00 0.00 O ATOM 151 CB LEU A 13 -10.192 -12.786 8.334 1.00 0.00 C ATOM 152 CG LEU A 13 -8.835 -12.336 8.878 1.00 0.00 C ATOM 153 CD1 LEU A 13 -8.866 -12.266 10.397 1.00 0.00 C ATOM 154 CD2 LEU A 13 -7.734 -13.276 8.408 1.00 0.00 C ATOM 0 H LEU A 13 -12.487 -12.227 7.629 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.019 -11.401 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.970 -12.410 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.235 -13.874 8.376 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.623 -11.339 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.892 -11.944 10.766 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.628 -11.553 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.100 -13.250 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.776 -12.941 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.941 -14.285 8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.696 -13.276 7.319 1.00 0.00 H new ATOM 166 N GLU A 14 -10.429 -14.637 6.118 1.00 0.00 N ATOM 167 CA GLU A 14 -10.023 -15.727 5.238 1.00 0.00 C ATOM 168 C GLU A 14 -10.173 -15.328 3.772 1.00 0.00 C ATOM 169 O GLU A 14 -9.330 -15.657 2.939 1.00 0.00 O ATOM 170 CB GLU A 14 -10.852 -16.980 5.524 1.00 0.00 C ATOM 171 CG GLU A 14 -10.364 -17.772 6.725 1.00 0.00 C ATOM 172 CD GLU A 14 -11.167 -19.037 6.956 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.399 -18.935 7.130 1.00 0.00 O ATOM 174 OE2 GLU A 14 -10.563 -20.130 6.962 1.00 0.00 O ATOM 0 H GLU A 14 -11.039 -14.919 6.886 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.973 -15.944 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.890 -16.689 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.837 -17.624 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.316 -18.033 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.417 -17.145 7.615 1.00 0.00 H new ATOM 181 N GLN A 15 -11.254 -14.617 3.467 1.00 0.00 N ATOM 182 CA GLN A 15 -11.516 -14.174 2.103 1.00 0.00 C ATOM 183 C GLN A 15 -10.386 -13.288 1.591 1.00 0.00 C ATOM 184 O GLN A 15 -9.928 -13.440 0.459 1.00 0.00 O ATOM 185 CB GLN A 15 -12.844 -13.417 2.036 1.00 0.00 C ATOM 186 CG GLN A 15 -14.046 -14.317 1.798 1.00 0.00 C ATOM 187 CD GLN A 15 -14.129 -14.814 0.368 1.00 0.00 C ATOM 188 OE1 GLN A 15 -13.846 -15.979 0.086 1.00 0.00 O ATOM 189 NE2 GLN A 15 -14.518 -13.931 -0.544 1.00 0.00 N ATOM 0 H GLN A 15 -11.962 -14.336 4.146 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.577 -15.057 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.989 -12.871 2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.791 -12.677 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.995 -15.171 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.958 -13.772 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.743 -12.976 -0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.592 -14.208 -1.523 1.00 0.00 H new ATOM 198 N MET A 16 -9.940 -12.361 2.433 1.00 0.00 N ATOM 199 CA MET A 16 -8.862 -11.450 2.066 1.00 0.00 C ATOM 200 C MET A 16 -7.764 -12.186 1.305 1.00 0.00 C ATOM 201 O MET A 16 -7.501 -13.362 1.558 1.00 0.00 O ATOM 202 CB MET A 16 -8.277 -10.788 3.315 1.00 0.00 C ATOM 203 CG MET A 16 -9.297 -9.995 4.117 1.00 0.00 C ATOM 204 SD MET A 16 -8.529 -8.864 5.292 1.00 0.00 S ATOM 205 CE MET A 16 -9.973 -8.057 5.979 1.00 0.00 C ATOM 0 H MET A 16 -10.308 -12.221 3.374 1.00 0.00 H new ATOM 0 HA MET A 16 -9.277 -10.680 1.416 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.843 -11.557 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.465 -10.124 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.930 -9.428 3.434 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.947 -10.685 4.655 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.661 -7.326 6.725 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.521 -7.553 5.183 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.617 -8.801 6.448 1.00 0.00 H new ATOM 215 N VAL A 17 -7.126 -11.487 0.372 1.00 0.00 N ATOM 216 CA VAL A 17 -6.056 -12.074 -0.425 1.00 0.00 C ATOM 217 C VAL A 17 -4.783 -11.239 -0.338 1.00 0.00 C ATOM 218 O VAL A 17 -4.833 -10.009 -0.355 1.00 0.00 O ATOM 219 CB VAL A 17 -6.467 -12.210 -1.904 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.613 -13.200 -2.051 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.846 -10.853 -2.477 1.00 0.00 C ATOM 0 H VAL A 17 -7.332 -10.513 0.150 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.865 -13.066 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.615 -12.592 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.890 -13.283 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.300 -14.176 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.471 -12.851 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.134 -10.967 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.683 -10.441 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.993 -10.177 -2.407 1.00 0.00 H new ATOM 231 N SER A 18 -3.643 -11.916 -0.245 1.00 0.00 N ATOM 232 CA SER A 18 -2.356 -11.236 -0.151 1.00 0.00 C ATOM 233 C SER A 18 -1.709 -11.106 -1.526 1.00 0.00 C ATOM 234 O SER A 18 -1.374 -12.104 -2.163 1.00 0.00 O ATOM 235 CB SER A 18 -1.423 -11.995 0.794 1.00 0.00 C ATOM 236 OG SER A 18 -0.901 -13.156 0.173 1.00 0.00 O ATOM 0 H SER A 18 -3.584 -12.934 -0.233 1.00 0.00 H new ATOM 0 HA SER A 18 -2.529 -10.236 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.604 -11.344 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.965 -12.275 1.698 1.00 0.00 H new ATOM 0 HG SER A 18 -1.200 -13.191 -0.760 1.00 0.00 H new ATOM 242 N GLU A 19 -1.538 -9.867 -1.978 1.00 0.00 N ATOM 243 CA GLU A 19 -0.932 -9.606 -3.278 1.00 0.00 C ATOM 244 C GLU A 19 0.405 -8.887 -3.121 1.00 0.00 C ATOM 245 O GLU A 19 0.667 -8.258 -2.096 1.00 0.00 O ATOM 246 CB GLU A 19 -1.874 -8.768 -4.146 1.00 0.00 C ATOM 247 CG GLU A 19 -2.821 -9.601 -4.994 1.00 0.00 C ATOM 248 CD GLU A 19 -2.124 -10.759 -5.681 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.111 -10.516 -6.370 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.591 -11.907 -5.530 1.00 0.00 O ATOM 0 H GLU A 19 -1.810 -9.030 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.755 -10.564 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.459 -8.110 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.280 -8.129 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.623 -9.987 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.285 -8.963 -5.746 1.00 0.00 H new ATOM 257 N ASP A 20 1.247 -8.987 -4.144 1.00 0.00 N ATOM 258 CA ASP A 20 2.557 -8.347 -4.121 1.00 0.00 C ATOM 259 C ASP A 20 2.591 -7.145 -5.060 1.00 0.00 C ATOM 260 O ASP A 20 2.161 -7.230 -6.210 1.00 0.00 O ATOM 261 CB ASP A 20 3.644 -9.348 -4.514 1.00 0.00 C ATOM 262 CG ASP A 20 3.526 -10.658 -3.759 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.692 -11.499 -4.157 1.00 0.00 O ATOM 264 OD2 ASP A 20 4.266 -10.842 -2.771 1.00 0.00 O ATOM 0 H ASP A 20 1.046 -9.505 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 20 2.746 -7.998 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.584 -9.543 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.624 -8.909 -4.324 1.00 0.00 H new ATOM 269 N VAL A 21 3.106 -6.025 -4.561 1.00 0.00 N ATOM 270 CA VAL A 21 3.196 -4.806 -5.355 1.00 0.00 C ATOM 271 C VAL A 21 4.635 -4.308 -5.436 1.00 0.00 C ATOM 272 O VAL A 21 5.293 -4.068 -4.423 1.00 0.00 O ATOM 273 CB VAL A 21 2.311 -3.689 -4.771 1.00 0.00 C ATOM 274 CG1 VAL A 21 2.050 -2.613 -5.815 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.003 -4.264 -4.249 1.00 0.00 C ATOM 0 H VAL A 21 3.467 -5.937 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 21 2.843 -5.054 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 21 2.840 -3.230 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.423 -1.832 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.998 -2.181 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.542 -3.054 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.390 -3.461 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.468 -4.750 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.213 -4.994 -3.467 1.00 0.00 H new ATOM 285 N PRO A 22 5.138 -4.149 -6.669 1.00 0.00 N ATOM 286 CA PRO A 22 6.504 -3.677 -6.913 1.00 0.00 C ATOM 287 C PRO A 22 6.685 -2.209 -6.543 1.00 0.00 C ATOM 288 O PRO A 22 6.286 -1.316 -7.292 1.00 0.00 O ATOM 289 CB PRO A 22 6.685 -3.876 -8.420 1.00 0.00 C ATOM 290 CG PRO A 22 5.304 -3.826 -8.976 1.00 0.00 C ATOM 291 CD PRO A 22 4.410 -4.416 -7.921 1.00 0.00 C ATOM 0 HA PRO A 22 7.235 -4.214 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.314 -3.096 -8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.166 -4.829 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.013 -2.801 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.237 -4.392 -9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.425 -3.948 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.256 -5.484 -8.076 1.00 0.00 H new ATOM 299 N LEU A 23 7.289 -1.966 -5.385 1.00 0.00 N ATOM 300 CA LEU A 23 7.523 -0.604 -4.916 1.00 0.00 C ATOM 301 C LEU A 23 9.013 -0.348 -4.710 1.00 0.00 C ATOM 302 O LEU A 23 9.687 -1.089 -3.994 1.00 0.00 O ATOM 303 CB LEU A 23 6.766 -0.356 -3.610 1.00 0.00 C ATOM 304 CG LEU A 23 6.539 1.109 -3.234 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.580 1.769 -4.213 1.00 0.00 C ATOM 306 CD2 LEU A 23 6.011 1.218 -1.811 1.00 0.00 C ATOM 0 H LEU A 23 7.625 -2.693 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 23 7.156 0.084 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.796 -0.848 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.312 -0.838 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 23 7.495 1.630 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.431 2.811 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.998 1.723 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.623 1.247 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.855 2.267 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.065 0.682 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.734 0.783 -1.120 1.00 0.00 H new ATOM 318 N ASP A 24 9.519 0.706 -5.340 1.00 0.00 N ATOM 319 CA ASP A 24 10.929 1.062 -5.223 1.00 0.00 C ATOM 320 C ASP A 24 11.245 1.579 -3.823 1.00 0.00 C ATOM 321 O ASP A 24 10.471 2.341 -3.242 1.00 0.00 O ATOM 322 CB ASP A 24 11.298 2.119 -6.266 1.00 0.00 C ATOM 323 CG ASP A 24 12.786 2.153 -6.554 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.425 1.081 -6.502 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.311 3.251 -6.832 1.00 0.00 O ATOM 0 H ASP A 24 8.975 1.329 -5.937 1.00 0.00 H new ATOM 0 HA ASP A 24 11.521 0.164 -5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.756 1.918 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.976 3.100 -5.915 1.00 0.00 H new ATOM 330 N HIS A 25 12.385 1.158 -3.286 1.00 0.00 N ATOM 331 CA HIS A 25 12.803 1.578 -1.953 1.00 0.00 C ATOM 332 C HIS A 25 13.027 3.086 -1.904 1.00 0.00 C ATOM 333 O HIS A 25 12.994 3.694 -0.834 1.00 0.00 O ATOM 334 CB HIS A 25 14.082 0.847 -1.542 1.00 0.00 C ATOM 335 CG HIS A 25 14.727 1.412 -0.314 1.00 0.00 C ATOM 336 ND1 HIS A 25 16.093 1.505 -0.157 1.00 0.00 N ATOM 337 CD2 HIS A 25 14.184 1.917 0.818 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.363 2.040 1.020 1.00 0.00 C ATOM 339 NE2 HIS A 25 15.222 2.300 1.632 1.00 0.00 N ATOM 0 H HIS A 25 13.036 0.527 -3.753 1.00 0.00 H new ATOM 0 HA HIS A 25 12.007 1.324 -1.253 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.850 -0.204 -1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.794 0.886 -2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.131 2.003 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.350 2.232 1.415 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.127 2.717 2.558 1.00 0.00 H new ATOM 347 N ARG A 26 13.257 3.683 -3.069 1.00 0.00 N ATOM 348 CA ARG A 26 13.489 5.120 -3.158 1.00 0.00 C ATOM 349 C ARG A 26 12.223 5.898 -2.809 1.00 0.00 C ATOM 350 O ARG A 26 12.276 7.094 -2.523 1.00 0.00 O ATOM 351 CB ARG A 26 13.959 5.496 -4.565 1.00 0.00 C ATOM 352 CG ARG A 26 15.421 5.169 -4.826 1.00 0.00 C ATOM 353 CD ARG A 26 16.332 6.305 -4.389 1.00 0.00 C ATOM 354 NE ARG A 26 17.694 5.846 -4.131 1.00 0.00 N ATOM 355 CZ ARG A 26 18.046 5.164 -3.047 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.141 4.863 -2.126 1.00 0.00 N ATOM 357 NH2 ARG A 26 19.306 4.780 -2.883 1.00 0.00 N ATOM 0 H ARG A 26 13.288 3.194 -3.964 1.00 0.00 H new ATOM 0 HA ARG A 26 14.266 5.382 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.342 4.974 -5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.801 6.563 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.692 4.258 -4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.567 4.972 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.349 7.074 -5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.928 6.767 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 26 18.414 6.061 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.172 5.155 -2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.414 4.339 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 26 20.005 5.009 -3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.575 4.256 -2.050 1.00 0.00 H new ATOM 371 N VAL A 27 11.086 5.210 -2.835 1.00 0.00 N ATOM 372 CA VAL A 27 9.807 5.836 -2.521 1.00 0.00 C ATOM 373 C VAL A 27 9.195 5.233 -1.262 1.00 0.00 C ATOM 374 O VAL A 27 8.292 5.813 -0.658 1.00 0.00 O ATOM 375 CB VAL A 27 8.809 5.688 -3.685 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.374 6.305 -4.955 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.460 4.223 -3.904 1.00 0.00 C ATOM 0 H VAL A 27 11.024 4.219 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 27 10.005 6.895 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 27 7.894 6.222 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.655 6.191 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.569 7.365 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.304 5.803 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.754 4.137 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.366 3.665 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.010 3.817 -2.998 1.00 0.00 H new ATOM 387 N HIS A 28 9.694 4.065 -0.869 1.00 0.00 N ATOM 388 CA HIS A 28 9.197 3.383 0.321 1.00 0.00 C ATOM 389 C HIS A 28 8.949 4.377 1.453 1.00 0.00 C ATOM 390 O HIS A 28 7.806 4.614 1.843 1.00 0.00 O ATOM 391 CB HIS A 28 10.191 2.314 0.775 1.00 0.00 C ATOM 392 CG HIS A 28 10.003 0.993 0.094 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.523 -0.186 0.583 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.344 0.670 -1.043 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.194 -1.178 -0.225 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.478 -0.685 -1.220 1.00 0.00 N ATOM 0 H HIS A 28 10.442 3.571 -1.357 1.00 0.00 H new ATOM 0 HA HIS A 28 8.251 2.904 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.204 2.669 0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.096 2.175 1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.812 1.351 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.464 -2.215 -0.094 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.088 -1.223 -1.994 1.00 0.00 H new ATOM 404 N ALA A 29 10.026 4.952 1.975 1.00 0.00 N ATOM 405 CA ALA A 29 9.925 5.920 3.061 1.00 0.00 C ATOM 406 C ALA A 29 8.999 7.072 2.684 1.00 0.00 C ATOM 407 O ALA A 29 8.140 7.472 3.470 1.00 0.00 O ATOM 408 CB ALA A 29 11.304 6.447 3.428 1.00 0.00 C ATOM 0 H ALA A 29 10.979 4.765 1.664 1.00 0.00 H new ATOM 0 HA ALA A 29 9.499 5.414 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.214 7.169 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.937 5.619 3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.751 6.932 2.560 1.00 0.00 H new ATOM 414 N ARG A 30 9.181 7.601 1.479 1.00 0.00 N ATOM 415 CA ARG A 30 8.362 8.709 0.999 1.00 0.00 C ATOM 416 C ARG A 30 6.880 8.427 1.224 1.00 0.00 C ATOM 417 O ARG A 30 6.089 9.345 1.439 1.00 0.00 O ATOM 418 CB ARG A 30 8.625 8.959 -0.487 1.00 0.00 C ATOM 419 CG ARG A 30 9.745 9.952 -0.749 1.00 0.00 C ATOM 420 CD ARG A 30 11.095 9.395 -0.324 1.00 0.00 C ATOM 421 NE ARG A 30 12.048 10.454 -0.004 1.00 0.00 N ATOM 422 CZ ARG A 30 13.175 10.250 0.669 1.00 0.00 C ATOM 423 NH1 ARG A 30 13.488 9.033 1.090 1.00 0.00 N ATOM 424 NH2 ARG A 30 13.992 11.265 0.921 1.00 0.00 N ATOM 0 H ARG A 30 9.888 7.281 0.817 1.00 0.00 H new ATOM 0 HA ARG A 30 8.634 9.600 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.871 8.012 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.710 9.325 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.771 10.201 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.546 10.878 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.964 8.751 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.499 8.774 -1.123 1.00 0.00 H new ATOM 0 HE ARG A 30 11.837 11.402 -0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.863 8.250 0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.354 8.879 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.755 12.203 0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.857 11.107 1.438 1.00 0.00 H new ATOM 438 N ILE A 31 6.511 7.151 1.174 1.00 0.00 N ATOM 439 CA ILE A 31 5.124 6.749 1.373 1.00 0.00 C ATOM 440 C ILE A 31 4.851 6.423 2.837 1.00 0.00 C ATOM 441 O ILE A 31 3.910 6.946 3.434 1.00 0.00 O ATOM 442 CB ILE A 31 4.764 5.524 0.510 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.959 5.843 -0.973 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.332 5.089 0.781 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.951 4.618 -1.861 1.00 0.00 C ATOM 0 H ILE A 31 7.153 6.378 0.997 1.00 0.00 H new ATOM 0 HA ILE A 31 4.504 7.592 1.069 1.00 0.00 H new ATOM 0 HB ILE A 31 5.429 4.702 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.170 6.522 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.905 6.369 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.092 4.223 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.225 4.826 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.652 5.906 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.094 4.920 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.757 3.948 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.996 4.103 -1.762 1.00 0.00 H new ATOM 457 N ILE A 32 5.681 5.558 3.410 1.00 0.00 N ATOM 458 CA ILE A 32 5.531 5.165 4.806 1.00 0.00 C ATOM 459 C ILE A 32 5.225 6.372 5.686 1.00 0.00 C ATOM 460 O ILE A 32 4.257 6.370 6.446 1.00 0.00 O ATOM 461 CB ILE A 32 6.798 4.467 5.333 1.00 0.00 C ATOM 462 CG1 ILE A 32 7.014 3.138 4.607 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.693 4.245 6.835 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.461 2.697 4.571 1.00 0.00 C ATOM 0 H ILE A 32 6.464 5.116 2.929 1.00 0.00 H new ATOM 0 HA ILE A 32 4.696 4.465 4.850 1.00 0.00 H new ATOM 0 HB ILE A 32 7.657 5.109 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.419 2.366 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.644 3.227 3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.596 3.751 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.581 5.206 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.827 3.620 7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.539 1.748 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.058 3.450 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.830 2.575 5.589 1.00 0.00 H new ATOM 476 N GLY A 33 6.057 7.404 5.577 1.00 0.00 N ATOM 477 CA GLY A 33 5.857 8.604 6.368 1.00 0.00 C ATOM 478 C GLY A 33 6.673 8.599 7.646 1.00 0.00 C ATOM 479 O GLY A 33 6.584 7.665 8.443 1.00 0.00 O ATOM 0 H GLY A 33 6.865 7.430 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.125 9.477 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.800 8.700 6.616 1.00 0.00 H new ATOM 483 N ALA A 34 7.472 9.643 7.840 1.00 0.00 N ATOM 484 CA ALA A 34 8.306 9.755 9.030 1.00 0.00 C ATOM 485 C ALA A 34 7.615 9.145 10.245 1.00 0.00 C ATOM 486 O ALA A 34 8.159 8.254 10.898 1.00 0.00 O ATOM 487 CB ALA A 34 8.655 11.212 9.295 1.00 0.00 C ATOM 0 H ALA A 34 7.559 10.423 7.189 1.00 0.00 H new ATOM 0 HA ALA A 34 9.226 9.199 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.278 11.281 10.187 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.198 11.617 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.739 11.784 9.447 1.00 0.00 H new ATOM 493 N ARG A 35 6.415 9.631 10.543 1.00 0.00 N ATOM 494 CA ARG A 35 5.651 9.134 11.681 1.00 0.00 C ATOM 495 C ARG A 35 4.945 7.826 11.333 1.00 0.00 C ATOM 496 O ARG A 35 4.652 7.015 12.210 1.00 0.00 O ATOM 497 CB ARG A 35 4.624 10.177 12.127 1.00 0.00 C ATOM 498 CG ARG A 35 5.207 11.265 13.013 1.00 0.00 C ATOM 499 CD ARG A 35 6.014 12.269 12.205 1.00 0.00 C ATOM 500 NE ARG A 35 5.167 13.295 11.603 1.00 0.00 N ATOM 501 CZ ARG A 35 5.626 14.246 10.797 1.00 0.00 C ATOM 502 NH1 ARG A 35 6.916 14.301 10.497 1.00 0.00 N ATOM 503 NH2 ARG A 35 4.792 15.144 10.288 1.00 0.00 N ATOM 0 H ARG A 35 5.951 10.368 10.013 1.00 0.00 H new ATOM 0 HA ARG A 35 6.346 8.945 12.499 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.180 10.638 11.245 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.819 9.675 12.664 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.401 11.781 13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.843 10.814 13.774 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.754 12.743 12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.563 11.746 11.421 1.00 0.00 H new ATOM 0 HE ARG A 35 4.169 13.281 11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.560 13.612 10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.265 15.033 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.799 15.104 10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.144 15.874 9.669 1.00 0.00 H new ATOM 517 N GLY A 36 4.676 7.629 10.046 1.00 0.00 N ATOM 518 CA GLY A 36 4.006 6.419 9.605 1.00 0.00 C ATOM 519 C GLY A 36 2.508 6.602 9.471 1.00 0.00 C ATOM 520 O GLY A 36 1.750 5.633 9.517 1.00 0.00 O ATOM 0 H GLY A 36 4.910 8.285 9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.418 6.108 8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.209 5.616 10.314 1.00 0.00 H new ATOM 524 N LYS A 37 2.078 7.848 9.305 1.00 0.00 N ATOM 525 CA LYS A 37 0.659 8.156 9.164 1.00 0.00 C ATOM 526 C LYS A 37 0.242 8.135 7.697 1.00 0.00 C ATOM 527 O LYS A 37 -0.891 7.783 7.369 1.00 0.00 O ATOM 528 CB LYS A 37 0.351 9.526 9.773 1.00 0.00 C ATOM 529 CG LYS A 37 0.081 9.480 11.267 1.00 0.00 C ATOM 530 CD LYS A 37 1.364 9.291 12.060 1.00 0.00 C ATOM 531 CE LYS A 37 1.143 9.534 13.545 1.00 0.00 C ATOM 532 NZ LYS A 37 2.090 8.747 14.382 1.00 0.00 N ATOM 0 H LYS A 37 2.692 8.662 9.265 1.00 0.00 H new ATOM 0 HA LYS A 37 0.092 7.393 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.190 10.195 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.516 9.952 9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.407 10.404 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.608 8.665 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.741 8.280 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.127 9.975 11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.263 10.596 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.119 9.269 13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.554 8.121 15.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.703 8.174 13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.675 9.395 14.947 1.00 0.00 H new ATOM 546 N ALA A 38 1.164 8.513 6.818 1.00 0.00 N ATOM 547 CA ALA A 38 0.893 8.534 5.386 1.00 0.00 C ATOM 548 C ALA A 38 0.441 7.163 4.893 1.00 0.00 C ATOM 549 O ALA A 38 -0.403 7.061 4.002 1.00 0.00 O ATOM 550 CB ALA A 38 2.125 8.992 4.621 1.00 0.00 C ATOM 0 H ALA A 38 2.106 8.809 7.073 1.00 0.00 H new ATOM 0 HA ALA A 38 0.084 9.242 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.907 9.003 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.402 9.995 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.950 8.307 4.816 1.00 0.00 H new ATOM 556 N ILE A 39 1.008 6.113 5.477 1.00 0.00 N ATOM 557 CA ILE A 39 0.663 4.749 5.097 1.00 0.00 C ATOM 558 C ILE A 39 -0.595 4.279 5.819 1.00 0.00 C ATOM 559 O ILE A 39 -1.291 3.377 5.351 1.00 0.00 O ATOM 560 CB ILE A 39 1.813 3.771 5.402 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.451 2.361 4.931 1.00 0.00 C ATOM 562 CG2 ILE A 39 2.129 3.774 6.890 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.247 2.257 3.436 1.00 0.00 C ATOM 0 H ILE A 39 1.709 6.181 6.215 1.00 0.00 H new ATOM 0 HA ILE A 39 0.480 4.757 4.022 1.00 0.00 H new ATOM 0 HB ILE A 39 2.701 4.097 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.241 1.673 5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.540 2.040 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.944 3.078 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.425 4.777 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.245 3.469 7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.993 1.230 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.437 2.920 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.164 2.546 2.923 1.00 0.00 H new ATOM 575 N ARG A 40 -0.881 4.897 6.960 1.00 0.00 N ATOM 576 CA ARG A 40 -2.056 4.542 7.747 1.00 0.00 C ATOM 577 C ARG A 40 -3.338 4.935 7.018 1.00 0.00 C ATOM 578 O ARG A 40 -4.266 4.136 6.897 1.00 0.00 O ATOM 579 CB ARG A 40 -2.005 5.224 9.115 1.00 0.00 C ATOM 580 CG ARG A 40 -3.039 4.697 10.097 1.00 0.00 C ATOM 581 CD ARG A 40 -2.725 3.272 10.525 1.00 0.00 C ATOM 582 NE ARG A 40 -3.485 2.876 11.708 1.00 0.00 N ATOM 583 CZ ARG A 40 -3.192 1.812 12.447 1.00 0.00 C ATOM 584 NH1 ARG A 40 -2.162 1.041 12.127 1.00 0.00 N ATOM 585 NH2 ARG A 40 -3.931 1.517 13.509 1.00 0.00 N ATOM 0 H ARG A 40 -0.316 5.646 7.360 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.055 3.461 7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.011 5.091 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.154 6.296 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.071 5.343 10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.028 4.731 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.949 2.590 9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.659 3.182 10.732 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.284 3.448 11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.592 1.264 11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.940 0.225 12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.725 2.107 13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.706 0.700 14.076 1.00 0.00 H new ATOM 599 N LYS A 41 -3.382 6.172 6.535 1.00 0.00 N ATOM 600 CA LYS A 41 -4.548 6.672 5.817 1.00 0.00 C ATOM 601 C LYS A 41 -4.841 5.815 4.590 1.00 0.00 C ATOM 602 O LYS A 41 -5.991 5.460 4.329 1.00 0.00 O ATOM 603 CB LYS A 41 -4.327 8.127 5.395 1.00 0.00 C ATOM 604 CG LYS A 41 -3.247 8.297 4.342 1.00 0.00 C ATOM 605 CD LYS A 41 -3.043 9.760 3.984 1.00 0.00 C ATOM 606 CE LYS A 41 -2.073 9.920 2.823 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.304 11.188 2.078 1.00 0.00 N ATOM 0 H LYS A 41 -2.623 6.847 6.628 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.406 6.620 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.264 8.532 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.062 8.715 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.310 7.877 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.518 7.737 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.001 10.209 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.664 10.299 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.050 9.901 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.178 9.075 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.623 11.260 1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.272 11.196 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.179 11.996 2.721 1.00 0.00 H new ATOM 621 N ILE A 42 -3.794 5.485 3.841 1.00 0.00 N ATOM 622 CA ILE A 42 -3.940 4.667 2.643 1.00 0.00 C ATOM 623 C ILE A 42 -4.582 3.323 2.970 1.00 0.00 C ATOM 624 O ILE A 42 -5.433 2.834 2.228 1.00 0.00 O ATOM 625 CB ILE A 42 -2.582 4.423 1.959 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.050 5.722 1.352 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.713 3.347 0.891 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.609 5.634 0.901 1.00 0.00 C ATOM 0 H ILE A 42 -2.836 5.771 4.042 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.587 5.219 1.961 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.871 4.078 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.672 5.997 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.144 6.522 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.745 3.186 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.051 2.418 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.436 3.665 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.300 6.591 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.025 5.390 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.512 4.857 0.143 1.00 0.00 H new ATOM 640 N MET A 43 -4.168 2.732 4.086 1.00 0.00 N ATOM 641 CA MET A 43 -4.705 1.445 4.513 1.00 0.00 C ATOM 642 C MET A 43 -6.184 1.564 4.867 1.00 0.00 C ATOM 643 O MET A 43 -7.021 0.840 4.328 1.00 0.00 O ATOM 644 CB MET A 43 -3.921 0.915 5.715 1.00 0.00 C ATOM 645 CG MET A 43 -2.659 0.158 5.332 1.00 0.00 C ATOM 646 SD MET A 43 -1.890 -0.666 6.739 1.00 0.00 S ATOM 647 CE MET A 43 -0.704 0.574 7.251 1.00 0.00 C ATOM 0 H MET A 43 -3.463 3.123 4.711 1.00 0.00 H new ATOM 0 HA MET A 43 -4.603 0.744 3.685 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.651 1.751 6.360 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.566 0.258 6.298 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.901 -0.583 4.570 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.945 0.851 4.887 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.581 0.535 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.255 0.381 6.770 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.063 1.562 6.962 1.00 0.00 H new ATOM 657 N ASP A 44 -6.498 2.479 5.777 1.00 0.00 N ATOM 658 CA ASP A 44 -7.876 2.693 6.203 1.00 0.00 C ATOM 659 C ASP A 44 -8.754 3.094 5.021 1.00 0.00 C ATOM 660 O ASP A 44 -9.913 2.691 4.933 1.00 0.00 O ATOM 661 CB ASP A 44 -7.936 3.769 7.287 1.00 0.00 C ATOM 662 CG ASP A 44 -7.231 3.347 8.561 1.00 0.00 C ATOM 663 OD1 ASP A 44 -7.710 2.399 9.219 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.200 3.965 8.901 1.00 0.00 O ATOM 0 H ASP A 44 -5.817 3.085 6.234 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.254 1.756 6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.482 4.686 6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.978 3.998 7.510 1.00 0.00 H new ATOM 669 N GLU A 45 -8.192 3.890 4.117 1.00 0.00 N ATOM 670 CA GLU A 45 -8.925 4.347 2.942 1.00 0.00 C ATOM 671 C GLU A 45 -9.616 3.179 2.244 1.00 0.00 C ATOM 672 O GLU A 45 -10.828 3.200 2.028 1.00 0.00 O ATOM 673 CB GLU A 45 -7.981 5.052 1.966 1.00 0.00 C ATOM 674 CG GLU A 45 -8.673 5.571 0.717 1.00 0.00 C ATOM 675 CD GLU A 45 -9.467 6.837 0.973 1.00 0.00 C ATOM 676 OE1 GLU A 45 -9.903 7.042 2.124 1.00 0.00 O ATOM 677 OE2 GLU A 45 -9.652 7.623 0.020 1.00 0.00 O ATOM 0 H GLU A 45 -7.233 4.232 4.175 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.687 5.053 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.500 5.886 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.192 4.360 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.927 5.764 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.340 4.801 0.329 1.00 0.00 H new ATOM 684 N PHE A 46 -8.837 2.162 1.893 1.00 0.00 N ATOM 685 CA PHE A 46 -9.372 0.986 1.218 1.00 0.00 C ATOM 686 C PHE A 46 -9.557 -0.168 2.199 1.00 0.00 C ATOM 687 O PHE A 46 -9.920 -1.278 1.810 1.00 0.00 O ATOM 688 CB PHE A 46 -8.443 0.558 0.079 1.00 0.00 C ATOM 689 CG PHE A 46 -8.154 1.656 -0.903 1.00 0.00 C ATOM 690 CD1 PHE A 46 -7.197 2.619 -0.625 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.840 1.727 -2.105 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.929 3.631 -1.528 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.576 2.736 -3.012 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.620 3.690 -2.722 1.00 0.00 C ATOM 0 H PHE A 46 -7.832 2.129 2.065 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.346 1.248 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.503 0.203 0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.893 -0.282 -0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.654 2.578 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.590 0.985 -2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.180 4.375 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.116 2.778 -3.946 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.413 4.481 -3.428 1.00 0.00 H new ATOM 704 N LYS A 47 -9.303 0.103 3.475 1.00 0.00 N ATOM 705 CA LYS A 47 -9.441 -0.910 4.515 1.00 0.00 C ATOM 706 C LYS A 47 -8.526 -2.099 4.241 1.00 0.00 C ATOM 707 O LYS A 47 -8.927 -3.253 4.392 1.00 0.00 O ATOM 708 CB LYS A 47 -10.894 -1.382 4.606 1.00 0.00 C ATOM 709 CG LYS A 47 -11.861 -0.294 5.040 1.00 0.00 C ATOM 710 CD LYS A 47 -11.676 0.063 6.505 1.00 0.00 C ATOM 711 CE LYS A 47 -12.838 0.895 7.027 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.848 2.264 6.441 1.00 0.00 N ATOM 0 H LYS A 47 -9.000 1.016 3.814 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.150 -0.462 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.204 -1.765 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.954 -2.212 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.710 0.594 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.885 -0.628 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.587 -0.849 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.745 0.616 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.777 0.393 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.775 0.965 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.989 2.964 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.941 2.445 5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.622 2.340 5.750 1.00 0.00 H new ATOM 726 N VAL A 48 -7.292 -1.810 3.839 1.00 0.00 N ATOM 727 CA VAL A 48 -6.318 -2.855 3.547 1.00 0.00 C ATOM 728 C VAL A 48 -5.109 -2.754 4.470 1.00 0.00 C ATOM 729 O VAL A 48 -4.916 -1.744 5.148 1.00 0.00 O ATOM 730 CB VAL A 48 -5.841 -2.784 2.084 1.00 0.00 C ATOM 731 CG1 VAL A 48 -7.004 -3.014 1.131 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.170 -1.448 1.807 1.00 0.00 C ATOM 0 H VAL A 48 -6.943 -0.860 3.708 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.818 -3.809 3.713 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.108 -3.574 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.648 -2.960 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.436 -3.998 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.763 -2.249 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.839 -1.415 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.879 -0.640 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.310 -1.329 2.466 1.00 0.00 H new ATOM 742 N ASP A 49 -4.298 -3.805 4.491 1.00 0.00 N ATOM 743 CA ASP A 49 -3.106 -3.834 5.330 1.00 0.00 C ATOM 744 C ASP A 49 -1.849 -4.008 4.482 1.00 0.00 C ATOM 745 O ASP A 49 -1.538 -5.112 4.034 1.00 0.00 O ATOM 746 CB ASP A 49 -3.205 -4.965 6.354 1.00 0.00 C ATOM 747 CG ASP A 49 -4.600 -5.104 6.930 1.00 0.00 C ATOM 748 OD1 ASP A 49 -5.514 -5.510 6.181 1.00 0.00 O ATOM 749 OD2 ASP A 49 -4.779 -4.808 8.130 1.00 0.00 O ATOM 0 H ASP A 49 -4.444 -4.649 3.937 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.039 -2.882 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.914 -5.904 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.498 -4.782 7.163 1.00 0.00 H new ATOM 754 N ILE A 50 -1.131 -2.911 4.266 1.00 0.00 N ATOM 755 CA ILE A 50 0.091 -2.942 3.473 1.00 0.00 C ATOM 756 C ILE A 50 1.288 -3.352 4.324 1.00 0.00 C ATOM 757 O ILE A 50 1.546 -2.764 5.374 1.00 0.00 O ATOM 758 CB ILE A 50 0.379 -1.574 2.827 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.809 -1.129 1.971 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.647 -1.639 1.990 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.800 0.348 1.646 1.00 0.00 C ATOM 0 H ILE A 50 -1.375 -1.990 4.629 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.063 -3.680 2.686 1.00 0.00 H new ATOM 0 HB ILE A 50 0.527 -0.840 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.809 -1.697 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.734 -1.372 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.837 -0.664 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.489 -1.915 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.526 -2.384 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.671 0.592 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.831 0.924 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.108 0.594 1.096 1.00 0.00 H new ATOM 773 N ARG A 51 2.017 -4.362 3.862 1.00 0.00 N ATOM 774 CA ARG A 51 3.188 -4.851 4.580 1.00 0.00 C ATOM 775 C ARG A 51 4.465 -4.573 3.791 1.00 0.00 C ATOM 776 O ARG A 51 4.654 -5.096 2.693 1.00 0.00 O ATOM 777 CB ARG A 51 3.059 -6.351 4.850 1.00 0.00 C ATOM 778 CG ARG A 51 4.209 -6.926 5.660 1.00 0.00 C ATOM 779 CD ARG A 51 4.279 -6.305 7.046 1.00 0.00 C ATOM 780 NE ARG A 51 5.123 -5.113 7.070 1.00 0.00 N ATOM 781 CZ ARG A 51 5.097 -4.213 8.047 1.00 0.00 C ATOM 782 NH1 ARG A 51 4.273 -4.369 9.074 1.00 0.00 N ATOM 783 NH2 ARG A 51 5.895 -3.155 7.997 1.00 0.00 N ATOM 0 H ARG A 51 1.818 -4.858 2.993 1.00 0.00 H new ATOM 0 HA ARG A 51 3.246 -4.322 5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.124 -6.537 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.997 -6.879 3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.088 -8.006 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.148 -6.753 5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.274 -6.044 7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.667 -7.038 7.753 1.00 0.00 H new ATOM 0 HE ARG A 51 5.768 -4.963 6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.657 -5.181 9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.255 -3.677 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.529 -3.032 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.874 -2.465 8.748 1.00 0.00 H new ATOM 797 N PHE A 52 5.337 -3.747 4.359 1.00 0.00 N ATOM 798 CA PHE A 52 6.595 -3.399 3.709 1.00 0.00 C ATOM 799 C PHE A 52 7.683 -4.413 4.049 1.00 0.00 C ATOM 800 O PHE A 52 7.680 -5.029 5.115 1.00 0.00 O ATOM 801 CB PHE A 52 7.040 -1.996 4.129 1.00 0.00 C ATOM 802 CG PHE A 52 6.268 -0.896 3.458 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.054 -0.471 3.972 1.00 0.00 C ATOM 804 CD2 PHE A 52 6.757 -0.288 2.313 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.341 0.541 3.355 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.049 0.725 1.693 1.00 0.00 C ATOM 807 CZ PHE A 52 4.840 1.140 2.215 1.00 0.00 C ATOM 0 H PHE A 52 5.196 -3.306 5.268 1.00 0.00 H new ATOM 0 HA PHE A 52 6.434 -3.414 2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.933 -1.898 5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.099 -1.876 3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.660 -0.935 4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.702 -0.609 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.395 0.863 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.441 1.191 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.286 1.932 1.733 1.00 0.00 H new ATOM 817 N PRO A 53 8.636 -4.592 3.123 1.00 0.00 N ATOM 818 CA PRO A 53 9.748 -5.530 3.301 1.00 0.00 C ATOM 819 C PRO A 53 10.734 -5.064 4.367 1.00 0.00 C ATOM 820 O PRO A 53 11.491 -4.118 4.152 1.00 0.00 O ATOM 821 CB PRO A 53 10.418 -5.552 1.925 1.00 0.00 C ATOM 822 CG PRO A 53 10.071 -4.239 1.314 1.00 0.00 C ATOM 823 CD PRO A 53 8.702 -3.891 1.829 1.00 0.00 C ATOM 0 HA PRO A 53 9.406 -6.508 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.498 -5.675 2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.051 -6.380 1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.798 -3.475 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.074 -4.302 0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.579 -2.815 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.919 -4.228 1.149 1.00 0.00 H new ATOM 831 N GLN A 54 10.719 -5.735 5.514 1.00 0.00 N ATOM 832 CA GLN A 54 11.613 -5.388 6.613 1.00 0.00 C ATOM 833 C GLN A 54 13.064 -5.685 6.249 1.00 0.00 C ATOM 834 O GLN A 54 13.361 -6.095 5.127 1.00 0.00 O ATOM 835 CB GLN A 54 11.224 -6.158 7.877 1.00 0.00 C ATOM 836 CG GLN A 54 9.833 -5.822 8.390 1.00 0.00 C ATOM 837 CD GLN A 54 9.431 -6.668 9.582 1.00 0.00 C ATOM 838 OE1 GLN A 54 9.879 -6.432 10.704 1.00 0.00 O ATOM 839 NE2 GLN A 54 8.581 -7.660 9.345 1.00 0.00 N ATOM 0 H GLN A 54 10.098 -6.521 5.707 1.00 0.00 H new ATOM 0 HA GLN A 54 11.517 -4.319 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.278 -7.227 7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.952 -5.946 8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.797 -4.769 8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.109 -5.965 7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.235 -7.820 8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.274 -8.262 10.109 1.00 0.00 H new ATOM 848 N SER A 55 13.963 -5.475 7.204 1.00 0.00 N ATOM 849 CA SER A 55 15.384 -5.716 6.983 1.00 0.00 C ATOM 850 C SER A 55 15.621 -7.132 6.465 1.00 0.00 C ATOM 851 O SER A 55 16.270 -7.329 5.439 1.00 0.00 O ATOM 852 CB SER A 55 16.169 -5.497 8.278 1.00 0.00 C ATOM 853 OG SER A 55 17.538 -5.819 8.106 1.00 0.00 O ATOM 0 H SER A 55 13.733 -5.138 8.139 1.00 0.00 H new ATOM 0 HA SER A 55 15.734 -5.009 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.074 -4.458 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.745 -6.111 9.072 1.00 0.00 H new ATOM 0 HG SER A 55 18.018 -5.669 8.947 1.00 0.00 H new ATOM 859 N GLY A 56 15.089 -8.115 7.185 1.00 0.00 N ATOM 860 CA GLY A 56 15.252 -9.500 6.784 1.00 0.00 C ATOM 861 C GLY A 56 14.212 -9.937 5.771 1.00 0.00 C ATOM 862 O GLY A 56 13.691 -11.050 5.848 1.00 0.00 O ATOM 0 H GLY A 56 14.548 -7.977 8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.247 -9.638 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.189 -10.140 7.664 1.00 0.00 H new ATOM 866 N ALA A 57 13.908 -9.059 4.821 1.00 0.00 N ATOM 867 CA ALA A 57 12.924 -9.361 3.789 1.00 0.00 C ATOM 868 C ALA A 57 13.599 -9.852 2.513 1.00 0.00 C ATOM 869 O ALA A 57 14.680 -9.397 2.140 1.00 0.00 O ATOM 870 CB ALA A 57 12.071 -8.135 3.499 1.00 0.00 C ATOM 0 H ALA A 57 14.329 -8.133 4.745 1.00 0.00 H new ATOM 0 HA ALA A 57 12.280 -10.159 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.340 -8.375 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.552 -7.830 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.709 -7.321 3.155 1.00 0.00 H new ATOM 876 N PRO A 58 12.949 -10.803 1.827 1.00 0.00 N ATOM 877 CA PRO A 58 13.469 -11.377 0.582 1.00 0.00 C ATOM 878 C PRO A 58 13.434 -10.382 -0.573 1.00 0.00 C ATOM 879 O PRO A 58 14.259 -10.446 -1.485 1.00 0.00 O ATOM 880 CB PRO A 58 12.521 -12.548 0.308 1.00 0.00 C ATOM 881 CG PRO A 58 11.253 -12.177 0.996 1.00 0.00 C ATOM 882 CD PRO A 58 11.655 -11.392 2.213 1.00 0.00 C ATOM 0 HA PRO A 58 14.515 -11.670 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.365 -12.689 -0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.924 -13.483 0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.614 -11.583 0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.686 -13.065 1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.921 -10.624 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.750 -12.032 3.090 1.00 0.00 H new ATOM 890 N ASP A 59 12.475 -9.464 -0.529 1.00 0.00 N ATOM 891 CA ASP A 59 12.334 -8.454 -1.571 1.00 0.00 C ATOM 892 C ASP A 59 12.173 -7.064 -0.964 1.00 0.00 C ATOM 893 O ASP A 59 11.070 -6.628 -0.634 1.00 0.00 O ATOM 894 CB ASP A 59 11.134 -8.776 -2.464 1.00 0.00 C ATOM 895 CG ASP A 59 11.439 -9.865 -3.474 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.410 -9.705 -4.242 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.706 -10.876 -3.496 1.00 0.00 O ATOM 0 H ASP A 59 11.783 -9.398 0.218 1.00 0.00 H new ATOM 0 HA ASP A 59 13.241 -8.463 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.295 -9.087 -1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.824 -7.873 -2.990 1.00 0.00 H new ATOM 902 N PRO A 60 13.299 -6.351 -0.811 1.00 0.00 N ATOM 903 CA PRO A 60 13.309 -5.001 -0.242 1.00 0.00 C ATOM 904 C PRO A 60 12.669 -3.975 -1.171 1.00 0.00 C ATOM 905 O PRO A 60 12.578 -2.794 -0.839 1.00 0.00 O ATOM 906 CB PRO A 60 14.799 -4.703 -0.062 1.00 0.00 C ATOM 907 CG PRO A 60 15.482 -5.562 -1.069 1.00 0.00 C ATOM 908 CD PRO A 60 14.648 -6.809 -1.183 1.00 0.00 C ATOM 0 HA PRO A 60 12.734 -4.944 0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.015 -3.648 -0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.130 -4.939 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.556 -5.053 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.498 -5.799 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.670 -7.216 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.005 -7.594 -0.516 1.00 0.00 H new ATOM 916 N ASN A 61 12.227 -4.435 -2.337 1.00 0.00 N ATOM 917 CA ASN A 61 11.595 -3.556 -3.315 1.00 0.00 C ATOM 918 C ASN A 61 10.176 -4.022 -3.629 1.00 0.00 C ATOM 919 O ASN A 61 9.555 -3.553 -4.583 1.00 0.00 O ATOM 920 CB ASN A 61 12.424 -3.509 -4.600 1.00 0.00 C ATOM 921 CG ASN A 61 13.088 -4.837 -4.908 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.415 -5.844 -5.130 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.416 -4.845 -4.924 1.00 0.00 N ATOM 0 H ASN A 61 12.295 -5.410 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 61 11.543 -2.555 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.782 -3.225 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.188 -2.737 -4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.918 -5.709 -5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.933 -3.987 -4.734 1.00 0.00 H new ATOM 930 N CYS A 62 9.671 -4.946 -2.820 1.00 0.00 N ATOM 931 CA CYS A 62 8.326 -5.476 -3.011 1.00 0.00 C ATOM 932 C CYS A 62 7.522 -5.398 -1.717 1.00 0.00 C ATOM 933 O CYS A 62 8.056 -5.609 -0.628 1.00 0.00 O ATOM 934 CB CYS A 62 8.390 -6.924 -3.499 1.00 0.00 C ATOM 935 SG CYS A 62 6.869 -7.507 -4.285 1.00 0.00 S ATOM 0 H CYS A 62 10.172 -5.344 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 62 7.827 -4.868 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.213 -7.021 -4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.620 -7.571 -2.653 1.00 0.00 H new ATOM 0 HG CYS A 62 7.022 -8.741 -4.666 1.00 0.00 H new ATOM 941 N VAL A 63 6.234 -5.093 -1.843 1.00 0.00 N ATOM 942 CA VAL A 63 5.356 -4.986 -0.684 1.00 0.00 C ATOM 943 C VAL A 63 4.210 -5.988 -0.769 1.00 0.00 C ATOM 944 O VAL A 63 3.820 -6.412 -1.857 1.00 0.00 O ATOM 945 CB VAL A 63 4.774 -3.567 -0.550 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.889 -2.546 -0.379 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.912 -3.229 -1.757 1.00 0.00 C ATOM 0 H VAL A 63 5.776 -4.916 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 63 5.963 -5.206 0.194 1.00 0.00 H new ATOM 0 HB VAL A 63 4.144 -3.534 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.458 -1.549 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.461 -2.779 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.547 -2.577 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.509 -2.223 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.517 -3.279 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.091 -3.943 -1.829 1.00 0.00 H new ATOM 957 N THR A 64 3.673 -6.363 0.388 1.00 0.00 N ATOM 958 CA THR A 64 2.571 -7.315 0.445 1.00 0.00 C ATOM 959 C THR A 64 1.294 -6.649 0.945 1.00 0.00 C ATOM 960 O THR A 64 1.135 -6.407 2.141 1.00 0.00 O ATOM 961 CB THR A 64 2.907 -8.508 1.361 1.00 0.00 C ATOM 962 OG1 THR A 64 4.073 -9.183 0.878 1.00 0.00 O ATOM 963 CG2 THR A 64 1.741 -9.483 1.429 1.00 0.00 C ATOM 0 H THR A 64 3.983 -6.022 1.298 1.00 0.00 H new ATOM 0 HA THR A 64 2.414 -7.678 -0.571 1.00 0.00 H new ATOM 0 HB THR A 64 3.099 -8.126 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.281 -9.939 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.001 -10.317 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.863 -8.973 1.825 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.522 -9.859 0.430 1.00 0.00 H new ATOM 971 N VAL A 65 0.384 -6.357 0.020 1.00 0.00 N ATOM 972 CA VAL A 65 -0.881 -5.720 0.367 1.00 0.00 C ATOM 973 C VAL A 65 -1.953 -6.759 0.672 1.00 0.00 C ATOM 974 O VAL A 65 -2.260 -7.615 -0.159 1.00 0.00 O ATOM 975 CB VAL A 65 -1.377 -4.803 -0.767 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.718 -4.183 -0.404 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.347 -3.726 -1.070 1.00 0.00 C ATOM 0 H VAL A 65 0.500 -6.551 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.699 -5.118 1.257 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.513 -5.406 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.053 -3.538 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.452 -4.972 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.612 -3.593 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.714 -3.087 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.176 -3.124 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.589 -4.193 -1.377 1.00 0.00 H new ATOM 987 N THR A 66 -2.523 -6.680 1.871 1.00 0.00 N ATOM 988 CA THR A 66 -3.561 -7.614 2.287 1.00 0.00 C ATOM 989 C THR A 66 -4.949 -7.016 2.091 1.00 0.00 C ATOM 990 O THR A 66 -5.128 -5.800 2.162 1.00 0.00 O ATOM 991 CB THR A 66 -3.393 -8.019 3.764 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.004 -8.172 4.075 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.129 -9.318 4.055 1.00 0.00 C ATOM 0 H THR A 66 -2.283 -5.978 2.571 1.00 0.00 H new ATOM 0 HA THR A 66 -3.458 -8.500 1.661 1.00 0.00 H new ATOM 0 HB THR A 66 -3.819 -7.231 4.385 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.588 -7.289 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.996 -9.584 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.191 -9.190 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.728 -10.112 3.425 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.931 -7.878 1.844 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.292 -7.415 1.642 1.00 0.00 C ATOM 1003 C GLY A 67 -7.947 -8.050 0.432 1.00 0.00 C ATOM 1004 O GLY A 67 -7.286 -8.728 -0.357 1.00 0.00 O ATOM 0 H GLY A 67 -5.808 -8.889 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.884 -7.637 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.290 -6.331 1.523 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.249 -7.833 0.284 1.00 0.00 N ATOM 1009 CA LEU A 68 -9.994 -8.391 -0.839 1.00 0.00 C ATOM 1010 C LEU A 68 -9.343 -8.016 -2.166 1.00 0.00 C ATOM 1011 O LEU A 68 -8.639 -7.011 -2.278 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.442 -7.897 -0.811 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.326 -8.471 0.297 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.542 -9.962 0.088 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.709 -8.206 1.662 1.00 0.00 C ATOM 0 H LEU A 68 -9.811 -7.275 0.927 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.984 -9.477 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.433 -6.811 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.902 -8.128 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.296 -7.975 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.173 -10.354 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.028 -10.128 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.580 -10.474 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.351 -8.621 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.727 -8.675 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.606 -7.131 1.812 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.583 -8.839 -3.197 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.031 -8.613 -4.536 1.00 0.00 C ATOM 1029 C PRO A 69 -9.659 -7.407 -5.226 1.00 0.00 C ATOM 1030 O PRO A 69 -9.135 -6.907 -6.221 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.380 -9.900 -5.287 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.577 -10.437 -4.581 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.412 -10.054 -3.136 1.00 0.00 C ATOM 0 HA PRO A 69 -7.963 -8.398 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.596 -9.700 -6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.553 -10.610 -5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.494 -10.017 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.643 -11.519 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.373 -9.861 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.925 -10.844 -2.564 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.784 -6.944 -4.691 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.483 -5.796 -5.256 1.00 0.00 C ATOM 1043 C GLU A 70 -10.986 -4.495 -4.633 1.00 0.00 C ATOM 1044 O GLU A 70 -10.993 -3.445 -5.274 1.00 0.00 O ATOM 1045 CB GLU A 70 -12.992 -5.933 -5.042 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.406 -5.890 -3.580 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.908 -5.795 -3.402 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.586 -6.839 -3.507 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.407 -4.676 -3.156 1.00 0.00 O ATOM 0 H GLU A 70 -11.231 -7.346 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.276 -5.768 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.501 -5.132 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.329 -6.873 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.040 -6.785 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.932 -5.036 -3.097 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.555 -4.574 -3.378 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.055 -3.403 -2.667 1.00 0.00 C ATOM 1058 C ASN A 71 -8.562 -3.212 -2.915 1.00 0.00 C ATOM 1059 O ASN A 71 -8.106 -2.106 -3.205 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.322 -3.539 -1.167 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.791 -3.390 -0.824 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.497 -2.569 -1.411 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.260 -4.186 0.129 1.00 0.00 N ATOM 0 H ASN A 71 -10.542 -5.436 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.582 -2.527 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.969 -4.512 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.748 -2.785 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.241 -4.132 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.639 -4.852 0.589 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.805 -4.299 -2.799 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.363 -4.253 -3.012 1.00 0.00 C ATOM 1072 C VAL A 72 -6.026 -3.596 -4.346 1.00 0.00 C ATOM 1073 O VAL A 72 -5.347 -2.571 -4.389 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.745 -5.663 -2.974 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.275 -5.612 -3.362 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.921 -6.285 -1.597 1.00 0.00 C ATOM 0 H VAL A 72 -8.166 -5.222 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.941 -3.659 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.266 -6.289 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.855 -6.617 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.179 -5.211 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.736 -4.971 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.478 -7.281 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.428 -5.662 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.983 -6.358 -1.364 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.505 -4.195 -5.432 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.252 -3.668 -6.768 1.00 0.00 C ATOM 1088 C GLU A 73 -6.276 -2.143 -6.764 1.00 0.00 C ATOM 1089 O GLU A 73 -5.412 -1.497 -7.356 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.291 -4.203 -7.756 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.705 -3.722 -7.473 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.742 -4.426 -8.325 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.591 -5.643 -8.561 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.706 -3.759 -8.757 1.00 0.00 O ATOM 0 H GLU A 73 -7.070 -5.044 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.261 -3.998 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.009 -3.902 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.275 -5.293 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.936 -3.883 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.762 -2.648 -7.651 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.273 -1.574 -6.093 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.410 -0.124 -6.014 1.00 0.00 C ATOM 1103 C GLU A 74 -6.253 0.490 -5.233 1.00 0.00 C ATOM 1104 O GLU A 74 -5.607 1.431 -5.695 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.740 0.249 -5.356 1.00 0.00 C ATOM 1106 CG GLU A 74 -9.957 -0.251 -6.115 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.244 0.402 -5.650 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.433 0.531 -4.422 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -12.061 0.784 -6.513 1.00 0.00 O ATOM 0 H GLU A 74 -7.997 -2.094 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.391 0.273 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.761 -0.157 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.799 1.334 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.821 -0.059 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.038 -1.331 -5.994 1.00 0.00 H new ATOM 1116 N ALA A 75 -5.996 -0.049 -4.045 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.916 0.444 -3.199 1.00 0.00 C ATOM 1118 C ALA A 75 -3.615 0.565 -3.985 1.00 0.00 C ATOM 1119 O ALA A 75 -2.948 1.600 -3.943 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.726 -0.471 -1.999 1.00 0.00 C ATOM 0 H ALA A 75 -6.521 -0.827 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.190 1.438 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.916 -0.091 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.647 -0.504 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.478 -1.475 -2.343 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.260 -0.497 -4.700 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.039 -0.508 -5.496 1.00 0.00 C ATOM 1128 C ILE A 76 -1.964 0.714 -6.405 1.00 0.00 C ATOM 1129 O ILE A 76 -0.956 1.421 -6.430 1.00 0.00 O ATOM 1130 CB ILE A 76 -1.939 -1.781 -6.356 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -1.981 -3.027 -5.469 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.666 -1.760 -7.189 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.145 -4.316 -6.245 1.00 0.00 C ATOM 0 H ILE A 76 -3.800 -1.361 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.205 -0.487 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.792 -1.811 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.062 -3.078 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.804 -2.931 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.610 -2.667 -7.791 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.674 -0.889 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.200 -1.709 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.167 -5.157 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.078 -4.285 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.309 -4.435 -6.934 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.037 0.958 -7.149 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.094 2.096 -8.058 1.00 0.00 C ATOM 1147 C ASP A 77 -2.685 3.382 -7.346 1.00 0.00 C ATOM 1148 O ASP A 77 -1.973 4.215 -7.906 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.503 2.245 -8.635 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.563 3.256 -9.763 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.982 4.351 -9.609 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.193 2.955 -10.798 1.00 0.00 O ATOM 0 H ASP A 77 -3.879 0.383 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.393 1.914 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.847 1.277 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.187 2.548 -7.842 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.142 3.537 -6.107 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.824 4.722 -5.318 1.00 0.00 C ATOM 1159 C HIS A 78 -1.362 4.707 -4.880 1.00 0.00 C ATOM 1160 O HIS A 78 -0.721 5.754 -4.791 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.735 4.804 -4.092 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.474 6.001 -3.231 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.387 7.021 -3.065 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.396 6.338 -2.485 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.881 7.934 -2.255 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.674 7.543 -1.889 1.00 0.00 N ATOM 0 H HIS A 78 -3.733 2.857 -5.628 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.989 5.600 -5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.774 4.824 -4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.608 3.902 -3.494 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.309 7.064 -3.500 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.486 5.765 -2.378 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.371 8.845 -1.945 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.844 3.514 -4.608 1.00 0.00 N ATOM 1175 CA ILE A 79 0.542 3.364 -4.180 1.00 0.00 C ATOM 1176 C ILE A 79 1.506 3.744 -5.298 1.00 0.00 C ATOM 1177 O ILE A 79 2.346 4.630 -5.133 1.00 0.00 O ATOM 1178 CB ILE A 79 0.838 1.921 -3.730 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.017 1.572 -2.487 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.325 1.747 -3.455 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.002 0.094 -2.168 1.00 0.00 C ATOM 0 H ILE A 79 -1.362 2.638 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 79 0.687 4.037 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 79 0.554 1.240 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.418 2.116 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.008 1.915 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.519 0.722 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.890 1.959 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.632 2.435 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.599 -0.079 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.427 -0.455 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.021 -0.251 -1.992 1.00 0.00 H new ATOM 1193 N LEU A 80 1.380 3.071 -6.436 1.00 0.00 N ATOM 1194 CA LEU A 80 2.240 3.339 -7.583 1.00 0.00 C ATOM 1195 C LEU A 80 2.125 4.796 -8.021 1.00 0.00 C ATOM 1196 O LEU A 80 3.100 5.399 -8.465 1.00 0.00 O ATOM 1197 CB LEU A 80 1.875 2.415 -8.746 1.00 0.00 C ATOM 1198 CG LEU A 80 2.586 1.061 -8.777 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.839 0.086 -9.673 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.024 1.225 -9.247 1.00 0.00 C ATOM 0 H LEU A 80 0.690 2.335 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 80 3.271 3.148 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.800 2.238 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.089 2.936 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 80 2.599 0.656 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.360 -0.872 -9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.827 -0.055 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.794 0.485 -10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.515 0.252 -9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.033 1.652 -10.250 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.556 1.889 -8.565 1.00 0.00 H new ATOM 1212 N ASN A 81 0.926 5.354 -7.891 1.00 0.00 N ATOM 1213 CA ASN A 81 0.683 6.741 -8.272 1.00 0.00 C ATOM 1214 C ASN A 81 1.665 7.677 -7.573 1.00 0.00 C ATOM 1215 O ASN A 81 2.235 8.574 -8.195 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.753 7.142 -7.929 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.915 8.643 -7.787 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.251 9.419 -8.475 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.802 9.060 -6.890 1.00 0.00 N ATOM 0 H ASN A 81 0.108 4.868 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 81 0.830 6.827 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.425 6.779 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.051 6.657 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.955 10.059 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.330 8.381 -6.342 1.00 0.00 H new ATOM 1226 N LEU A 82 1.858 7.461 -6.276 1.00 0.00 N ATOM 1227 CA LEU A 82 2.772 8.284 -5.492 1.00 0.00 C ATOM 1228 C LEU A 82 4.223 7.910 -5.777 1.00 0.00 C ATOM 1229 O LEU A 82 5.117 8.753 -5.701 1.00 0.00 O ATOM 1230 CB LEU A 82 2.477 8.127 -3.999 1.00 0.00 C ATOM 1231 CG LEU A 82 1.029 8.368 -3.572 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.822 7.950 -2.124 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.653 9.830 -3.765 1.00 0.00 C ATOM 0 H LEU A 82 1.394 6.723 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 82 2.622 9.325 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.761 7.119 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.117 8.817 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 82 0.379 7.759 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.215 8.129 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.050 6.890 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.482 8.531 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.381 9.984 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.309 10.457 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.761 10.098 -4.816 1.00 0.00 H new ATOM 1245 N GLU A 83 4.448 6.643 -6.108 1.00 0.00 N ATOM 1246 CA GLU A 83 5.791 6.159 -6.406 1.00 0.00 C ATOM 1247 C GLU A 83 6.470 7.044 -7.448 1.00 0.00 C ATOM 1248 O GLU A 83 7.578 7.534 -7.233 1.00 0.00 O ATOM 1249 CB GLU A 83 5.737 4.714 -6.906 1.00 0.00 C ATOM 1250 CG GLU A 83 7.107 4.096 -7.130 1.00 0.00 C ATOM 1251 CD GLU A 83 7.069 2.928 -8.096 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.966 3.171 -9.317 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.142 1.771 -7.632 1.00 0.00 O ATOM 0 H GLU A 83 3.719 5.933 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 83 6.375 6.196 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.188 4.109 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.176 4.682 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.787 4.857 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.510 3.760 -6.175 1.00 0.00 H new ATOM 1260 N GLU A 84 5.795 7.243 -8.576 1.00 0.00 N ATOM 1261 CA GLU A 84 6.334 8.067 -9.652 1.00 0.00 C ATOM 1262 C GLU A 84 6.425 9.529 -9.223 1.00 0.00 C ATOM 1263 O GLU A 84 7.434 10.193 -9.458 1.00 0.00 O ATOM 1264 CB GLU A 84 5.462 7.945 -10.903 1.00 0.00 C ATOM 1265 CG GLU A 84 5.989 8.732 -12.091 1.00 0.00 C ATOM 1266 CD GLU A 84 5.710 10.218 -11.977 1.00 0.00 C ATOM 1267 OE1 GLU A 84 4.609 10.581 -11.513 1.00 0.00 O ATOM 1268 OE2 GLU A 84 6.593 11.018 -12.353 1.00 0.00 O ATOM 0 H GLU A 84 4.875 6.846 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 84 7.338 7.710 -9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.384 6.894 -11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.455 8.289 -10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.064 8.574 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.535 8.350 -13.005 1.00 0.00 H new ATOM 1275 N GLU A 85 5.364 10.023 -8.593 1.00 0.00 N ATOM 1276 CA GLU A 85 5.324 11.406 -8.133 1.00 0.00 C ATOM 1277 C GLU A 85 6.563 11.740 -7.308 1.00 0.00 C ATOM 1278 O GLU A 85 7.110 12.839 -7.406 1.00 0.00 O ATOM 1279 CB GLU A 85 4.063 11.654 -7.303 1.00 0.00 C ATOM 1280 CG GLU A 85 4.035 13.017 -6.632 1.00 0.00 C ATOM 1281 CD GLU A 85 2.745 13.269 -5.875 1.00 0.00 C ATOM 1282 OE1 GLU A 85 1.664 13.129 -6.484 1.00 0.00 O ATOM 1283 OE2 GLU A 85 2.817 13.604 -4.675 1.00 0.00 O ATOM 0 H GLU A 85 4.521 9.486 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 85 5.306 12.054 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.189 11.557 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.983 10.881 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.877 13.096 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.166 13.792 -7.387 1.00 0.00 H new ATOM 1290 N TYR A 86 7.000 10.786 -6.494 1.00 0.00 N ATOM 1291 CA TYR A 86 8.173 10.979 -5.649 1.00 0.00 C ATOM 1292 C TYR A 86 9.458 10.839 -6.460 1.00 0.00 C ATOM 1293 O TYR A 86 10.360 11.672 -6.366 1.00 0.00 O ATOM 1294 CB TYR A 86 8.170 9.971 -4.499 1.00 0.00 C ATOM 1295 CG TYR A 86 7.234 10.343 -3.371 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.316 11.584 -2.753 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.266 9.451 -2.924 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.463 11.927 -1.722 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.408 9.786 -1.894 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.510 11.025 -1.297 1.00 0.00 C ATOM 1301 OH TYR A 86 4.658 11.364 -0.271 1.00 0.00 O ATOM 0 H TYR A 86 6.560 9.871 -6.401 1.00 0.00 H new ATOM 0 HA TYR A 86 8.132 11.988 -5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.888 8.992 -4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.182 9.879 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.060 12.293 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.183 8.480 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.542 12.896 -1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.662 9.081 -1.558 1.00 0.00 H new ATOM 0 HH TYR A 86 4.884 10.843 0.528 1.00 0.00 H new ATOM 1311 N LEU A 87 9.534 9.778 -7.257 1.00 0.00 N ATOM 1312 CA LEU A 87 10.707 9.527 -8.086 1.00 0.00 C ATOM 1313 C LEU A 87 11.073 10.763 -8.901 1.00 0.00 C ATOM 1314 O LEU A 87 12.246 11.112 -9.025 1.00 0.00 O ATOM 1315 CB LEU A 87 10.452 8.343 -9.020 1.00 0.00 C ATOM 1316 CG LEU A 87 10.768 6.959 -8.451 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.207 5.870 -9.353 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.269 6.785 -8.273 1.00 0.00 C ATOM 0 H LEU A 87 8.797 9.078 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 87 11.542 9.289 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.404 8.360 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.043 8.486 -9.925 1.00 0.00 H new ATOM 0 HG LEU A 87 10.294 6.873 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.442 4.892 -8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.125 5.982 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.651 5.954 -10.345 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.475 5.795 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.765 6.892 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.644 7.544 -7.586 1.00 0.00 H new ATOM 1330 N ALA A 88 10.060 11.422 -9.454 1.00 0.00 N ATOM 1331 CA ALA A 88 10.274 12.621 -10.254 1.00 0.00 C ATOM 1332 C ALA A 88 11.312 13.533 -9.609 1.00 0.00 C ATOM 1333 O ALA A 88 12.122 14.153 -10.299 1.00 0.00 O ATOM 1334 CB ALA A 88 8.962 13.367 -10.448 1.00 0.00 C ATOM 0 H ALA A 88 9.083 11.145 -9.362 1.00 0.00 H new ATOM 0 HA ALA A 88 10.653 12.314 -11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.137 14.261 -11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.248 12.721 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.560 13.655 -9.477 1.00 0.00 H new ATOM 1340 N ASP A 89 11.284 13.609 -8.283 1.00 0.00 N ATOM 1341 CA ASP A 89 12.223 14.445 -7.545 1.00 0.00 C ATOM 1342 C ASP A 89 12.950 13.634 -6.478 1.00 0.00 C ATOM 1343 O ASP A 89 13.154 14.103 -5.358 1.00 0.00 O ATOM 1344 CB ASP A 89 11.492 15.623 -6.898 1.00 0.00 C ATOM 1345 CG ASP A 89 12.433 16.748 -6.515 1.00 0.00 C ATOM 1346 OD1 ASP A 89 13.615 16.463 -6.233 1.00 0.00 O ATOM 1347 OD2 ASP A 89 11.986 17.915 -6.495 1.00 0.00 O ATOM 0 H ASP A 89 10.621 13.102 -7.697 1.00 0.00 H new ATOM 0 HA ASP A 89 12.961 14.829 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.738 16.003 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.965 15.276 -6.009 1.00 0.00 H new ATOM 1352 N SER A 90 13.337 12.412 -6.832 1.00 0.00 N ATOM 1353 CA SER A 90 14.037 11.533 -5.902 1.00 0.00 C ATOM 1354 C SER A 90 14.843 10.478 -6.655 1.00 0.00 C ATOM 1355 O SER A 90 14.281 9.595 -7.301 1.00 0.00 O ATOM 1356 CB SER A 90 13.041 10.854 -4.961 1.00 0.00 C ATOM 1357 OG SER A 90 13.672 10.440 -3.762 1.00 0.00 O ATOM 0 H SER A 90 13.178 12.009 -7.755 1.00 0.00 H new ATOM 0 HA SER A 90 14.725 12.140 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.228 11.542 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.596 9.992 -5.458 1.00 0.00 H new ATOM 0 HG SER A 90 13.013 10.011 -3.177 1.00 0.00 H new ATOM 1363 N GLY A 91 16.166 10.578 -6.565 1.00 0.00 N ATOM 1364 CA GLY A 91 17.029 9.627 -7.242 1.00 0.00 C ATOM 1365 C GLY A 91 18.410 10.190 -7.515 1.00 0.00 C ATOM 1366 O GLY A 91 18.617 11.404 -7.527 1.00 0.00 O ATOM 0 H GLY A 91 16.655 11.300 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.121 8.727 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.568 9.330 -8.184 1.00 0.00 H new ATOM 1370 N PRO A 92 19.384 9.296 -7.739 1.00 0.00 N ATOM 1371 CA PRO A 92 20.769 9.687 -8.016 1.00 0.00 C ATOM 1372 C PRO A 92 20.924 10.344 -9.383 1.00 0.00 C ATOM 1373 O PRO A 92 20.322 9.907 -10.364 1.00 0.00 O ATOM 1374 CB PRO A 92 21.528 8.358 -7.973 1.00 0.00 C ATOM 1375 CG PRO A 92 20.506 7.327 -8.304 1.00 0.00 C ATOM 1376 CD PRO A 92 19.208 7.834 -7.740 1.00 0.00 C ATOM 0 HA PRO A 92 21.134 10.426 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 92 22.348 8.347 -8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 92 21.963 8.182 -6.989 1.00 0.00 H new ATOM 0 HG2 PRO A 92 20.433 7.182 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.770 6.363 -7.870 1.00 0.00 H new ATOM 0 HD2 PRO A 92 18.359 7.532 -8.353 1.00 0.00 H new ATOM 0 HD3 PRO A 92 19.029 7.450 -6.736 1.00 0.00 H new ATOM 1384 N SER A 93 21.734 11.396 -9.441 1.00 0.00 N ATOM 1385 CA SER A 93 21.964 12.116 -10.688 1.00 0.00 C ATOM 1386 C SER A 93 23.325 12.805 -10.674 1.00 0.00 C ATOM 1387 O SER A 93 23.922 13.003 -9.616 1.00 0.00 O ATOM 1388 CB SER A 93 20.859 13.149 -10.918 1.00 0.00 C ATOM 1389 OG SER A 93 20.778 13.514 -12.285 1.00 0.00 O ATOM 0 H SER A 93 22.242 11.769 -8.639 1.00 0.00 H new ATOM 0 HA SER A 93 21.950 11.393 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 93 19.903 12.742 -10.590 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.053 14.035 -10.313 1.00 0.00 H new ATOM 0 HG SER A 93 20.063 14.174 -12.406 1.00 0.00 H new ATOM 1395 N SER A 94 23.810 13.167 -11.857 1.00 0.00 N ATOM 1396 CA SER A 94 25.103 13.831 -11.983 1.00 0.00 C ATOM 1397 C SER A 94 25.282 14.883 -10.893 1.00 0.00 C ATOM 1398 O SER A 94 24.378 15.674 -10.623 1.00 0.00 O ATOM 1399 CB SER A 94 25.234 14.481 -13.362 1.00 0.00 C ATOM 1400 OG SER A 94 25.318 13.501 -14.382 1.00 0.00 O ATOM 0 H SER A 94 23.328 13.012 -12.742 1.00 0.00 H new ATOM 0 HA SER A 94 25.883 13.078 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.376 15.128 -13.545 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.122 15.113 -13.387 1.00 0.00 H new ATOM 0 HG SER A 94 25.399 13.942 -15.253 1.00 0.00 H new ATOM 1406 N GLY A 95 26.455 14.886 -10.268 1.00 0.00 N ATOM 1407 CA GLY A 95 26.733 15.844 -9.214 1.00 0.00 C ATOM 1408 C GLY A 95 27.144 15.177 -7.917 1.00 0.00 C ATOM 1409 O GLY A 95 28.329 15.114 -7.592 1.00 0.00 O ATOM 0 H GLY A 95 27.219 14.241 -10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 95 27.526 16.518 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 95 25.847 16.455 -9.040 1.00 0.00 H new TER 1413 GLY A 95