USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 27:sc= 1.05 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.6!) USER MOD Single : A 21 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.079) USER MOD Single : A 23 MET CE :methyl 156:sc= -1.87 (180deg=-3.22!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= 0.127 (180deg=-0.607) USER MOD Single : A 35 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.747 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc=-0.000282 K(o=-0.00028,f=-1.5) USER MOD Single : A 65 SER OG : rot -150:sc= -3.66! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -2.67 USER MOD Single : A 76 GLN : amide:sc= -7.83! C(o=-7.8!,f=-8.8!) USER MOD Single : A 83 MET CE :methyl -128:sc= -7.2! (180deg=-13.3!) USER MOD Single : A 84 THR OG1 : rot 78:sc= -0.165 USER MOD Single : A 86 THR OG1 : rot -80:sc= -3.47! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 73:sc= 1.04 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.674 -21.216 -29.402 1.00 0.00 N ATOM 2 CA GLY A 1 -11.882 -19.920 -28.778 1.00 0.00 C ATOM 3 C GLY A 1 -12.201 -20.074 -27.289 1.00 0.00 C ATOM 4 O GLY A 1 -13.358 -20.259 -26.914 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.459 -21.085 -30.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.879 -21.701 -28.939 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.535 -21.791 -29.303 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.990 -19.306 -28.901 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.699 -19.399 -29.277 1.00 0.00 H new ATOM 8 N PRO A 2 -11.127 -19.987 -26.459 1.00 0.00 N ATOM 9 CA PRO A 2 -11.283 -20.114 -25.019 1.00 0.00 C ATOM 10 C PRO A 2 -11.893 -18.845 -24.420 1.00 0.00 C ATOM 11 O PRO A 2 -12.119 -17.866 -25.129 1.00 0.00 O ATOM 12 CB PRO A 2 -9.886 -20.405 -24.498 1.00 0.00 C ATOM 13 CG PRO A 2 -8.931 -19.972 -25.598 1.00 0.00 C ATOM 14 CD PRO A 2 -9.744 -19.767 -26.866 1.00 0.00 C ATOM 0 HA PRO A 2 -11.973 -20.910 -24.738 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.692 -19.858 -23.575 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.767 -21.465 -24.272 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.420 -19.051 -25.319 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.162 -20.728 -25.756 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.604 -18.763 -27.268 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.445 -20.467 -27.646 1.00 0.00 H new ATOM 22 N LEU A 3 -12.141 -18.904 -23.119 1.00 0.00 N ATOM 23 CA LEU A 3 -12.720 -17.771 -22.415 1.00 0.00 C ATOM 24 C LEU A 3 -12.312 -17.830 -20.943 1.00 0.00 C ATOM 25 O LEU A 3 -11.965 -18.894 -20.432 1.00 0.00 O ATOM 26 CB LEU A 3 -14.233 -17.722 -22.634 1.00 0.00 C ATOM 27 CG LEU A 3 -14.730 -16.711 -23.669 1.00 0.00 C ATOM 28 CD1 LEU A 3 -15.249 -17.418 -24.922 1.00 0.00 C ATOM 29 CD2 LEU A 3 -15.779 -15.777 -23.063 1.00 0.00 C ATOM 0 H LEU A 3 -11.952 -19.718 -22.534 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.333 -16.834 -22.815 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.569 -18.714 -22.935 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.711 -17.500 -21.680 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.886 -16.093 -23.975 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.596 -16.676 -25.641 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.446 -18.006 -25.367 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.075 -18.076 -24.653 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.116 -15.068 -23.820 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.628 -16.363 -22.711 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.342 -15.233 -22.226 1.00 0.00 H new ATOM 41 N GLY A 4 -12.367 -16.672 -20.300 1.00 0.00 N ATOM 42 CA GLY A 4 -12.008 -16.578 -18.896 1.00 0.00 C ATOM 43 C GLY A 4 -10.535 -16.929 -18.682 1.00 0.00 C ATOM 44 O GLY A 4 -9.654 -16.111 -18.943 1.00 0.00 O ATOM 0 H GLY A 4 -12.655 -15.791 -20.726 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.201 -15.568 -18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.635 -17.251 -18.311 1.00 0.00 H new ATOM 48 N SER A 5 -10.313 -18.147 -18.209 1.00 0.00 N ATOM 49 CA SER A 5 -8.961 -18.617 -17.957 1.00 0.00 C ATOM 50 C SER A 5 -8.421 -17.992 -16.668 1.00 0.00 C ATOM 51 O SER A 5 -7.804 -16.928 -16.699 1.00 0.00 O ATOM 52 CB SER A 5 -8.037 -18.291 -19.131 1.00 0.00 C ATOM 53 OG SER A 5 -7.134 -19.356 -19.411 1.00 0.00 O ATOM 0 H SER A 5 -11.046 -18.822 -17.994 1.00 0.00 H new ATOM 0 HA SER A 5 -8.992 -19.701 -17.843 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.637 -18.082 -20.017 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.472 -17.386 -18.907 1.00 0.00 H new ATOM 0 HG SER A 5 -6.562 -19.110 -20.168 1.00 0.00 H new ATOM 59 N LEU A 6 -8.674 -18.681 -15.564 1.00 0.00 N ATOM 60 CA LEU A 6 -8.221 -18.208 -14.267 1.00 0.00 C ATOM 61 C LEU A 6 -8.705 -16.771 -14.055 1.00 0.00 C ATOM 62 O LEU A 6 -9.386 -16.210 -14.912 1.00 0.00 O ATOM 63 CB LEU A 6 -6.707 -18.371 -14.135 1.00 0.00 C ATOM 64 CG LEU A 6 -6.220 -19.720 -13.600 1.00 0.00 C ATOM 65 CD1 LEU A 6 -6.713 -19.951 -12.170 1.00 0.00 C ATOM 66 CD2 LEU A 6 -6.626 -20.860 -14.537 1.00 0.00 C ATOM 0 H LEU A 6 -9.187 -19.563 -15.541 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.654 -18.812 -13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.257 -18.208 -15.114 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.333 -17.586 -13.478 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.131 -19.702 -13.567 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.354 -20.916 -11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.334 -19.160 -11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.803 -19.941 -12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.268 -21.807 -14.134 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.712 -20.890 -14.624 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.188 -20.696 -15.521 1.00 0.00 H new ATOM 78 N ARG A 7 -8.332 -16.218 -12.911 1.00 0.00 N ATOM 79 CA ARG A 7 -8.720 -14.858 -12.576 1.00 0.00 C ATOM 80 C ARG A 7 -7.492 -14.042 -12.166 1.00 0.00 C ATOM 81 O ARG A 7 -6.390 -14.579 -12.070 1.00 0.00 O ATOM 82 CB ARG A 7 -9.742 -14.839 -11.438 1.00 0.00 C ATOM 83 CG ARG A 7 -9.162 -15.474 -10.173 1.00 0.00 C ATOM 84 CD ARG A 7 -10.037 -16.633 -9.690 1.00 0.00 C ATOM 85 NE ARG A 7 -9.459 -17.228 -8.464 1.00 0.00 N ATOM 86 CZ ARG A 7 -9.891 -18.368 -7.905 1.00 0.00 C ATOM 87 NH1 ARG A 7 -10.909 -19.040 -8.458 1.00 0.00 N ATOM 88 NH2 ARG A 7 -9.305 -18.832 -6.794 1.00 0.00 N ATOM 0 H ARG A 7 -7.765 -16.686 -12.204 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.175 -14.416 -13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.041 -13.812 -11.230 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.640 -15.377 -11.741 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.153 -15.834 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.083 -14.722 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.048 -16.277 -9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.114 -17.390 -10.470 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.683 -16.740 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.355 -18.685 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.238 -19.907 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.531 -18.318 -6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.633 -19.699 -6.368 1.00 0.00 H new ATOM 102 N LYS A 8 -7.726 -12.758 -11.932 1.00 0.00 N ATOM 103 CA LYS A 8 -6.652 -11.864 -11.534 1.00 0.00 C ATOM 104 C LYS A 8 -6.397 -12.018 -10.032 1.00 0.00 C ATOM 105 O LYS A 8 -6.711 -13.055 -9.450 1.00 0.00 O ATOM 106 CB LYS A 8 -6.966 -10.429 -11.961 1.00 0.00 C ATOM 107 CG LYS A 8 -5.823 -9.842 -12.793 1.00 0.00 C ATOM 108 CD LYS A 8 -6.321 -8.694 -13.673 1.00 0.00 C ATOM 109 CE LYS A 8 -5.298 -8.351 -14.757 1.00 0.00 C ATOM 110 NZ LYS A 8 -4.471 -7.195 -14.345 1.00 0.00 N ATOM 0 H LYS A 8 -8.642 -12.317 -12.010 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.725 -12.129 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.889 -10.412 -12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.133 -9.811 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.034 -9.483 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.386 -10.621 -13.418 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.268 -8.971 -14.136 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.512 -7.815 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.659 -9.213 -14.947 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.812 -8.123 -15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.782 -6.977 -15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.083 -6.369 -14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.966 -7.426 -13.466 1.00 0.00 H new ATOM 124 N GLU A 9 -5.831 -10.970 -9.450 1.00 0.00 N ATOM 125 CA GLU A 9 -5.531 -10.978 -8.029 1.00 0.00 C ATOM 126 C GLU A 9 -4.796 -9.694 -7.637 1.00 0.00 C ATOM 127 O GLU A 9 -5.251 -8.956 -6.763 1.00 0.00 O ATOM 128 CB GLU A 9 -4.717 -12.215 -7.646 1.00 0.00 C ATOM 129 CG GLU A 9 -5.539 -13.162 -6.771 1.00 0.00 C ATOM 130 CD GLU A 9 -4.834 -14.512 -6.611 1.00 0.00 C ATOM 131 OE1 GLU A 9 -4.056 -14.858 -7.528 1.00 0.00 O ATOM 132 OE2 GLU A 9 -5.089 -15.167 -5.579 1.00 0.00 O ATOM 0 H GLU A 9 -5.573 -10.111 -9.936 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.471 -11.020 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.394 -12.736 -8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.816 -11.911 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.697 -12.712 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.523 -13.312 -7.216 1.00 0.00 H new ATOM 139 N PRO A 10 -3.643 -9.461 -8.318 1.00 0.00 N ATOM 140 CA PRO A 10 -2.842 -8.279 -8.050 1.00 0.00 C ATOM 141 C PRO A 10 -3.488 -7.029 -8.648 1.00 0.00 C ATOM 142 O PRO A 10 -3.833 -7.008 -9.828 1.00 0.00 O ATOM 143 CB PRO A 10 -1.477 -8.585 -8.647 1.00 0.00 C ATOM 144 CG PRO A 10 -1.699 -9.724 -9.630 1.00 0.00 C ATOM 145 CD PRO A 10 -3.074 -10.310 -9.359 1.00 0.00 C ATOM 0 HA PRO A 10 -2.758 -8.062 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.065 -7.710 -9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.766 -8.871 -7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.634 -9.361 -10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.929 -10.486 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.691 -10.302 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.004 -11.347 -9.030 1.00 0.00 H new ATOM 153 N GLU A 11 -3.636 -6.017 -7.806 1.00 0.00 N ATOM 154 CA GLU A 11 -4.236 -4.766 -8.236 1.00 0.00 C ATOM 155 C GLU A 11 -3.301 -3.595 -7.927 1.00 0.00 C ATOM 156 O GLU A 11 -2.929 -3.380 -6.773 1.00 0.00 O ATOM 157 CB GLU A 11 -5.606 -4.561 -7.585 1.00 0.00 C ATOM 158 CG GLU A 11 -6.534 -3.763 -8.501 1.00 0.00 C ATOM 159 CD GLU A 11 -7.404 -4.694 -9.348 1.00 0.00 C ATOM 160 OE1 GLU A 11 -6.928 -5.080 -10.438 1.00 0.00 O ATOM 161 OE2 GLU A 11 -8.524 -4.999 -8.887 1.00 0.00 O ATOM 0 H GLU A 11 -3.350 -6.038 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.387 -4.810 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.055 -5.529 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.487 -4.037 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.170 -3.111 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.942 -3.120 -9.153 1.00 0.00 H new ATOM 168 N ILE A 12 -2.949 -2.867 -8.977 1.00 0.00 N ATOM 169 CA ILE A 12 -2.065 -1.722 -8.831 1.00 0.00 C ATOM 170 C ILE A 12 -2.900 -0.471 -8.554 1.00 0.00 C ATOM 171 O ILE A 12 -3.659 -0.022 -9.412 1.00 0.00 O ATOM 172 CB ILE A 12 -1.151 -1.592 -10.052 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.117 -0.809 -9.706 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.899 -0.977 -11.235 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.361 -1.514 -10.249 1.00 0.00 C ATOM 0 H ILE A 12 -3.260 -3.047 -9.932 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.402 -1.859 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.840 -2.592 -10.354 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.053 0.196 -10.123 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.199 -0.701 -8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.226 -0.896 -12.089 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.746 -1.610 -11.499 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.259 0.015 -10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.249 -0.937 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.435 -2.510 -9.812 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.287 -1.598 -11.333 1.00 0.00 H new ATOM 187 N ILE A 13 -2.733 0.059 -7.350 1.00 0.00 N ATOM 188 CA ILE A 13 -3.462 1.249 -6.948 1.00 0.00 C ATOM 189 C ILE A 13 -2.481 2.412 -6.790 1.00 0.00 C ATOM 190 O ILE A 13 -1.321 2.207 -6.439 1.00 0.00 O ATOM 191 CB ILE A 13 -4.293 0.972 -5.694 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.854 -0.452 -5.713 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.395 2.020 -5.524 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.851 -0.664 -4.571 1.00 0.00 C ATOM 0 H ILE A 13 -2.103 -0.315 -6.640 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.178 1.535 -7.719 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.639 1.050 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.344 -0.641 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.038 -1.169 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.971 1.800 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.946 3.009 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.054 1.999 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.235 -1.684 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.352 -0.498 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.678 0.039 -4.675 1.00 0.00 H new ATOM 206 N THR A 14 -2.985 3.609 -7.056 1.00 0.00 N ATOM 207 CA THR A 14 -2.166 4.807 -6.947 1.00 0.00 C ATOM 208 C THR A 14 -2.809 5.806 -5.984 1.00 0.00 C ATOM 209 O THR A 14 -3.854 6.380 -6.285 1.00 0.00 O ATOM 210 CB THR A 14 -1.961 5.366 -8.356 1.00 0.00 C ATOM 211 OG1 THR A 14 -3.277 5.700 -8.793 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.497 4.300 -9.350 1.00 0.00 C ATOM 0 H THR A 14 -3.949 3.776 -7.346 1.00 0.00 H new ATOM 0 HA THR A 14 -1.187 4.582 -6.525 1.00 0.00 H new ATOM 0 HB THR A 14 -1.228 6.172 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.840 5.895 -8.015 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.367 4.752 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.549 3.879 -9.016 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.244 3.508 -9.410 1.00 0.00 H new ATOM 220 N VAL A 15 -2.159 5.980 -4.843 1.00 0.00 N ATOM 221 CA VAL A 15 -2.653 6.900 -3.832 1.00 0.00 C ATOM 222 C VAL A 15 -1.944 8.248 -3.984 1.00 0.00 C ATOM 223 O VAL A 15 -0.733 8.341 -3.786 1.00 0.00 O ATOM 224 CB VAL A 15 -2.483 6.288 -2.441 1.00 0.00 C ATOM 225 CG1 VAL A 15 -1.151 6.710 -1.815 1.00 0.00 C ATOM 226 CG2 VAL A 15 -3.656 6.659 -1.532 1.00 0.00 C ATOM 0 H VAL A 15 -1.294 5.499 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.720 7.078 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.474 5.204 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.055 6.261 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.329 6.374 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.119 7.796 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.510 6.211 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.710 7.743 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.584 6.287 -1.966 1.00 0.00 H new ATOM 236 N THR A 16 -2.727 9.257 -4.333 1.00 0.00 N ATOM 237 CA THR A 16 -2.189 10.594 -4.514 1.00 0.00 C ATOM 238 C THR A 16 -2.317 11.401 -3.220 1.00 0.00 C ATOM 239 O THR A 16 -3.097 11.044 -2.338 1.00 0.00 O ATOM 240 CB THR A 16 -2.907 11.236 -5.704 1.00 0.00 C ATOM 241 OG1 THR A 16 -2.783 10.271 -6.745 1.00 0.00 O ATOM 242 CG2 THR A 16 -2.165 12.462 -6.241 1.00 0.00 C ATOM 0 H THR A 16 -3.731 9.176 -4.495 1.00 0.00 H new ATOM 0 HA THR A 16 -1.122 10.564 -4.737 1.00 0.00 H new ATOM 0 HB THR A 16 -3.916 11.523 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.223 10.605 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.715 12.880 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.083 13.211 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.167 12.169 -6.568 1.00 0.00 H new ATOM 250 N LEU A 17 -1.541 12.471 -3.147 1.00 0.00 N ATOM 251 CA LEU A 17 -1.558 13.331 -1.975 1.00 0.00 C ATOM 252 C LEU A 17 -2.471 14.529 -2.242 1.00 0.00 C ATOM 253 O LEU A 17 -2.104 15.441 -2.983 1.00 0.00 O ATOM 254 CB LEU A 17 -0.134 13.717 -1.573 1.00 0.00 C ATOM 255 CG LEU A 17 0.623 12.699 -0.720 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.379 13.390 0.416 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.320 11.609 -0.203 1.00 0.00 C ATOM 0 H LEU A 17 -0.895 12.763 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.972 12.800 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.441 13.899 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.175 14.659 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 17 1.366 12.210 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.909 12.643 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.095 14.098 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.672 13.922 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.243 10.897 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.102 12.063 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.773 11.090 -1.047 1.00 0.00 H new ATOM 269 N LYS A 18 -3.641 14.490 -1.622 1.00 0.00 N ATOM 270 CA LYS A 18 -4.609 15.563 -1.783 1.00 0.00 C ATOM 271 C LYS A 18 -4.346 16.642 -0.731 1.00 0.00 C ATOM 272 O LYS A 18 -4.146 17.808 -1.067 1.00 0.00 O ATOM 273 CB LYS A 18 -6.034 15.009 -1.755 1.00 0.00 C ATOM 274 CG LYS A 18 -7.058 16.113 -2.023 1.00 0.00 C ATOM 275 CD LYS A 18 -8.029 16.257 -0.849 1.00 0.00 C ATOM 276 CE LYS A 18 -9.331 16.926 -1.295 1.00 0.00 C ATOM 277 NZ LYS A 18 -10.449 15.955 -1.269 1.00 0.00 N ATOM 0 H LYS A 18 -3.941 13.733 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.496 16.035 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.137 14.223 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.231 14.553 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.543 17.059 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.613 15.886 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.246 15.275 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.565 16.847 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.557 17.767 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.214 17.328 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.325 16.426 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.238 15.165 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.571 15.591 -0.302 1.00 0.00 H new ATOM 291 N LYS A 19 -4.359 16.217 0.523 1.00 0.00 N ATOM 292 CA LYS A 19 -4.125 17.131 1.629 1.00 0.00 C ATOM 293 C LYS A 19 -2.633 17.459 1.705 1.00 0.00 C ATOM 294 O LYS A 19 -2.212 18.253 2.545 1.00 0.00 O ATOM 295 CB LYS A 19 -4.698 16.560 2.926 1.00 0.00 C ATOM 296 CG LYS A 19 -4.580 17.570 4.067 1.00 0.00 C ATOM 297 CD LYS A 19 -5.411 17.133 5.276 1.00 0.00 C ATOM 298 CE LYS A 19 -6.489 18.167 5.605 1.00 0.00 C ATOM 299 NZ LYS A 19 -5.908 19.303 6.355 1.00 0.00 N ATOM 0 H LYS A 19 -4.528 15.250 0.799 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.650 18.072 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.744 16.292 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.169 15.644 3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.535 17.674 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.915 18.550 3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.877 16.169 5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.759 16.995 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.947 18.528 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.280 17.702 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.654 19.995 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.491 18.956 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.170 19.757 5.780 1.00 0.00 H new ATOM 313 N GLN A 20 -1.876 16.831 0.818 1.00 0.00 N ATOM 314 CA GLN A 20 -0.438 17.046 0.777 1.00 0.00 C ATOM 315 C GLN A 20 0.183 16.755 2.145 1.00 0.00 C ATOM 316 O GLN A 20 1.143 17.411 2.546 1.00 0.00 O ATOM 317 CB GLN A 20 -0.112 18.469 0.319 1.00 0.00 C ATOM 318 CG GLN A 20 0.589 18.458 -1.042 1.00 0.00 C ATOM 319 CD GLN A 20 1.716 19.492 -1.087 1.00 0.00 C ATOM 320 OE1 GLN A 20 1.806 20.387 -0.262 1.00 0.00 O ATOM 321 NE2 GLN A 20 2.570 19.318 -2.091 1.00 0.00 N ATOM 0 H GLN A 20 -2.230 16.174 0.123 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.007 16.356 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.030 19.054 0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.526 18.956 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.994 17.465 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.135 18.669 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.436 18.548 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.359 19.955 -2.206 1.00 0.00 H new ATOM 330 N ASN A 21 -0.391 15.772 2.822 1.00 0.00 N ATOM 331 CA ASN A 21 0.094 15.385 4.136 1.00 0.00 C ATOM 332 C ASN A 21 1.004 14.164 3.999 1.00 0.00 C ATOM 333 O ASN A 21 0.932 13.439 3.009 1.00 0.00 O ATOM 334 CB ASN A 21 -1.064 15.010 5.062 1.00 0.00 C ATOM 335 CG ASN A 21 -0.857 15.592 6.462 1.00 0.00 C ATOM 336 OD1 ASN A 21 -0.862 14.891 7.462 1.00 0.00 O ATOM 337 ND2 ASN A 21 -0.674 16.909 6.480 1.00 0.00 N ATOM 0 H ASN A 21 -1.188 15.231 2.485 1.00 0.00 H new ATOM 0 HA ASN A 21 0.634 16.232 4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.001 15.379 4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.148 13.925 5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.526 17.391 7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.681 17.437 5.607 1.00 0.00 H new ATOM 344 N GLY A 22 1.839 13.972 5.011 1.00 0.00 N ATOM 345 CA GLY A 22 2.763 12.850 5.015 1.00 0.00 C ATOM 346 C GLY A 22 2.204 11.676 4.209 1.00 0.00 C ATOM 347 O GLY A 22 2.795 11.267 3.210 1.00 0.00 O ATOM 0 H GLY A 22 1.895 14.574 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.720 13.161 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.952 12.534 6.041 1.00 0.00 H new ATOM 351 N MET A 23 1.072 11.167 4.671 1.00 0.00 N ATOM 352 CA MET A 23 0.427 10.048 4.006 1.00 0.00 C ATOM 353 C MET A 23 -0.607 9.389 4.919 1.00 0.00 C ATOM 354 O MET A 23 -1.778 9.273 4.559 1.00 0.00 O ATOM 355 CB MET A 23 1.481 9.019 3.600 1.00 0.00 C ATOM 356 CG MET A 23 1.489 8.809 2.083 1.00 0.00 C ATOM 357 SD MET A 23 3.092 9.227 1.417 1.00 0.00 S ATOM 358 CE MET A 23 3.886 7.631 1.496 1.00 0.00 C ATOM 0 H MET A 23 0.584 11.509 5.499 1.00 0.00 H new ATOM 0 HA MET A 23 -0.086 10.423 3.121 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.465 9.352 3.930 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.281 8.072 4.101 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.248 7.772 1.850 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.721 9.427 1.618 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.693 7.589 0.764 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.294 7.477 2.495 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.157 6.851 1.277 1.00 0.00 H new ATOM 368 N GLY A 24 -0.137 8.972 6.086 1.00 0.00 N ATOM 369 CA GLY A 24 -1.005 8.325 7.055 1.00 0.00 C ATOM 370 C GLY A 24 -1.428 6.938 6.572 1.00 0.00 C ATOM 371 O GLY A 24 -2.619 6.652 6.454 1.00 0.00 O ATOM 0 H GLY A 24 0.834 9.070 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.488 8.239 8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.889 8.940 7.225 1.00 0.00 H new ATOM 375 N LEU A 25 -0.428 6.108 6.307 1.00 0.00 N ATOM 376 CA LEU A 25 -0.681 4.755 5.840 1.00 0.00 C ATOM 377 C LEU A 25 -0.054 3.757 6.817 1.00 0.00 C ATOM 378 O LEU A 25 0.810 4.122 7.612 1.00 0.00 O ATOM 379 CB LEU A 25 -0.201 4.589 4.398 1.00 0.00 C ATOM 380 CG LEU A 25 -1.241 4.859 3.308 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.033 3.932 2.110 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.661 4.760 3.871 1.00 0.00 C ATOM 0 H LEU A 25 0.559 6.347 6.407 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.752 4.552 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.645 5.258 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.170 3.571 4.274 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.106 5.880 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.785 4.145 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.039 4.094 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.126 2.895 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.382 4.956 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.825 3.759 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.789 5.494 4.666 1.00 0.00 H new ATOM 394 N SER A 26 -0.513 2.519 6.723 1.00 0.00 N ATOM 395 CA SER A 26 -0.009 1.465 7.588 1.00 0.00 C ATOM 396 C SER A 26 0.019 0.137 6.832 1.00 0.00 C ATOM 397 O SER A 26 -1.027 -0.385 6.449 1.00 0.00 O ATOM 398 CB SER A 26 -0.856 1.340 8.855 1.00 0.00 C ATOM 399 OG SER A 26 -0.095 0.864 9.962 1.00 0.00 O ATOM 0 H SER A 26 -1.229 2.221 6.061 1.00 0.00 H new ATOM 0 HA SER A 26 1.006 1.725 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.285 2.311 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.688 0.661 8.669 1.00 0.00 H new ATOM 0 HG SER A 26 -0.672 0.800 10.752 1.00 0.00 H new ATOM 405 N ILE A 27 1.226 -0.375 6.641 1.00 0.00 N ATOM 406 CA ILE A 27 1.402 -1.634 5.938 1.00 0.00 C ATOM 407 C ILE A 27 2.366 -2.524 6.729 1.00 0.00 C ATOM 408 O ILE A 27 2.988 -2.072 7.689 1.00 0.00 O ATOM 409 CB ILE A 27 1.840 -1.386 4.494 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.316 -1.743 4.299 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.540 0.054 4.070 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.918 -0.966 3.125 1.00 0.00 C ATOM 0 H ILE A 27 2.092 0.059 6.961 1.00 0.00 H new ATOM 0 HA ILE A 27 0.454 -2.168 5.871 1.00 0.00 H new ATOM 0 HB ILE A 27 1.261 -2.042 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.871 -1.520 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.414 -2.814 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.861 0.204 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.469 0.240 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.076 0.744 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.967 -1.238 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.376 -1.210 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.840 0.104 3.319 1.00 0.00 H new ATOM 424 N VAL A 28 2.460 -3.772 6.294 1.00 0.00 N ATOM 425 CA VAL A 28 3.337 -4.728 6.948 1.00 0.00 C ATOM 426 C VAL A 28 3.778 -5.786 5.934 1.00 0.00 C ATOM 427 O VAL A 28 3.047 -6.093 4.994 1.00 0.00 O ATOM 428 CB VAL A 28 2.639 -5.327 8.170 1.00 0.00 C ATOM 429 CG1 VAL A 28 1.283 -5.927 7.788 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.526 -6.369 8.854 1.00 0.00 C ATOM 0 H VAL A 28 1.943 -4.143 5.497 1.00 0.00 H new ATOM 0 HA VAL A 28 4.237 -4.233 7.314 1.00 0.00 H new ATOM 0 HB VAL A 28 2.461 -4.521 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.808 -6.346 8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.646 -5.148 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.429 -6.714 7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.005 -6.779 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.751 -7.172 8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.455 -5.900 9.178 1.00 0.00 H new ATOM 440 N ALA A 29 4.972 -6.313 6.158 1.00 0.00 N ATOM 441 CA ALA A 29 5.519 -7.330 5.276 1.00 0.00 C ATOM 442 C ALA A 29 5.890 -8.566 6.099 1.00 0.00 C ATOM 443 O ALA A 29 6.315 -8.448 7.248 1.00 0.00 O ATOM 444 CB ALA A 29 6.716 -6.754 4.516 1.00 0.00 C ATOM 0 H ALA A 29 5.577 -6.055 6.938 1.00 0.00 H new ATOM 0 HA ALA A 29 4.779 -7.637 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.127 -7.516 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.394 -5.896 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.481 -6.439 5.226 1.00 0.00 H new ATOM 450 N ALA A 30 5.717 -9.723 5.478 1.00 0.00 N ATOM 451 CA ALA A 30 6.029 -10.980 6.136 1.00 0.00 C ATOM 452 C ALA A 30 7.139 -11.694 5.364 1.00 0.00 C ATOM 453 O ALA A 30 7.207 -11.603 4.141 1.00 0.00 O ATOM 454 CB ALA A 30 4.760 -11.826 6.248 1.00 0.00 C ATOM 0 H ALA A 30 5.364 -9.816 4.525 1.00 0.00 H new ATOM 0 HA ALA A 30 6.393 -10.803 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.994 -12.769 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.013 -11.287 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.367 -12.026 5.251 1.00 0.00 H new ATOM 460 N LYS A 31 7.984 -12.390 6.112 1.00 0.00 N ATOM 461 CA LYS A 31 9.087 -13.121 5.513 1.00 0.00 C ATOM 462 C LYS A 31 9.356 -14.389 6.327 1.00 0.00 C ATOM 463 O LYS A 31 9.247 -14.379 7.552 1.00 0.00 O ATOM 464 CB LYS A 31 10.311 -12.215 5.365 1.00 0.00 C ATOM 465 CG LYS A 31 10.835 -11.774 6.735 1.00 0.00 C ATOM 466 CD LYS A 31 10.327 -10.376 7.090 1.00 0.00 C ATOM 467 CE LYS A 31 9.830 -10.326 8.537 1.00 0.00 C ATOM 468 NZ LYS A 31 8.582 -9.533 8.630 1.00 0.00 N ATOM 0 H LYS A 31 7.926 -12.463 7.128 1.00 0.00 H new ATOM 0 HA LYS A 31 8.829 -13.439 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.096 -12.743 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.050 -11.339 4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.516 -12.485 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.925 -11.779 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.126 -9.648 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.519 -10.096 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.653 -11.338 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.596 -9.886 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.976 -9.925 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.815 -8.545 8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.078 -9.571 7.721 1.00 0.00 H new ATOM 482 N GLY A 32 9.700 -15.451 5.612 1.00 0.00 N ATOM 483 CA GLY A 32 9.984 -16.723 6.252 1.00 0.00 C ATOM 484 C GLY A 32 10.646 -17.693 5.272 1.00 0.00 C ATOM 485 O GLY A 32 11.163 -17.279 4.236 1.00 0.00 O ATOM 0 H GLY A 32 9.788 -15.456 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.637 -16.565 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.059 -17.158 6.631 1.00 0.00 H new ATOM 489 N ALA A 33 10.609 -18.968 5.635 1.00 0.00 N ATOM 490 CA ALA A 33 11.199 -20.001 4.800 1.00 0.00 C ATOM 491 C ALA A 33 10.375 -21.285 4.925 1.00 0.00 C ATOM 492 O ALA A 33 9.501 -21.384 5.786 1.00 0.00 O ATOM 493 CB ALA A 33 12.661 -20.206 5.198 1.00 0.00 C ATOM 0 H ALA A 33 10.180 -19.308 6.495 1.00 0.00 H new ATOM 0 HA ALA A 33 11.185 -19.701 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.103 -20.981 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.209 -19.273 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.714 -20.510 6.243 1.00 0.00 H new ATOM 499 N GLY A 34 10.683 -22.233 4.055 1.00 0.00 N ATOM 500 CA GLY A 34 9.982 -23.508 4.059 1.00 0.00 C ATOM 501 C GLY A 34 8.593 -23.370 3.432 1.00 0.00 C ATOM 502 O GLY A 34 8.339 -23.904 2.354 1.00 0.00 O ATOM 0 H GLY A 34 11.407 -22.146 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.562 -24.248 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.889 -23.873 5.082 1.00 0.00 H new ATOM 506 N GLN A 35 7.730 -22.652 4.135 1.00 0.00 N ATOM 507 CA GLN A 35 6.373 -22.438 3.662 1.00 0.00 C ATOM 508 C GLN A 35 5.991 -20.962 3.795 1.00 0.00 C ATOM 509 O GLN A 35 5.061 -20.621 4.525 1.00 0.00 O ATOM 510 CB GLN A 35 5.382 -23.330 4.413 1.00 0.00 C ATOM 511 CG GLN A 35 4.902 -24.482 3.528 1.00 0.00 C ATOM 512 CD GLN A 35 4.114 -23.956 2.325 1.00 0.00 C ATOM 513 OE1 GLN A 35 3.670 -22.821 2.290 1.00 0.00 O ATOM 514 NE2 GLN A 35 3.969 -24.843 1.345 1.00 0.00 N ATOM 0 H GLN A 35 7.944 -22.211 5.029 1.00 0.00 H new ATOM 0 HA GLN A 35 6.330 -22.711 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.854 -23.729 5.311 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.528 -22.737 4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.758 -25.061 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.276 -25.157 4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.367 -25.777 1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.460 -24.589 0.498 1.00 0.00 H new ATOM 523 N ASP A 36 6.729 -20.125 3.080 1.00 0.00 N ATOM 524 CA ASP A 36 6.481 -18.695 3.109 1.00 0.00 C ATOM 525 C ASP A 36 7.674 -17.961 2.496 1.00 0.00 C ATOM 526 O ASP A 36 8.824 -18.314 2.753 1.00 0.00 O ATOM 527 CB ASP A 36 6.303 -18.195 4.543 1.00 0.00 C ATOM 528 CG ASP A 36 4.852 -18.015 4.993 1.00 0.00 C ATOM 529 OD1 ASP A 36 4.142 -17.238 4.319 1.00 0.00 O ATOM 530 OD2 ASP A 36 4.485 -18.661 5.998 1.00 0.00 O ATOM 0 H ASP A 36 7.500 -20.411 2.477 1.00 0.00 H new ATOM 0 HA ASP A 36 5.569 -18.501 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.792 -18.896 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.820 -17.241 4.645 1.00 0.00 H new ATOM 535 N LYS A 37 7.361 -16.952 1.696 1.00 0.00 N ATOM 536 CA LYS A 37 8.394 -16.165 1.045 1.00 0.00 C ATOM 537 C LYS A 37 8.283 -14.709 1.501 1.00 0.00 C ATOM 538 O LYS A 37 8.942 -14.303 2.457 1.00 0.00 O ATOM 539 CB LYS A 37 8.324 -16.341 -0.473 1.00 0.00 C ATOM 540 CG LYS A 37 9.456 -17.240 -0.973 1.00 0.00 C ATOM 541 CD LYS A 37 9.272 -17.585 -2.452 1.00 0.00 C ATOM 542 CE LYS A 37 8.561 -18.929 -2.618 1.00 0.00 C ATOM 543 NZ LYS A 37 8.577 -19.353 -4.036 1.00 0.00 N ATOM 0 H LYS A 37 6.406 -16.662 1.484 1.00 0.00 H new ATOM 0 HA LYS A 37 9.383 -16.517 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.362 -16.774 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.386 -15.367 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.413 -16.739 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.485 -18.156 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.695 -16.801 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.244 -17.621 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.049 -19.684 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.532 -18.848 -2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.090 -20.267 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.091 -18.640 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.561 -19.450 -4.358 1.00 0.00 H new ATOM 557 N LEU A 38 7.446 -13.963 0.794 1.00 0.00 N ATOM 558 CA LEU A 38 7.242 -12.560 1.114 1.00 0.00 C ATOM 559 C LEU A 38 5.767 -12.205 0.906 1.00 0.00 C ATOM 560 O LEU A 38 5.227 -12.393 -0.183 1.00 0.00 O ATOM 561 CB LEU A 38 8.204 -11.681 0.314 1.00 0.00 C ATOM 562 CG LEU A 38 9.097 -10.747 1.132 1.00 0.00 C ATOM 563 CD1 LEU A 38 8.257 -9.770 1.959 1.00 0.00 C ATOM 564 CD2 LEU A 38 10.071 -11.543 2.003 1.00 0.00 C ATOM 0 H LEU A 38 6.902 -14.304 0.001 1.00 0.00 H new ATOM 0 HA LEU A 38 7.473 -12.371 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.843 -12.329 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.620 -11.077 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 38 9.694 -10.153 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.916 -9.117 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.639 -9.168 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.617 -10.328 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.694 -10.855 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.510 -12.179 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.704 -12.163 1.368 1.00 0.00 H new ATOM 576 N GLY A 39 5.159 -11.698 1.969 1.00 0.00 N ATOM 577 CA GLY A 39 3.759 -11.314 1.918 1.00 0.00 C ATOM 578 C GLY A 39 3.542 -9.941 2.555 1.00 0.00 C ATOM 579 O GLY A 39 3.720 -9.778 3.763 1.00 0.00 O ATOM 0 H GLY A 39 5.611 -11.544 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.421 -11.295 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.155 -12.059 2.437 1.00 0.00 H new ATOM 583 N ILE A 40 3.158 -8.988 1.719 1.00 0.00 N ATOM 584 CA ILE A 40 2.915 -7.635 2.187 1.00 0.00 C ATOM 585 C ILE A 40 1.408 -7.411 2.328 1.00 0.00 C ATOM 586 O ILE A 40 0.620 -7.987 1.582 1.00 0.00 O ATOM 587 CB ILE A 40 3.604 -6.619 1.274 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.750 -7.272 0.495 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.076 -5.397 2.067 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.335 -6.301 -0.535 1.00 0.00 C ATOM 0 H ILE A 40 3.009 -9.127 0.719 1.00 0.00 H new ATOM 0 HA ILE A 40 3.353 -7.490 3.174 1.00 0.00 H new ATOM 0 HB ILE A 40 2.875 -6.267 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.531 -7.589 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.388 -8.168 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.562 -4.691 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.219 -4.916 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.783 -5.712 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.147 -6.789 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.557 -6.005 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.718 -5.417 -0.025 1.00 0.00 H new ATOM 602 N TYR A 41 1.055 -6.573 3.292 1.00 0.00 N ATOM 603 CA TYR A 41 -0.344 -6.266 3.540 1.00 0.00 C ATOM 604 C TYR A 41 -0.504 -4.851 4.101 1.00 0.00 C ATOM 605 O TYR A 41 0.471 -4.238 4.533 1.00 0.00 O ATOM 606 CB TYR A 41 -0.816 -7.274 4.589 1.00 0.00 C ATOM 607 CG TYR A 41 -0.581 -8.735 4.199 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.330 -9.309 3.191 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.379 -9.477 4.855 1.00 0.00 C ATOM 610 CE1 TYR A 41 -1.108 -10.683 2.824 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.602 -10.853 4.488 1.00 0.00 C ATOM 612 CZ TYR A 41 -0.153 -11.388 3.490 1.00 0.00 C ATOM 613 OH TYR A 41 0.056 -12.686 3.144 1.00 0.00 O ATOM 0 H TYR A 41 1.713 -6.098 3.910 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.920 -6.323 2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.302 -7.072 5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.880 -7.124 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.082 -8.727 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.964 -9.027 5.644 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.687 -11.144 2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.351 -11.445 4.993 1.00 0.00 H new ATOM 0 HH TYR A 41 0.768 -13.063 3.702 1.00 0.00 H new ATOM 623 N VAL A 42 -1.741 -4.376 4.076 1.00 0.00 N ATOM 624 CA VAL A 42 -2.040 -3.045 4.577 1.00 0.00 C ATOM 625 C VAL A 42 -2.711 -3.159 5.946 1.00 0.00 C ATOM 626 O VAL A 42 -3.758 -3.791 6.079 1.00 0.00 O ATOM 627 CB VAL A 42 -2.888 -2.281 3.557 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.468 -1.005 4.173 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.080 -1.964 2.298 1.00 0.00 C ATOM 0 H VAL A 42 -2.547 -4.888 3.717 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.122 -2.472 4.712 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.720 -2.922 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.066 -0.481 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.096 -1.265 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.655 -0.359 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.707 -1.421 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.218 -1.352 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.738 -2.893 1.841 1.00 0.00 H new ATOM 639 N LYS A 43 -2.080 -2.539 6.933 1.00 0.00 N ATOM 640 CA LYS A 43 -2.604 -2.562 8.288 1.00 0.00 C ATOM 641 C LYS A 43 -3.821 -1.642 8.377 1.00 0.00 C ATOM 642 O LYS A 43 -4.842 -2.011 8.955 1.00 0.00 O ATOM 643 CB LYS A 43 -1.500 -2.222 9.294 1.00 0.00 C ATOM 644 CG LYS A 43 -2.059 -2.146 10.715 1.00 0.00 C ATOM 645 CD LYS A 43 -2.536 -3.521 11.193 1.00 0.00 C ATOM 646 CE LYS A 43 -1.633 -4.058 12.305 1.00 0.00 C ATOM 647 NZ LYS A 43 -0.637 -5.004 11.752 1.00 0.00 N ATOM 0 H LYS A 43 -1.211 -2.018 6.821 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.944 -3.564 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.716 -2.977 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.041 -1.270 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.292 -1.768 11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.888 -1.439 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.561 -3.448 11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.542 -4.219 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.123 -3.231 12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.237 -4.558 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.032 -5.359 12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.129 -5.802 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.050 -4.516 11.046 1.00 0.00 H new ATOM 661 N SER A 44 -3.673 -0.460 7.797 1.00 0.00 N ATOM 662 CA SER A 44 -4.749 0.517 7.803 1.00 0.00 C ATOM 663 C SER A 44 -4.181 1.923 7.607 1.00 0.00 C ATOM 664 O SER A 44 -2.965 2.106 7.575 1.00 0.00 O ATOM 665 CB SER A 44 -5.551 0.446 9.104 1.00 0.00 C ATOM 666 OG SER A 44 -4.712 0.225 10.235 1.00 0.00 O ATOM 0 H SER A 44 -2.824 -0.157 7.320 1.00 0.00 H new ATOM 0 HA SER A 44 -5.424 0.286 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.106 1.374 9.240 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.285 -0.357 9.034 1.00 0.00 H new ATOM 0 HG SER A 44 -5.260 0.187 11.046 1.00 0.00 H new ATOM 672 N VAL A 45 -5.086 2.881 7.477 1.00 0.00 N ATOM 673 CA VAL A 45 -4.691 4.266 7.285 1.00 0.00 C ATOM 674 C VAL A 45 -4.609 4.962 8.645 1.00 0.00 C ATOM 675 O VAL A 45 -5.559 4.920 9.426 1.00 0.00 O ATOM 676 CB VAL A 45 -5.654 4.956 6.318 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.714 4.211 4.981 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.048 5.091 6.933 1.00 0.00 C ATOM 0 H VAL A 45 -6.094 2.725 7.501 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.701 4.321 6.831 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.275 5.960 6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.406 4.721 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.721 4.190 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.058 3.190 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.712 5.585 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.439 4.101 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.987 5.683 7.846 1.00 0.00 H new ATOM 688 N VAL A 46 -3.465 5.586 8.887 1.00 0.00 N ATOM 689 CA VAL A 46 -3.247 6.291 10.139 1.00 0.00 C ATOM 690 C VAL A 46 -4.517 7.056 10.516 1.00 0.00 C ATOM 691 O VAL A 46 -4.825 7.212 11.695 1.00 0.00 O ATOM 692 CB VAL A 46 -2.016 7.192 10.025 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.007 8.250 11.129 1.00 0.00 C ATOM 694 CG2 VAL A 46 -0.729 6.367 10.046 1.00 0.00 C ATOM 0 H VAL A 46 -2.679 5.618 8.237 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.042 5.586 10.944 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.067 7.709 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.121 8.877 11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.901 8.868 11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.992 7.760 12.102 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.131 7.032 9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.669 5.810 10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.730 5.670 9.208 1.00 0.00 H new ATOM 704 N LYS A 47 -5.219 7.517 9.490 1.00 0.00 N ATOM 705 CA LYS A 47 -6.447 8.262 9.698 1.00 0.00 C ATOM 706 C LYS A 47 -6.114 9.744 9.887 1.00 0.00 C ATOM 707 O LYS A 47 -6.896 10.490 10.473 1.00 0.00 O ATOM 708 CB LYS A 47 -7.252 7.661 10.853 1.00 0.00 C ATOM 709 CG LYS A 47 -8.716 8.093 10.786 1.00 0.00 C ATOM 710 CD LYS A 47 -9.595 6.969 10.232 1.00 0.00 C ATOM 711 CE LYS A 47 -11.001 7.479 9.913 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.555 6.771 8.736 1.00 0.00 N ATOM 0 H LYS A 47 -4.959 7.388 8.512 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.089 8.188 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.188 6.573 10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.820 7.975 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.062 8.373 11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.809 8.977 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.140 6.558 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.655 6.158 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.652 7.330 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.970 8.551 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.510 7.129 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.942 6.934 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.603 5.751 8.935 1.00 0.00 H new ATOM 726 N GLY A 48 -4.951 10.125 9.379 1.00 0.00 N ATOM 727 CA GLY A 48 -4.505 11.504 9.484 1.00 0.00 C ATOM 728 C GLY A 48 -3.467 11.826 8.407 1.00 0.00 C ATOM 729 O GLY A 48 -2.412 12.383 8.704 1.00 0.00 O ATOM 0 H GLY A 48 -4.304 9.503 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.358 12.175 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.077 11.678 10.471 1.00 0.00 H new ATOM 733 N GLY A 49 -3.805 11.465 7.177 1.00 0.00 N ATOM 734 CA GLY A 49 -2.915 11.710 6.055 1.00 0.00 C ATOM 735 C GLY A 49 -3.710 12.024 4.785 1.00 0.00 C ATOM 736 O GLY A 49 -4.920 11.811 4.736 1.00 0.00 O ATOM 0 H GLY A 49 -4.682 11.005 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.251 12.542 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.285 10.836 5.888 1.00 0.00 H new ATOM 740 N ALA A 50 -2.996 12.526 3.789 1.00 0.00 N ATOM 741 CA ALA A 50 -3.618 12.870 2.520 1.00 0.00 C ATOM 742 C ALA A 50 -4.174 11.602 1.868 1.00 0.00 C ATOM 743 O ALA A 50 -5.362 11.530 1.559 1.00 0.00 O ATOM 744 CB ALA A 50 -2.602 13.588 1.632 1.00 0.00 C ATOM 0 H ALA A 50 -1.993 12.703 3.834 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.454 13.552 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.068 13.846 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.263 14.497 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.749 12.934 1.452 1.00 0.00 H new ATOM 750 N ALA A 51 -3.288 10.636 1.681 1.00 0.00 N ATOM 751 CA ALA A 51 -3.676 9.375 1.072 1.00 0.00 C ATOM 752 C ALA A 51 -4.595 8.612 2.026 1.00 0.00 C ATOM 753 O ALA A 51 -5.387 7.776 1.597 1.00 0.00 O ATOM 754 CB ALA A 51 -2.421 8.577 0.709 1.00 0.00 C ATOM 0 H ALA A 51 -2.304 10.700 1.940 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.231 9.549 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.711 7.631 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.817 9.150 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.841 8.382 1.611 1.00 0.00 H new ATOM 760 N ASP A 52 -4.460 8.930 3.306 1.00 0.00 N ATOM 761 CA ASP A 52 -5.268 8.285 4.326 1.00 0.00 C ATOM 762 C ASP A 52 -6.746 8.591 4.068 1.00 0.00 C ATOM 763 O ASP A 52 -7.570 7.679 3.995 1.00 0.00 O ATOM 764 CB ASP A 52 -4.915 8.806 5.721 1.00 0.00 C ATOM 765 CG ASP A 52 -6.112 9.221 6.579 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.076 8.425 6.632 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.037 10.323 7.161 1.00 0.00 O ATOM 0 H ASP A 52 -3.803 9.626 3.659 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.074 7.213 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.358 8.033 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.249 9.662 5.615 1.00 0.00 H new ATOM 772 N VAL A 53 -7.038 9.876 3.935 1.00 0.00 N ATOM 773 CA VAL A 53 -8.401 10.312 3.686 1.00 0.00 C ATOM 774 C VAL A 53 -8.720 10.155 2.198 1.00 0.00 C ATOM 775 O VAL A 53 -9.678 9.478 1.833 1.00 0.00 O ATOM 776 CB VAL A 53 -8.591 11.745 4.189 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.068 12.142 4.169 1.00 0.00 C ATOM 778 CG2 VAL A 53 -7.997 11.918 5.588 1.00 0.00 C ATOM 0 H VAL A 53 -6.353 10.630 3.995 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.107 9.690 4.237 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.056 12.411 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.175 13.165 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.449 12.076 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.635 11.468 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.145 12.945 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.492 11.236 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.930 11.696 5.560 1.00 0.00 H new ATOM 788 N ASP A 54 -7.894 10.792 1.379 1.00 0.00 N ATOM 789 CA ASP A 54 -8.077 10.731 -0.062 1.00 0.00 C ATOM 790 C ASP A 54 -8.070 9.268 -0.510 1.00 0.00 C ATOM 791 O ASP A 54 -9.067 8.770 -1.031 1.00 0.00 O ATOM 792 CB ASP A 54 -6.943 11.455 -0.791 1.00 0.00 C ATOM 793 CG ASP A 54 -7.072 11.488 -2.316 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.157 11.894 -2.784 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.082 11.104 -2.976 1.00 0.00 O ATOM 0 H ASP A 54 -7.098 11.352 1.685 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.025 11.211 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.891 12.480 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.999 10.975 -0.531 1.00 0.00 H new ATOM 800 N GLY A 55 -6.934 8.621 -0.292 1.00 0.00 N ATOM 801 CA GLY A 55 -6.784 7.226 -0.667 1.00 0.00 C ATOM 802 C GLY A 55 -7.945 6.385 -0.131 1.00 0.00 C ATOM 803 O GLY A 55 -8.645 5.725 -0.897 1.00 0.00 O ATOM 0 H GLY A 55 -6.109 9.038 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.740 7.141 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.841 6.841 -0.278 1.00 0.00 H new ATOM 807 N ARG A 56 -8.114 6.437 1.183 1.00 0.00 N ATOM 808 CA ARG A 56 -9.179 5.690 1.832 1.00 0.00 C ATOM 809 C ARG A 56 -9.077 4.206 1.474 1.00 0.00 C ATOM 810 O ARG A 56 -10.082 3.572 1.152 1.00 0.00 O ATOM 811 CB ARG A 56 -10.552 6.217 1.414 1.00 0.00 C ATOM 812 CG ARG A 56 -11.625 5.810 2.427 1.00 0.00 C ATOM 813 CD ARG A 56 -12.997 6.352 2.021 1.00 0.00 C ATOM 814 NE ARG A 56 -13.680 6.934 3.198 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.720 7.775 3.122 1.00 0.00 C ATOM 816 NH1 ARG A 56 -15.204 8.136 1.925 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.277 8.256 4.242 1.00 0.00 N ATOM 0 H ARG A 56 -7.531 6.985 1.816 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.067 5.816 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.519 7.303 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.810 5.829 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.667 4.723 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.359 6.187 3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.883 7.109 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.603 5.551 1.598 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.338 6.679 4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.780 7.770 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.996 8.776 1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.909 7.982 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.069 8.896 4.183 1.00 0.00 H new ATOM 831 N LEU A 57 -7.856 3.694 1.542 1.00 0.00 N ATOM 832 CA LEU A 57 -7.612 2.296 1.231 1.00 0.00 C ATOM 833 C LEU A 57 -8.222 1.421 2.326 1.00 0.00 C ATOM 834 O LEU A 57 -8.466 1.889 3.435 1.00 0.00 O ATOM 835 CB LEU A 57 -6.118 2.051 1.005 1.00 0.00 C ATOM 836 CG LEU A 57 -5.502 2.737 -0.215 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.982 2.840 -0.078 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.914 2.030 -1.508 1.00 0.00 C ATOM 0 H LEU A 57 -7.025 4.223 1.808 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.101 2.022 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.578 2.380 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.956 0.977 0.913 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.890 3.754 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.570 3.332 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.735 3.421 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.556 1.841 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.462 2.538 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.574 0.995 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.999 2.053 -1.605 1.00 0.00 H new ATOM 850 N ALA A 58 -8.449 0.163 1.974 1.00 0.00 N ATOM 851 CA ALA A 58 -9.027 -0.784 2.914 1.00 0.00 C ATOM 852 C ALA A 58 -7.918 -1.347 3.808 1.00 0.00 C ATOM 853 O ALA A 58 -6.785 -1.518 3.363 1.00 0.00 O ATOM 854 CB ALA A 58 -9.768 -1.878 2.145 1.00 0.00 C ATOM 0 H ALA A 58 -8.243 -0.222 1.052 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.754 -0.291 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.201 -2.588 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.562 -1.429 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.070 -2.398 1.489 1.00 0.00 H new ATOM 860 N ALA A 59 -8.287 -1.620 5.051 1.00 0.00 N ATOM 861 CA ALA A 59 -7.339 -2.160 6.010 1.00 0.00 C ATOM 862 C ALA A 59 -7.364 -3.688 5.940 1.00 0.00 C ATOM 863 O ALA A 59 -8.373 -4.312 6.263 1.00 0.00 O ATOM 864 CB ALA A 59 -7.672 -1.635 7.409 1.00 0.00 C ATOM 0 H ALA A 59 -9.229 -1.477 5.416 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.326 -1.835 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.961 -2.040 8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.612 -0.547 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.681 -1.944 7.683 1.00 0.00 H new ATOM 870 N GLY A 60 -6.240 -4.247 5.515 1.00 0.00 N ATOM 871 CA GLY A 60 -6.121 -5.690 5.397 1.00 0.00 C ATOM 872 C GLY A 60 -5.815 -6.100 3.955 1.00 0.00 C ATOM 873 O GLY A 60 -6.004 -7.256 3.582 1.00 0.00 O ATOM 0 H GLY A 60 -5.404 -3.727 5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.330 -6.048 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.047 -6.163 5.724 1.00 0.00 H new ATOM 877 N ASP A 61 -5.347 -5.129 3.185 1.00 0.00 N ATOM 878 CA ASP A 61 -5.014 -5.374 1.792 1.00 0.00 C ATOM 879 C ASP A 61 -3.712 -6.174 1.717 1.00 0.00 C ATOM 880 O ASP A 61 -3.040 -6.370 2.728 1.00 0.00 O ATOM 881 CB ASP A 61 -4.805 -4.061 1.036 1.00 0.00 C ATOM 882 CG ASP A 61 -5.952 -3.055 1.160 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.105 -3.520 1.282 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.650 -1.841 1.128 1.00 0.00 O ATOM 0 H ASP A 61 -5.190 -4.171 3.499 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.840 -5.923 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.890 -3.592 1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.652 -4.287 -0.019 1.00 0.00 H new ATOM 889 N GLN A 62 -3.396 -6.616 0.508 1.00 0.00 N ATOM 890 CA GLN A 62 -2.186 -7.390 0.288 1.00 0.00 C ATOM 891 C GLN A 62 -1.283 -6.685 -0.726 1.00 0.00 C ATOM 892 O GLN A 62 -1.582 -6.664 -1.920 1.00 0.00 O ATOM 893 CB GLN A 62 -2.520 -8.811 -0.170 1.00 0.00 C ATOM 894 CG GLN A 62 -1.250 -9.585 -0.528 1.00 0.00 C ATOM 895 CD GLN A 62 -1.590 -10.954 -1.122 1.00 0.00 C ATOM 896 OE1 GLN A 62 -2.539 -11.115 -1.873 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.769 -11.927 -0.741 1.00 0.00 N ATOM 0 H GLN A 62 -3.956 -6.453 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.649 -7.465 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.058 -9.334 0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.182 -8.772 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.660 -9.011 -1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.635 -9.714 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.006 -11.723 -0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.914 -12.878 -1.079 1.00 0.00 H new ATOM 906 N LEU A 63 -0.195 -6.127 -0.215 1.00 0.00 N ATOM 907 CA LEU A 63 0.755 -5.424 -1.061 1.00 0.00 C ATOM 908 C LEU A 63 1.767 -6.424 -1.626 1.00 0.00 C ATOM 909 O LEU A 63 2.011 -7.470 -1.026 1.00 0.00 O ATOM 910 CB LEU A 63 1.397 -4.265 -0.299 1.00 0.00 C ATOM 911 CG LEU A 63 2.498 -3.505 -1.036 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.956 -2.215 -1.655 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.693 -3.241 -0.117 1.00 0.00 C ATOM 0 H LEU A 63 0.050 -6.148 0.775 1.00 0.00 H new ATOM 0 HA LEU A 63 0.244 -4.972 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.614 -3.557 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.812 -4.654 0.631 1.00 0.00 H new ATOM 0 HG LEU A 63 2.853 -4.130 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.761 -1.694 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.164 -2.456 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.556 -1.574 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.462 -2.699 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.370 -2.646 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.099 -4.190 0.234 1.00 0.00 H new ATOM 925 N LEU A 64 2.325 -6.068 -2.773 1.00 0.00 N ATOM 926 CA LEU A 64 3.304 -6.921 -3.425 1.00 0.00 C ATOM 927 C LEU A 64 4.371 -6.048 -4.090 1.00 0.00 C ATOM 928 O LEU A 64 5.560 -6.352 -4.015 1.00 0.00 O ATOM 929 CB LEU A 64 2.615 -7.890 -4.388 1.00 0.00 C ATOM 930 CG LEU A 64 1.874 -9.061 -3.741 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.439 -9.160 -4.267 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.644 -10.370 -3.930 1.00 0.00 C ATOM 0 H LEU A 64 2.118 -5.200 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 64 3.813 -7.546 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.905 -7.327 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.366 -8.292 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 64 1.813 -8.875 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.066 -10.001 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.097 -8.239 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.457 -9.311 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.095 -11.186 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.758 -10.575 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.628 -10.283 -3.470 1.00 0.00 H new ATOM 944 N SER A 65 3.906 -4.983 -4.726 1.00 0.00 N ATOM 945 CA SER A 65 4.806 -4.065 -5.404 1.00 0.00 C ATOM 946 C SER A 65 4.745 -2.687 -4.742 1.00 0.00 C ATOM 947 O SER A 65 3.851 -2.418 -3.941 1.00 0.00 O ATOM 948 CB SER A 65 4.462 -3.954 -6.891 1.00 0.00 C ATOM 949 OG SER A 65 3.455 -4.887 -7.277 1.00 0.00 O ATOM 0 H SER A 65 2.918 -4.735 -4.786 1.00 0.00 H new ATOM 0 HA SER A 65 5.820 -4.457 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.122 -2.942 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.360 -4.124 -7.485 1.00 0.00 H new ATOM 0 HG SER A 65 3.584 -5.137 -8.216 1.00 0.00 H new ATOM 955 N VAL A 66 5.707 -1.850 -5.099 1.00 0.00 N ATOM 956 CA VAL A 66 5.774 -0.507 -4.550 1.00 0.00 C ATOM 957 C VAL A 66 5.907 0.501 -5.692 1.00 0.00 C ATOM 958 O VAL A 66 6.202 0.124 -6.825 1.00 0.00 O ATOM 959 CB VAL A 66 6.916 -0.414 -3.535 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.275 -0.562 -4.222 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.841 0.895 -2.745 1.00 0.00 C ATOM 0 H VAL A 66 6.448 -2.076 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 66 4.857 -0.268 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 66 6.806 -1.238 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.068 -0.492 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.328 -1.531 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.398 0.231 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.663 0.937 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.913 1.739 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.893 0.943 -2.210 1.00 0.00 H new ATOM 971 N ASP A 67 5.682 1.762 -5.355 1.00 0.00 N ATOM 972 CA ASP A 67 5.774 2.829 -6.340 1.00 0.00 C ATOM 973 C ASP A 67 7.241 3.044 -6.716 1.00 0.00 C ATOM 974 O ASP A 67 8.089 3.232 -5.844 1.00 0.00 O ATOM 975 CB ASP A 67 5.230 4.143 -5.779 1.00 0.00 C ATOM 976 CG ASP A 67 6.220 4.941 -4.926 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.489 4.483 -3.793 1.00 0.00 O ATOM 978 OD2 ASP A 67 6.684 5.989 -5.423 1.00 0.00 O ATOM 0 H ASP A 67 5.436 2.070 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 67 5.185 2.538 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.903 4.768 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.347 3.926 -5.177 1.00 0.00 H new ATOM 983 N GLY A 68 7.496 3.012 -8.016 1.00 0.00 N ATOM 984 CA GLY A 68 8.845 3.202 -8.519 1.00 0.00 C ATOM 985 C GLY A 68 9.593 1.870 -8.599 1.00 0.00 C ATOM 986 O GLY A 68 10.622 1.772 -9.266 1.00 0.00 O ATOM 0 H GLY A 68 6.790 2.857 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.807 3.662 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.386 3.889 -7.868 1.00 0.00 H new ATOM 990 N ARG A 69 9.048 0.878 -7.911 1.00 0.00 N ATOM 991 CA ARG A 69 9.650 -0.443 -7.897 1.00 0.00 C ATOM 992 C ARG A 69 8.564 -1.522 -7.834 1.00 0.00 C ATOM 993 O ARG A 69 7.810 -1.591 -6.865 1.00 0.00 O ATOM 994 CB ARG A 69 10.592 -0.607 -6.701 1.00 0.00 C ATOM 995 CG ARG A 69 11.552 0.579 -6.594 1.00 0.00 C ATOM 996 CD ARG A 69 10.885 1.764 -5.895 1.00 0.00 C ATOM 997 NE ARG A 69 11.248 3.026 -6.579 1.00 0.00 N ATOM 998 CZ ARG A 69 10.952 4.245 -6.111 1.00 0.00 C ATOM 999 NH1 ARG A 69 10.288 4.378 -4.955 1.00 0.00 N ATOM 1000 NH2 ARG A 69 11.322 5.335 -6.800 1.00 0.00 N ATOM 0 H ARG A 69 8.195 0.963 -7.359 1.00 0.00 H new ATOM 0 HA ARG A 69 10.225 -0.555 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.010 -0.692 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.160 -1.531 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.443 0.281 -6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.879 0.877 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.802 1.637 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.197 1.804 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 69 11.755 2.963 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.007 3.550 -4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.063 5.307 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.828 5.235 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.097 6.264 -6.444 1.00 0.00 H new ATOM 1014 N SER A 70 8.523 -2.335 -8.879 1.00 0.00 N ATOM 1015 CA SER A 70 7.543 -3.405 -8.954 1.00 0.00 C ATOM 1016 C SER A 70 8.062 -4.641 -8.218 1.00 0.00 C ATOM 1017 O SER A 70 8.598 -5.558 -8.837 1.00 0.00 O ATOM 1018 CB SER A 70 7.218 -3.752 -10.408 1.00 0.00 C ATOM 1019 OG SER A 70 6.215 -2.895 -10.949 1.00 0.00 O ATOM 0 H SER A 70 9.152 -2.275 -9.680 1.00 0.00 H new ATOM 0 HA SER A 70 6.625 -3.063 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.123 -3.676 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.881 -4.787 -10.467 1.00 0.00 H new ATOM 0 HG SER A 70 6.036 -3.147 -11.879 1.00 0.00 H new ATOM 1025 N LEU A 71 7.882 -4.626 -6.904 1.00 0.00 N ATOM 1026 CA LEU A 71 8.325 -5.734 -6.077 1.00 0.00 C ATOM 1027 C LEU A 71 7.643 -7.022 -6.546 1.00 0.00 C ATOM 1028 O LEU A 71 8.310 -8.016 -6.829 1.00 0.00 O ATOM 1029 CB LEU A 71 8.099 -5.424 -4.597 1.00 0.00 C ATOM 1030 CG LEU A 71 8.567 -4.047 -4.122 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.618 -3.478 -3.065 1.00 0.00 C ATOM 1032 CD2 LEU A 71 10.012 -4.102 -3.622 1.00 0.00 C ATOM 0 H LEU A 71 7.436 -3.864 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 71 9.399 -5.883 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.034 -5.517 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.609 -6.184 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 71 8.545 -3.367 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.975 -2.499 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.619 -3.380 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.584 -4.150 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.320 -3.111 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.082 -4.802 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.664 -4.433 -4.430 1.00 0.00 H new ATOM 1044 N VAL A 72 6.321 -6.960 -6.614 1.00 0.00 N ATOM 1045 CA VAL A 72 5.542 -8.108 -7.044 1.00 0.00 C ATOM 1046 C VAL A 72 5.365 -9.072 -5.868 1.00 0.00 C ATOM 1047 O VAL A 72 4.640 -10.059 -5.973 1.00 0.00 O ATOM 1048 CB VAL A 72 6.199 -8.764 -8.260 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.952 -7.729 -9.100 1.00 0.00 C ATOM 1050 CG2 VAL A 72 7.126 -9.903 -7.832 1.00 0.00 C ATOM 0 H VAL A 72 5.771 -6.134 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 72 4.547 -7.794 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 72 5.410 -9.189 -8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.410 -8.221 -9.958 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.255 -6.966 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.728 -7.262 -8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.581 -10.353 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.907 -9.511 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.551 -10.658 -7.295 1.00 0.00 H new ATOM 1060 N GLY A 73 6.041 -8.747 -4.775 1.00 0.00 N ATOM 1061 CA GLY A 73 5.969 -9.570 -3.580 1.00 0.00 C ATOM 1062 C GLY A 73 7.314 -9.600 -2.853 1.00 0.00 C ATOM 1063 O GLY A 73 7.869 -10.671 -2.611 1.00 0.00 O ATOM 0 H GLY A 73 6.640 -7.926 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.200 -9.182 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.675 -10.584 -3.850 1.00 0.00 H new ATOM 1067 N LEU A 74 7.801 -8.412 -2.526 1.00 0.00 N ATOM 1068 CA LEU A 74 9.071 -8.289 -1.830 1.00 0.00 C ATOM 1069 C LEU A 74 8.838 -7.655 -0.459 1.00 0.00 C ATOM 1070 O LEU A 74 7.724 -7.234 -0.146 1.00 0.00 O ATOM 1071 CB LEU A 74 10.082 -7.532 -2.694 1.00 0.00 C ATOM 1072 CG LEU A 74 10.257 -8.042 -4.126 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.426 -7.343 -4.819 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.402 -9.563 -4.152 1.00 0.00 C ATOM 0 H LEU A 74 7.339 -7.526 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 74 9.507 -9.273 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.781 -6.485 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.051 -7.565 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 74 9.356 -7.795 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.528 -7.725 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.240 -6.269 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.345 -7.536 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.525 -9.899 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.275 -9.855 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.510 -10.021 -3.725 1.00 0.00 H new ATOM 1086 N SER A 75 9.905 -7.607 0.325 1.00 0.00 N ATOM 1087 CA SER A 75 9.830 -7.031 1.658 1.00 0.00 C ATOM 1088 C SER A 75 9.686 -5.510 1.563 1.00 0.00 C ATOM 1089 O SER A 75 10.214 -4.890 0.641 1.00 0.00 O ATOM 1090 CB SER A 75 11.062 -7.397 2.486 1.00 0.00 C ATOM 1091 OG SER A 75 10.985 -8.723 3.002 1.00 0.00 O ATOM 0 H SER A 75 10.826 -7.957 0.063 1.00 0.00 H new ATOM 0 HA SER A 75 8.954 -7.442 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.955 -7.300 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.166 -6.693 3.311 1.00 0.00 H new ATOM 0 HG SER A 75 11.791 -8.918 3.523 1.00 0.00 H new ATOM 1097 N GLN A 76 8.968 -4.956 2.529 1.00 0.00 N ATOM 1098 CA GLN A 76 8.748 -3.521 2.566 1.00 0.00 C ATOM 1099 C GLN A 76 10.066 -2.787 2.820 1.00 0.00 C ATOM 1100 O GLN A 76 10.133 -1.564 2.708 1.00 0.00 O ATOM 1101 CB GLN A 76 7.704 -3.152 3.622 1.00 0.00 C ATOM 1102 CG GLN A 76 8.341 -3.042 5.009 1.00 0.00 C ATOM 1103 CD GLN A 76 8.533 -4.424 5.635 1.00 0.00 C ATOM 1104 OE1 GLN A 76 7.628 -5.003 6.215 1.00 0.00 O ATOM 1105 NE2 GLN A 76 9.758 -4.920 5.488 1.00 0.00 N ATOM 0 H GLN A 76 8.532 -5.475 3.291 1.00 0.00 H new ATOM 0 HA GLN A 76 8.362 -3.209 1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.234 -2.205 3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.916 -3.905 3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.304 -2.537 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.711 -2.431 5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.469 -4.383 4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.986 -5.837 5.872 1.00 0.00 H new ATOM 1114 N GLU A 77 11.084 -3.566 3.159 1.00 0.00 N ATOM 1115 CA GLU A 77 12.396 -3.005 3.431 1.00 0.00 C ATOM 1116 C GLU A 77 12.747 -1.944 2.387 1.00 0.00 C ATOM 1117 O GLU A 77 12.680 -0.748 2.666 1.00 0.00 O ATOM 1118 CB GLU A 77 13.462 -4.104 3.476 1.00 0.00 C ATOM 1119 CG GLU A 77 13.207 -5.068 4.635 1.00 0.00 C ATOM 1120 CD GLU A 77 14.281 -6.156 4.691 1.00 0.00 C ATOM 1121 OE1 GLU A 77 14.153 -7.121 3.908 1.00 0.00 O ATOM 1122 OE2 GLU A 77 15.208 -5.995 5.515 1.00 0.00 O ATOM 0 H GLU A 77 11.026 -4.580 3.251 1.00 0.00 H new ATOM 0 HA GLU A 77 12.370 -2.527 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.463 -4.654 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.449 -3.654 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.194 -4.516 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.225 -5.527 4.521 1.00 0.00 H new ATOM 1129 N ARG A 78 13.113 -2.419 1.206 1.00 0.00 N ATOM 1130 CA ARG A 78 13.475 -1.525 0.118 1.00 0.00 C ATOM 1131 C ARG A 78 12.394 -0.460 -0.075 1.00 0.00 C ATOM 1132 O ARG A 78 12.642 0.727 0.129 1.00 0.00 O ATOM 1133 CB ARG A 78 13.661 -2.296 -1.190 1.00 0.00 C ATOM 1134 CG ARG A 78 14.707 -3.401 -1.031 1.00 0.00 C ATOM 1135 CD ARG A 78 14.138 -4.760 -1.446 1.00 0.00 C ATOM 1136 NE ARG A 78 15.229 -5.753 -1.560 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.853 -6.307 -0.512 1.00 0.00 C ATOM 1138 NH1 ARG A 78 15.497 -5.970 0.734 1.00 0.00 N ATOM 1139 NH2 ARG A 78 16.832 -7.200 -0.710 1.00 0.00 N ATOM 0 H ARG A 78 13.167 -3.412 0.978 1.00 0.00 H new ATOM 0 HA ARG A 78 14.418 -1.047 0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.710 -2.732 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.968 -1.611 -1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.582 -3.168 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.041 -3.444 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.405 -5.096 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.617 -4.669 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 78 15.524 -6.033 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.751 -5.291 0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.972 -6.392 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.102 -7.458 -1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.307 -7.622 0.088 1.00 0.00 H new ATOM 1153 N ALA A 79 11.216 -0.923 -0.465 1.00 0.00 N ATOM 1154 CA ALA A 79 10.095 -0.026 -0.689 1.00 0.00 C ATOM 1155 C ALA A 79 9.996 0.960 0.478 1.00 0.00 C ATOM 1156 O ALA A 79 10.549 2.057 0.417 1.00 0.00 O ATOM 1157 CB ALA A 79 8.815 -0.842 -0.872 1.00 0.00 C ATOM 0 H ALA A 79 11.013 -1.909 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 79 10.244 0.554 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.975 -0.168 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.926 -1.505 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.631 -1.435 0.023 1.00 0.00 H new ATOM 1163 N ALA A 80 9.290 0.532 1.513 1.00 0.00 N ATOM 1164 CA ALA A 80 9.112 1.363 2.694 1.00 0.00 C ATOM 1165 C ALA A 80 9.851 2.687 2.495 1.00 0.00 C ATOM 1166 O ALA A 80 9.262 3.673 2.056 1.00 0.00 O ATOM 1167 CB ALA A 80 9.596 0.603 3.931 1.00 0.00 C ATOM 0 H ALA A 80 8.834 -0.379 1.560 1.00 0.00 H new ATOM 0 HA ALA A 80 8.058 1.594 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.463 1.226 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.019 -0.315 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.652 0.356 3.817 1.00 0.00 H new ATOM 1173 N GLU A 81 11.134 2.667 2.828 1.00 0.00 N ATOM 1174 CA GLU A 81 11.961 3.853 2.692 1.00 0.00 C ATOM 1175 C GLU A 81 11.669 4.556 1.365 1.00 0.00 C ATOM 1176 O GLU A 81 11.141 5.667 1.349 1.00 0.00 O ATOM 1177 CB GLU A 81 13.446 3.505 2.812 1.00 0.00 C ATOM 1178 CG GLU A 81 14.309 4.768 2.811 1.00 0.00 C ATOM 1179 CD GLU A 81 15.591 4.556 3.620 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.473 4.483 4.863 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.659 4.474 2.978 1.00 0.00 O ATOM 0 H GLU A 81 11.620 1.847 3.192 1.00 0.00 H new ATOM 0 HA GLU A 81 11.715 4.536 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.618 2.944 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.740 2.859 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.562 5.039 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.743 5.600 3.230 1.00 0.00 H new ATOM 1188 N LEU A 82 12.025 3.879 0.282 1.00 0.00 N ATOM 1189 CA LEU A 82 11.806 4.425 -1.047 1.00 0.00 C ATOM 1190 C LEU A 82 10.309 4.406 -1.362 1.00 0.00 C ATOM 1191 O LEU A 82 9.909 4.611 -2.507 1.00 0.00 O ATOM 1192 CB LEU A 82 12.661 3.682 -2.077 1.00 0.00 C ATOM 1193 CG LEU A 82 13.456 4.559 -3.046 1.00 0.00 C ATOM 1194 CD1 LEU A 82 12.604 5.723 -3.557 1.00 0.00 C ATOM 1195 CD2 LEU A 82 14.759 5.041 -2.405 1.00 0.00 C ATOM 0 H LEU A 82 12.463 2.958 0.298 1.00 0.00 H new ATOM 0 HA LEU A 82 12.127 5.466 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.360 3.039 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.009 3.031 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 82 13.727 3.954 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.193 6.331 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.729 5.333 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.282 6.336 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.305 5.662 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.532 5.624 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.370 4.181 -2.131 1.00 0.00 H new ATOM 1207 N MET A 83 9.522 4.157 -0.325 1.00 0.00 N ATOM 1208 CA MET A 83 8.078 4.111 -0.475 1.00 0.00 C ATOM 1209 C MET A 83 7.399 5.148 0.420 1.00 0.00 C ATOM 1210 O MET A 83 6.216 5.444 0.248 1.00 0.00 O ATOM 1211 CB MET A 83 7.571 2.714 -0.114 1.00 0.00 C ATOM 1212 CG MET A 83 6.096 2.551 -0.485 1.00 0.00 C ATOM 1213 SD MET A 83 5.552 0.893 -0.112 1.00 0.00 S ATOM 1214 CE MET A 83 5.502 0.978 1.671 1.00 0.00 C ATOM 0 H MET A 83 9.858 3.985 0.623 1.00 0.00 H new ATOM 0 HA MET A 83 7.833 4.339 -1.512 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.165 1.962 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.702 2.541 0.954 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.492 3.273 0.065 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.954 2.759 -1.546 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.070 0.148 2.091 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.938 1.920 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.468 0.918 2.009 1.00 0.00 H new ATOM 1224 N THR A 84 8.173 5.672 1.358 1.00 0.00 N ATOM 1225 CA THR A 84 7.661 6.670 2.282 1.00 0.00 C ATOM 1226 C THR A 84 7.894 8.079 1.729 1.00 0.00 C ATOM 1227 O THR A 84 6.964 8.878 1.646 1.00 0.00 O ATOM 1228 CB THR A 84 8.317 6.436 3.643 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.390 5.017 3.753 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.417 6.855 4.807 1.00 0.00 C ATOM 0 H THR A 84 9.152 5.424 1.499 1.00 0.00 H new ATOM 0 HA THR A 84 6.582 6.577 2.405 1.00 0.00 H new ATOM 0 HB THR A 84 9.255 6.988 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.135 4.685 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.931 6.668 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.186 7.917 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.492 6.279 4.777 1.00 0.00 H new ATOM 1238 N ARG A 85 9.142 8.338 1.365 1.00 0.00 N ATOM 1239 CA ARG A 85 9.510 9.635 0.825 1.00 0.00 C ATOM 1240 C ARG A 85 8.862 9.840 -0.547 1.00 0.00 C ATOM 1241 O ARG A 85 9.545 10.150 -1.520 1.00 0.00 O ATOM 1242 CB ARG A 85 11.028 9.764 0.687 1.00 0.00 C ATOM 1243 CG ARG A 85 11.513 11.118 1.212 1.00 0.00 C ATOM 1244 CD ARG A 85 13.028 11.113 1.426 1.00 0.00 C ATOM 1245 NE ARG A 85 13.407 12.179 2.380 1.00 0.00 N ATOM 1246 CZ ARG A 85 14.671 12.508 2.674 1.00 0.00 C ATOM 1247 NH1 ARG A 85 15.686 11.857 2.089 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.922 13.488 3.552 1.00 0.00 N ATOM 0 H ARG A 85 9.911 7.671 1.434 1.00 0.00 H new ATOM 0 HA ARG A 85 9.154 10.397 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.517 8.960 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.313 9.652 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.245 11.903 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.010 11.349 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.347 10.143 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.539 11.266 0.475 1.00 0.00 H new ATOM 0 HE ARG A 85 12.659 12.695 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.495 11.111 1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.649 12.108 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.150 13.984 3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.885 13.738 3.776 1.00 0.00 H new ATOM 1262 N THR A 86 7.549 9.659 -0.578 1.00 0.00 N ATOM 1263 CA THR A 86 6.802 9.822 -1.813 1.00 0.00 C ATOM 1264 C THR A 86 6.337 11.270 -1.969 1.00 0.00 C ATOM 1265 O THR A 86 6.626 11.914 -2.977 1.00 0.00 O ATOM 1266 CB THR A 86 5.651 8.811 -1.806 1.00 0.00 C ATOM 1267 OG1 THR A 86 6.258 7.592 -2.223 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.612 9.101 -2.890 1.00 0.00 C ATOM 0 H THR A 86 6.985 9.401 0.232 1.00 0.00 H new ATOM 0 HA THR A 86 7.427 9.620 -2.683 1.00 0.00 H new ATOM 0 HB THR A 86 5.167 8.817 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.352 7.590 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.818 8.356 -2.842 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.189 10.093 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.088 9.061 -3.870 1.00 0.00 H new ATOM 1276 N SER A 87 5.625 11.743 -0.957 1.00 0.00 N ATOM 1277 CA SER A 87 5.116 13.104 -0.969 1.00 0.00 C ATOM 1278 C SER A 87 4.814 13.537 -2.405 1.00 0.00 C ATOM 1279 O SER A 87 5.622 14.216 -3.037 1.00 0.00 O ATOM 1280 CB SER A 87 6.114 14.070 -0.323 1.00 0.00 C ATOM 1281 OG SER A 87 5.828 14.288 1.055 1.00 0.00 O ATOM 0 H SER A 87 5.388 11.207 -0.122 1.00 0.00 H new ATOM 0 HA SER A 87 4.195 13.130 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.123 13.671 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.092 15.022 -0.853 1.00 0.00 H new ATOM 0 HG SER A 87 6.487 14.908 1.432 1.00 0.00 H new ATOM 1287 N SER A 88 3.646 13.127 -2.880 1.00 0.00 N ATOM 1288 CA SER A 88 3.227 13.462 -4.228 1.00 0.00 C ATOM 1289 C SER A 88 2.267 12.396 -4.759 1.00 0.00 C ATOM 1290 O SER A 88 1.178 12.716 -5.232 1.00 0.00 O ATOM 1291 CB SER A 88 4.431 13.603 -5.160 1.00 0.00 C ATOM 1292 OG SER A 88 4.924 14.940 -5.197 1.00 0.00 O ATOM 0 H SER A 88 2.977 12.565 -2.353 1.00 0.00 H new ATOM 0 HA SER A 88 2.712 14.422 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.225 12.933 -4.830 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.149 13.293 -6.166 1.00 0.00 H new ATOM 0 HG SER A 88 5.380 15.144 -4.354 1.00 0.00 H new ATOM 1298 N VAL A 89 2.705 11.149 -4.663 1.00 0.00 N ATOM 1299 CA VAL A 89 1.899 10.034 -5.127 1.00 0.00 C ATOM 1300 C VAL A 89 2.628 8.722 -4.826 1.00 0.00 C ATOM 1301 O VAL A 89 3.762 8.525 -5.263 1.00 0.00 O ATOM 1302 CB VAL A 89 1.570 10.208 -6.610 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.582 9.467 -7.487 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.142 9.749 -6.913 1.00 0.00 C ATOM 0 H VAL A 89 3.609 10.887 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 89 0.947 10.005 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 89 1.637 11.270 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.325 9.607 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.581 9.862 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.562 8.404 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.066 9.884 -7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.035 8.696 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.562 10.340 -6.328 1.00 0.00 H new ATOM 1314 N VAL A 90 1.949 7.862 -4.082 1.00 0.00 N ATOM 1315 CA VAL A 90 2.518 6.575 -3.718 1.00 0.00 C ATOM 1316 C VAL A 90 1.715 5.459 -4.389 1.00 0.00 C ATOM 1317 O VAL A 90 0.632 5.104 -3.925 1.00 0.00 O ATOM 1318 CB VAL A 90 2.574 6.440 -2.196 1.00 0.00 C ATOM 1319 CG1 VAL A 90 4.006 6.183 -1.721 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.983 7.675 -1.513 1.00 0.00 C ATOM 0 H VAL A 90 1.010 8.031 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 90 3.545 6.496 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 90 1.967 5.579 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.018 6.091 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.377 5.261 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.644 7.014 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.035 7.553 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.550 8.559 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.942 7.795 -1.815 1.00 0.00 H new ATOM 1330 N THR A 91 2.277 4.938 -5.470 1.00 0.00 N ATOM 1331 CA THR A 91 1.625 3.869 -6.208 1.00 0.00 C ATOM 1332 C THR A 91 2.164 2.507 -5.764 1.00 0.00 C ATOM 1333 O THR A 91 3.329 2.188 -6.002 1.00 0.00 O ATOM 1334 CB THR A 91 1.819 4.140 -7.702 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.210 4.420 -7.826 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.136 5.432 -8.156 1.00 0.00 C ATOM 0 H THR A 91 3.175 5.235 -5.852 1.00 0.00 H new ATOM 0 HA THR A 91 0.555 3.843 -6.002 1.00 0.00 H new ATOM 0 HB THR A 91 1.427 3.301 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.424 4.606 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.304 5.577 -9.223 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.065 5.365 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.551 6.276 -7.605 1.00 0.00 H new ATOM 1344 N LEU A 92 1.292 1.741 -5.125 1.00 0.00 N ATOM 1345 CA LEU A 92 1.666 0.421 -4.643 1.00 0.00 C ATOM 1346 C LEU A 92 0.675 -0.612 -5.182 1.00 0.00 C ATOM 1347 O LEU A 92 -0.474 -0.282 -5.475 1.00 0.00 O ATOM 1348 CB LEU A 92 1.788 0.422 -3.119 1.00 0.00 C ATOM 1349 CG LEU A 92 1.813 1.797 -2.447 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.779 1.663 -0.925 1.00 0.00 C ATOM 1351 CD2 LEU A 92 3.014 2.617 -2.924 1.00 0.00 C ATOM 0 H LEU A 92 0.327 2.009 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 92 2.651 0.143 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.954 -0.146 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.700 -0.109 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 92 0.915 2.339 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.798 2.654 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.868 1.144 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.647 1.095 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.009 3.590 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.936 2.090 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.954 2.756 -4.003 1.00 0.00 H new ATOM 1363 N GLU A 93 1.155 -1.841 -5.297 1.00 0.00 N ATOM 1364 CA GLU A 93 0.325 -2.926 -5.795 1.00 0.00 C ATOM 1365 C GLU A 93 -0.274 -3.713 -4.629 1.00 0.00 C ATOM 1366 O GLU A 93 0.433 -4.454 -3.946 1.00 0.00 O ATOM 1367 CB GLU A 93 1.123 -3.844 -6.725 1.00 0.00 C ATOM 1368 CG GLU A 93 0.250 -4.352 -7.873 1.00 0.00 C ATOM 1369 CD GLU A 93 0.915 -5.532 -8.586 1.00 0.00 C ATOM 1370 OE1 GLU A 93 0.836 -6.649 -8.030 1.00 0.00 O ATOM 1371 OE2 GLU A 93 1.486 -5.289 -9.669 1.00 0.00 O ATOM 0 H GLU A 93 2.108 -2.110 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.492 -2.497 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.981 -3.304 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.515 -4.689 -6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.723 -4.657 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.073 -3.545 -8.584 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.572 -3.527 -4.437 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.275 -4.212 -3.365 1.00 0.00 C ATOM 1380 C VAL A 94 -3.273 -5.203 -3.966 1.00 0.00 C ATOM 1381 O VAL A 94 -3.599 -5.121 -5.149 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.934 -3.190 -2.435 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.880 -2.364 -1.695 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.896 -2.288 -3.208 1.00 0.00 C ATOM 0 H VAL A 94 -2.155 -2.912 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.576 -4.784 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.513 -3.737 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.374 -1.646 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.252 -3.026 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.262 -1.831 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.351 -1.571 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.349 -1.753 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.675 -2.896 -3.667 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.729 -6.119 -3.126 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.685 -7.125 -3.559 1.00 0.00 C ATOM 1396 C ALA A 95 -5.741 -7.321 -2.470 1.00 0.00 C ATOM 1397 O ALA A 95 -5.408 -7.457 -1.294 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.942 -8.421 -3.893 1.00 0.00 C ATOM 0 H ALA A 95 -3.454 -6.186 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.202 -6.802 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.657 -9.177 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.224 -8.233 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.415 -8.777 -3.008 1.00 0.00 H new ATOM 1404 N LYS A 96 -6.993 -7.331 -2.902 1.00 0.00 N ATOM 1405 CA LYS A 96 -8.102 -7.510 -1.979 1.00 0.00 C ATOM 1406 C LYS A 96 -8.119 -8.957 -1.483 1.00 0.00 C ATOM 1407 O LYS A 96 -7.938 -9.888 -2.266 1.00 0.00 O ATOM 1408 CB LYS A 96 -9.416 -7.066 -2.626 1.00 0.00 C ATOM 1409 CG LYS A 96 -10.086 -5.964 -1.805 1.00 0.00 C ATOM 1410 CD LYS A 96 -11.149 -6.546 -0.872 1.00 0.00 C ATOM 1411 CE LYS A 96 -11.197 -5.779 0.452 1.00 0.00 C ATOM 1412 NZ LYS A 96 -12.595 -5.457 0.816 1.00 0.00 N ATOM 0 H LYS A 96 -7.265 -7.218 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.974 -6.874 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.224 -6.706 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.089 -7.919 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.335 -5.433 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.543 -5.235 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.125 -6.504 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.933 -7.597 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.738 -6.375 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.616 -4.860 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.608 -4.937 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.021 -4.870 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.139 -6.338 0.917 1.00 0.00 H new ATOM 1426 N GLN A 97 -8.338 -9.102 -0.184 1.00 0.00 N ATOM 1427 CA GLN A 97 -8.382 -10.421 0.425 1.00 0.00 C ATOM 1428 C GLN A 97 -9.131 -10.365 1.759 1.00 0.00 C ATOM 1429 O GLN A 97 -10.215 -10.927 1.890 1.00 0.00 O ATOM 1430 CB GLN A 97 -6.972 -10.985 0.611 1.00 0.00 C ATOM 1431 CG GLN A 97 -7.021 -12.430 1.110 1.00 0.00 C ATOM 1432 CD GLN A 97 -6.058 -13.317 0.318 1.00 0.00 C ATOM 1433 OE1 GLN A 97 -4.885 -13.437 0.629 1.00 0.00 O ATOM 1434 NE2 GLN A 97 -6.619 -13.930 -0.721 1.00 0.00 N ATOM 0 H GLN A 97 -8.487 -8.328 0.463 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.921 -11.092 -0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.431 -10.941 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.421 -10.369 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.763 -12.462 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.036 -12.816 1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.608 -13.785 -0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.060 -14.545 -1.313 1.00 0.00 H new ATOM 1443 N GLY A 98 -8.519 -9.680 2.715 1.00 0.00 N ATOM 1444 CA GLY A 98 -9.114 -9.544 4.033 1.00 0.00 C ATOM 1445 C GLY A 98 -8.279 -10.269 5.090 1.00 0.00 C ATOM 1446 O GLY A 98 -8.165 -11.494 5.064 1.00 0.00 O ATOM 0 H GLY A 98 -7.619 -9.214 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.197 -8.488 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.126 -9.950 4.023 1.00 0.00 H new ATOM 1450 N ALA A 99 -7.713 -9.483 5.993 1.00 0.00 N ATOM 1451 CA ALA A 99 -6.891 -10.035 7.057 1.00 0.00 C ATOM 1452 C ALA A 99 -6.579 -8.938 8.076 1.00 0.00 C ATOM 1453 O ALA A 99 -6.833 -7.761 7.826 1.00 0.00 O ATOM 1454 CB ALA A 99 -5.626 -10.651 6.457 1.00 0.00 C ATOM 0 H ALA A 99 -7.807 -8.468 6.010 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.423 -10.829 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.009 -11.065 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.902 -11.445 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.064 -9.883 5.926 1.00 0.00 H new ATOM 1460 N ILE A 100 -6.032 -9.363 9.207 1.00 0.00 N ATOM 1461 CA ILE A 100 -5.681 -8.430 10.266 1.00 0.00 C ATOM 1462 C ILE A 100 -4.870 -9.165 11.336 1.00 0.00 C ATOM 1463 O ILE A 100 -4.932 -10.388 11.436 1.00 0.00 O ATOM 1464 CB ILE A 100 -6.936 -7.741 10.807 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -6.567 -6.637 11.801 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -7.902 -8.760 11.413 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -7.678 -5.590 11.893 1.00 0.00 C ATOM 0 H ILE A 100 -5.824 -10.340 9.413 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.048 -7.631 9.880 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.453 -7.265 9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.390 -7.072 12.785 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.637 -6.160 11.492 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.785 -8.244 11.790 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.200 -9.478 10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.411 -9.285 12.232 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.391 -4.817 12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.836 -5.140 10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.600 -6.066 12.226 1.00 0.00 H new ATOM 1479 N TYR A 101 -4.129 -8.384 12.109 1.00 0.00 N ATOM 1480 CA TYR A 101 -3.307 -8.943 13.169 1.00 0.00 C ATOM 1481 C TYR A 101 -2.636 -7.836 13.984 1.00 0.00 C ATOM 1482 O TYR A 101 -3.306 -7.105 14.713 1.00 0.00 O ATOM 1483 CB TYR A 101 -2.228 -9.773 12.471 1.00 0.00 C ATOM 1484 CG TYR A 101 -1.358 -10.592 13.427 1.00 0.00 C ATOM 1485 CD1 TYR A 101 -0.236 -10.029 13.997 1.00 0.00 C ATOM 1486 CD2 TYR A 101 -1.698 -11.899 13.718 1.00 0.00 C ATOM 1487 CE1 TYR A 101 0.581 -10.801 14.897 1.00 0.00 C ATOM 1488 CE2 TYR A 101 -0.880 -12.672 14.616 1.00 0.00 C ATOM 1489 CZ TYR A 101 0.218 -12.085 15.161 1.00 0.00 C ATOM 1490 OH TYR A 101 0.991 -12.815 16.011 1.00 0.00 O ATOM 0 H TYR A 101 -4.081 -7.369 12.022 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.913 -9.536 13.854 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -2.706 -10.449 11.762 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -1.587 -9.106 11.894 1.00 0.00 H new ATOM 0 HD1 TYR A 101 0.030 -9.008 13.768 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -2.577 -12.341 13.272 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.461 -10.371 15.352 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.133 -13.695 14.851 1.00 0.00 H new ATOM 0 HH TYR A 101 0.612 -13.714 16.108 1.00 0.00 H new TER 1500 TYR A 101