USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.3) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 10 HIS : no HE2:sc= 0.0746 K(o=0.075,f=-1.8) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.048) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0468 K(o=-0.047,f=-0.93) USER MOD Single : A 21 SER OG : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.07 K(o=-2.1,f=-8.7!) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.297) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -59:sc= 1.15 USER MOD Single : A 49 MET CE :methyl -134:sc= -0.168 (180deg=-1.67) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= -0.307 (180deg=-1.42!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -171:sc= -1.36 (180deg=-1.56) USER MOD Single : A 60 THR OG1 : rot 130:sc= 0.548 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 168:sc= -2.38 USER MOD Single : A 70 THR OG1 : rot -72:sc= -0.136 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -83:sc= 0.41 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -1.76 F(o=-2.6!,f=-1.8) USER MOD Single : A 94 ASN :FLIP amide:sc= -3.64 F(o=-5!,f=-3.6) USER MOD Single : A 99 GLN : amide:sc= -0.881 X(o=-0.88,f=-0.7) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 113 SER OG : rot -28:sc= 1.51 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0243 F(o=-1.9!,f=-0.024) USER MOD Single : A 124 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 124:sc= 1.25 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.972 19.242 -4.896 1.00 0.00 N ATOM 2 CA GLY A 1 -37.651 18.884 -4.409 1.00 0.00 C ATOM 3 C GLY A 1 -36.597 19.055 -5.505 1.00 0.00 C ATOM 4 O GLY A 1 -36.080 20.153 -5.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.669 19.117 -4.134 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.971 20.235 -5.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.224 18.630 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.394 19.507 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.655 17.851 -4.062 1.00 0.00 H new ATOM 8 N SER A 2 -36.310 17.954 -6.183 1.00 0.00 N ATOM 9 CA SER A 2 -35.328 17.968 -7.253 1.00 0.00 C ATOM 10 C SER A 2 -36.013 17.711 -8.596 1.00 0.00 C ATOM 11 O SER A 2 -37.200 17.391 -8.640 1.00 0.00 O ATOM 12 CB SER A 2 -34.232 16.929 -7.008 1.00 0.00 C ATOM 13 OG SER A 2 -34.743 15.599 -7.030 1.00 0.00 O ATOM 0 H SER A 2 -36.741 17.045 -6.012 1.00 0.00 H new ATOM 0 HA SER A 2 -34.860 18.952 -7.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.458 17.033 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.760 17.120 -6.044 1.00 0.00 H new ATOM 0 HG SER A 2 -34.013 14.965 -6.871 1.00 0.00 H new ATOM 19 N SER A 3 -35.236 17.860 -9.659 1.00 0.00 N ATOM 20 CA SER A 3 -35.753 17.648 -11.000 1.00 0.00 C ATOM 21 C SER A 3 -35.391 16.243 -11.484 1.00 0.00 C ATOM 22 O SER A 3 -34.475 15.616 -10.953 1.00 0.00 O ATOM 23 CB SER A 3 -35.214 18.700 -11.971 1.00 0.00 C ATOM 24 OG SER A 3 -36.115 19.791 -12.131 1.00 0.00 O ATOM 0 H SER A 3 -34.252 18.125 -9.618 1.00 0.00 H new ATOM 0 HA SER A 3 -36.838 17.746 -10.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.256 19.072 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.029 18.237 -12.941 1.00 0.00 H new ATOM 0 HG SER A 3 -35.733 20.441 -12.757 1.00 0.00 H new ATOM 30 N GLY A 4 -36.128 15.788 -12.487 1.00 0.00 N ATOM 31 CA GLY A 4 -35.895 14.469 -13.049 1.00 0.00 C ATOM 32 C GLY A 4 -35.103 14.560 -14.355 1.00 0.00 C ATOM 33 O GLY A 4 -34.073 15.229 -14.414 1.00 0.00 O ATOM 0 H GLY A 4 -36.887 16.310 -12.925 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.350 13.855 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.849 13.974 -13.232 1.00 0.00 H new ATOM 37 N SER A 5 -35.615 13.878 -15.369 1.00 0.00 N ATOM 38 CA SER A 5 -34.968 13.875 -16.670 1.00 0.00 C ATOM 39 C SER A 5 -33.587 13.224 -16.566 1.00 0.00 C ATOM 40 O SER A 5 -32.775 13.613 -15.728 1.00 0.00 O ATOM 41 CB SER A 5 -34.845 15.294 -17.229 1.00 0.00 C ATOM 42 OG SER A 5 -35.971 15.652 -18.026 1.00 0.00 O ATOM 0 H SER A 5 -36.470 13.324 -15.316 1.00 0.00 H new ATOM 0 HA SER A 5 -35.585 13.296 -17.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.744 16.001 -16.405 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.938 15.371 -17.828 1.00 0.00 H new ATOM 0 HG SER A 5 -35.856 16.565 -18.363 1.00 0.00 H new ATOM 48 N SER A 6 -33.363 12.245 -17.430 1.00 0.00 N ATOM 49 CA SER A 6 -32.094 11.536 -17.445 1.00 0.00 C ATOM 50 C SER A 6 -31.926 10.794 -18.773 1.00 0.00 C ATOM 51 O SER A 6 -32.863 10.710 -19.564 1.00 0.00 O ATOM 52 CB SER A 6 -31.995 10.558 -16.273 1.00 0.00 C ATOM 53 OG SER A 6 -30.726 10.625 -15.628 1.00 0.00 O ATOM 0 H SER A 6 -34.038 11.926 -18.125 1.00 0.00 H new ATOM 0 HA SER A 6 -31.292 12.267 -17.340 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.781 10.777 -15.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.166 9.543 -16.632 1.00 0.00 H new ATOM 0 HG SER A 6 -30.703 9.987 -14.884 1.00 0.00 H new ATOM 59 N GLY A 7 -30.724 10.274 -18.975 1.00 0.00 N ATOM 60 CA GLY A 7 -30.421 9.541 -20.192 1.00 0.00 C ATOM 61 C GLY A 7 -28.944 9.685 -20.565 1.00 0.00 C ATOM 62 O GLY A 7 -28.577 10.576 -21.330 1.00 0.00 O ATOM 0 H GLY A 7 -29.949 10.346 -18.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.665 8.487 -20.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.043 9.910 -21.007 1.00 0.00 H new ATOM 66 N HIS A 8 -28.137 8.794 -20.008 1.00 0.00 N ATOM 67 CA HIS A 8 -26.708 8.810 -20.273 1.00 0.00 C ATOM 68 C HIS A 8 -26.050 7.597 -19.612 1.00 0.00 C ATOM 69 O HIS A 8 -26.694 6.872 -18.856 1.00 0.00 O ATOM 70 CB HIS A 8 -26.088 10.136 -19.827 1.00 0.00 C ATOM 71 CG HIS A 8 -24.664 10.334 -20.289 1.00 0.00 C ATOM 72 ND1 HIS A 8 -23.617 10.561 -19.413 1.00 0.00 N ATOM 73 CD2 HIS A 8 -24.126 10.337 -21.542 1.00 0.00 C ATOM 74 CE1 HIS A 8 -22.503 10.693 -20.119 1.00 0.00 C ATOM 75 NE2 HIS A 8 -22.821 10.554 -21.438 1.00 0.00 N ATOM 0 H HIS A 8 -28.445 8.056 -19.374 1.00 0.00 H new ATOM 0 HA HIS A 8 -26.533 8.736 -21.346 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -26.699 10.956 -20.204 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -26.117 10.191 -18.739 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -24.670 10.188 -22.463 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -21.517 10.878 -19.720 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -22.164 10.608 -22.216 1.00 0.00 H new ATOM 83 N SER A 9 -24.775 7.414 -19.922 1.00 0.00 N ATOM 84 CA SER A 9 -24.022 6.301 -19.369 1.00 0.00 C ATOM 85 C SER A 9 -24.381 6.109 -17.894 1.00 0.00 C ATOM 86 O SER A 9 -24.587 7.082 -17.170 1.00 0.00 O ATOM 87 CB SER A 9 -22.517 6.523 -19.524 1.00 0.00 C ATOM 88 OG SER A 9 -22.074 7.688 -18.834 1.00 0.00 O ATOM 0 H SER A 9 -24.244 8.018 -20.549 1.00 0.00 H new ATOM 0 HA SER A 9 -24.287 5.400 -19.922 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.982 5.652 -19.146 1.00 0.00 H new ATOM 0 HB3 SER A 9 -22.271 6.613 -20.582 1.00 0.00 H new ATOM 0 HG SER A 9 -21.107 7.793 -18.957 1.00 0.00 H new ATOM 94 N HIS A 10 -24.445 4.848 -17.493 1.00 0.00 N ATOM 95 CA HIS A 10 -24.775 4.516 -16.117 1.00 0.00 C ATOM 96 C HIS A 10 -23.494 4.188 -15.347 1.00 0.00 C ATOM 97 O HIS A 10 -23.272 3.040 -14.966 1.00 0.00 O ATOM 98 CB HIS A 10 -25.805 3.387 -16.063 1.00 0.00 C ATOM 99 CG HIS A 10 -26.475 3.230 -14.719 1.00 0.00 C ATOM 100 ND1 HIS A 10 -25.768 3.002 -13.551 1.00 0.00 N ATOM 101 CD2 HIS A 10 -27.793 3.272 -14.369 1.00 0.00 C ATOM 102 CE1 HIS A 10 -26.632 2.912 -12.550 1.00 0.00 C ATOM 103 NE2 HIS A 10 -27.886 3.079 -13.060 1.00 0.00 N ATOM 0 H HIS A 10 -24.274 4.044 -18.097 1.00 0.00 H new ATOM 0 HA HIS A 10 -25.239 5.375 -15.633 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -26.569 3.569 -16.819 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -25.315 2.449 -16.325 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -24.754 2.918 -13.474 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -28.621 3.435 -15.044 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -26.386 2.737 -11.513 1.00 0.00 H new ATOM 111 N SER A 11 -22.686 5.217 -15.140 1.00 0.00 N ATOM 112 CA SER A 11 -21.434 5.053 -14.422 1.00 0.00 C ATOM 113 C SER A 11 -20.674 3.840 -14.965 1.00 0.00 C ATOM 114 O SER A 11 -20.729 2.758 -14.385 1.00 0.00 O ATOM 115 CB SER A 11 -21.676 4.897 -12.920 1.00 0.00 C ATOM 116 OG SER A 11 -21.381 6.093 -12.204 1.00 0.00 O ATOM 0 H SER A 11 -22.874 6.168 -15.457 1.00 0.00 H new ATOM 0 HA SER A 11 -20.833 5.950 -14.575 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.716 4.618 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.060 4.084 -12.536 1.00 0.00 H new ATOM 0 HG SER A 11 -21.550 5.953 -11.249 1.00 0.00 H new ATOM 122 N ASP A 12 -19.983 4.063 -16.074 1.00 0.00 N ATOM 123 CA ASP A 12 -19.213 3.003 -16.702 1.00 0.00 C ATOM 124 C ASP A 12 -17.771 3.473 -16.898 1.00 0.00 C ATOM 125 O ASP A 12 -17.373 3.821 -18.009 1.00 0.00 O ATOM 126 CB ASP A 12 -19.786 2.647 -18.075 1.00 0.00 C ATOM 127 CG ASP A 12 -20.681 1.406 -18.101 1.00 0.00 C ATOM 128 OD1 ASP A 12 -20.355 0.456 -17.358 1.00 0.00 O ATOM 129 OD2 ASP A 12 -21.671 1.437 -18.863 1.00 0.00 O ATOM 0 H ASP A 12 -19.941 4.962 -16.553 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.255 2.127 -16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.359 3.497 -18.444 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -18.959 2.495 -18.769 1.00 0.00 H new ATOM 134 N LYS A 13 -17.026 3.469 -15.802 1.00 0.00 N ATOM 135 CA LYS A 13 -15.636 3.890 -15.840 1.00 0.00 C ATOM 136 C LYS A 13 -14.740 2.716 -15.442 1.00 0.00 C ATOM 137 O LYS A 13 -14.742 2.292 -14.288 1.00 0.00 O ATOM 138 CB LYS A 13 -15.432 5.139 -14.980 1.00 0.00 C ATOM 139 CG LYS A 13 -15.899 4.897 -13.543 1.00 0.00 C ATOM 140 CD LYS A 13 -14.824 5.316 -12.539 1.00 0.00 C ATOM 141 CE LYS A 13 -15.450 5.738 -11.208 1.00 0.00 C ATOM 142 NZ LYS A 13 -15.156 7.161 -10.925 1.00 0.00 N ATOM 0 H LYS A 13 -17.359 3.181 -14.882 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.352 4.178 -16.852 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.378 5.418 -14.982 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.984 5.975 -15.410 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.815 5.457 -13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.137 3.842 -13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.134 4.489 -12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.241 6.141 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.528 5.583 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.063 5.113 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.588 7.431 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.127 7.299 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.547 7.754 -11.685 1.00 0.00 H new ATOM 156 N HIS A 14 -13.996 2.222 -16.422 1.00 0.00 N ATOM 157 CA HIS A 14 -13.097 1.105 -16.188 1.00 0.00 C ATOM 158 C HIS A 14 -12.353 1.312 -14.868 1.00 0.00 C ATOM 159 O HIS A 14 -12.085 2.446 -14.473 1.00 0.00 O ATOM 160 CB HIS A 14 -12.154 0.910 -17.376 1.00 0.00 C ATOM 161 CG HIS A 14 -12.860 0.664 -18.688 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.441 -0.551 -19.011 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.074 1.488 -19.753 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.976 -0.450 -20.218 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.748 0.813 -20.677 1.00 0.00 N ATOM 0 H HIS A 14 -13.998 2.575 -17.379 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.672 0.183 -16.099 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.523 1.794 -17.475 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.493 0.069 -17.168 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.750 2.515 -19.832 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.501 -1.232 -20.746 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.046 1.179 -21.581 1.00 0.00 H new ATOM 173 N PRO A 15 -12.032 0.170 -14.203 1.00 0.00 N ATOM 174 CA PRO A 15 -11.324 0.215 -12.935 1.00 0.00 C ATOM 175 C PRO A 15 -9.846 0.549 -13.144 1.00 0.00 C ATOM 176 O PRO A 15 -9.170 0.996 -12.219 1.00 0.00 O ATOM 177 CB PRO A 15 -11.541 -1.156 -12.315 1.00 0.00 C ATOM 178 CG PRO A 15 -11.965 -2.067 -13.455 1.00 0.00 C ATOM 179 CD PRO A 15 -12.334 -1.190 -14.640 1.00 0.00 C ATOM 0 HA PRO A 15 -11.693 1.000 -12.274 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.628 -1.520 -11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.307 -1.117 -11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.156 -2.747 -13.721 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.814 -2.682 -13.156 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.758 -1.458 -15.526 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.387 -1.298 -14.900 1.00 0.00 H new ATOM 187 N VAL A 16 -9.387 0.320 -14.366 1.00 0.00 N ATOM 188 CA VAL A 16 -8.002 0.591 -14.709 1.00 0.00 C ATOM 189 C VAL A 16 -7.942 1.778 -15.672 1.00 0.00 C ATOM 190 O VAL A 16 -8.777 1.899 -16.566 1.00 0.00 O ATOM 191 CB VAL A 16 -7.345 -0.670 -15.273 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.843 -0.463 -15.478 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.615 -1.878 -14.374 1.00 0.00 C ATOM 0 H VAL A 16 -9.951 -0.051 -15.131 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.436 0.865 -13.819 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.790 -0.871 -16.247 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.402 -1.375 -15.880 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.681 0.357 -16.177 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.375 -0.223 -14.523 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.137 -2.761 -14.798 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.211 -1.689 -13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.690 -2.046 -14.303 1.00 0.00 H new ATOM 203 N THR A 17 -6.946 2.625 -15.456 1.00 0.00 N ATOM 204 CA THR A 17 -6.766 3.799 -16.293 1.00 0.00 C ATOM 205 C THR A 17 -5.296 4.223 -16.309 1.00 0.00 C ATOM 206 O THR A 17 -4.692 4.421 -15.256 1.00 0.00 O ATOM 207 CB THR A 17 -7.708 4.891 -15.785 1.00 0.00 C ATOM 208 OG1 THR A 17 -7.901 4.571 -14.410 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.109 4.786 -16.392 1.00 0.00 C ATOM 0 H THR A 17 -6.255 2.521 -14.713 1.00 0.00 H new ATOM 0 HA THR A 17 -7.021 3.587 -17.331 1.00 0.00 H new ATOM 0 HB THR A 17 -7.286 5.869 -16.014 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.499 5.231 -14.001 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.737 5.585 -15.998 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.044 4.878 -17.476 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.545 3.821 -16.135 1.00 0.00 H new ATOM 217 N TRP A 18 -4.763 4.349 -17.515 1.00 0.00 N ATOM 218 CA TRP A 18 -3.375 4.746 -17.682 1.00 0.00 C ATOM 219 C TRP A 18 -3.348 6.037 -18.503 1.00 0.00 C ATOM 220 O TRP A 18 -3.628 6.022 -19.700 1.00 0.00 O ATOM 221 CB TRP A 18 -2.555 3.620 -18.313 1.00 0.00 C ATOM 222 CG TRP A 18 -2.389 2.392 -17.415 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.175 1.309 -17.346 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.335 2.165 -16.456 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.706 0.404 -16.415 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.552 0.941 -15.857 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.235 2.967 -16.106 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.711 0.410 -14.872 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.596 2.422 -15.119 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.391 1.192 -14.507 1.00 0.00 C ATOM 0 H TRP A 18 -5.267 4.183 -18.386 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.910 4.938 -16.715 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.032 3.315 -19.244 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.568 4.004 -18.572 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.063 1.163 -17.943 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.129 -0.494 -16.180 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.046 3.927 -16.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.902 -0.551 -14.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.456 2.998 -14.812 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.079 0.840 -13.753 1.00 0.00 H new ATOM 241 N GLN A 19 -3.009 7.124 -17.825 1.00 0.00 N ATOM 242 CA GLN A 19 -2.941 8.421 -18.477 1.00 0.00 C ATOM 243 C GLN A 19 -1.682 9.171 -18.037 1.00 0.00 C ATOM 244 O GLN A 19 -1.192 8.971 -16.927 1.00 0.00 O ATOM 245 CB GLN A 19 -4.198 9.245 -18.189 1.00 0.00 C ATOM 246 CG GLN A 19 -5.442 8.567 -18.767 1.00 0.00 C ATOM 247 CD GLN A 19 -5.617 8.911 -20.247 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.362 10.020 -20.687 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.066 7.902 -20.988 1.00 0.00 N ATOM 0 H GLN A 19 -2.779 7.133 -16.831 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.888 8.262 -19.554 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.315 9.372 -17.113 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.090 10.241 -18.618 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.360 7.487 -18.649 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.324 8.882 -18.210 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.260 6.999 -20.556 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.217 8.032 -21.988 1.00 0.00 H new ATOM 258 N PRO A 20 -1.182 10.041 -18.955 1.00 0.00 N ATOM 259 CA PRO A 20 0.011 10.822 -18.673 1.00 0.00 C ATOM 260 C PRO A 20 -0.298 11.966 -17.706 1.00 0.00 C ATOM 261 O PRO A 20 -1.448 12.386 -17.583 1.00 0.00 O ATOM 262 CB PRO A 20 0.494 11.306 -20.031 1.00 0.00 C ATOM 263 CG PRO A 20 -0.695 11.172 -20.968 1.00 0.00 C ATOM 264 CD PRO A 20 -1.736 10.304 -20.280 1.00 0.00 C ATOM 0 HA PRO A 20 0.786 10.241 -18.173 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.835 12.340 -19.978 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.336 10.710 -20.381 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.110 12.153 -21.201 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.388 10.723 -21.913 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.696 10.815 -20.213 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.905 9.378 -20.829 1.00 0.00 H new ATOM 272 N SER A 21 0.748 12.439 -17.044 1.00 0.00 N ATOM 273 CA SER A 21 0.603 13.526 -16.092 1.00 0.00 C ATOM 274 C SER A 21 0.436 14.853 -16.834 1.00 0.00 C ATOM 275 O SER A 21 0.391 14.880 -18.063 1.00 0.00 O ATOM 276 CB SER A 21 1.803 13.594 -15.145 1.00 0.00 C ATOM 277 OG SER A 21 2.879 14.344 -15.701 1.00 0.00 O ATOM 0 H SER A 21 1.700 12.088 -17.149 1.00 0.00 H new ATOM 0 HA SER A 21 -0.288 13.338 -15.492 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.495 14.046 -14.202 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.144 12.584 -14.919 1.00 0.00 H new ATOM 0 HG SER A 21 3.558 14.502 -15.012 1.00 0.00 H new ATOM 283 N LYS A 22 0.351 15.923 -16.057 1.00 0.00 N ATOM 284 CA LYS A 22 0.191 17.250 -16.625 1.00 0.00 C ATOM 285 C LYS A 22 1.234 17.459 -17.725 1.00 0.00 C ATOM 286 O LYS A 22 0.892 17.823 -18.849 1.00 0.00 O ATOM 287 CB LYS A 22 0.236 18.313 -15.525 1.00 0.00 C ATOM 288 CG LYS A 22 -1.115 19.019 -15.389 1.00 0.00 C ATOM 289 CD LYS A 22 -2.075 18.201 -14.523 1.00 0.00 C ATOM 290 CE LYS A 22 -3.050 19.113 -13.775 1.00 0.00 C ATOM 291 NZ LYS A 22 -4.445 18.667 -13.989 1.00 0.00 N ATOM 0 H LYS A 22 0.390 15.897 -15.038 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.789 17.349 -17.092 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.505 17.849 -14.576 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.011 19.045 -15.753 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.971 20.005 -14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.551 19.172 -16.376 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.631 17.504 -15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.508 17.605 -13.808 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.819 19.106 -12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.933 20.140 -14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.094 19.297 -13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.667 18.696 -15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.556 17.694 -13.638 1.00 0.00 H new ATOM 305 N ASP A 23 2.485 17.218 -17.363 1.00 0.00 N ATOM 306 CA ASP A 23 3.580 17.374 -18.305 1.00 0.00 C ATOM 307 C ASP A 23 3.396 16.391 -19.462 1.00 0.00 C ATOM 308 O ASP A 23 3.155 16.801 -20.597 1.00 0.00 O ATOM 309 CB ASP A 23 4.926 17.075 -17.640 1.00 0.00 C ATOM 310 CG ASP A 23 5.519 18.231 -16.833 1.00 0.00 C ATOM 311 OD1 ASP A 23 4.980 18.493 -15.736 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.499 18.827 -17.330 1.00 0.00 O ATOM 0 H ASP A 23 2.765 16.916 -16.430 1.00 0.00 H new ATOM 0 HA ASP A 23 3.574 18.404 -18.661 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.805 16.216 -16.981 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.640 16.787 -18.412 1.00 0.00 H new ATOM 317 N GLY A 24 3.517 15.113 -19.136 1.00 0.00 N ATOM 318 CA GLY A 24 3.366 14.068 -20.134 1.00 0.00 C ATOM 319 C GLY A 24 4.536 13.083 -20.078 1.00 0.00 C ATOM 320 O GLY A 24 4.421 11.950 -20.543 1.00 0.00 O ATOM 0 H GLY A 24 3.718 14.777 -18.194 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.429 13.535 -19.969 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.309 14.514 -21.127 1.00 0.00 H new ATOM 324 N ASP A 25 5.635 13.551 -19.505 1.00 0.00 N ATOM 325 CA ASP A 25 6.824 12.726 -19.382 1.00 0.00 C ATOM 326 C ASP A 25 6.598 11.671 -18.297 1.00 0.00 C ATOM 327 O ASP A 25 7.426 10.782 -18.108 1.00 0.00 O ATOM 328 CB ASP A 25 8.038 13.566 -18.979 1.00 0.00 C ATOM 329 CG ASP A 25 8.127 14.938 -19.650 1.00 0.00 C ATOM 330 OD1 ASP A 25 8.215 14.955 -20.897 1.00 0.00 O ATOM 331 OD2 ASP A 25 8.105 15.938 -18.901 1.00 0.00 O ATOM 0 H ASP A 25 5.727 14.491 -19.121 1.00 0.00 H new ATOM 0 HA ASP A 25 7.013 12.260 -20.349 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.020 13.707 -17.898 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.943 13.005 -19.212 1.00 0.00 H new ATOM 336 N ARG A 26 5.472 11.806 -17.611 1.00 0.00 N ATOM 337 CA ARG A 26 5.126 10.876 -16.550 1.00 0.00 C ATOM 338 C ARG A 26 3.770 10.228 -16.833 1.00 0.00 C ATOM 339 O ARG A 26 2.890 10.853 -17.422 1.00 0.00 O ATOM 340 CB ARG A 26 5.073 11.582 -15.194 1.00 0.00 C ATOM 341 CG ARG A 26 6.416 11.478 -14.468 1.00 0.00 C ATOM 342 CD ARG A 26 6.428 10.288 -13.506 1.00 0.00 C ATOM 343 NE ARG A 26 7.822 9.877 -13.228 1.00 0.00 N ATOM 344 CZ ARG A 26 8.189 9.122 -12.183 1.00 0.00 C ATOM 345 NH1 ARG A 26 7.266 8.690 -11.313 1.00 0.00 N ATOM 346 NH2 ARG A 26 9.477 8.798 -12.010 1.00 0.00 N ATOM 0 H ARG A 26 4.788 12.546 -17.770 1.00 0.00 H new ATOM 0 HA ARG A 26 5.899 10.109 -16.517 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.813 12.631 -15.336 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.289 11.139 -14.580 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.220 11.370 -15.196 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.608 12.398 -13.916 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.927 10.556 -12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.874 9.455 -13.938 1.00 0.00 H new ATOM 0 HE ARG A 26 8.549 10.188 -13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.285 8.936 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.544 8.115 -10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.179 9.126 -12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.756 8.223 -11.215 1.00 0.00 H new ATOM 360 N LEU A 27 3.643 8.981 -16.401 1.00 0.00 N ATOM 361 CA LEU A 27 2.409 8.242 -16.601 1.00 0.00 C ATOM 362 C LEU A 27 1.751 7.980 -15.244 1.00 0.00 C ATOM 363 O LEU A 27 2.424 7.603 -14.287 1.00 0.00 O ATOM 364 CB LEU A 27 2.671 6.972 -17.413 1.00 0.00 C ATOM 365 CG LEU A 27 1.913 6.854 -18.737 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.490 7.400 -18.605 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.684 7.532 -19.871 1.00 0.00 C ATOM 0 H LEU A 27 4.375 8.465 -15.913 1.00 0.00 H new ATOM 0 HA LEU A 27 1.704 8.829 -17.190 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.739 6.912 -17.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.419 6.111 -16.795 1.00 0.00 H new ATOM 0 HG LEU A 27 1.830 5.797 -18.990 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.027 7.304 -19.560 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.047 6.835 -17.843 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.529 8.451 -18.317 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.124 7.434 -20.801 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.819 8.588 -19.638 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.659 7.057 -19.983 1.00 0.00 H new ATOM 379 N ILE A 28 0.443 8.190 -15.206 1.00 0.00 N ATOM 380 CA ILE A 28 -0.313 7.981 -13.983 1.00 0.00 C ATOM 381 C ILE A 28 -1.261 6.795 -14.171 1.00 0.00 C ATOM 382 O ILE A 28 -2.320 6.933 -14.781 1.00 0.00 O ATOM 383 CB ILE A 28 -1.019 9.272 -13.563 1.00 0.00 C ATOM 384 CG1 ILE A 28 -0.062 10.465 -13.624 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.660 9.121 -12.182 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.044 10.335 -12.575 1.00 0.00 C ATOM 0 H ILE A 28 -0.112 8.503 -16.003 1.00 0.00 H new ATOM 0 HA ILE A 28 0.355 7.728 -13.160 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.823 9.468 -14.272 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.381 10.530 -14.618 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.616 11.389 -13.461 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.155 10.052 -11.907 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.393 8.314 -12.207 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.890 8.889 -11.447 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.710 11.195 -12.640 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.599 10.294 -11.581 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.612 9.422 -12.756 1.00 0.00 H new ATOM 398 N GLY A 29 -0.846 5.656 -13.636 1.00 0.00 N ATOM 399 CA GLY A 29 -1.645 4.447 -13.737 1.00 0.00 C ATOM 400 C GLY A 29 -2.540 4.277 -12.508 1.00 0.00 C ATOM 401 O GLY A 29 -2.059 4.301 -11.376 1.00 0.00 O ATOM 0 H GLY A 29 0.033 5.545 -13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.260 4.487 -14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.990 3.581 -13.837 1.00 0.00 H new ATOM 405 N ARG A 30 -3.828 4.109 -12.772 1.00 0.00 N ATOM 406 CA ARG A 30 -4.795 3.935 -11.701 1.00 0.00 C ATOM 407 C ARG A 30 -5.466 2.564 -11.810 1.00 0.00 C ATOM 408 O ARG A 30 -6.146 2.278 -12.794 1.00 0.00 O ATOM 409 CB ARG A 30 -5.867 5.025 -11.745 1.00 0.00 C ATOM 410 CG ARG A 30 -5.886 5.828 -10.444 1.00 0.00 C ATOM 411 CD ARG A 30 -7.014 6.863 -10.454 1.00 0.00 C ATOM 412 NE ARG A 30 -6.813 7.841 -9.362 1.00 0.00 N ATOM 413 CZ ARG A 30 -7.366 9.061 -9.335 1.00 0.00 C ATOM 414 NH1 ARG A 30 -8.157 9.460 -10.340 1.00 0.00 N ATOM 415 NH2 ARG A 30 -7.128 9.883 -8.304 1.00 0.00 N ATOM 0 H ARG A 30 -4.224 4.090 -13.712 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.259 4.007 -10.755 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.678 5.692 -12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.844 4.572 -11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.015 5.153 -9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.928 6.330 -10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.038 7.378 -11.415 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.976 6.365 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.216 7.569 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.338 8.835 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.578 10.389 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.525 9.580 -7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.549 10.812 -8.284 1.00 0.00 H new ATOM 429 N ILE A 31 -5.251 1.753 -10.784 1.00 0.00 N ATOM 430 CA ILE A 31 -5.827 0.419 -10.752 1.00 0.00 C ATOM 431 C ILE A 31 -6.922 0.367 -9.684 1.00 0.00 C ATOM 432 O ILE A 31 -6.880 1.116 -8.710 1.00 0.00 O ATOM 433 CB ILE A 31 -4.732 -0.633 -10.563 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.820 -0.702 -11.790 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.335 -1.996 -10.219 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.635 0.254 -11.646 1.00 0.00 C ATOM 0 H ILE A 31 -4.686 1.994 -9.969 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.300 0.185 -11.706 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.112 -0.333 -9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.456 -1.721 -11.920 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.389 -0.450 -12.685 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.535 -2.725 -10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.908 -1.918 -9.295 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.992 -2.317 -11.027 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.003 0.185 -12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.002 1.275 -11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.055 -0.016 -10.764 1.00 0.00 H new ATOM 448 N LEU A 32 -7.876 -0.526 -9.904 1.00 0.00 N ATOM 449 CA LEU A 32 -8.979 -0.687 -8.973 1.00 0.00 C ATOM 450 C LEU A 32 -9.306 -2.174 -8.827 1.00 0.00 C ATOM 451 O LEU A 32 -9.240 -2.926 -9.798 1.00 0.00 O ATOM 452 CB LEU A 32 -10.174 0.166 -9.406 1.00 0.00 C ATOM 453 CG LEU A 32 -11.414 0.084 -8.514 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.140 -1.249 -8.705 1.00 0.00 C ATOM 455 CD2 LEU A 32 -11.054 0.336 -7.049 1.00 0.00 C ATOM 0 H LEU A 32 -7.907 -1.145 -10.714 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.699 -0.324 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.854 1.207 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.458 -0.128 -10.417 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.104 0.872 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.018 -1.281 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.451 -1.348 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.470 -2.069 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.954 0.272 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.335 -0.413 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.616 1.329 -6.948 1.00 0.00 H new ATOM 467 N LEU A 33 -9.650 -2.554 -7.605 1.00 0.00 N ATOM 468 CA LEU A 33 -9.987 -3.939 -7.319 1.00 0.00 C ATOM 469 C LEU A 33 -11.222 -3.983 -6.417 1.00 0.00 C ATOM 470 O LEU A 33 -11.401 -3.119 -5.560 1.00 0.00 O ATOM 471 CB LEU A 33 -8.777 -4.676 -6.742 1.00 0.00 C ATOM 472 CG LEU A 33 -7.459 -4.498 -7.499 1.00 0.00 C ATOM 473 CD1 LEU A 33 -6.263 -4.640 -6.556 1.00 0.00 C ATOM 474 CD2 LEU A 33 -7.373 -5.462 -8.684 1.00 0.00 C ATOM 0 H LEU A 33 -9.703 -1.927 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.244 -4.466 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.630 -4.344 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.010 -5.740 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.431 -3.487 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.339 -4.509 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.323 -3.882 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.274 -5.630 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.427 -5.315 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.433 -6.489 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.198 -5.270 -9.370 1.00 0.00 H new ATOM 486 N ASN A 34 -12.043 -4.999 -6.641 1.00 0.00 N ATOM 487 CA ASN A 34 -13.256 -5.167 -5.859 1.00 0.00 C ATOM 488 C ASN A 34 -13.466 -6.653 -5.565 1.00 0.00 C ATOM 489 O ASN A 34 -13.207 -7.501 -6.418 1.00 0.00 O ATOM 490 CB ASN A 34 -14.479 -4.658 -6.624 1.00 0.00 C ATOM 491 CG ASN A 34 -15.678 -4.484 -5.689 1.00 0.00 C ATOM 492 OD1 ASN A 34 -15.564 -4.541 -4.475 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.829 -4.270 -6.319 1.00 0.00 N ATOM 0 H ASN A 34 -11.892 -5.714 -7.353 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.145 -4.597 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.244 -3.706 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.732 -5.359 -7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.687 -4.142 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.854 -4.234 -7.338 1.00 0.00 H new ATOM 500 N LYS A 35 -13.934 -6.925 -4.356 1.00 0.00 N ATOM 501 CA LYS A 35 -14.182 -8.294 -3.939 1.00 0.00 C ATOM 502 C LYS A 35 -15.690 -8.515 -3.799 1.00 0.00 C ATOM 503 O LYS A 35 -16.164 -9.648 -3.868 1.00 0.00 O ATOM 504 CB LYS A 35 -13.393 -8.619 -2.669 1.00 0.00 C ATOM 505 CG LYS A 35 -11.991 -8.008 -2.724 1.00 0.00 C ATOM 506 CD LYS A 35 -11.815 -6.943 -1.638 1.00 0.00 C ATOM 507 CE LYS A 35 -10.489 -7.129 -0.899 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.428 -6.309 -1.524 1.00 0.00 N ATOM 0 H LYS A 35 -14.148 -6.219 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.825 -8.993 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.926 -8.238 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.318 -9.700 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.244 -8.791 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.822 -7.564 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.849 -5.951 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.642 -7.000 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.606 -6.847 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.201 -8.180 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.515 -6.800 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.651 -6.161 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.371 -5.389 -1.043 1.00 0.00 H new ATOM 522 N ARG A 36 -16.401 -7.414 -3.604 1.00 0.00 N ATOM 523 CA ARG A 36 -17.845 -7.473 -3.453 1.00 0.00 C ATOM 524 C ARG A 36 -18.435 -8.519 -4.401 1.00 0.00 C ATOM 525 O ARG A 36 -18.540 -8.283 -5.604 1.00 0.00 O ATOM 526 CB ARG A 36 -18.485 -6.114 -3.742 1.00 0.00 C ATOM 527 CG ARG A 36 -18.460 -5.221 -2.500 1.00 0.00 C ATOM 528 CD ARG A 36 -18.903 -3.796 -2.840 1.00 0.00 C ATOM 529 NE ARG A 36 -17.920 -3.164 -3.749 1.00 0.00 N ATOM 530 CZ ARG A 36 -18.122 -1.999 -4.379 1.00 0.00 C ATOM 531 NH1 ARG A 36 -19.270 -1.332 -4.203 1.00 0.00 N ATOM 532 NH2 ARG A 36 -17.174 -1.501 -5.185 1.00 0.00 N ATOM 0 H ARG A 36 -16.004 -6.476 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 36 -18.060 -7.751 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.953 -5.624 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.514 -6.255 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.116 -5.637 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.454 -5.203 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.886 -3.814 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.997 -3.208 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.034 -3.645 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.991 -1.711 -3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.423 -0.445 -4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.300 -2.009 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.327 -0.614 -5.665 1.00 0.00 H new ATOM 546 N LEU A 37 -18.806 -9.653 -3.824 1.00 0.00 N ATOM 547 CA LEU A 37 -19.383 -10.735 -4.603 1.00 0.00 C ATOM 548 C LEU A 37 -20.633 -10.228 -5.325 1.00 0.00 C ATOM 549 O LEU A 37 -20.886 -9.025 -5.365 1.00 0.00 O ATOM 550 CB LEU A 37 -19.638 -11.956 -3.716 1.00 0.00 C ATOM 551 CG LEU A 37 -18.421 -12.511 -2.973 1.00 0.00 C ATOM 552 CD1 LEU A 37 -18.833 -13.137 -1.639 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.643 -13.492 -3.851 1.00 0.00 C ATOM 0 H LEU A 37 -18.718 -9.846 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.684 -11.067 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.399 -11.694 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.054 -12.750 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.751 -11.682 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.950 -13.524 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.310 -12.381 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.534 -13.952 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.783 -13.871 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.291 -14.323 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.300 -12.982 -4.751 1.00 0.00 H new ATOM 565 N LYS A 38 -21.381 -11.171 -5.879 1.00 0.00 N ATOM 566 CA LYS A 38 -22.598 -10.835 -6.598 1.00 0.00 C ATOM 567 C LYS A 38 -23.578 -10.154 -5.642 1.00 0.00 C ATOM 568 O LYS A 38 -24.296 -9.235 -6.034 1.00 0.00 O ATOM 569 CB LYS A 38 -23.172 -12.074 -7.288 1.00 0.00 C ATOM 570 CG LYS A 38 -23.428 -11.805 -8.773 1.00 0.00 C ATOM 571 CD LYS A 38 -22.373 -12.491 -9.644 1.00 0.00 C ATOM 572 CE LYS A 38 -21.540 -11.460 -10.409 1.00 0.00 C ATOM 573 NZ LYS A 38 -20.353 -11.064 -9.619 1.00 0.00 N ATOM 0 H LYS A 38 -21.168 -12.168 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.385 -10.124 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.479 -12.909 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.103 -12.367 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -24.420 -12.165 -9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.416 -10.731 -8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.720 -13.100 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.860 -13.165 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.225 -11.876 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.148 -10.582 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.799 -10.364 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.660 -10.648 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.765 -11.901 -9.432 1.00 0.00 H new ATOM 587 N ASP A 39 -23.577 -10.630 -4.406 1.00 0.00 N ATOM 588 CA ASP A 39 -24.458 -10.079 -3.390 1.00 0.00 C ATOM 589 C ASP A 39 -23.983 -8.673 -3.018 1.00 0.00 C ATOM 590 O ASP A 39 -24.796 -7.770 -2.825 1.00 0.00 O ATOM 591 CB ASP A 39 -24.441 -10.935 -2.122 1.00 0.00 C ATOM 592 CG ASP A 39 -25.782 -11.040 -1.394 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.706 -11.635 -1.990 1.00 0.00 O ATOM 594 OD2 ASP A 39 -25.854 -10.522 -0.259 1.00 0.00 O ATOM 0 H ASP A 39 -22.980 -11.392 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.469 -10.058 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.108 -11.939 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -23.703 -10.523 -1.434 1.00 0.00 H new ATOM 599 N GLY A 40 -22.669 -8.531 -2.929 1.00 0.00 N ATOM 600 CA GLY A 40 -22.076 -7.250 -2.584 1.00 0.00 C ATOM 601 C GLY A 40 -21.871 -7.131 -1.072 1.00 0.00 C ATOM 602 O GLY A 40 -22.272 -6.139 -0.465 1.00 0.00 O ATOM 0 H GLY A 40 -21.998 -9.282 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.119 -7.139 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.719 -6.442 -2.932 1.00 0.00 H new ATOM 606 N SER A 41 -21.247 -8.155 -0.509 1.00 0.00 N ATOM 607 CA SER A 41 -20.985 -8.177 0.920 1.00 0.00 C ATOM 608 C SER A 41 -19.537 -8.599 1.180 1.00 0.00 C ATOM 609 O SER A 41 -19.153 -8.841 2.323 1.00 0.00 O ATOM 610 CB SER A 41 -21.950 -9.118 1.643 1.00 0.00 C ATOM 611 OG SER A 41 -23.214 -8.506 1.882 1.00 0.00 O ATOM 0 H SER A 41 -20.915 -8.975 -1.016 1.00 0.00 H new ATOM 0 HA SER A 41 -21.140 -7.172 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.091 -10.020 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.512 -9.427 2.592 1.00 0.00 H new ATOM 0 HG SER A 41 -23.802 -9.140 2.344 1.00 0.00 H new ATOM 617 N VAL A 42 -18.774 -8.675 0.099 1.00 0.00 N ATOM 618 CA VAL A 42 -17.377 -9.064 0.196 1.00 0.00 C ATOM 619 C VAL A 42 -17.285 -10.480 0.768 1.00 0.00 C ATOM 620 O VAL A 42 -17.964 -10.806 1.740 1.00 0.00 O ATOM 621 CB VAL A 42 -16.603 -8.034 1.021 1.00 0.00 C ATOM 622 CG1 VAL A 42 -15.333 -8.649 1.613 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.275 -6.796 0.185 1.00 0.00 C ATOM 0 H VAL A 42 -19.096 -8.474 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.916 -9.082 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.240 -7.720 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.801 -7.896 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.601 -9.485 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.691 -9.005 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.725 -6.080 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.666 -7.086 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.200 -6.338 -0.166 1.00 0.00 H new ATOM 633 N PRO A 43 -16.417 -11.305 0.124 1.00 0.00 N ATOM 634 CA PRO A 43 -16.227 -12.679 0.559 1.00 0.00 C ATOM 635 C PRO A 43 -15.389 -12.738 1.837 1.00 0.00 C ATOM 636 O PRO A 43 -15.013 -11.704 2.387 1.00 0.00 O ATOM 637 CB PRO A 43 -15.565 -13.376 -0.619 1.00 0.00 C ATOM 638 CG PRO A 43 -14.987 -12.270 -1.487 1.00 0.00 C ATOM 639 CD PRO A 43 -15.595 -10.954 -1.031 1.00 0.00 C ATOM 0 HA PRO A 43 -17.164 -13.171 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.783 -14.056 -0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.287 -13.972 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.901 -12.241 -1.395 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.214 -12.451 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.823 -10.233 -0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.194 -10.500 -1.820 1.00 0.00 H new ATOM 647 N ARG A 44 -15.120 -13.960 2.274 1.00 0.00 N ATOM 648 CA ARG A 44 -14.334 -14.168 3.478 1.00 0.00 C ATOM 649 C ARG A 44 -13.214 -13.129 3.567 1.00 0.00 C ATOM 650 O ARG A 44 -13.002 -12.528 4.619 1.00 0.00 O ATOM 651 CB ARG A 44 -13.722 -15.570 3.501 1.00 0.00 C ATOM 652 CG ARG A 44 -14.252 -16.380 4.686 1.00 0.00 C ATOM 653 CD ARG A 44 -13.216 -16.449 5.810 1.00 0.00 C ATOM 654 NE ARG A 44 -12.731 -17.838 5.966 1.00 0.00 N ATOM 655 CZ ARG A 44 -11.777 -18.208 6.832 1.00 0.00 C ATOM 656 NH1 ARG A 44 -11.200 -17.294 7.624 1.00 0.00 N ATOM 657 NH2 ARG A 44 -11.399 -19.492 6.905 1.00 0.00 N ATOM 0 H ARG A 44 -15.433 -14.816 1.816 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.002 -14.061 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.953 -16.087 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.636 -15.496 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.170 -15.926 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.506 -17.388 4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.380 -15.786 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.657 -16.102 6.744 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.149 -18.559 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.487 -16.317 7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.474 -17.576 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.837 -20.188 6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.673 -19.773 7.564 1.00 0.00 H new ATOM 671 N ASP A 45 -12.527 -12.950 2.448 1.00 0.00 N ATOM 672 CA ASP A 45 -11.434 -11.994 2.386 1.00 0.00 C ATOM 673 C ASP A 45 -11.035 -11.777 0.925 1.00 0.00 C ATOM 674 O ASP A 45 -10.952 -10.640 0.464 1.00 0.00 O ATOM 675 CB ASP A 45 -10.207 -12.511 3.140 1.00 0.00 C ATOM 676 CG ASP A 45 -10.516 -13.404 4.343 1.00 0.00 C ATOM 677 OD1 ASP A 45 -10.690 -14.621 4.117 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.570 -12.850 5.462 1.00 0.00 O ATOM 0 H ASP A 45 -12.706 -13.451 1.577 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.772 -11.064 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.580 -13.069 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.622 -11.657 3.481 1.00 0.00 H new ATOM 683 N SER A 46 -10.798 -12.885 0.239 1.00 0.00 N ATOM 684 CA SER A 46 -10.409 -12.829 -1.160 1.00 0.00 C ATOM 685 C SER A 46 -9.040 -12.161 -1.297 1.00 0.00 C ATOM 686 O SER A 46 -8.946 -11.008 -1.716 1.00 0.00 O ATOM 687 CB SER A 46 -11.451 -12.078 -1.992 1.00 0.00 C ATOM 688 OG SER A 46 -10.871 -11.444 -3.128 1.00 0.00 O ATOM 0 H SER A 46 -10.868 -13.826 0.625 1.00 0.00 H new ATOM 0 HA SER A 46 -10.348 -13.849 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.223 -12.774 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.941 -11.329 -1.370 1.00 0.00 H new ATOM 0 HG SER A 46 -10.187 -10.807 -2.833 1.00 0.00 H new ATOM 694 N GLY A 47 -8.011 -12.914 -0.936 1.00 0.00 N ATOM 695 CA GLY A 47 -6.651 -12.409 -1.013 1.00 0.00 C ATOM 696 C GLY A 47 -6.551 -11.006 -0.411 1.00 0.00 C ATOM 697 O GLY A 47 -6.820 -10.015 -1.089 1.00 0.00 O ATOM 0 H GLY A 47 -8.092 -13.870 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.978 -13.084 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.326 -12.386 -2.053 1.00 0.00 H new ATOM 701 N ALA A 48 -6.165 -10.967 0.856 1.00 0.00 N ATOM 702 CA ALA A 48 -6.027 -9.701 1.557 1.00 0.00 C ATOM 703 C ALA A 48 -5.057 -8.801 0.789 1.00 0.00 C ATOM 704 O ALA A 48 -5.265 -7.592 0.701 1.00 0.00 O ATOM 705 CB ALA A 48 -5.569 -9.961 2.993 1.00 0.00 C ATOM 0 H ALA A 48 -5.944 -11.791 1.415 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.985 -9.184 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.465 -9.012 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.306 -10.580 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.608 -10.476 2.981 1.00 0.00 H new ATOM 711 N MET A 49 -4.018 -9.425 0.254 1.00 0.00 N ATOM 712 CA MET A 49 -3.015 -8.695 -0.503 1.00 0.00 C ATOM 713 C MET A 49 -3.424 -8.567 -1.972 1.00 0.00 C ATOM 714 O MET A 49 -2.593 -8.262 -2.827 1.00 0.00 O ATOM 715 CB MET A 49 -1.673 -9.423 -0.408 1.00 0.00 C ATOM 716 CG MET A 49 -0.857 -8.915 0.782 1.00 0.00 C ATOM 717 SD MET A 49 0.778 -8.443 0.243 1.00 0.00 S ATOM 718 CE MET A 49 0.501 -6.716 -0.115 1.00 0.00 C ATOM 0 H MET A 49 -3.849 -10.428 0.330 1.00 0.00 H new ATOM 0 HA MET A 49 -2.925 -7.694 -0.081 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.843 -10.495 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.109 -9.276 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.358 -8.062 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.788 -9.691 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.949 -6.468 -1.077 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.570 -6.519 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.956 -6.105 0.665 1.00 0.00 H new ATOM 728 N LEU A 50 -4.703 -8.805 -2.221 1.00 0.00 N ATOM 729 CA LEU A 50 -5.231 -8.720 -3.572 1.00 0.00 C ATOM 730 C LEU A 50 -4.671 -9.873 -4.407 1.00 0.00 C ATOM 731 O LEU A 50 -5.426 -10.700 -4.915 1.00 0.00 O ATOM 732 CB LEU A 50 -4.958 -7.338 -4.168 1.00 0.00 C ATOM 733 CG LEU A 50 -5.666 -6.163 -3.490 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.136 -6.094 -3.908 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.504 -6.229 -1.970 1.00 0.00 C ATOM 0 H LEU A 50 -5.390 -9.057 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.316 -8.829 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.884 -7.156 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.248 -7.354 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.193 -5.240 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.616 -5.250 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.201 -5.965 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.639 -7.017 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.016 -5.383 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.935 -7.158 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.445 -6.193 -1.715 1.00 0.00 H new ATOM 747 N GLY A 51 -3.351 -9.889 -4.525 1.00 0.00 N ATOM 748 CA GLY A 51 -2.681 -10.926 -5.290 1.00 0.00 C ATOM 749 C GLY A 51 -1.202 -10.590 -5.491 1.00 0.00 C ATOM 750 O GLY A 51 -0.365 -11.487 -5.588 1.00 0.00 O ATOM 0 H GLY A 51 -2.728 -9.200 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.774 -11.881 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.167 -11.039 -6.259 1.00 0.00 H new ATOM 754 N LEU A 52 -0.925 -9.296 -5.549 1.00 0.00 N ATOM 755 CA LEU A 52 0.439 -8.830 -5.737 1.00 0.00 C ATOM 756 C LEU A 52 1.048 -8.486 -4.376 1.00 0.00 C ATOM 757 O LEU A 52 0.327 -8.322 -3.393 1.00 0.00 O ATOM 758 CB LEU A 52 0.477 -7.673 -6.737 1.00 0.00 C ATOM 759 CG LEU A 52 0.526 -6.267 -6.136 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.942 -5.917 -5.676 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.031 -5.232 -7.115 1.00 0.00 C ATOM 0 H LEU A 52 -1.622 -8.555 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 52 1.054 -9.618 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.348 -7.803 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.403 -7.743 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.113 -6.251 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.949 -4.913 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.266 -6.632 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.621 -5.957 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.016 -4.241 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.561 -5.241 -8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.067 -5.475 -7.351 1.00 0.00 H new ATOM 773 N LYS A 53 2.369 -8.387 -4.362 1.00 0.00 N ATOM 774 CA LYS A 53 3.083 -8.066 -3.138 1.00 0.00 C ATOM 775 C LYS A 53 3.717 -6.680 -3.272 1.00 0.00 C ATOM 776 O LYS A 53 4.371 -6.386 -4.271 1.00 0.00 O ATOM 777 CB LYS A 53 4.085 -9.170 -2.797 1.00 0.00 C ATOM 778 CG LYS A 53 4.157 -9.398 -1.285 1.00 0.00 C ATOM 779 CD LYS A 53 5.362 -8.676 -0.679 1.00 0.00 C ATOM 780 CE LYS A 53 6.467 -9.668 -0.311 1.00 0.00 C ATOM 781 NZ LYS A 53 5.939 -10.724 0.583 1.00 0.00 N ATOM 0 H LYS A 53 2.964 -8.524 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 53 2.394 -8.022 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.795 -10.095 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.071 -8.900 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.240 -9.041 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.226 -10.466 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.747 -7.944 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.052 -8.126 0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.875 -10.119 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.286 -9.143 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.662 -10.976 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.089 -10.374 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.695 -11.564 0.021 1.00 0.00 H new ATOM 795 N VAL A 54 3.501 -5.865 -2.250 1.00 0.00 N ATOM 796 CA VAL A 54 4.043 -4.516 -2.241 1.00 0.00 C ATOM 797 C VAL A 54 5.062 -4.389 -1.107 1.00 0.00 C ATOM 798 O VAL A 54 4.904 -5.004 -0.054 1.00 0.00 O ATOM 799 CB VAL A 54 2.907 -3.496 -2.141 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.451 -2.067 -2.153 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.884 -3.703 -3.259 1.00 0.00 C ATOM 0 H VAL A 54 2.958 -6.112 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 54 4.567 -4.308 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 54 2.399 -3.653 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.623 -1.362 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.122 -1.926 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.996 -1.893 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.087 -2.965 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.373 -3.587 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.461 -4.705 -3.184 1.00 0.00 H new ATOM 811 N VAL A 55 6.086 -3.587 -1.362 1.00 0.00 N ATOM 812 CA VAL A 55 7.131 -3.372 -0.376 1.00 0.00 C ATOM 813 C VAL A 55 7.364 -1.869 -0.206 1.00 0.00 C ATOM 814 O VAL A 55 7.838 -1.203 -1.125 1.00 0.00 O ATOM 815 CB VAL A 55 8.396 -4.131 -0.780 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.642 -3.481 -0.174 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.300 -5.606 -0.386 1.00 0.00 C ATOM 0 H VAL A 55 6.214 -3.079 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 55 6.828 -3.766 0.594 1.00 0.00 H new ATOM 0 HB VAL A 55 8.485 -4.080 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.528 -4.040 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.724 -2.453 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.563 -3.487 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.212 -6.122 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.174 -5.687 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.445 -6.061 -0.886 1.00 0.00 H new ATOM 827 N GLY A 56 7.018 -1.379 0.976 1.00 0.00 N ATOM 828 CA GLY A 56 7.183 0.033 1.278 1.00 0.00 C ATOM 829 C GLY A 56 8.427 0.268 2.137 1.00 0.00 C ATOM 830 O GLY A 56 9.157 -0.672 2.449 1.00 0.00 O ATOM 0 H GLY A 56 6.624 -1.935 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.265 0.600 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.301 0.402 1.801 1.00 0.00 H new ATOM 834 N GLY A 57 8.630 1.527 2.497 1.00 0.00 N ATOM 835 CA GLY A 57 9.772 1.897 3.314 1.00 0.00 C ATOM 836 C GLY A 57 11.078 1.751 2.530 1.00 0.00 C ATOM 837 O GLY A 57 12.163 1.829 3.104 1.00 0.00 O ATOM 0 H GLY A 57 8.022 2.304 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.661 2.926 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.806 1.269 4.204 1.00 0.00 H new ATOM 841 N LYS A 58 10.930 1.542 1.230 1.00 0.00 N ATOM 842 CA LYS A 58 12.084 1.385 0.361 1.00 0.00 C ATOM 843 C LYS A 58 12.810 2.726 0.237 1.00 0.00 C ATOM 844 O LYS A 58 12.236 3.705 -0.239 1.00 0.00 O ATOM 845 CB LYS A 58 11.665 0.785 -0.982 1.00 0.00 C ATOM 846 CG LYS A 58 12.865 0.658 -1.924 1.00 0.00 C ATOM 847 CD LYS A 58 12.980 -0.765 -2.475 1.00 0.00 C ATOM 848 CE LYS A 58 12.249 -0.896 -3.812 1.00 0.00 C ATOM 849 NZ LYS A 58 13.108 -1.574 -4.808 1.00 0.00 N ATOM 0 H LYS A 58 10.028 1.478 0.757 1.00 0.00 H new ATOM 0 HA LYS A 58 12.793 0.678 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.218 -0.196 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.901 1.412 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.761 1.364 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.779 0.921 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.031 -1.025 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.563 -1.471 -1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.326 -1.460 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.968 0.092 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.597 -1.655 -5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.977 -1.021 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.355 -2.524 -4.464 1.00 0.00 H new ATOM 863 N MET A 59 14.061 2.728 0.673 1.00 0.00 N ATOM 864 CA MET A 59 14.871 3.933 0.617 1.00 0.00 C ATOM 865 C MET A 59 15.464 4.130 -0.780 1.00 0.00 C ATOM 866 O MET A 59 16.338 3.373 -1.199 1.00 0.00 O ATOM 867 CB MET A 59 16.002 3.837 1.643 1.00 0.00 C ATOM 868 CG MET A 59 16.344 5.215 2.213 1.00 0.00 C ATOM 869 SD MET A 59 15.391 5.518 3.691 1.00 0.00 S ATOM 870 CE MET A 59 14.801 7.167 3.348 1.00 0.00 C ATOM 0 H MET A 59 14.534 1.914 1.067 1.00 0.00 H new ATOM 0 HA MET A 59 14.234 4.787 0.845 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.708 3.168 2.452 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.886 3.403 1.176 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.409 5.270 2.439 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.136 5.986 1.472 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.320 7.574 4.238 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.641 7.803 3.067 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.081 7.133 2.530 1.00 0.00 H new ATOM 880 N THR A 60 14.965 5.151 -1.461 1.00 0.00 N ATOM 881 CA THR A 60 15.435 5.457 -2.802 1.00 0.00 C ATOM 882 C THR A 60 16.790 6.165 -2.744 1.00 0.00 C ATOM 883 O THR A 60 17.388 6.281 -1.675 1.00 0.00 O ATOM 884 CB THR A 60 14.351 6.275 -3.507 1.00 0.00 C ATOM 885 OG1 THR A 60 14.232 7.452 -2.712 1.00 0.00 O ATOM 886 CG2 THR A 60 12.971 5.622 -3.415 1.00 0.00 C ATOM 0 H THR A 60 14.240 5.777 -1.110 1.00 0.00 H new ATOM 0 HA THR A 60 15.604 4.548 -3.379 1.00 0.00 H new ATOM 0 HB THR A 60 14.620 6.407 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.280 8.243 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.239 6.243 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.003 4.637 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.686 5.520 -2.368 1.00 0.00 H new ATOM 894 N GLU A 61 17.234 6.621 -3.906 1.00 0.00 N ATOM 895 CA GLU A 61 18.507 7.314 -4.001 1.00 0.00 C ATOM 896 C GLU A 61 18.373 8.744 -3.472 1.00 0.00 C ATOM 897 O GLU A 61 19.369 9.375 -3.120 1.00 0.00 O ATOM 898 CB GLU A 61 19.029 7.308 -5.439 1.00 0.00 C ATOM 899 CG GLU A 61 18.185 8.220 -6.332 1.00 0.00 C ATOM 900 CD GLU A 61 18.437 7.923 -7.812 1.00 0.00 C ATOM 901 OE1 GLU A 61 18.129 6.784 -8.223 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.933 8.843 -8.498 1.00 0.00 O ATOM 0 H GLU A 61 16.734 6.524 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 61 19.233 6.785 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.068 7.638 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.012 6.291 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.128 8.081 -6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.422 9.263 -6.121 1.00 0.00 H new ATOM 909 N SER A 62 17.135 9.213 -3.433 1.00 0.00 N ATOM 910 CA SER A 62 16.858 10.556 -2.953 1.00 0.00 C ATOM 911 C SER A 62 16.456 10.512 -1.477 1.00 0.00 C ATOM 912 O SER A 62 15.959 11.498 -0.936 1.00 0.00 O ATOM 913 CB SER A 62 15.758 11.222 -3.782 1.00 0.00 C ATOM 914 OG SER A 62 16.293 12.049 -4.812 1.00 0.00 O ATOM 0 H SER A 62 16.312 8.687 -3.726 1.00 0.00 H new ATOM 0 HA SER A 62 17.766 11.150 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.124 10.455 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.124 11.821 -3.129 1.00 0.00 H new ATOM 0 HG SER A 62 15.560 12.455 -5.320 1.00 0.00 H new ATOM 920 N GLY A 63 16.687 9.358 -0.868 1.00 0.00 N ATOM 921 CA GLY A 63 16.356 9.173 0.535 1.00 0.00 C ATOM 922 C GLY A 63 14.842 9.212 0.750 1.00 0.00 C ATOM 923 O GLY A 63 14.375 9.471 1.858 1.00 0.00 O ATOM 0 H GLY A 63 17.099 8.542 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.752 8.219 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.832 9.952 1.131 1.00 0.00 H new ATOM 927 N ARG A 64 14.116 8.951 -0.327 1.00 0.00 N ATOM 928 CA ARG A 64 12.664 8.954 -0.270 1.00 0.00 C ATOM 929 C ARG A 64 12.138 7.529 -0.084 1.00 0.00 C ATOM 930 O ARG A 64 12.812 6.563 -0.438 1.00 0.00 O ATOM 931 CB ARG A 64 12.064 9.550 -1.545 1.00 0.00 C ATOM 932 CG ARG A 64 11.472 10.935 -1.277 1.00 0.00 C ATOM 933 CD ARG A 64 10.047 10.827 -0.731 1.00 0.00 C ATOM 934 NE ARG A 64 9.110 11.555 -1.615 1.00 0.00 N ATOM 935 CZ ARG A 64 9.037 12.891 -1.696 1.00 0.00 C ATOM 936 NH1 ARG A 64 9.845 13.652 -0.946 1.00 0.00 N ATOM 937 NH2 ARG A 64 8.156 13.465 -2.527 1.00 0.00 N ATOM 0 H ARG A 64 14.506 8.736 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 64 12.366 9.569 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.833 9.622 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.289 8.888 -1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.099 11.470 -0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.469 11.517 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.754 9.779 -0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.003 11.239 0.277 1.00 0.00 H new ATOM 0 HE ARG A 64 8.480 11.006 -2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.515 13.215 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.790 14.669 -1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.541 12.885 -3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.101 14.482 -2.589 1.00 0.00 H new ATOM 951 N LEU A 65 10.937 7.443 0.470 1.00 0.00 N ATOM 952 CA LEU A 65 10.313 6.153 0.707 1.00 0.00 C ATOM 953 C LEU A 65 9.067 6.025 -0.172 1.00 0.00 C ATOM 954 O LEU A 65 8.278 6.963 -0.277 1.00 0.00 O ATOM 955 CB LEU A 65 10.036 5.958 2.199 1.00 0.00 C ATOM 956 CG LEU A 65 11.241 6.103 3.130 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.796 6.219 4.589 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.234 4.958 2.923 1.00 0.00 C ATOM 0 H LEU A 65 10.380 8.246 0.761 1.00 0.00 H new ATOM 0 HA LEU A 65 10.988 5.345 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.277 6.679 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.609 4.965 2.342 1.00 0.00 H new ATOM 0 HG LEU A 65 11.759 7.028 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.672 6.321 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.157 7.094 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.241 5.324 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.081 5.085 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.743 4.008 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.587 4.964 1.892 1.00 0.00 H new ATOM 970 N CYS A 66 8.929 4.856 -0.781 1.00 0.00 N ATOM 971 CA CYS A 66 7.793 4.594 -1.647 1.00 0.00 C ATOM 972 C CYS A 66 7.633 3.078 -1.784 1.00 0.00 C ATOM 973 O CYS A 66 8.605 2.335 -1.663 1.00 0.00 O ATOM 974 CB CYS A 66 7.949 5.276 -3.008 1.00 0.00 C ATOM 975 SG CYS A 66 6.314 5.818 -3.627 1.00 0.00 S ATOM 0 H CYS A 66 9.585 4.080 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 66 6.891 5.016 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.616 6.133 -2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.406 4.588 -3.719 1.00 0.00 H new ATOM 0 HG CYS A 66 6.476 6.612 -4.643 1.00 0.00 H new ATOM 981 N ALA A 67 6.399 2.665 -2.035 1.00 0.00 N ATOM 982 CA ALA A 67 6.100 1.252 -2.190 1.00 0.00 C ATOM 983 C ALA A 67 6.210 0.871 -3.668 1.00 0.00 C ATOM 984 O ALA A 67 5.665 1.556 -4.531 1.00 0.00 O ATOM 985 CB ALA A 67 4.714 0.958 -1.613 1.00 0.00 C ATOM 0 H ALA A 67 5.595 3.285 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 67 6.818 0.644 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.489 -0.102 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.698 1.219 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.966 1.548 -2.144 1.00 0.00 H new ATOM 991 N PHE A 68 6.918 -0.222 -3.913 1.00 0.00 N ATOM 992 CA PHE A 68 7.106 -0.703 -5.271 1.00 0.00 C ATOM 993 C PHE A 68 6.689 -2.169 -5.396 1.00 0.00 C ATOM 994 O PHE A 68 6.982 -2.979 -4.518 1.00 0.00 O ATOM 995 CB PHE A 68 8.598 -0.580 -5.586 1.00 0.00 C ATOM 996 CG PHE A 68 9.169 0.820 -5.357 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.000 1.787 -6.298 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.847 1.098 -4.210 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.531 3.087 -6.085 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.377 2.398 -3.997 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.208 3.365 -4.939 1.00 0.00 C ATOM 0 H PHE A 68 7.368 -0.788 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 68 6.495 -0.120 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.149 -1.291 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.764 -0.863 -6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.462 1.566 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.982 0.330 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.397 3.854 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.915 2.619 -3.087 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.612 4.353 -4.777 1.00 0.00 H new ATOM 1011 N ILE A 69 6.011 -2.467 -6.495 1.00 0.00 N ATOM 1012 CA ILE A 69 5.551 -3.822 -6.747 1.00 0.00 C ATOM 1013 C ILE A 69 6.760 -4.752 -6.872 1.00 0.00 C ATOM 1014 O ILE A 69 7.700 -4.457 -7.608 1.00 0.00 O ATOM 1015 CB ILE A 69 4.621 -3.855 -7.961 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.434 -2.910 -7.768 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.171 -5.285 -8.268 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.567 -2.854 -9.028 1.00 0.00 C ATOM 0 H ILE A 69 5.769 -1.793 -7.221 1.00 0.00 H new ATOM 0 HA ILE A 69 4.956 -4.184 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 69 5.178 -3.499 -8.828 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.832 -3.244 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.796 -1.911 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.511 -5.280 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.043 -5.904 -8.479 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.638 -5.691 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.730 -2.175 -8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.165 -2.496 -9.866 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.187 -3.851 -9.253 1.00 0.00 H new ATOM 1030 N THR A 70 6.696 -5.856 -6.143 1.00 0.00 N ATOM 1031 CA THR A 70 7.773 -6.830 -6.164 1.00 0.00 C ATOM 1032 C THR A 70 7.372 -8.052 -6.993 1.00 0.00 C ATOM 1033 O THR A 70 8.180 -8.584 -7.752 1.00 0.00 O ATOM 1034 CB THR A 70 8.131 -7.170 -4.715 1.00 0.00 C ATOM 1035 OG1 THR A 70 7.042 -7.972 -4.267 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.094 -5.945 -3.800 1.00 0.00 C ATOM 0 H THR A 70 5.914 -6.098 -5.534 1.00 0.00 H new ATOM 0 HA THR A 70 8.662 -6.426 -6.648 1.00 0.00 H new ATOM 0 HB THR A 70 9.125 -7.617 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.250 -7.408 -4.142 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.356 -6.242 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.808 -5.203 -4.157 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.092 -5.516 -3.806 1.00 0.00 H new ATOM 1044 N LYS A 71 6.123 -8.460 -6.820 1.00 0.00 N ATOM 1045 CA LYS A 71 5.605 -9.609 -7.542 1.00 0.00 C ATOM 1046 C LYS A 71 4.098 -9.439 -7.748 1.00 0.00 C ATOM 1047 O LYS A 71 3.458 -8.653 -7.052 1.00 0.00 O ATOM 1048 CB LYS A 71 5.986 -10.908 -6.829 1.00 0.00 C ATOM 1049 CG LYS A 71 6.881 -11.777 -7.714 1.00 0.00 C ATOM 1050 CD LYS A 71 6.987 -13.199 -7.158 1.00 0.00 C ATOM 1051 CE LYS A 71 6.512 -14.227 -8.187 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.035 -15.571 -7.855 1.00 0.00 N ATOM 0 H LYS A 71 5.455 -8.015 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 71 6.058 -9.672 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.503 -10.678 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.084 -11.460 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.478 -11.808 -8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.874 -11.333 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.020 -13.408 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.389 -13.284 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.423 -14.250 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.847 -13.936 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.704 -16.257 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.075 -15.549 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.695 -15.853 -6.914 1.00 0.00 H new ATOM 1066 N VAL A 72 3.576 -10.190 -8.706 1.00 0.00 N ATOM 1067 CA VAL A 72 2.156 -10.133 -9.012 1.00 0.00 C ATOM 1068 C VAL A 72 1.650 -11.541 -9.331 1.00 0.00 C ATOM 1069 O VAL A 72 2.040 -12.132 -10.337 1.00 0.00 O ATOM 1070 CB VAL A 72 1.905 -9.136 -10.145 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.409 -8.860 -10.311 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.681 -7.838 -9.915 1.00 0.00 C ATOM 0 H VAL A 72 4.110 -10.841 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 72 1.594 -9.774 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 72 2.267 -9.582 -11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.258 -8.148 -11.123 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.109 -9.790 -10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.011 -8.444 -9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.485 -7.147 -10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.364 -7.386 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.748 -8.055 -9.871 1.00 0.00 H new ATOM 1082 N LYS A 73 0.790 -12.039 -8.455 1.00 0.00 N ATOM 1083 CA LYS A 73 0.226 -13.367 -8.631 1.00 0.00 C ATOM 1084 C LYS A 73 -0.466 -13.446 -9.993 1.00 0.00 C ATOM 1085 O LYS A 73 -1.476 -12.781 -10.220 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.686 -13.722 -7.456 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.111 -15.190 -7.515 1.00 0.00 C ATOM 1088 CD LYS A 73 0.067 -16.115 -7.201 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.360 -17.583 -7.249 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.642 -18.437 -6.573 1.00 0.00 N ATOM 0 H LYS A 73 0.470 -11.547 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 73 1.015 -14.119 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.168 -13.527 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.569 -13.083 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.917 -15.368 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.504 -15.419 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.870 -15.943 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.465 -15.880 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.331 -17.701 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.477 -17.900 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.336 -19.430 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.561 -18.337 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.734 -18.145 -5.579 1.00 0.00 H new ATOM 1104 N LYS A 74 0.104 -14.265 -10.865 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.446 -14.439 -12.198 1.00 0.00 C ATOM 1106 C LYS A 74 -1.784 -15.176 -12.101 1.00 0.00 C ATOM 1107 O LYS A 74 -1.814 -16.391 -11.910 1.00 0.00 O ATOM 1108 CB LYS A 74 0.570 -15.128 -13.111 1.00 0.00 C ATOM 1109 CG LYS A 74 0.143 -15.032 -14.578 1.00 0.00 C ATOM 1110 CD LYS A 74 -0.001 -16.423 -15.198 1.00 0.00 C ATOM 1111 CE LYS A 74 0.482 -16.428 -16.650 1.00 0.00 C ATOM 1112 NZ LYS A 74 -0.004 -17.636 -17.354 1.00 0.00 N ATOM 0 H LYS A 74 0.941 -14.815 -10.674 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.647 -13.471 -12.656 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.550 -14.668 -12.983 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.670 -16.175 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.804 -14.497 -14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.879 -14.455 -15.138 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.573 -17.145 -14.617 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.044 -16.737 -15.157 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.125 -15.534 -17.161 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.571 -16.398 -16.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.333 -17.623 -18.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.357 -18.486 -16.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.044 -17.649 -17.344 1.00 0.00 H new ATOM 1126 N GLY A 75 -2.856 -14.411 -12.237 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.193 -14.976 -12.167 1.00 0.00 C ATOM 1128 C GLY A 75 -4.894 -14.567 -10.870 1.00 0.00 C ATOM 1129 O GLY A 75 -5.547 -15.388 -10.228 1.00 0.00 O ATOM 0 H GLY A 75 -2.827 -13.404 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.779 -14.640 -13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.136 -16.063 -12.227 1.00 0.00 H new ATOM 1133 N SER A 76 -4.734 -13.298 -10.523 1.00 0.00 N ATOM 1134 CA SER A 76 -5.343 -12.770 -9.314 1.00 0.00 C ATOM 1135 C SER A 76 -5.881 -11.361 -9.571 1.00 0.00 C ATOM 1136 O SER A 76 -5.628 -10.779 -10.625 1.00 0.00 O ATOM 1137 CB SER A 76 -4.344 -12.754 -8.156 1.00 0.00 C ATOM 1138 OG SER A 76 -4.569 -13.823 -7.241 1.00 0.00 O ATOM 0 H SER A 76 -4.191 -12.620 -11.058 1.00 0.00 H new ATOM 0 HA SER A 76 -6.171 -13.422 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.330 -12.822 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.417 -11.803 -7.628 1.00 0.00 H new ATOM 0 HG SER A 76 -3.910 -13.779 -6.517 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.613 -10.854 -8.590 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.188 -9.524 -8.698 1.00 0.00 C ATOM 1146 C LEU A 77 -6.168 -8.581 -9.339 1.00 0.00 C ATOM 1147 O LEU A 77 -6.346 -8.150 -10.477 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.693 -9.047 -7.334 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.127 -9.441 -6.974 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.289 -9.599 -5.462 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -10.132 -8.444 -7.557 1.00 0.00 C ATOM 0 H LEU A 77 -6.821 -11.340 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.062 -9.539 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.026 -9.437 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.617 -7.960 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.338 -10.411 -7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.317 -9.879 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.613 -10.375 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.052 -8.656 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.144 -8.747 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.932 -7.450 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.037 -8.424 -8.643 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.121 -8.290 -8.582 1.00 0.00 N ATOM 1164 CA ALA A 78 -4.072 -7.406 -9.063 1.00 0.00 C ATOM 1165 C ALA A 78 -3.244 -8.135 -10.123 1.00 0.00 C ATOM 1166 O ALA A 78 -2.084 -8.468 -9.889 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.221 -6.934 -7.882 1.00 0.00 C ATOM 0 H ALA A 78 -4.976 -8.650 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.501 -6.520 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.434 -6.271 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.850 -6.398 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.772 -7.796 -7.390 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.874 -8.361 -11.267 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.210 -9.043 -12.364 1.00 0.00 C ATOM 1175 C ASP A 79 -4.204 -9.245 -13.510 1.00 0.00 C ATOM 1176 O ASP A 79 -3.923 -8.881 -14.651 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.703 -10.420 -11.930 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.468 -10.921 -12.682 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -1.547 -10.982 -13.928 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -0.472 -11.232 -11.993 1.00 0.00 O ATOM 0 H ASP A 79 -4.837 -8.084 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.366 -8.431 -12.680 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.473 -10.387 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.507 -11.144 -12.060 1.00 0.00 H new ATOM 1185 N THR A 80 -5.344 -9.825 -13.166 1.00 0.00 N ATOM 1186 CA THR A 80 -6.381 -10.079 -14.151 1.00 0.00 C ATOM 1187 C THR A 80 -7.227 -8.824 -14.372 1.00 0.00 C ATOM 1188 O THR A 80 -7.607 -8.517 -15.501 1.00 0.00 O ATOM 1189 CB THR A 80 -7.196 -11.286 -13.680 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.863 -10.819 -12.510 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.312 -12.427 -13.174 1.00 0.00 C ATOM 0 H THR A 80 -5.572 -10.126 -12.219 1.00 0.00 H new ATOM 0 HA THR A 80 -5.951 -10.318 -15.124 1.00 0.00 H new ATOM 0 HB THR A 80 -7.819 -11.645 -14.499 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.261 -10.890 -11.740 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.939 -13.258 -12.852 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.653 -12.759 -13.976 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.713 -12.078 -12.333 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.497 -8.131 -13.275 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.291 -6.915 -13.334 1.00 0.00 C ATOM 1201 C VAL A 81 -7.367 -5.702 -13.214 1.00 0.00 C ATOM 1202 O VAL A 81 -7.584 -4.685 -13.872 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.378 -6.948 -12.258 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.454 -7.982 -12.597 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.776 -7.215 -10.878 1.00 0.00 C ATOM 0 H VAL A 81 -7.180 -8.388 -12.340 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.804 -6.839 -14.293 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.853 -5.967 -12.232 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.214 -7.985 -11.816 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.915 -7.728 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.000 -8.971 -12.665 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.570 -7.233 -10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.262 -8.176 -10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.065 -6.426 -10.632 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.356 -5.848 -12.371 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.399 -4.777 -12.156 1.00 0.00 C ATOM 1217 C GLY A 82 -4.385 -4.710 -13.300 1.00 0.00 C ATOM 1218 O GLY A 82 -4.070 -3.629 -13.794 1.00 0.00 O ATOM 0 H GLY A 82 -6.179 -6.693 -11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.925 -3.826 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.878 -4.934 -11.212 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.902 -5.881 -13.689 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.930 -5.970 -14.765 1.00 0.00 C ATOM 1224 C HIS A 83 -1.601 -5.364 -14.309 1.00 0.00 C ATOM 1225 O HIS A 83 -0.751 -5.031 -15.132 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.471 -5.320 -16.040 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.810 -5.859 -16.484 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -6.057 -5.313 -16.415 1.00 0.00 N flip ATOM 1229 CD2 HIS A 83 -4.959 -7.101 -17.076 1.00 0.00 C flip ATOM 1230 CE1 HIS A 83 -6.922 -6.174 -16.938 1.00 0.00 C flip ATOM 1231 NE2 HIS A 83 -6.243 -7.283 -17.348 1.00 0.00 N flip ATOM 0 H HIS A 83 -4.166 -6.776 -13.278 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.747 -7.017 -15.009 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.559 -4.246 -15.879 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.749 -5.464 -16.843 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.164 -7.803 -17.281 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.988 -6.021 -17.024 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -6.652 -8.108 -17.787 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.464 -5.240 -12.997 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.254 -4.680 -12.420 1.00 0.00 C ATOM 1241 C LEU A 84 0.936 -5.575 -12.774 1.00 0.00 C ATOM 1242 O LEU A 84 0.757 -6.666 -13.314 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.429 -4.457 -10.917 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.564 -3.517 -10.506 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.214 -3.978 -9.200 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -1.075 -2.070 -10.423 1.00 0.00 C ATOM 0 H LEU A 84 -2.172 -5.518 -12.317 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.051 -3.696 -12.843 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.596 -5.424 -10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.505 -4.063 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.333 -3.554 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.017 -3.292 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.621 -4.981 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.467 -3.990 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.901 -1.423 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.277 -1.997 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.698 -1.757 -11.397 1.00 0.00 H new ATOM 1258 N ARG A 85 2.123 -5.080 -12.457 1.00 0.00 N ATOM 1259 CA ARG A 85 3.341 -5.821 -12.734 1.00 0.00 C ATOM 1260 C ARG A 85 4.436 -5.437 -11.736 1.00 0.00 C ATOM 1261 O ARG A 85 4.424 -4.335 -11.190 1.00 0.00 O ATOM 1262 CB ARG A 85 3.839 -5.550 -14.155 1.00 0.00 C ATOM 1263 CG ARG A 85 3.223 -6.536 -15.150 1.00 0.00 C ATOM 1264 CD ARG A 85 2.651 -5.804 -16.365 1.00 0.00 C ATOM 1265 NE ARG A 85 2.932 -6.572 -17.598 1.00 0.00 N ATOM 1266 CZ ARG A 85 2.229 -6.455 -18.733 1.00 0.00 C ATOM 1267 NH1 ARG A 85 1.199 -5.600 -18.798 1.00 0.00 N ATOM 1268 NH2 ARG A 85 2.556 -7.193 -19.803 1.00 0.00 N ATOM 0 H ARG A 85 2.267 -4.174 -12.011 1.00 0.00 H new ATOM 0 HA ARG A 85 3.112 -6.882 -12.637 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.586 -4.530 -14.444 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.926 -5.629 -14.185 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.979 -7.251 -15.475 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.434 -7.107 -14.660 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.576 -5.671 -16.247 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.089 -4.809 -16.439 1.00 0.00 H new ATOM 0 HE ARG A 85 3.710 -7.232 -17.583 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.950 -5.038 -17.984 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.664 -5.511 -19.662 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.340 -7.844 -19.753 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.021 -7.104 -20.667 1.00 0.00 H new ATOM 1282 N PRO A 86 5.379 -6.393 -11.522 1.00 0.00 N ATOM 1283 CA PRO A 86 6.478 -6.166 -10.599 1.00 0.00 C ATOM 1284 C PRO A 86 7.520 -5.224 -11.208 1.00 0.00 C ATOM 1285 O PRO A 86 8.193 -5.579 -12.174 1.00 0.00 O ATOM 1286 CB PRO A 86 7.032 -7.549 -10.299 1.00 0.00 C ATOM 1287 CG PRO A 86 6.529 -8.451 -11.415 1.00 0.00 C ATOM 1288 CD PRO A 86 5.425 -7.710 -12.151 1.00 0.00 C ATOM 0 HA PRO A 86 6.161 -5.671 -9.681 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.122 -7.535 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.691 -7.904 -9.326 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.341 -8.703 -12.098 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.153 -9.389 -11.007 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.642 -7.633 -13.216 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.470 -8.227 -12.057 1.00 0.00 H new ATOM 1296 N GLY A 87 7.620 -4.043 -10.616 1.00 0.00 N ATOM 1297 CA GLY A 87 8.568 -3.048 -11.088 1.00 0.00 C ATOM 1298 C GLY A 87 7.944 -1.651 -11.081 1.00 0.00 C ATOM 1299 O GLY A 87 8.644 -0.654 -11.256 1.00 0.00 O ATOM 0 H GLY A 87 7.060 -3.753 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.456 -3.057 -10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.893 -3.300 -12.097 1.00 0.00 H new ATOM 1303 N ASP A 88 6.636 -1.622 -10.878 1.00 0.00 N ATOM 1304 CA ASP A 88 5.910 -0.364 -10.847 1.00 0.00 C ATOM 1305 C ASP A 88 6.008 0.241 -9.445 1.00 0.00 C ATOM 1306 O ASP A 88 6.576 -0.368 -8.540 1.00 0.00 O ATOM 1307 CB ASP A 88 4.429 -0.573 -11.169 1.00 0.00 C ATOM 1308 CG ASP A 88 3.976 -0.015 -12.520 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.523 1.039 -12.911 1.00 0.00 O ATOM 1310 OD2 ASP A 88 3.094 -0.656 -13.131 1.00 0.00 O ATOM 0 H ASP A 88 6.059 -2.451 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 88 6.351 0.298 -11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.214 -1.641 -11.144 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.833 -0.109 -10.383 1.00 0.00 H new ATOM 1315 N GLU A 89 5.445 1.433 -9.309 1.00 0.00 N ATOM 1316 CA GLU A 89 5.462 2.127 -8.033 1.00 0.00 C ATOM 1317 C GLU A 89 4.048 2.573 -7.653 1.00 0.00 C ATOM 1318 O GLU A 89 3.461 3.424 -8.319 1.00 0.00 O ATOM 1319 CB GLU A 89 6.421 3.319 -8.069 1.00 0.00 C ATOM 1320 CG GLU A 89 6.442 4.047 -6.723 1.00 0.00 C ATOM 1321 CD GLU A 89 7.361 5.269 -6.776 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.276 5.999 -7.787 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.127 5.446 -5.804 1.00 0.00 O ATOM 0 H GLU A 89 4.974 1.935 -10.062 1.00 0.00 H new ATOM 0 HA GLU A 89 5.822 1.436 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.425 2.975 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.118 4.010 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.432 4.358 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.781 3.366 -5.942 1.00 0.00 H new ATOM 1330 N VAL A 90 3.542 1.978 -6.582 1.00 0.00 N ATOM 1331 CA VAL A 90 2.209 2.303 -6.105 1.00 0.00 C ATOM 1332 C VAL A 90 2.268 3.587 -5.275 1.00 0.00 C ATOM 1333 O VAL A 90 2.623 3.553 -4.098 1.00 0.00 O ATOM 1334 CB VAL A 90 1.626 1.118 -5.333 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.620 0.599 -4.292 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.293 1.490 -4.681 1.00 0.00 C ATOM 0 H VAL A 90 4.032 1.273 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 90 1.538 2.489 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 90 1.437 0.315 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.181 -0.243 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.534 0.275 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.855 1.395 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.099 0.630 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.445 2.317 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.418 1.788 -5.451 1.00 0.00 H new ATOM 1346 N LEU A 91 1.914 4.688 -5.921 1.00 0.00 N ATOM 1347 CA LEU A 91 1.922 5.980 -5.257 1.00 0.00 C ATOM 1348 C LEU A 91 0.939 5.953 -4.085 1.00 0.00 C ATOM 1349 O LEU A 91 1.332 6.143 -2.935 1.00 0.00 O ATOM 1350 CB LEU A 91 1.649 7.101 -6.262 1.00 0.00 C ATOM 1351 CG LEU A 91 2.822 7.494 -7.163 1.00 0.00 C ATOM 1352 CD1 LEU A 91 3.653 8.609 -6.526 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.674 6.273 -7.517 1.00 0.00 C ATOM 0 H LEU A 91 1.620 4.712 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 91 2.908 6.188 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.815 6.799 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.327 7.985 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 91 2.420 7.887 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.480 8.869 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.025 9.486 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.047 8.268 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.501 6.580 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.069 5.828 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.060 5.541 -8.042 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.322 5.714 -4.417 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.364 5.659 -3.406 1.00 0.00 C ATOM 1367 C GLU A 92 -1.962 4.252 -3.336 1.00 0.00 C ATOM 1368 O GLU A 92 -1.657 3.403 -4.171 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.449 6.703 -3.681 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.945 8.113 -3.371 1.00 0.00 C ATOM 1371 CD GLU A 92 -0.647 8.409 -4.125 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -0.741 8.627 -5.353 1.00 0.00 O ATOM 1373 OE2 GLU A 92 0.410 8.412 -3.458 1.00 0.00 O ATOM 0 H GLU A 92 -0.645 5.556 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.918 5.891 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.758 6.645 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.329 6.486 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.705 8.844 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.779 8.216 -2.299 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.801 4.050 -2.331 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.443 2.761 -2.140 1.00 0.00 C ATOM 1382 C TRP A 93 -4.800 3.003 -1.475 1.00 0.00 C ATOM 1383 O TRP A 93 -4.892 3.071 -0.251 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.546 1.814 -1.341 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.202 0.475 -1.000 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.176 0.235 -0.111 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.890 -0.809 -1.582 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.514 -1.102 -0.078 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.707 -1.757 -1.001 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.949 -1.156 -2.567 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.665 -3.115 -1.339 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.920 -2.517 -2.894 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.735 -3.485 -2.318 1.00 0.00 C ATOM 0 H TRP A 93 -3.051 4.758 -1.640 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.607 2.266 -3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.635 1.626 -1.910 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.248 2.307 -0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.638 0.994 0.503 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.225 -1.531 0.514 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.300 -0.430 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.315 -3.838 -0.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.215 -2.838 -3.647 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.651 -4.517 -2.624 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.820 3.125 -2.312 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.167 3.357 -1.821 1.00 0.00 C ATOM 1406 C ASN A 94 -7.286 4.803 -1.335 1.00 0.00 C ATOM 1407 O ASN A 94 -8.201 5.136 -0.583 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.491 2.435 -0.644 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.752 1.615 -0.921 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -8.790 0.448 -0.283 1.00 0.00 O flip ATOM 1411 ND2 ASN A 94 -9.633 2.014 -1.665 1.00 0.00 N flip ATOM 0 H ASN A 94 -5.740 3.067 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.862 3.158 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.651 1.766 -0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.630 3.028 0.260 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.541 2.920 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.461 1.441 -1.828 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.348 5.624 -1.785 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.336 7.027 -1.405 1.00 0.00 C ATOM 1420 C GLY A 95 -5.226 7.311 -0.391 1.00 0.00 C ATOM 1421 O GLY A 95 -4.969 8.466 -0.054 1.00 0.00 O ATOM 0 H GLY A 95 -5.591 5.345 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.192 7.646 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.301 7.300 -0.979 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.598 6.238 0.066 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.521 6.357 1.035 1.00 0.00 C ATOM 1427 C ARG A 96 -2.182 6.549 0.320 1.00 0.00 C ATOM 1428 O ARG A 96 -1.773 5.705 -0.476 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.442 5.117 1.927 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.440 5.209 3.083 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.731 5.567 4.391 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.155 6.911 4.844 1.00 0.00 N ATOM 1433 CZ ARG A 96 -5.284 7.153 5.525 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -6.108 6.144 5.835 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.588 8.404 5.895 1.00 0.00 N ATOM 0 H ARG A 96 -4.814 5.282 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.732 7.226 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.647 4.225 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.431 5.012 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.196 5.961 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.961 4.258 3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.964 4.826 5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.651 5.547 4.246 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.550 7.702 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.877 5.191 5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.967 6.328 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.960 9.173 5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.447 8.588 6.413 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.537 7.664 0.628 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.253 7.977 0.025 1.00 0.00 C ATOM 1451 C LEU A 97 0.830 7.101 0.657 1.00 0.00 C ATOM 1452 O LEU A 97 0.977 7.074 1.878 1.00 0.00 O ATOM 1453 CB LEU A 97 0.034 9.477 0.124 1.00 0.00 C ATOM 1454 CG LEU A 97 1.251 9.980 -0.657 1.00 0.00 C ATOM 1455 CD1 LEU A 97 0.830 10.589 -1.995 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.075 10.956 0.184 1.00 0.00 C ATOM 0 H LEU A 97 -1.880 8.362 1.288 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.267 7.748 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.845 10.019 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.171 9.732 1.175 1.00 0.00 H new ATOM 0 HG LEU A 97 1.892 9.127 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.713 10.938 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.318 9.835 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.158 11.428 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.934 11.299 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.457 11.811 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.422 10.455 1.087 1.00 0.00 H new ATOM 1468 N LEU A 98 1.561 6.406 -0.202 1.00 0.00 N ATOM 1469 CA LEU A 98 2.626 5.530 0.257 1.00 0.00 C ATOM 1470 C LEU A 98 3.953 6.292 0.230 1.00 0.00 C ATOM 1471 O LEU A 98 4.923 5.877 0.861 1.00 0.00 O ATOM 1472 CB LEU A 98 2.643 4.235 -0.557 1.00 0.00 C ATOM 1473 CG LEU A 98 1.311 3.490 -0.660 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.486 2.151 -1.380 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.670 3.319 0.719 1.00 0.00 C ATOM 0 H LEU A 98 1.437 6.432 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 98 2.453 5.227 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.985 4.468 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.380 3.563 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 98 0.629 4.092 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.524 1.642 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.867 2.326 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.192 1.530 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.276 2.786 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.340 2.750 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.489 4.299 1.160 1.00 0.00 H new ATOM 1487 N GLN A 99 3.952 7.393 -0.507 1.00 0.00 N ATOM 1488 CA GLN A 99 5.143 8.216 -0.624 1.00 0.00 C ATOM 1489 C GLN A 99 5.562 8.743 0.750 1.00 0.00 C ATOM 1490 O GLN A 99 4.802 9.457 1.402 1.00 0.00 O ATOM 1491 CB GLN A 99 4.921 9.366 -1.608 1.00 0.00 C ATOM 1492 CG GLN A 99 5.237 8.931 -3.041 1.00 0.00 C ATOM 1493 CD GLN A 99 5.280 10.136 -3.983 1.00 0.00 C ATOM 1494 OE1 GLN A 99 4.726 11.188 -3.712 1.00 0.00 O ATOM 1495 NE2 GLN A 99 5.966 9.923 -5.102 1.00 0.00 N ATOM 0 H GLN A 99 3.145 7.734 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 99 5.951 7.597 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.887 9.707 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.552 10.211 -1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.195 8.412 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.483 8.223 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.406 9.017 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.053 10.665 -5.796 1.00 0.00 H new ATOM 1504 N GLY A 100 6.769 8.370 1.149 1.00 0.00 N ATOM 1505 CA GLY A 100 7.298 8.797 2.433 1.00 0.00 C ATOM 1506 C GLY A 100 6.949 7.790 3.531 1.00 0.00 C ATOM 1507 O GLY A 100 7.684 7.650 4.507 1.00 0.00 O ATOM 0 H GLY A 100 7.396 7.777 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.380 8.907 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.893 9.776 2.690 1.00 0.00 H new ATOM 1511 N ALA A 101 5.826 7.115 3.335 1.00 0.00 N ATOM 1512 CA ALA A 101 5.370 6.125 4.296 1.00 0.00 C ATOM 1513 C ALA A 101 6.443 5.046 4.459 1.00 0.00 C ATOM 1514 O ALA A 101 7.108 4.677 3.492 1.00 0.00 O ATOM 1515 CB ALA A 101 4.029 5.549 3.839 1.00 0.00 C ATOM 0 H ALA A 101 5.218 7.234 2.525 1.00 0.00 H new ATOM 0 HA ALA A 101 5.212 6.583 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.687 4.806 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.294 6.351 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.149 5.079 2.863 1.00 0.00 H new ATOM 1521 N THR A 102 6.578 4.572 5.689 1.00 0.00 N ATOM 1522 CA THR A 102 7.559 3.543 5.990 1.00 0.00 C ATOM 1523 C THR A 102 7.018 2.163 5.611 1.00 0.00 C ATOM 1524 O THR A 102 5.842 2.023 5.280 1.00 0.00 O ATOM 1525 CB THR A 102 7.932 3.665 7.469 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.882 2.983 8.149 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.836 5.103 7.981 1.00 0.00 C ATOM 0 H THR A 102 6.025 4.881 6.488 1.00 0.00 H new ATOM 0 HA THR A 102 8.465 3.675 5.399 1.00 0.00 H new ATOM 0 HB THR A 102 8.946 3.294 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.045 3.012 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.111 5.133 9.035 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.514 5.738 7.411 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.814 5.464 7.862 1.00 0.00 H new ATOM 1535 N PHE A 103 7.902 1.178 5.674 1.00 0.00 N ATOM 1536 CA PHE A 103 7.528 -0.186 5.341 1.00 0.00 C ATOM 1537 C PHE A 103 6.226 -0.582 6.039 1.00 0.00 C ATOM 1538 O PHE A 103 5.344 -1.179 5.423 1.00 0.00 O ATOM 1539 CB PHE A 103 8.656 -1.092 5.838 1.00 0.00 C ATOM 1540 CG PHE A 103 8.357 -2.587 5.706 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.610 -3.230 4.534 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.838 -3.273 6.760 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.332 -4.617 4.412 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.560 -4.660 6.637 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.813 -5.303 5.465 1.00 0.00 C ATOM 0 H PHE A 103 8.876 1.297 5.951 1.00 0.00 H new ATOM 0 HA PHE A 103 7.375 -0.279 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.564 -0.863 5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.858 -0.863 6.884 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.022 -2.686 3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.637 -2.763 7.690 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.533 -5.128 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.148 -5.204 7.474 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.602 -6.358 5.371 1.00 0.00 H new ATOM 1555 N GLU A 104 6.146 -0.235 7.315 1.00 0.00 N ATOM 1556 CA GLU A 104 4.966 -0.547 8.104 1.00 0.00 C ATOM 1557 C GLU A 104 3.764 0.256 7.602 1.00 0.00 C ATOM 1558 O GLU A 104 2.755 -0.317 7.196 1.00 0.00 O ATOM 1559 CB GLU A 104 5.216 -0.289 9.591 1.00 0.00 C ATOM 1560 CG GLU A 104 6.234 -1.282 10.156 1.00 0.00 C ATOM 1561 CD GLU A 104 7.196 -0.589 11.124 1.00 0.00 C ATOM 1562 OE1 GLU A 104 6.774 -0.366 12.279 1.00 0.00 O ATOM 1563 OE2 GLU A 104 8.330 -0.299 10.687 1.00 0.00 O ATOM 0 H GLU A 104 6.880 0.260 7.823 1.00 0.00 H new ATOM 0 HA GLU A 104 4.744 -1.608 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.579 0.729 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.278 -0.371 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.713 -2.089 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.797 -1.735 9.340 1.00 0.00 H new ATOM 1570 N GLU A 105 3.913 1.572 7.647 1.00 0.00 N ATOM 1571 CA GLU A 105 2.852 2.460 7.203 1.00 0.00 C ATOM 1572 C GLU A 105 2.186 1.903 5.944 1.00 0.00 C ATOM 1573 O GLU A 105 0.975 1.688 5.921 1.00 0.00 O ATOM 1574 CB GLU A 105 3.386 3.873 6.960 1.00 0.00 C ATOM 1575 CG GLU A 105 3.346 4.703 8.245 1.00 0.00 C ATOM 1576 CD GLU A 105 3.477 6.196 7.938 1.00 0.00 C ATOM 1577 OE1 GLU A 105 4.635 6.662 7.868 1.00 0.00 O ATOM 1578 OE2 GLU A 105 2.416 6.838 7.781 1.00 0.00 O ATOM 0 H GLU A 105 4.752 2.044 7.984 1.00 0.00 H new ATOM 0 HA GLU A 105 2.102 2.520 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.409 3.820 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.792 4.362 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.411 4.517 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.153 4.392 8.908 1.00 0.00 H new ATOM 1585 N VAL A 106 3.006 1.683 4.926 1.00 0.00 N ATOM 1586 CA VAL A 106 2.511 1.154 3.667 1.00 0.00 C ATOM 1587 C VAL A 106 1.707 -0.120 3.934 1.00 0.00 C ATOM 1588 O VAL A 106 0.581 -0.259 3.460 1.00 0.00 O ATOM 1589 CB VAL A 106 3.674 0.935 2.698 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.216 0.170 1.454 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.326 2.265 2.314 1.00 0.00 C ATOM 0 H VAL A 106 4.010 1.862 4.948 1.00 0.00 H new ATOM 0 HA VAL A 106 1.839 1.868 3.191 1.00 0.00 H new ATOM 0 HB VAL A 106 4.423 0.329 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.062 0.028 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.820 -0.802 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.439 0.738 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.150 2.081 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.588 2.907 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.706 2.756 3.210 1.00 0.00 H new ATOM 1601 N TYR A 107 2.318 -1.018 4.693 1.00 0.00 N ATOM 1602 CA TYR A 107 1.674 -2.277 5.029 1.00 0.00 C ATOM 1603 C TYR A 107 0.359 -2.038 5.774 1.00 0.00 C ATOM 1604 O TYR A 107 -0.689 -2.537 5.367 1.00 0.00 O ATOM 1605 CB TYR A 107 2.645 -3.013 5.955 1.00 0.00 C ATOM 1606 CG TYR A 107 2.348 -4.506 6.106 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.125 -4.921 6.592 1.00 0.00 C ATOM 1608 CD2 TYR A 107 3.304 -5.439 5.757 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.845 -6.326 6.734 1.00 0.00 C ATOM 1610 CE2 TYR A 107 3.025 -6.844 5.900 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.809 -7.219 6.381 1.00 0.00 C ATOM 1612 OH TYR A 107 1.546 -8.546 6.516 1.00 0.00 O ATOM 0 H TYR A 107 3.252 -0.899 5.085 1.00 0.00 H new ATOM 0 HA TYR A 107 1.445 -2.844 4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.659 -2.891 5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.617 -2.546 6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.377 -4.191 6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.261 -5.115 5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.109 -6.664 7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.765 -7.584 5.631 1.00 0.00 H new ATOM 0 HH TYR A 107 2.325 -9.065 6.225 1.00 0.00 H new ATOM 1622 N ASN A 108 0.458 -1.275 6.853 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.710 -0.964 7.658 1.00 0.00 C ATOM 1624 C ASN A 108 -1.897 -0.671 6.737 1.00 0.00 C ATOM 1625 O ASN A 108 -2.974 -1.239 6.907 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.468 0.274 8.525 1.00 0.00 C ATOM 1627 CG ASN A 108 0.160 -0.110 9.866 1.00 0.00 C ATOM 1628 OD1 ASN A 108 1.479 0.054 9.912 1.00 0.00 O flip ATOM 1629 ND2 ASN A 108 -0.509 -0.528 10.797 1.00 0.00 N flip ATOM 0 H ASN A 108 1.329 -0.863 7.188 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.914 -1.821 8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.186 0.969 7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.411 0.792 8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -1.519 -0.630 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -0.059 -0.776 11.678 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.658 0.215 5.782 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.694 0.590 4.834 1.00 0.00 C ATOM 1638 C ILE A 109 -3.358 -0.674 4.284 1.00 0.00 C ATOM 1639 O ILE A 109 -4.510 -0.962 4.602 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.121 1.505 3.749 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.570 2.797 4.357 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.160 1.781 2.660 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.320 3.265 3.608 1.00 0.00 C ATOM 0 H ILE A 109 -0.763 0.684 5.644 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.473 1.170 5.330 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.286 0.991 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.333 3.575 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.330 2.635 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.728 2.433 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.463 0.841 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -4.030 2.266 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.052 4.185 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.449 2.495 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.570 3.449 2.563 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.602 -1.394 3.468 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.103 -2.620 2.871 1.00 0.00 C ATOM 1657 C ILE A 110 -3.912 -3.396 3.913 1.00 0.00 C ATOM 1658 O ILE A 110 -4.865 -4.094 3.569 1.00 0.00 O ATOM 1659 CB ILE A 110 -1.955 -3.426 2.260 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.439 -2.762 0.982 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.371 -4.879 2.023 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.073 -2.537 1.053 1.00 0.00 C ATOM 0 H ILE A 110 -1.646 -1.152 3.206 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.778 -2.394 2.046 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.130 -3.439 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.677 -3.387 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.946 -1.808 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.537 -5.430 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.653 -5.336 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.220 -4.908 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.414 -2.064 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.305 -1.892 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.578 -3.495 1.177 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.503 -3.246 5.164 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.179 -3.924 6.258 1.00 0.00 C ATOM 1676 C LEU A 111 -5.556 -3.293 6.470 1.00 0.00 C ATOM 1677 O LEU A 111 -6.578 -3.958 6.316 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.302 -3.924 7.511 1.00 0.00 C ATOM 1679 CG LEU A 111 -2.915 -5.298 8.060 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -2.305 -5.179 9.458 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.109 -6.255 8.034 1.00 0.00 C ATOM 0 H LEU A 111 -2.713 -2.666 5.445 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.344 -4.973 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.388 -3.373 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.824 -3.375 8.295 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.149 -5.722 7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.039 -6.170 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.411 -4.557 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.030 -4.725 10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.807 -7.225 8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.914 -5.849 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.457 -6.374 7.008 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.538 -2.015 6.821 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.773 -1.286 7.057 1.00 0.00 C ATOM 1695 C GLU A 112 -7.732 -1.472 5.880 1.00 0.00 C ATOM 1696 O GLU A 112 -8.940 -1.295 6.025 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.494 0.197 7.308 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.602 0.387 8.537 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.085 1.563 9.388 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.267 1.523 9.793 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.261 2.475 9.616 1.00 0.00 O ATOM 0 H GLU A 112 -4.688 -1.466 6.948 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.245 -1.690 7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.012 0.633 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.435 0.729 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.602 -0.524 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.573 0.560 8.221 1.00 0.00 H new ATOM 1708 N SER A 113 -7.157 -1.827 4.740 1.00 0.00 N ATOM 1709 CA SER A 113 -7.945 -2.039 3.538 1.00 0.00 C ATOM 1710 C SER A 113 -8.309 -3.519 3.405 1.00 0.00 C ATOM 1711 O SER A 113 -8.563 -4.003 2.303 1.00 0.00 O ATOM 1712 CB SER A 113 -7.192 -1.564 2.294 1.00 0.00 C ATOM 1713 OG SER A 113 -6.253 -2.533 1.836 1.00 0.00 O ATOM 0 H SER A 113 -6.154 -1.973 4.624 1.00 0.00 H new ATOM 0 HA SER A 113 -8.860 -1.452 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.906 -1.347 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.672 -0.633 2.519 1.00 0.00 H new ATOM 0 HG SER A 113 -5.951 -3.079 2.592 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.324 -4.196 4.544 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.653 -5.612 4.569 1.00 0.00 C ATOM 1721 C LYS A 114 -10.159 -5.785 4.362 1.00 0.00 C ATOM 1722 O LYS A 114 -10.587 -6.575 3.523 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.129 -6.261 5.851 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.750 -6.884 5.627 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.858 -8.396 5.420 1.00 0.00 C ATOM 1726 CE LYS A 114 -7.271 -9.098 6.714 1.00 0.00 C ATOM 1727 NZ LYS A 114 -6.223 -10.053 7.143 1.00 0.00 N ATOM 0 H LYS A 114 -8.114 -3.791 5.456 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.157 -6.133 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.070 -5.514 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.828 -7.027 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.278 -6.427 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.109 -6.676 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.587 -8.608 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.901 -8.789 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.441 -8.359 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.213 -9.626 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.519 -10.521 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.080 -10.768 6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.333 -9.541 7.306 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.941 -5.012 5.163 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.390 -5.073 5.077 1.00 0.00 C ATOM 1743 C PRO A 115 -12.895 -4.349 3.827 1.00 0.00 C ATOM 1744 O PRO A 115 -13.910 -4.736 3.249 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.888 -4.445 6.369 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.721 -3.641 6.918 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.468 -4.065 6.169 1.00 0.00 C ATOM 0 HA PRO A 115 -12.763 -6.092 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.751 -3.805 6.185 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.204 -5.210 7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.899 -2.573 6.790 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.605 -3.818 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.974 -3.210 5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.743 -4.528 6.839 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.165 -3.311 3.448 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.526 -2.529 2.277 1.00 0.00 C ATOM 1757 C GLU A 116 -13.065 -3.443 1.175 1.00 0.00 C ATOM 1758 O GLU A 116 -12.504 -4.506 0.914 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.335 -1.710 1.776 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.235 -0.377 2.521 1.00 0.00 C ATOM 1761 CD GLU A 116 -10.752 0.737 1.589 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.400 0.916 0.535 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -9.746 1.384 1.952 1.00 0.00 O ATOM 0 H GLU A 116 -11.325 -2.993 3.931 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.313 -1.829 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.415 -2.278 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.439 -1.526 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.208 -0.114 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.548 -0.477 3.361 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.177 -2.983 0.540 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.798 -3.747 -0.528 1.00 0.00 C ATOM 1772 C PRO A 117 -13.981 -3.652 -1.818 1.00 0.00 C ATOM 1773 O PRO A 117 -13.934 -4.601 -2.599 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.196 -3.165 -0.667 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.147 -1.801 0.002 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.869 -1.729 0.822 1.00 0.00 C ATOM 0 HA PRO A 117 -14.844 -4.814 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.480 -3.076 -1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.936 -3.808 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.166 -1.008 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -17.019 -1.658 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.263 -0.869 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.086 -1.627 1.885 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.357 -2.497 -2.001 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.543 -2.266 -3.182 1.00 0.00 C ATOM 1786 C GLN A 118 -11.196 -1.656 -2.788 1.00 0.00 C ATOM 1787 O GLN A 118 -10.988 -1.299 -1.630 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.276 -1.374 -4.186 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.035 0.106 -3.884 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.180 0.969 -4.418 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.263 0.996 -5.745 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -14.938 1.570 -3.675 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.399 -1.712 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.357 -3.225 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.936 -1.602 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.345 -1.586 -4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.938 0.250 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.095 0.424 -4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.818 1.506 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.692 2.136 -4.065 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.318 -1.554 -3.775 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.997 -0.993 -3.545 1.00 0.00 C ATOM 1803 C VAL A 119 -8.540 -0.245 -4.800 1.00 0.00 C ATOM 1804 O VAL A 119 -8.309 -0.857 -5.842 1.00 0.00 O ATOM 1805 CB VAL A 119 -8.026 -2.096 -3.120 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.705 -1.504 -2.627 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.654 -2.998 -2.056 1.00 0.00 C ATOM 0 H VAL A 119 -10.495 -1.850 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.026 -0.272 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.811 -2.709 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.033 -2.310 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.245 -0.924 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.894 -0.856 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.943 -3.774 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.912 -2.403 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.555 -3.461 -2.458 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.424 1.067 -4.659 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.999 1.904 -5.768 1.00 0.00 C ATOM 1819 C GLU A 120 -6.513 2.243 -5.638 1.00 0.00 C ATOM 1820 O GLU A 120 -6.124 3.023 -4.770 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.846 3.175 -5.851 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.379 4.072 -6.999 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.611 5.548 -6.672 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -8.078 5.990 -5.632 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -9.317 6.202 -7.470 1.00 0.00 O ATOM 0 H GLU A 120 -8.617 1.571 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.145 1.348 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.893 2.909 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.782 3.721 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.320 3.901 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.915 3.810 -7.911 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.722 1.640 -6.514 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.288 1.869 -6.508 1.00 0.00 C ATOM 1834 C LEU A 121 -3.956 3.027 -7.450 1.00 0.00 C ATOM 1835 O LEU A 121 -4.767 3.394 -8.299 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.538 0.576 -6.835 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.757 -0.590 -5.868 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.574 -1.560 -5.902 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -4.042 -0.082 -4.453 1.00 0.00 C ATOM 0 H LEU A 121 -6.048 0.993 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.954 2.162 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.830 0.253 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.471 0.797 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.637 -1.144 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.755 -2.379 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.459 -1.959 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.664 -1.034 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.194 -0.930 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.197 0.509 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.939 0.537 -4.463 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.762 3.572 -7.269 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.313 4.681 -8.093 1.00 0.00 C ATOM 1853 C VAL A 122 -0.793 4.606 -8.258 1.00 0.00 C ATOM 1854 O VAL A 122 -0.050 4.819 -7.302 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.783 6.006 -7.489 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.473 7.176 -8.424 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.275 5.955 -7.150 1.00 0.00 C ATOM 0 H VAL A 122 -2.092 3.266 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.752 4.619 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.233 6.165 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.817 8.105 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.398 7.232 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.983 7.026 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.584 6.909 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.848 5.762 -8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.457 5.158 -6.429 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.377 4.303 -9.479 1.00 0.00 N ATOM 1868 CA VAL A 123 1.040 4.197 -9.782 1.00 0.00 C ATOM 1869 C VAL A 123 1.459 5.377 -10.661 1.00 0.00 C ATOM 1870 O VAL A 123 0.623 5.986 -11.328 1.00 0.00 O ATOM 1871 CB VAL A 123 1.338 2.839 -10.421 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.207 2.414 -11.359 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.680 2.862 -11.156 1.00 0.00 C ATOM 0 H VAL A 123 -0.997 4.128 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 123 1.631 4.247 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 123 1.406 2.101 -9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.444 1.446 -11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.723 2.338 -10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.093 3.155 -12.150 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.868 1.885 -11.601 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.652 3.619 -11.940 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.477 3.099 -10.451 1.00 0.00 H new ATOM 1883 N SER A 124 2.752 5.664 -10.635 1.00 0.00 N ATOM 1884 CA SER A 124 3.291 6.760 -11.421 1.00 0.00 C ATOM 1885 C SER A 124 4.642 6.359 -12.019 1.00 0.00 C ATOM 1886 O SER A 124 5.637 6.260 -11.303 1.00 0.00 O ATOM 1887 CB SER A 124 3.440 8.025 -10.574 1.00 0.00 C ATOM 1888 OG SER A 124 4.026 9.095 -11.310 1.00 0.00 O ATOM 0 H SER A 124 3.442 5.156 -10.082 1.00 0.00 H new ATOM 0 HA SER A 124 2.593 6.977 -12.229 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.461 8.332 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.055 7.806 -9.701 1.00 0.00 H new ATOM 0 HG SER A 124 4.102 9.885 -10.735 1.00 0.00 H new ATOM 1894 N ARG A 125 4.633 6.141 -13.326 1.00 0.00 N ATOM 1895 CA ARG A 125 5.844 5.754 -14.028 1.00 0.00 C ATOM 1896 C ARG A 125 6.312 6.887 -14.944 1.00 0.00 C ATOM 1897 O ARG A 125 5.528 7.765 -15.301 1.00 0.00 O ATOM 1898 CB ARG A 125 5.618 4.492 -14.864 1.00 0.00 C ATOM 1899 CG ARG A 125 4.706 4.782 -16.058 1.00 0.00 C ATOM 1900 CD ARG A 125 3.389 4.013 -15.941 1.00 0.00 C ATOM 1901 NE ARG A 125 3.652 2.619 -15.519 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.926 1.617 -16.365 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.973 1.848 -17.685 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.151 0.383 -15.893 1.00 0.00 N ATOM 0 H ARG A 125 3.806 6.225 -13.917 1.00 0.00 H new ATOM 0 HA ARG A 125 6.609 5.548 -13.279 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.575 4.109 -15.218 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.174 3.714 -14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.503 5.851 -16.114 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.212 4.505 -16.983 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.735 4.503 -15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 125 2.868 4.020 -16.899 1.00 0.00 H new ATOM 0 HE ARG A 125 3.623 2.408 -14.522 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.800 2.787 -18.045 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.182 1.085 -18.329 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.114 0.206 -14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.360 -0.379 -16.538 1.00 0.00 H new ATOM 1918 N SER A 126 7.587 6.830 -15.299 1.00 0.00 N ATOM 1919 CA SER A 126 8.168 7.840 -16.167 1.00 0.00 C ATOM 1920 C SER A 126 8.103 7.379 -17.624 1.00 0.00 C ATOM 1921 O SER A 126 8.379 6.218 -17.925 1.00 0.00 O ATOM 1922 CB SER A 126 9.615 8.141 -15.770 1.00 0.00 C ATOM 1923 OG SER A 126 10.104 9.325 -16.394 1.00 0.00 O ATOM 0 H SER A 126 8.234 6.100 -15.001 1.00 0.00 H new ATOM 0 HA SER A 126 7.591 8.758 -16.057 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.679 8.249 -14.687 1.00 0.00 H new ATOM 0 HB3 SER A 126 10.249 7.298 -16.044 1.00 0.00 H new ATOM 0 HG SER A 126 11.030 9.484 -16.114 1.00 0.00 H new ATOM 1929 N GLY A 127 7.737 8.311 -18.491 1.00 0.00 N ATOM 1930 CA GLY A 127 7.632 8.014 -19.910 1.00 0.00 C ATOM 1931 C GLY A 127 8.859 8.524 -20.668 1.00 0.00 C ATOM 1932 O GLY A 127 9.835 8.957 -20.058 1.00 0.00 O ATOM 0 H GLY A 127 7.509 9.273 -18.239 1.00 0.00 H new ATOM 0 HA2 GLY A 127 7.532 6.938 -20.054 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.732 8.475 -20.316 1.00 0.00 H new ATOM 1936 N PRO A 128 8.767 8.452 -22.024 1.00 0.00 N ATOM 1937 CA PRO A 128 9.858 8.901 -22.872 1.00 0.00 C ATOM 1938 C PRO A 128 9.921 10.429 -22.922 1.00 0.00 C ATOM 1939 O PRO A 128 8.901 11.090 -23.111 1.00 0.00 O ATOM 1940 CB PRO A 128 9.585 8.273 -24.229 1.00 0.00 C ATOM 1941 CG PRO A 128 8.117 7.880 -24.218 1.00 0.00 C ATOM 1942 CD PRO A 128 7.627 7.945 -22.781 1.00 0.00 C ATOM 0 HA PRO A 128 10.835 8.597 -22.496 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.795 8.977 -25.034 1.00 0.00 H new ATOM 0 HB3 PRO A 128 10.221 7.403 -24.392 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.537 8.553 -24.850 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.988 6.875 -24.620 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.764 8.604 -22.686 1.00 0.00 H new ATOM 0 HD3 PRO A 128 7.319 6.963 -22.423 1.00 0.00 H new ATOM 1950 N SER A 129 11.129 10.945 -22.750 1.00 0.00 N ATOM 1951 CA SER A 129 11.339 12.383 -22.773 1.00 0.00 C ATOM 1952 C SER A 129 12.830 12.692 -22.923 1.00 0.00 C ATOM 1953 O SER A 129 13.512 12.969 -21.938 1.00 0.00 O ATOM 1954 CB SER A 129 10.785 13.041 -21.507 1.00 0.00 C ATOM 1955 OG SER A 129 10.730 14.460 -21.624 1.00 0.00 O ATOM 0 H SER A 129 11.973 10.393 -22.594 1.00 0.00 H new ATOM 0 HA SER A 129 10.802 12.793 -23.628 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.786 12.655 -21.305 1.00 0.00 H new ATOM 0 HB3 SER A 129 11.409 12.771 -20.655 1.00 0.00 H new ATOM 0 HG SER A 129 9.814 14.767 -21.458 1.00 0.00 H new ATOM 1961 N SER A 130 13.291 12.635 -24.164 1.00 0.00 N ATOM 1962 CA SER A 130 14.688 12.905 -24.456 1.00 0.00 C ATOM 1963 C SER A 130 14.927 14.415 -24.519 1.00 0.00 C ATOM 1964 O SER A 130 15.767 14.945 -23.793 1.00 0.00 O ATOM 1965 CB SER A 130 15.115 12.245 -25.769 1.00 0.00 C ATOM 1966 OG SER A 130 15.343 10.847 -25.614 1.00 0.00 O ATOM 0 H SER A 130 12.721 12.406 -24.979 1.00 0.00 H new ATOM 0 HA SER A 130 15.293 12.481 -23.654 1.00 0.00 H new ATOM 0 HB2 SER A 130 14.344 12.405 -26.523 1.00 0.00 H new ATOM 0 HB3 SER A 130 16.024 12.722 -26.136 1.00 0.00 H new ATOM 0 HG SER A 130 15.612 10.462 -26.474 1.00 0.00 H new ATOM 1972 N GLY A 131 14.174 15.065 -25.394 1.00 0.00 N ATOM 1973 CA GLY A 131 14.293 16.503 -25.561 1.00 0.00 C ATOM 1974 C GLY A 131 14.570 16.864 -27.022 1.00 0.00 C ATOM 1975 O GLY A 131 14.353 18.002 -27.436 1.00 0.00 O ATOM 0 H GLY A 131 13.479 14.622 -25.995 1.00 0.00 H new ATOM 0 HA2 GLY A 131 13.375 16.988 -25.231 1.00 0.00 H new ATOM 0 HA3 GLY A 131 15.098 16.881 -24.930 1.00 0.00 H new TER 1979 GLY A 131