USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 6 SER OG : rot 150:sc= -1.05 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.116) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00375 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 9 MET CE :methyl 173:sc= 0 (180deg=-0.0121) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= -3.99! (180deg=-4.03!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.98 X(o=-2,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.696 USER MOD Single : A 38 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.02) USER MOD Single : A 41 MET CE :methyl -143:sc= -3.5! (180deg=-5.19!) USER MOD Single : A 44 GLN : amide:sc= -0.0728 K(o=-0.073,f=-0.71) USER MOD Single : A 45 GLN : amide:sc= -1.97 K(o=-2,f=-7.8!) USER MOD Single : A 49 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-1.7) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.64! C(o=-1.6!,f=-5.1!) USER MOD Single : A 60 GLN : amide:sc= -0.0304 K(o=-0.03,f=-1.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.66! C(o=-3.7!,f=-5.3!) USER MOD Single : A 75 ASN : amide:sc= -4.35! C(o=-4.4!,f=-6.5!) USER MOD Single : A 77 SER OG : rot -170:sc= -0.123 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.122 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.132 -13.878 -23.026 1.00 0.00 N ATOM 2 CA GLY A 1 4.619 -13.202 -21.838 1.00 0.00 C ATOM 3 C GLY A 1 3.780 -13.506 -20.613 1.00 0.00 C ATOM 4 O GLY A 1 3.816 -14.619 -20.088 1.00 0.00 O ATOM 0 H1 GLY A 1 4.739 -13.638 -23.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.151 -14.906 -22.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.157 -13.575 -23.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.651 -13.500 -21.651 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.625 -12.126 -22.013 1.00 0.00 H new ATOM 8 N SER A 2 3.022 -12.514 -20.155 1.00 0.00 N ATOM 9 CA SER A 2 2.174 -12.680 -18.980 1.00 0.00 C ATOM 10 C SER A 2 0.733 -12.968 -19.387 1.00 0.00 C ATOM 11 O SER A 2 0.153 -12.255 -20.206 1.00 0.00 O ATOM 12 CB SER A 2 2.229 -11.427 -18.105 1.00 0.00 C ATOM 13 OG SER A 2 1.452 -10.381 -18.663 1.00 0.00 O ATOM 0 H SER A 2 2.978 -11.588 -20.580 1.00 0.00 H new ATOM 0 HA SER A 2 2.548 -13.530 -18.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.864 -11.662 -17.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.263 -11.099 -17.998 1.00 0.00 H new ATOM 0 HG SER A 2 1.502 -9.592 -18.084 1.00 0.00 H new ATOM 19 N SER A 3 0.159 -14.018 -18.808 1.00 0.00 N ATOM 20 CA SER A 3 -1.214 -14.404 -19.113 1.00 0.00 C ATOM 21 C SER A 3 -2.174 -13.878 -18.050 1.00 0.00 C ATOM 22 O SER A 3 -3.234 -13.341 -18.367 1.00 0.00 O ATOM 23 CB SER A 3 -1.328 -15.926 -19.211 1.00 0.00 C ATOM 24 OG SER A 3 -1.053 -16.374 -20.528 1.00 0.00 O ATOM 0 H SER A 3 0.623 -14.617 -18.125 1.00 0.00 H new ATOM 0 HA SER A 3 -1.485 -13.964 -20.073 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.633 -16.392 -18.512 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.331 -16.238 -18.919 1.00 0.00 H new ATOM 0 HG SER A 3 -1.131 -17.350 -20.564 1.00 0.00 H new ATOM 30 N GLY A 4 -1.794 -14.039 -16.786 1.00 0.00 N ATOM 31 CA GLY A 4 -2.631 -13.576 -15.695 1.00 0.00 C ATOM 32 C GLY A 4 -1.959 -12.501 -14.864 1.00 0.00 C ATOM 33 O GLY A 4 -0.949 -12.754 -14.208 1.00 0.00 O ATOM 0 H GLY A 4 -0.921 -14.482 -16.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.566 -13.187 -16.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.886 -14.420 -15.054 1.00 0.00 H new ATOM 37 N SER A 5 -2.520 -11.296 -14.892 1.00 0.00 N ATOM 38 CA SER A 5 -1.965 -10.177 -14.140 1.00 0.00 C ATOM 39 C SER A 5 -1.837 -10.527 -12.661 1.00 0.00 C ATOM 40 O SER A 5 -2.835 -10.625 -11.946 1.00 0.00 O ATOM 41 CB SER A 5 -2.845 -8.936 -14.308 1.00 0.00 C ATOM 42 OG SER A 5 -2.186 -7.776 -13.831 1.00 0.00 O ATOM 0 H SER A 5 -3.358 -11.070 -15.427 1.00 0.00 H new ATOM 0 HA SER A 5 -0.971 -9.965 -14.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.100 -8.807 -15.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.781 -9.074 -13.768 1.00 0.00 H new ATOM 0 HG SER A 5 -2.768 -6.997 -13.951 1.00 0.00 H new ATOM 48 N SER A 6 -0.602 -10.714 -12.208 1.00 0.00 N ATOM 49 CA SER A 6 -0.342 -11.057 -10.815 1.00 0.00 C ATOM 50 C SER A 6 -0.968 -10.029 -9.876 1.00 0.00 C ATOM 51 O SER A 6 -1.681 -10.382 -8.938 1.00 0.00 O ATOM 52 CB SER A 6 1.164 -11.144 -10.561 1.00 0.00 C ATOM 53 OG SER A 6 1.455 -12.069 -9.528 1.00 0.00 O ATOM 0 H SER A 6 0.235 -10.634 -12.786 1.00 0.00 H new ATOM 0 HA SER A 6 -0.794 -12.029 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.673 -11.445 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.548 -10.160 -10.291 1.00 0.00 H new ATOM 0 HG SER A 6 2.335 -12.469 -9.686 1.00 0.00 H new ATOM 59 N GLY A 7 -0.694 -8.754 -10.138 1.00 0.00 N ATOM 60 CA GLY A 7 -1.238 -7.694 -9.309 1.00 0.00 C ATOM 61 C GLY A 7 -1.124 -6.331 -9.963 1.00 0.00 C ATOM 62 O GLY A 7 -1.188 -6.215 -11.187 1.00 0.00 O ATOM 0 H GLY A 7 -0.106 -8.437 -10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.286 -7.905 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.715 -7.680 -8.353 1.00 0.00 H new ATOM 66 N ARG A 8 -0.956 -5.297 -9.146 1.00 0.00 N ATOM 67 CA ARG A 8 -0.836 -3.935 -9.652 1.00 0.00 C ATOM 68 C ARG A 8 0.515 -3.333 -9.278 1.00 0.00 C ATOM 69 O ARG A 8 0.583 -2.315 -8.590 1.00 0.00 O ATOM 70 CB ARG A 8 -1.965 -3.062 -9.100 1.00 0.00 C ATOM 71 CG ARG A 8 -2.281 -3.328 -7.637 1.00 0.00 C ATOM 72 CD ARG A 8 -3.357 -2.385 -7.120 1.00 0.00 C ATOM 73 NE ARG A 8 -4.695 -2.805 -7.526 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.247 -2.476 -8.688 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.580 -1.727 -9.555 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.470 -2.897 -8.986 1.00 0.00 N ATOM 0 H ARG A 8 -0.900 -5.376 -8.131 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.911 -3.970 -10.739 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.693 -2.013 -9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.864 -3.228 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.611 -4.360 -7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.376 -3.211 -7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.306 -2.339 -6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.165 -1.378 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.235 -3.383 -6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.640 -1.402 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.007 -1.476 -10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.987 -3.474 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.893 -2.644 -9.879 1.00 0.00 H new ATOM 90 N MET A 9 1.588 -3.969 -9.738 1.00 0.00 N ATOM 91 CA MET A 9 2.937 -3.496 -9.452 1.00 0.00 C ATOM 92 C MET A 9 2.982 -1.972 -9.416 1.00 0.00 C ATOM 93 O MET A 9 2.832 -1.312 -10.445 1.00 0.00 O ATOM 94 CB MET A 9 3.918 -4.022 -10.502 1.00 0.00 C ATOM 95 CG MET A 9 4.537 -5.362 -10.137 1.00 0.00 C ATOM 96 SD MET A 9 3.360 -6.723 -10.244 1.00 0.00 S ATOM 97 CE MET A 9 4.266 -8.021 -9.407 1.00 0.00 C ATOM 0 H MET A 9 1.549 -4.813 -10.310 1.00 0.00 H new ATOM 0 HA MET A 9 3.228 -3.874 -8.472 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.400 -4.118 -11.456 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.713 -3.290 -10.644 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.379 -5.562 -10.800 1.00 0.00 H new ATOM 0 HG3 MET A 9 4.935 -5.310 -9.124 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.622 -8.891 -9.281 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.138 -8.297 -10.000 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.591 -7.666 -8.429 1.00 0.00 H new ATOM 107 N VAL A 10 3.191 -1.418 -8.226 1.00 0.00 N ATOM 108 CA VAL A 10 3.256 0.029 -8.057 1.00 0.00 C ATOM 109 C VAL A 10 4.701 0.506 -7.963 1.00 0.00 C ATOM 110 O VAL A 10 5.416 0.173 -7.018 1.00 0.00 O ATOM 111 CB VAL A 10 2.495 0.482 -6.797 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.716 1.965 -6.544 1.00 0.00 C ATOM 113 CG2 VAL A 10 1.012 0.170 -6.931 1.00 0.00 C ATOM 0 H VAL A 10 3.318 -1.949 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 10 2.786 0.472 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 10 2.883 -0.069 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.171 2.267 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.780 2.155 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.356 2.538 -7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.489 0.496 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.607 0.693 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.876 -0.904 -7.060 1.00 0.00 H new ATOM 123 N GLY A 11 5.126 1.289 -8.950 1.00 0.00 N ATOM 124 CA GLY A 11 6.484 1.801 -8.960 1.00 0.00 C ATOM 125 C GLY A 11 6.585 3.191 -8.364 1.00 0.00 C ATOM 126 O GLY A 11 5.843 4.094 -8.752 1.00 0.00 O ATOM 0 H GLY A 11 4.554 1.578 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.129 1.122 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.854 1.821 -9.985 1.00 0.00 H new ATOM 130 N ILE A 12 7.502 3.363 -7.419 1.00 0.00 N ATOM 131 CA ILE A 12 7.696 4.653 -6.769 1.00 0.00 C ATOM 132 C ILE A 12 9.133 5.138 -6.927 1.00 0.00 C ATOM 133 O ILE A 12 10.079 4.362 -6.792 1.00 0.00 O ATOM 134 CB ILE A 12 7.351 4.586 -5.270 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.941 4.024 -5.074 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.471 5.963 -4.636 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.743 3.342 -3.738 1.00 0.00 C ATOM 0 H ILE A 12 8.123 2.625 -7.086 1.00 0.00 H new ATOM 0 HA ILE A 12 7.022 5.356 -7.258 1.00 0.00 H new ATOM 0 HB ILE A 12 8.060 3.919 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.219 4.835 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.728 3.312 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.224 5.898 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.492 6.328 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.783 6.651 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.722 2.968 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.441 2.510 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.924 4.056 -2.935 1.00 0.00 H new ATOM 149 N ARG A 13 9.289 6.427 -7.212 1.00 0.00 N ATOM 150 CA ARG A 13 10.611 7.016 -7.388 1.00 0.00 C ATOM 151 C ARG A 13 11.045 7.764 -6.130 1.00 0.00 C ATOM 152 O ARG A 13 11.683 8.814 -6.208 1.00 0.00 O ATOM 153 CB ARG A 13 10.614 7.967 -8.586 1.00 0.00 C ATOM 154 CG ARG A 13 9.439 8.930 -8.602 1.00 0.00 C ATOM 155 CD ARG A 13 9.721 10.139 -9.480 1.00 0.00 C ATOM 156 NE ARG A 13 9.599 9.824 -10.901 1.00 0.00 N ATOM 157 CZ ARG A 13 9.820 10.704 -11.871 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.172 11.948 -11.574 1.00 0.00 N ATOM 159 NH2 ARG A 13 9.689 10.342 -13.140 1.00 0.00 N ATOM 0 H ARG A 13 8.516 7.083 -7.326 1.00 0.00 H new ATOM 0 HA ARG A 13 11.319 6.208 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.542 8.539 -8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.605 7.380 -9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.550 8.415 -8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.223 9.260 -7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.028 10.941 -9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.726 10.509 -9.276 1.00 0.00 H new ATOM 0 HE ARG A 13 9.329 8.876 -11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.273 12.230 -10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.341 12.622 -12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.418 9.386 -13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.859 11.019 -13.884 1.00 0.00 H new ATOM 173 N LYS A 14 10.693 7.216 -4.972 1.00 0.00 N ATOM 174 CA LYS A 14 11.045 7.830 -3.697 1.00 0.00 C ATOM 175 C LYS A 14 12.558 7.963 -3.557 1.00 0.00 C ATOM 176 O LYS A 14 13.314 7.512 -4.418 1.00 0.00 O ATOM 177 CB LYS A 14 10.486 7.002 -2.537 1.00 0.00 C ATOM 178 CG LYS A 14 11.246 5.710 -2.290 1.00 0.00 C ATOM 179 CD LYS A 14 11.221 5.320 -0.822 1.00 0.00 C ATOM 180 CE LYS A 14 9.798 5.253 -0.288 1.00 0.00 C ATOM 181 NZ LYS A 14 9.228 3.882 -0.397 1.00 0.00 N ATOM 0 H LYS A 14 10.164 6.348 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 14 10.606 8.827 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.506 7.605 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.441 6.766 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.809 4.910 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.279 5.826 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.705 4.352 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.795 6.043 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.786 5.569 0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.170 5.952 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.241 3.889 -0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.262 3.570 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.783 3.228 0.191 1.00 0.00 H new ATOM 195 N THR A 15 12.995 8.585 -2.466 1.00 0.00 N ATOM 196 CA THR A 15 14.417 8.777 -2.213 1.00 0.00 C ATOM 197 C THR A 15 14.797 8.296 -0.817 1.00 0.00 C ATOM 198 O THR A 15 13.987 8.344 0.108 1.00 0.00 O ATOM 199 CB THR A 15 14.819 10.256 -2.361 1.00 0.00 C ATOM 200 OG1 THR A 15 14.410 10.749 -3.642 1.00 0.00 O ATOM 201 CG2 THR A 15 16.322 10.427 -2.203 1.00 0.00 C ATOM 0 H THR A 15 12.383 8.964 -1.743 1.00 0.00 H new ATOM 0 HA THR A 15 14.953 8.186 -2.956 1.00 0.00 H new ATOM 0 HB THR A 15 14.320 10.825 -1.577 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.668 11.691 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.582 11.480 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.626 10.078 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.837 9.846 -2.968 1.00 0.00 H new ATOM 209 N ALA A 16 16.035 7.835 -0.672 1.00 0.00 N ATOM 210 CA ALA A 16 16.523 7.348 0.613 1.00 0.00 C ATOM 211 C ALA A 16 16.162 8.312 1.738 1.00 0.00 C ATOM 212 O ALA A 16 16.753 9.384 1.863 1.00 0.00 O ATOM 213 CB ALA A 16 18.029 7.137 0.559 1.00 0.00 C ATOM 0 H ALA A 16 16.718 7.788 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 16 16.040 6.393 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.380 6.773 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.266 6.405 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.521 8.082 0.326 1.00 0.00 H new ATOM 219 N GLY A 17 15.188 7.923 2.555 1.00 0.00 N ATOM 220 CA GLY A 17 14.764 8.765 3.658 1.00 0.00 C ATOM 221 C GLY A 17 13.412 9.404 3.414 1.00 0.00 C ATOM 222 O GLY A 17 13.213 10.582 3.709 1.00 0.00 O ATOM 0 H GLY A 17 14.685 7.040 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.721 8.169 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.507 9.546 3.821 1.00 0.00 H new ATOM 226 N GLU A 18 12.480 8.626 2.873 1.00 0.00 N ATOM 227 CA GLU A 18 11.140 9.125 2.587 1.00 0.00 C ATOM 228 C GLU A 18 10.078 8.157 3.101 1.00 0.00 C ATOM 229 O GLU A 18 10.110 6.964 2.797 1.00 0.00 O ATOM 230 CB GLU A 18 10.962 9.342 1.083 1.00 0.00 C ATOM 231 CG GLU A 18 11.620 10.613 0.570 1.00 0.00 C ATOM 232 CD GLU A 18 10.727 11.830 0.712 1.00 0.00 C ATOM 233 OE1 GLU A 18 9.977 11.902 1.708 1.00 0.00 O ATOM 234 OE2 GLU A 18 10.778 12.710 -0.172 1.00 0.00 O ATOM 0 H GLU A 18 12.628 7.648 2.624 1.00 0.00 H new ATOM 0 HA GLU A 18 11.018 10.078 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.377 8.487 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.897 9.375 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.548 10.783 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.886 10.482 -0.479 1.00 0.00 H new ATOM 241 N HIS A 19 9.138 8.679 3.883 1.00 0.00 N ATOM 242 CA HIS A 19 8.066 7.862 4.440 1.00 0.00 C ATOM 243 C HIS A 19 6.801 7.978 3.595 1.00 0.00 C ATOM 244 O HIS A 19 6.606 8.962 2.881 1.00 0.00 O ATOM 245 CB HIS A 19 7.772 8.282 5.880 1.00 0.00 C ATOM 246 CG HIS A 19 8.721 7.697 6.880 1.00 0.00 C ATOM 247 ND1 HIS A 19 9.810 8.384 7.375 1.00 0.00 N ATOM 248 CD2 HIS A 19 8.739 6.484 7.479 1.00 0.00 C ATOM 249 CE1 HIS A 19 10.458 7.617 8.234 1.00 0.00 C ATOM 250 NE2 HIS A 19 9.828 6.459 8.316 1.00 0.00 N ATOM 0 H HIS A 19 9.097 9.664 4.145 1.00 0.00 H new ATOM 0 HA HIS A 19 8.393 6.822 4.433 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.810 9.369 5.948 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.756 7.982 6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.029 5.684 7.327 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.351 7.890 8.777 1.00 0.00 H new ATOM 0 HE2 HIS A 19 10.105 5.674 8.905 1.00 0.00 H new ATOM 259 N LEU A 20 5.944 6.966 3.681 1.00 0.00 N ATOM 260 CA LEU A 20 4.697 6.953 2.924 1.00 0.00 C ATOM 261 C LEU A 20 3.549 7.513 3.757 1.00 0.00 C ATOM 262 O LEU A 20 3.048 8.604 3.487 1.00 0.00 O ATOM 263 CB LEU A 20 4.367 5.530 2.471 1.00 0.00 C ATOM 264 CG LEU A 20 5.011 5.075 1.161 1.00 0.00 C ATOM 265 CD1 LEU A 20 6.479 4.739 1.377 1.00 0.00 C ATOM 266 CD2 LEU A 20 4.267 3.878 0.588 1.00 0.00 C ATOM 0 H LEU A 20 6.090 6.144 4.267 1.00 0.00 H new ATOM 0 HA LEU A 20 4.827 7.586 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.669 4.840 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.285 5.444 2.369 1.00 0.00 H new ATOM 0 HG LEU A 20 4.948 5.893 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.921 4.417 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.004 5.622 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.565 3.937 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.739 3.568 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.298 3.055 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.230 4.152 0.395 1.00 0.00 H new ATOM 278 N GLY A 21 3.138 6.760 4.772 1.00 0.00 N ATOM 279 CA GLY A 21 2.053 7.199 5.630 1.00 0.00 C ATOM 280 C GLY A 21 0.865 6.259 5.589 1.00 0.00 C ATOM 281 O GLY A 21 -0.248 6.667 5.258 1.00 0.00 O ATOM 0 H GLY A 21 3.537 5.853 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.414 7.279 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.734 8.196 5.326 1.00 0.00 H new ATOM 285 N VAL A 22 1.100 4.994 5.926 1.00 0.00 N ATOM 286 CA VAL A 22 0.040 3.993 5.925 1.00 0.00 C ATOM 287 C VAL A 22 0.233 2.988 7.056 1.00 0.00 C ATOM 288 O VAL A 22 1.361 2.652 7.417 1.00 0.00 O ATOM 289 CB VAL A 22 -0.017 3.237 4.585 1.00 0.00 C ATOM 290 CG1 VAL A 22 -0.425 4.175 3.459 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.323 2.582 4.286 1.00 0.00 C ATOM 0 H VAL A 22 2.015 4.639 6.203 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.899 4.526 6.072 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.770 2.452 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.460 3.623 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.409 4.592 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.302 4.983 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.265 2.052 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.097 3.347 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.569 1.877 5.080 1.00 0.00 H new ATOM 301 N THR A 23 -0.876 2.511 7.612 1.00 0.00 N ATOM 302 CA THR A 23 -0.830 1.545 8.702 1.00 0.00 C ATOM 303 C THR A 23 -1.415 0.204 8.273 1.00 0.00 C ATOM 304 O THR A 23 -2.567 0.125 7.847 1.00 0.00 O ATOM 305 CB THR A 23 -1.597 2.054 9.937 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.838 2.644 9.534 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.770 3.075 10.704 1.00 0.00 C ATOM 0 H THR A 23 -1.818 2.778 7.325 1.00 0.00 H new ATOM 0 HA THR A 23 0.220 1.414 8.964 1.00 0.00 H new ATOM 0 HB THR A 23 -1.794 1.204 10.591 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.007 3.448 10.068 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.332 3.420 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.161 2.615 11.034 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.546 3.922 10.056 1.00 0.00 H new ATOM 315 N PHE A 24 -0.613 -0.850 8.389 1.00 0.00 N ATOM 316 CA PHE A 24 -1.052 -2.189 8.012 1.00 0.00 C ATOM 317 C PHE A 24 -1.432 -3.003 9.245 1.00 0.00 C ATOM 318 O PHE A 24 -1.157 -2.602 10.376 1.00 0.00 O ATOM 319 CB PHE A 24 0.050 -2.908 7.232 1.00 0.00 C ATOM 320 CG PHE A 24 0.566 -2.123 6.060 1.00 0.00 C ATOM 321 CD1 PHE A 24 -0.020 -2.251 4.811 1.00 0.00 C ATOM 322 CD2 PHE A 24 1.636 -1.255 6.208 1.00 0.00 C ATOM 323 CE1 PHE A 24 0.453 -1.530 3.731 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.113 -0.530 5.132 1.00 0.00 C ATOM 325 CZ PHE A 24 1.520 -0.667 3.892 1.00 0.00 C ATOM 0 H PHE A 24 0.343 -0.803 8.741 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.933 -2.091 7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.878 -3.125 7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.332 -3.865 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.856 -2.922 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.103 -1.144 7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.011 -1.641 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.948 0.143 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.890 -0.101 3.050 1.00 0.00 H new ATOM 335 N ARG A 25 -2.065 -4.149 9.018 1.00 0.00 N ATOM 336 CA ARG A 25 -2.485 -5.020 10.109 1.00 0.00 C ATOM 337 C ARG A 25 -2.292 -6.487 9.740 1.00 0.00 C ATOM 338 O ARG A 25 -2.379 -6.860 8.570 1.00 0.00 O ATOM 339 CB ARG A 25 -3.951 -4.761 10.462 1.00 0.00 C ATOM 340 CG ARG A 25 -4.932 -5.503 9.569 1.00 0.00 C ATOM 341 CD ARG A 25 -6.289 -4.815 9.539 1.00 0.00 C ATOM 342 NE ARG A 25 -7.159 -5.275 10.618 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.389 -4.815 10.817 1.00 0.00 C ATOM 344 NH1 ARG A 25 -8.891 -3.887 10.014 1.00 0.00 N ATOM 345 NH2 ARG A 25 -9.119 -5.283 11.821 1.00 0.00 N ATOM 0 H ARG A 25 -2.298 -4.496 8.088 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.864 -4.797 10.977 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.124 -5.052 11.498 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.149 -3.691 10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.531 -5.563 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.049 -6.526 9.927 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.151 -3.737 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.770 -5.004 8.579 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.803 -5.989 11.254 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.332 -3.525 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.836 -3.535 10.169 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.736 -5.997 12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.063 -4.929 11.973 1.00 0.00 H new ATOM 359 N VAL A 26 -2.027 -7.316 10.745 1.00 0.00 N ATOM 360 CA VAL A 26 -1.821 -8.742 10.526 1.00 0.00 C ATOM 361 C VAL A 26 -3.033 -9.548 10.981 1.00 0.00 C ATOM 362 O VAL A 26 -3.340 -9.607 12.171 1.00 0.00 O ATOM 363 CB VAL A 26 -0.572 -9.250 11.270 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.329 -10.720 10.966 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.644 -8.413 10.902 1.00 0.00 C ATOM 0 H VAL A 26 -1.950 -7.024 11.719 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.677 -8.880 9.454 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.744 -9.150 12.342 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.558 -11.060 11.501 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.192 -11.305 11.285 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.178 -10.850 9.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.518 -8.786 11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.820 -8.479 9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.467 -7.373 11.177 1.00 0.00 H new ATOM 375 N GLU A 27 -3.716 -10.169 10.024 1.00 0.00 N ATOM 376 CA GLU A 27 -4.895 -10.972 10.328 1.00 0.00 C ATOM 377 C GLU A 27 -4.691 -12.422 9.899 1.00 0.00 C ATOM 378 O GLU A 27 -5.643 -13.118 9.549 1.00 0.00 O ATOM 379 CB GLU A 27 -6.128 -10.392 9.631 1.00 0.00 C ATOM 380 CG GLU A 27 -6.598 -9.074 10.223 1.00 0.00 C ATOM 381 CD GLU A 27 -8.077 -8.829 9.998 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.585 -9.203 8.921 1.00 0.00 O ATOM 383 OE2 GLU A 27 -8.728 -8.262 10.901 1.00 0.00 O ATOM 0 H GLU A 27 -3.474 -10.132 9.034 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.051 -10.948 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.903 -10.246 8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.941 -11.116 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.391 -9.066 11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.027 -8.257 9.782 1.00 0.00 H new ATOM 390 N GLY A 28 -3.439 -12.871 9.929 1.00 0.00 N ATOM 391 CA GLY A 28 -3.131 -14.235 9.542 1.00 0.00 C ATOM 392 C GLY A 28 -1.738 -14.372 8.960 1.00 0.00 C ATOM 393 O GLY A 28 -0.751 -14.394 9.694 1.00 0.00 O ATOM 0 H GLY A 28 -2.633 -12.314 10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.224 -14.886 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.863 -14.576 8.809 1.00 0.00 H new ATOM 397 N GLY A 29 -1.657 -14.466 7.636 1.00 0.00 N ATOM 398 CA GLY A 29 -0.371 -14.602 6.979 1.00 0.00 C ATOM 399 C GLY A 29 -0.184 -13.601 5.856 1.00 0.00 C ATOM 400 O GLY A 29 0.526 -13.870 4.888 1.00 0.00 O ATOM 0 H GLY A 29 -2.460 -14.450 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.424 -14.472 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.275 -15.612 6.581 1.00 0.00 H new ATOM 404 N GLU A 30 -0.825 -12.443 5.985 1.00 0.00 N ATOM 405 CA GLU A 30 -0.727 -11.400 4.971 1.00 0.00 C ATOM 406 C GLU A 30 -0.741 -10.015 5.612 1.00 0.00 C ATOM 407 O GLU A 30 -1.021 -9.873 6.803 1.00 0.00 O ATOM 408 CB GLU A 30 -1.878 -11.522 3.969 1.00 0.00 C ATOM 409 CG GLU A 30 -3.240 -11.213 4.567 1.00 0.00 C ATOM 410 CD GLU A 30 -3.595 -9.741 4.480 1.00 0.00 C ATOM 411 OE1 GLU A 30 -2.861 -8.992 3.802 1.00 0.00 O ATOM 412 OE2 GLU A 30 -4.607 -9.338 5.090 1.00 0.00 O ATOM 0 H GLU A 30 -1.417 -12.204 6.781 1.00 0.00 H new ATOM 0 HA GLU A 30 0.219 -11.528 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.695 -10.846 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.890 -12.534 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.001 -11.798 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.253 -11.525 5.611 1.00 0.00 H new ATOM 419 N LEU A 31 -0.437 -8.998 4.814 1.00 0.00 N ATOM 420 CA LEU A 31 -0.414 -7.623 5.302 1.00 0.00 C ATOM 421 C LEU A 31 -1.378 -6.747 4.509 1.00 0.00 C ATOM 422 O LEU A 31 -1.199 -6.537 3.309 1.00 0.00 O ATOM 423 CB LEU A 31 1.003 -7.053 5.213 1.00 0.00 C ATOM 424 CG LEU A 31 1.887 -7.255 6.444 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.332 -6.903 6.127 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.376 -6.420 7.609 1.00 0.00 C ATOM 0 H LEU A 31 -0.203 -9.099 3.826 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.732 -7.628 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.501 -7.504 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.931 -5.984 5.014 1.00 0.00 H new ATOM 0 HG LEU A 31 1.845 -8.306 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.946 -7.053 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.694 -7.543 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.393 -5.860 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.017 -6.576 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.388 -5.365 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.357 -6.720 7.852 1.00 0.00 H new ATOM 438 N VAL A 32 -2.400 -6.236 5.187 1.00 0.00 N ATOM 439 CA VAL A 32 -3.391 -5.379 4.547 1.00 0.00 C ATOM 440 C VAL A 32 -3.275 -3.941 5.039 1.00 0.00 C ATOM 441 O VAL A 32 -2.760 -3.687 6.129 1.00 0.00 O ATOM 442 CB VAL A 32 -4.823 -5.885 4.807 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.198 -5.697 6.269 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.812 -5.173 3.898 1.00 0.00 C ATOM 0 H VAL A 32 -2.564 -6.401 6.180 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.191 -5.410 3.476 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.860 -6.951 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.213 -6.060 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.506 -6.257 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.145 -4.639 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.818 -5.543 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.775 -4.101 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.552 -5.365 2.857 1.00 0.00 H new ATOM 454 N ILE A 33 -3.757 -3.004 4.230 1.00 0.00 N ATOM 455 CA ILE A 33 -3.708 -1.591 4.585 1.00 0.00 C ATOM 456 C ILE A 33 -4.877 -1.210 5.487 1.00 0.00 C ATOM 457 O ILE A 33 -5.976 -0.928 5.011 1.00 0.00 O ATOM 458 CB ILE A 33 -3.729 -0.695 3.332 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.387 -0.773 2.601 1.00 0.00 C ATOM 460 CG2 ILE A 33 -4.047 0.743 3.714 1.00 0.00 C ATOM 461 CD1 ILE A 33 -2.360 0.004 1.303 1.00 0.00 C ATOM 0 H ILE A 33 -4.186 -3.197 3.325 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.772 -1.432 5.120 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.509 -1.053 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.603 -0.396 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.155 -1.818 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.058 1.364 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.024 0.784 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.287 1.113 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.379 -0.096 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.122 -0.388 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.560 1.056 1.505 1.00 0.00 H new ATOM 473 N ALA A 34 -4.631 -1.202 6.793 1.00 0.00 N ATOM 474 CA ALA A 34 -5.661 -0.852 7.763 1.00 0.00 C ATOM 475 C ALA A 34 -6.156 0.574 7.548 1.00 0.00 C ATOM 476 O ALA A 34 -7.358 0.815 7.444 1.00 0.00 O ATOM 477 CB ALA A 34 -5.133 -1.022 9.179 1.00 0.00 C ATOM 0 H ALA A 34 -3.727 -1.434 7.204 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.505 -1.527 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.913 -0.757 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.836 -2.059 9.335 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.271 -0.372 9.326 1.00 0.00 H new ATOM 483 N ARG A 35 -5.220 1.516 7.483 1.00 0.00 N ATOM 484 CA ARG A 35 -5.562 2.919 7.282 1.00 0.00 C ATOM 485 C ARG A 35 -4.476 3.634 6.482 1.00 0.00 C ATOM 486 O ARG A 35 -3.343 3.159 6.394 1.00 0.00 O ATOM 487 CB ARG A 35 -5.760 3.616 8.629 1.00 0.00 C ATOM 488 CG ARG A 35 -5.589 5.125 8.566 1.00 0.00 C ATOM 489 CD ARG A 35 -5.669 5.753 9.948 1.00 0.00 C ATOM 490 NE ARG A 35 -6.012 7.171 9.886 1.00 0.00 N ATOM 491 CZ ARG A 35 -7.228 7.622 9.597 1.00 0.00 C ATOM 492 NH1 ARG A 35 -8.211 6.769 9.345 1.00 0.00 N ATOM 493 NH2 ARG A 35 -7.461 8.927 9.559 1.00 0.00 N ATOM 0 H ARG A 35 -4.220 1.333 7.567 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.494 2.963 6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.758 3.387 9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.049 3.208 9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.628 5.365 8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.360 5.553 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.414 5.226 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.712 5.633 10.456 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.278 7.853 10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.034 5.765 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.144 7.117 9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.706 9.586 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.395 9.272 9.337 1.00 0.00 H new ATOM 507 N ILE A 36 -4.830 4.776 5.903 1.00 0.00 N ATOM 508 CA ILE A 36 -3.886 5.555 5.112 1.00 0.00 C ATOM 509 C ILE A 36 -3.905 7.023 5.523 1.00 0.00 C ATOM 510 O ILE A 36 -4.865 7.744 5.249 1.00 0.00 O ATOM 511 CB ILE A 36 -4.194 5.452 3.606 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.864 4.049 3.091 1.00 0.00 C ATOM 513 CG2 ILE A 36 -3.412 6.503 2.833 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.509 3.727 1.761 1.00 0.00 C ATOM 0 H ILE A 36 -5.763 5.182 5.967 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.897 5.139 5.302 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.258 5.634 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.783 3.951 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.186 3.315 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.640 6.418 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.691 7.496 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.344 6.349 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.232 2.718 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.593 3.792 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.168 4.439 1.009 1.00 0.00 H new ATOM 526 N LEU A 37 -2.837 7.461 6.182 1.00 0.00 N ATOM 527 CA LEU A 37 -2.729 8.845 6.630 1.00 0.00 C ATOM 528 C LEU A 37 -3.138 9.810 5.522 1.00 0.00 C ATOM 529 O LEU A 37 -3.083 9.472 4.339 1.00 0.00 O ATOM 530 CB LEU A 37 -1.299 9.145 7.082 1.00 0.00 C ATOM 531 CG LEU A 37 -0.955 8.760 8.521 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.938 7.248 8.680 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.386 9.356 8.926 1.00 0.00 C ATOM 0 H LEU A 37 -2.034 6.878 6.418 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.406 8.982 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.612 8.626 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.117 10.213 6.959 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.724 9.165 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.691 6.993 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.920 6.845 8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.191 6.820 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.615 9.072 9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.166 8.981 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.339 10.442 8.852 1.00 0.00 H new ATOM 545 N HIS A 38 -3.545 11.013 5.913 1.00 0.00 N ATOM 546 CA HIS A 38 -3.960 12.029 4.952 1.00 0.00 C ATOM 547 C HIS A 38 -2.807 12.975 4.629 1.00 0.00 C ATOM 548 O HIS A 38 -2.470 13.852 5.422 1.00 0.00 O ATOM 549 CB HIS A 38 -5.148 12.823 5.498 1.00 0.00 C ATOM 550 CG HIS A 38 -5.921 13.548 4.440 1.00 0.00 C ATOM 551 ND1 HIS A 38 -7.293 13.471 4.325 1.00 0.00 N ATOM 552 CD2 HIS A 38 -5.507 14.368 3.446 1.00 0.00 C ATOM 553 CE1 HIS A 38 -7.689 14.212 3.305 1.00 0.00 C ATOM 554 NE2 HIS A 38 -6.624 14.768 2.755 1.00 0.00 N ATOM 0 H HIS A 38 -3.596 11.308 6.888 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.261 11.524 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.818 12.143 6.024 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.786 13.544 6.231 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.487 14.655 3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.710 14.341 2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.631 15.393 1.949 1.00 0.00 H new ATOM 563 N GLY A 39 -2.206 12.788 3.458 1.00 0.00 N ATOM 564 CA GLY A 39 -1.096 13.631 3.051 1.00 0.00 C ATOM 565 C GLY A 39 0.219 12.878 3.008 1.00 0.00 C ATOM 566 O GLY A 39 0.936 12.811 4.006 1.00 0.00 O ATOM 0 H GLY A 39 -2.467 12.068 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.304 14.050 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.008 14.470 3.742 1.00 0.00 H new ATOM 570 N GLY A 40 0.535 12.308 1.850 1.00 0.00 N ATOM 571 CA GLY A 40 1.772 11.562 1.704 1.00 0.00 C ATOM 572 C GLY A 40 1.871 10.860 0.364 1.00 0.00 C ATOM 573 O GLY A 40 1.152 11.199 -0.576 1.00 0.00 O ATOM 0 H GLY A 40 -0.043 12.349 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.617 12.240 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.844 10.824 2.503 1.00 0.00 H new ATOM 577 N MET A 41 2.764 9.881 0.275 1.00 0.00 N ATOM 578 CA MET A 41 2.955 9.130 -0.960 1.00 0.00 C ATOM 579 C MET A 41 1.639 8.522 -1.435 1.00 0.00 C ATOM 580 O MET A 41 1.112 8.897 -2.483 1.00 0.00 O ATOM 581 CB MET A 41 3.996 8.027 -0.757 1.00 0.00 C ATOM 582 CG MET A 41 4.054 7.028 -1.901 1.00 0.00 C ATOM 583 SD MET A 41 5.694 6.310 -2.113 1.00 0.00 S ATOM 584 CE MET A 41 6.708 7.786 -2.156 1.00 0.00 C ATOM 0 H MET A 41 3.367 9.589 1.044 1.00 0.00 H new ATOM 0 HA MET A 41 3.313 9.820 -1.724 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.978 8.484 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.774 7.495 0.168 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.333 6.231 -1.719 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.756 7.522 -2.826 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.517 7.651 -2.873 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.098 8.638 -2.454 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.127 7.969 -1.166 1.00 0.00 H new ATOM 594 N VAL A 42 1.112 7.581 -0.658 1.00 0.00 N ATOM 595 CA VAL A 42 -0.143 6.921 -0.999 1.00 0.00 C ATOM 596 C VAL A 42 -1.270 7.935 -1.161 1.00 0.00 C ATOM 597 O VAL A 42 -1.887 8.029 -2.221 1.00 0.00 O ATOM 598 CB VAL A 42 -0.544 5.890 0.072 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.894 5.273 -0.260 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.525 4.815 0.203 1.00 0.00 C ATOM 0 H VAL A 42 1.535 7.258 0.212 1.00 0.00 H new ATOM 0 HA VAL A 42 0.017 6.406 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.631 6.402 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.161 4.547 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.652 6.055 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.838 4.774 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.225 4.095 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.646 4.304 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.470 5.275 0.491 1.00 0.00 H new ATOM 610 N ALA A 43 -1.533 8.692 -0.101 1.00 0.00 N ATOM 611 CA ALA A 43 -2.585 9.701 -0.125 1.00 0.00 C ATOM 612 C ALA A 43 -2.646 10.398 -1.480 1.00 0.00 C ATOM 613 O ALA A 43 -3.710 10.495 -2.090 1.00 0.00 O ATOM 614 CB ALA A 43 -2.366 10.719 0.984 1.00 0.00 C ATOM 0 H ALA A 43 -1.032 8.626 0.785 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.539 9.200 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.159 11.466 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.380 10.214 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.402 11.208 0.844 1.00 0.00 H new ATOM 620 N GLN A 44 -1.498 10.881 -1.944 1.00 0.00 N ATOM 621 CA GLN A 44 -1.422 11.570 -3.227 1.00 0.00 C ATOM 622 C GLN A 44 -1.535 10.582 -4.383 1.00 0.00 C ATOM 623 O GLN A 44 -2.143 10.882 -5.410 1.00 0.00 O ATOM 624 CB GLN A 44 -0.112 12.351 -3.334 1.00 0.00 C ATOM 625 CG GLN A 44 0.022 13.460 -2.303 1.00 0.00 C ATOM 626 CD GLN A 44 -1.020 14.548 -2.477 1.00 0.00 C ATOM 627 OE1 GLN A 44 -1.483 14.807 -3.588 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.395 15.191 -1.377 1.00 0.00 N ATOM 0 H GLN A 44 -0.608 10.808 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.258 12.267 -3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.723 11.660 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.037 12.783 -4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.066 13.034 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.017 13.900 -2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.985 14.943 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.093 15.932 -1.433 1.00 0.00 H new ATOM 637 N GLN A 45 -0.945 9.404 -4.208 1.00 0.00 N ATOM 638 CA GLN A 45 -0.979 8.372 -5.238 1.00 0.00 C ATOM 639 C GLN A 45 -2.259 7.548 -5.141 1.00 0.00 C ATOM 640 O GLN A 45 -2.446 6.782 -4.197 1.00 0.00 O ATOM 641 CB GLN A 45 0.241 7.458 -5.114 1.00 0.00 C ATOM 642 CG GLN A 45 1.449 7.946 -5.897 1.00 0.00 C ATOM 643 CD GLN A 45 1.276 7.787 -7.395 1.00 0.00 C ATOM 644 OE1 GLN A 45 0.237 7.322 -7.866 1.00 0.00 O ATOM 645 NE2 GLN A 45 2.296 8.172 -8.153 1.00 0.00 N ATOM 0 H GLN A 45 -0.438 9.140 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.958 8.864 -6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.512 7.369 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.027 6.460 -5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.628 8.996 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.332 7.394 -5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.138 8.552 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.237 8.088 -9.168 1.00 0.00 H new ATOM 654 N GLY A 46 -3.139 7.713 -6.125 1.00 0.00 N ATOM 655 CA GLY A 46 -4.390 6.978 -6.131 1.00 0.00 C ATOM 656 C GLY A 46 -4.228 5.562 -6.646 1.00 0.00 C ATOM 657 O GLY A 46 -5.089 5.053 -7.367 1.00 0.00 O ATOM 0 H GLY A 46 -3.007 8.342 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.796 6.949 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.115 7.506 -6.751 1.00 0.00 H new ATOM 661 N LEU A 47 -3.123 4.923 -6.279 1.00 0.00 N ATOM 662 CA LEU A 47 -2.850 3.556 -6.711 1.00 0.00 C ATOM 663 C LEU A 47 -3.204 2.558 -5.614 1.00 0.00 C ATOM 664 O LEU A 47 -3.852 1.541 -5.870 1.00 0.00 O ATOM 665 CB LEU A 47 -1.377 3.407 -7.096 1.00 0.00 C ATOM 666 CG LEU A 47 -0.727 4.627 -7.749 1.00 0.00 C ATOM 667 CD1 LEU A 47 0.763 4.395 -7.948 1.00 0.00 C ATOM 668 CD2 LEU A 47 -1.401 4.945 -9.075 1.00 0.00 C ATOM 0 H LEU A 47 -2.401 5.329 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.470 3.345 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.811 3.156 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.284 2.562 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.855 5.482 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.209 5.274 -8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.236 4.217 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.914 3.528 -8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.925 5.816 -9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.305 4.091 -9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.457 5.156 -8.905 1.00 0.00 H new ATOM 680 N LEU A 48 -2.778 2.854 -4.391 1.00 0.00 N ATOM 681 CA LEU A 48 -3.053 1.983 -3.253 1.00 0.00 C ATOM 682 C LEU A 48 -4.165 2.559 -2.383 1.00 0.00 C ATOM 683 O LEU A 48 -4.373 3.772 -2.345 1.00 0.00 O ATOM 684 CB LEU A 48 -1.786 1.788 -2.418 1.00 0.00 C ATOM 685 CG LEU A 48 -0.524 1.408 -3.193 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.720 1.804 -2.413 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.513 -0.084 -3.496 1.00 0.00 C ATOM 0 H LEU A 48 -2.241 3.690 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.381 1.017 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.589 2.711 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.980 1.014 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.524 1.951 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.609 1.526 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.718 2.881 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.726 1.289 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.392 -0.337 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.537 -0.645 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.387 -0.340 -4.095 1.00 0.00 H new ATOM 699 N HIS A 49 -4.877 1.681 -1.683 1.00 0.00 N ATOM 700 CA HIS A 49 -5.967 2.102 -0.810 1.00 0.00 C ATOM 701 C HIS A 49 -6.320 1.003 0.187 1.00 0.00 C ATOM 702 O HIS A 49 -5.847 -0.128 0.074 1.00 0.00 O ATOM 703 CB HIS A 49 -7.199 2.470 -1.638 1.00 0.00 C ATOM 704 CG HIS A 49 -7.236 3.910 -2.049 1.00 0.00 C ATOM 705 ND1 HIS A 49 -8.066 4.388 -3.041 1.00 0.00 N ATOM 706 CD2 HIS A 49 -6.541 4.978 -1.594 1.00 0.00 C ATOM 707 CE1 HIS A 49 -7.878 5.688 -3.180 1.00 0.00 C ATOM 708 NE2 HIS A 49 -6.958 6.071 -2.313 1.00 0.00 N ATOM 0 H HIS A 49 -4.718 0.674 -1.703 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.636 2.980 -0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.227 1.845 -2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.095 2.242 -1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.797 4.972 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.389 6.329 -3.883 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -6.613 7.024 -2.197 1.00 0.00 H new ATOM 717 N VAL A 50 -7.154 1.343 1.165 1.00 0.00 N ATOM 718 CA VAL A 50 -7.570 0.385 2.182 1.00 0.00 C ATOM 719 C VAL A 50 -8.069 -0.908 1.548 1.00 0.00 C ATOM 720 O VAL A 50 -8.842 -0.885 0.591 1.00 0.00 O ATOM 721 CB VAL A 50 -8.680 0.966 3.079 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.207 -0.096 4.032 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.167 2.175 3.846 1.00 0.00 C ATOM 0 H VAL A 50 -7.555 2.275 1.274 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.693 0.171 2.793 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.504 1.291 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.990 0.333 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.615 -0.929 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.394 -0.454 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.964 2.572 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.325 1.878 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.843 2.942 3.142 1.00 0.00 H new ATOM 733 N GLY A 51 -7.621 -2.037 2.089 1.00 0.00 N ATOM 734 CA GLY A 51 -8.032 -3.326 1.563 1.00 0.00 C ATOM 735 C GLY A 51 -6.950 -3.985 0.731 1.00 0.00 C ATOM 736 O GLY A 51 -6.868 -5.212 0.667 1.00 0.00 O ATOM 0 H GLY A 51 -6.981 -2.082 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.301 -3.983 2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.927 -3.198 0.954 1.00 0.00 H new ATOM 740 N ASP A 52 -6.119 -3.170 0.092 1.00 0.00 N ATOM 741 CA ASP A 52 -5.036 -3.681 -0.741 1.00 0.00 C ATOM 742 C ASP A 52 -4.146 -4.635 0.050 1.00 0.00 C ATOM 743 O ASP A 52 -3.741 -4.333 1.173 1.00 0.00 O ATOM 744 CB ASP A 52 -4.201 -2.525 -1.295 1.00 0.00 C ATOM 745 CG ASP A 52 -4.816 -1.910 -2.537 1.00 0.00 C ATOM 746 OD1 ASP A 52 -4.748 -2.545 -3.610 1.00 0.00 O ATOM 747 OD2 ASP A 52 -5.366 -0.794 -2.435 1.00 0.00 O ATOM 0 H ASP A 52 -6.174 -2.152 0.134 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.478 -4.230 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.094 -1.758 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.199 -2.884 -1.529 1.00 0.00 H new ATOM 752 N ILE A 53 -3.847 -5.785 -0.544 1.00 0.00 N ATOM 753 CA ILE A 53 -3.005 -6.783 0.105 1.00 0.00 C ATOM 754 C ILE A 53 -1.619 -6.828 -0.528 1.00 0.00 C ATOM 755 O ILE A 53 -1.486 -6.922 -1.749 1.00 0.00 O ATOM 756 CB ILE A 53 -3.636 -8.185 0.033 1.00 0.00 C ATOM 757 CG1 ILE A 53 -5.073 -8.149 0.559 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.803 -9.183 0.824 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.166 -7.904 2.048 1.00 0.00 C ATOM 0 H ILE A 53 -4.175 -6.049 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.915 -6.488 1.150 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.657 -8.504 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.623 -7.367 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.561 -9.095 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.263 -10.170 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.796 -9.226 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.753 -8.870 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.213 -7.891 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.644 -8.699 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.708 -6.945 2.288 1.00 0.00 H new ATOM 771 N ILE A 54 -0.589 -6.763 0.309 1.00 0.00 N ATOM 772 CA ILE A 54 0.787 -6.800 -0.169 1.00 0.00 C ATOM 773 C ILE A 54 1.342 -8.221 -0.139 1.00 0.00 C ATOM 774 O ILE A 54 1.650 -8.757 0.925 1.00 0.00 O ATOM 775 CB ILE A 54 1.700 -5.887 0.671 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.111 -4.478 0.754 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.100 -5.848 0.077 1.00 0.00 C ATOM 778 CD1 ILE A 54 1.622 -3.678 1.932 1.00 0.00 C ATOM 0 H ILE A 54 -0.682 -6.684 1.322 1.00 0.00 H new ATOM 0 HA ILE A 54 0.773 -6.439 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 54 1.766 -6.293 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.342 -3.942 -0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.025 -4.550 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.734 -5.199 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.518 -6.854 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.052 -5.463 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.162 -2.690 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.368 -4.192 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.705 -3.575 1.859 1.00 0.00 H new ATOM 790 N LYS A 55 1.468 -8.826 -1.316 1.00 0.00 N ATOM 791 CA LYS A 55 1.988 -10.183 -1.427 1.00 0.00 C ATOM 792 C LYS A 55 3.508 -10.196 -1.294 1.00 0.00 C ATOM 793 O LYS A 55 4.061 -10.913 -0.461 1.00 0.00 O ATOM 794 CB LYS A 55 1.577 -10.801 -2.765 1.00 0.00 C ATOM 795 CG LYS A 55 2.232 -12.143 -3.042 1.00 0.00 C ATOM 796 CD LYS A 55 1.383 -13.294 -2.529 1.00 0.00 C ATOM 797 CE LYS A 55 1.562 -14.541 -3.381 1.00 0.00 C ATOM 798 NZ LYS A 55 2.653 -15.413 -2.866 1.00 0.00 N ATOM 0 H LYS A 55 1.217 -8.397 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 55 1.565 -10.775 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.494 -10.924 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.831 -10.109 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.391 -12.257 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.213 -12.174 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.654 -13.515 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.333 -13.001 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.628 -15.103 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.784 -14.250 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.743 -16.252 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.549 -14.886 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.430 -15.712 -1.895 1.00 0.00 H new ATOM 812 N GLU A 56 4.176 -9.396 -2.120 1.00 0.00 N ATOM 813 CA GLU A 56 5.632 -9.316 -2.093 1.00 0.00 C ATOM 814 C GLU A 56 6.107 -7.912 -2.457 1.00 0.00 C ATOM 815 O GLU A 56 5.320 -7.073 -2.895 1.00 0.00 O ATOM 816 CB GLU A 56 6.239 -10.338 -3.057 1.00 0.00 C ATOM 817 CG GLU A 56 6.443 -9.801 -4.463 1.00 0.00 C ATOM 818 CD GLU A 56 6.935 -10.863 -5.427 1.00 0.00 C ATOM 819 OE1 GLU A 56 6.692 -12.060 -5.167 1.00 0.00 O ATOM 820 OE2 GLU A 56 7.562 -10.497 -6.443 1.00 0.00 O ATOM 0 H GLU A 56 3.733 -8.795 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 56 5.964 -9.541 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.198 -10.672 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.590 -11.213 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.503 -9.389 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.161 -8.981 -4.434 1.00 0.00 H new ATOM 827 N VAL A 57 7.399 -7.665 -2.272 1.00 0.00 N ATOM 828 CA VAL A 57 7.980 -6.364 -2.581 1.00 0.00 C ATOM 829 C VAL A 57 9.364 -6.513 -3.203 1.00 0.00 C ATOM 830 O VAL A 57 10.272 -7.076 -2.592 1.00 0.00 O ATOM 831 CB VAL A 57 8.088 -5.483 -1.322 1.00 0.00 C ATOM 832 CG1 VAL A 57 9.053 -4.331 -1.556 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.716 -4.966 -0.916 1.00 0.00 C ATOM 0 H VAL A 57 8.064 -8.349 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 57 7.313 -5.883 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 57 8.479 -6.091 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.116 -3.720 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.040 -4.726 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.696 -3.720 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.810 -4.345 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.296 -4.373 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.058 -5.809 -0.703 1.00 0.00 H new ATOM 843 N ASN A 58 9.518 -6.005 -4.421 1.00 0.00 N ATOM 844 CA ASN A 58 10.793 -6.082 -5.126 1.00 0.00 C ATOM 845 C ASN A 58 11.259 -7.529 -5.250 1.00 0.00 C ATOM 846 O ASN A 58 12.456 -7.802 -5.334 1.00 0.00 O ATOM 847 CB ASN A 58 11.853 -5.253 -4.398 1.00 0.00 C ATOM 848 CG ASN A 58 11.660 -3.763 -4.598 1.00 0.00 C ATOM 849 OD1 ASN A 58 11.456 -3.297 -5.719 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.724 -3.006 -3.508 1.00 0.00 N ATOM 0 H ASN A 58 8.776 -5.536 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 58 10.651 -5.678 -6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.820 -5.481 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.842 -5.539 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.602 -1.996 -3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.895 -3.435 -2.599 1.00 0.00 H new ATOM 857 N GLY A 59 10.304 -8.454 -5.261 1.00 0.00 N ATOM 858 CA GLY A 59 10.636 -9.862 -5.375 1.00 0.00 C ATOM 859 C GLY A 59 11.084 -10.461 -4.057 1.00 0.00 C ATOM 860 O GLY A 59 12.067 -11.201 -4.007 1.00 0.00 O ATOM 0 H GLY A 59 9.306 -8.253 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.767 -10.408 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.427 -9.987 -6.115 1.00 0.00 H new ATOM 864 N GLN A 60 10.363 -10.141 -2.988 1.00 0.00 N ATOM 865 CA GLN A 60 10.695 -10.651 -1.663 1.00 0.00 C ATOM 866 C GLN A 60 9.491 -10.566 -0.730 1.00 0.00 C ATOM 867 O GLN A 60 8.607 -9.725 -0.893 1.00 0.00 O ATOM 868 CB GLN A 60 11.870 -9.871 -1.071 1.00 0.00 C ATOM 869 CG GLN A 60 13.228 -10.449 -1.433 1.00 0.00 C ATOM 870 CD GLN A 60 14.299 -10.104 -0.417 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.068 -9.319 0.503 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.480 -10.690 -0.579 1.00 0.00 N ATOM 0 H GLN A 60 9.546 -9.531 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 60 10.980 -11.698 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.820 -8.838 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.771 -9.850 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.147 -11.533 -1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.528 -10.076 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.627 -11.334 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.239 -10.496 0.074 1.00 0.00 H new ATOM 881 N PRO A 61 9.454 -11.456 0.273 1.00 0.00 N ATOM 882 CA PRO A 61 8.364 -11.501 1.252 1.00 0.00 C ATOM 883 C PRO A 61 8.377 -10.299 2.190 1.00 0.00 C ATOM 884 O PRO A 61 9.429 -9.716 2.454 1.00 0.00 O ATOM 885 CB PRO A 61 8.640 -12.790 2.030 1.00 0.00 C ATOM 886 CG PRO A 61 10.106 -13.012 1.888 1.00 0.00 C ATOM 887 CD PRO A 61 10.474 -12.487 0.528 1.00 0.00 C ATOM 0 HA PRO A 61 7.385 -11.477 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.355 -12.689 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.072 -13.627 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.657 -12.490 2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.351 -14.070 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.480 -12.068 0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.448 -13.273 -0.227 1.00 0.00 H new ATOM 895 N VAL A 62 7.202 -9.932 2.691 1.00 0.00 N ATOM 896 CA VAL A 62 7.079 -8.800 3.601 1.00 0.00 C ATOM 897 C VAL A 62 7.012 -9.266 5.052 1.00 0.00 C ATOM 898 O VAL A 62 7.280 -8.497 5.974 1.00 0.00 O ATOM 899 CB VAL A 62 5.828 -7.959 3.285 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.893 -7.417 1.866 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.566 -8.784 3.492 1.00 0.00 C ATOM 0 H VAL A 62 6.321 -10.402 2.482 1.00 0.00 H new ATOM 0 HA VAL A 62 7.967 -8.183 3.461 1.00 0.00 H new ATOM 0 HB VAL A 62 5.798 -7.112 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.001 -6.826 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.777 -6.789 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.948 -8.247 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.691 -8.175 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.586 -9.651 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.516 -9.118 4.528 1.00 0.00 H new ATOM 911 N GLY A 63 6.652 -10.531 5.245 1.00 0.00 N ATOM 912 CA GLY A 63 6.556 -11.078 6.586 1.00 0.00 C ATOM 913 C GLY A 63 5.308 -10.618 7.312 1.00 0.00 C ATOM 914 O GLY A 63 4.517 -9.845 6.772 1.00 0.00 O ATOM 0 H GLY A 63 6.425 -11.187 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.561 -12.167 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.435 -10.783 7.159 1.00 0.00 H new ATOM 918 N SER A 64 5.129 -11.095 8.540 1.00 0.00 N ATOM 919 CA SER A 64 3.965 -10.732 9.339 1.00 0.00 C ATOM 920 C SER A 64 4.283 -9.560 10.262 1.00 0.00 C ATOM 921 O SER A 64 3.693 -9.421 11.334 1.00 0.00 O ATOM 922 CB SER A 64 3.492 -11.931 10.164 1.00 0.00 C ATOM 923 OG SER A 64 4.346 -12.157 11.272 1.00 0.00 O ATOM 0 H SER A 64 5.776 -11.734 9.003 1.00 0.00 H new ATOM 0 HA SER A 64 3.169 -10.431 8.659 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.475 -11.756 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.464 -12.821 9.535 1.00 0.00 H new ATOM 0 HG SER A 64 4.021 -12.927 11.784 1.00 0.00 H new ATOM 929 N ASP A 65 5.221 -8.719 9.838 1.00 0.00 N ATOM 930 CA ASP A 65 5.618 -7.557 10.624 1.00 0.00 C ATOM 931 C ASP A 65 5.349 -6.265 9.860 1.00 0.00 C ATOM 932 O ASP A 65 6.122 -5.856 8.993 1.00 0.00 O ATOM 933 CB ASP A 65 7.100 -7.647 10.993 1.00 0.00 C ATOM 934 CG ASP A 65 7.419 -6.931 12.290 1.00 0.00 C ATOM 935 OD1 ASP A 65 6.472 -6.613 13.040 1.00 0.00 O ATOM 936 OD2 ASP A 65 8.615 -6.687 12.556 1.00 0.00 O ATOM 0 H ASP A 65 5.720 -8.821 8.954 1.00 0.00 H new ATOM 0 HA ASP A 65 5.023 -7.547 11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.387 -8.695 11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.698 -7.219 10.189 1.00 0.00 H new ATOM 941 N PRO A 66 4.226 -5.607 10.185 1.00 0.00 N ATOM 942 CA PRO A 66 3.829 -4.352 9.540 1.00 0.00 C ATOM 943 C PRO A 66 4.738 -3.190 9.924 1.00 0.00 C ATOM 944 O PRO A 66 5.137 -2.394 9.073 1.00 0.00 O ATOM 945 CB PRO A 66 2.410 -4.118 10.066 1.00 0.00 C ATOM 946 CG PRO A 66 2.364 -4.840 11.368 1.00 0.00 C ATOM 947 CD PRO A 66 3.259 -6.038 11.209 1.00 0.00 C ATOM 0 HA PRO A 66 3.891 -4.414 8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.206 -3.055 10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.662 -4.504 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.708 -4.201 12.181 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.345 -5.143 11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.754 -6.297 12.145 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.700 -6.918 10.889 1.00 0.00 H new ATOM 955 N ARG A 67 5.063 -3.098 11.209 1.00 0.00 N ATOM 956 CA ARG A 67 5.925 -2.032 11.705 1.00 0.00 C ATOM 957 C ARG A 67 7.294 -2.083 11.033 1.00 0.00 C ATOM 958 O ARG A 67 7.926 -1.051 10.810 1.00 0.00 O ATOM 959 CB ARG A 67 6.085 -2.141 13.223 1.00 0.00 C ATOM 960 CG ARG A 67 4.772 -2.052 13.982 1.00 0.00 C ATOM 961 CD ARG A 67 4.968 -2.315 15.467 1.00 0.00 C ATOM 962 NE ARG A 67 5.518 -1.153 16.161 1.00 0.00 N ATOM 963 CZ ARG A 67 5.695 -1.099 17.476 1.00 0.00 C ATOM 964 NH1 ARG A 67 5.367 -2.134 18.236 1.00 0.00 N ATOM 965 NH2 ARG A 67 6.201 -0.006 18.034 1.00 0.00 N ATOM 0 H ARG A 67 4.742 -3.749 11.926 1.00 0.00 H new ATOM 0 HA ARG A 67 5.456 -1.078 11.464 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.569 -3.088 13.462 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.749 -1.348 13.568 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.335 -1.063 13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.065 -2.774 13.574 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.013 -2.587 15.916 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.636 -3.166 15.599 1.00 0.00 H new ATOM 0 HE ARG A 67 5.780 -0.339 15.605 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.977 -2.975 17.811 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.504 -2.089 19.246 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.454 0.793 17.453 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.337 0.035 19.044 1.00 0.00 H new ATOM 979 N ALA A 68 7.746 -3.291 10.714 1.00 0.00 N ATOM 980 CA ALA A 68 9.039 -3.477 10.067 1.00 0.00 C ATOM 981 C ALA A 68 8.960 -3.148 8.580 1.00 0.00 C ATOM 982 O ALA A 68 9.934 -2.687 7.983 1.00 0.00 O ATOM 983 CB ALA A 68 9.531 -4.902 10.269 1.00 0.00 C ATOM 0 H ALA A 68 7.236 -4.156 10.893 1.00 0.00 H new ATOM 0 HA ALA A 68 9.750 -2.791 10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.497 -5.026 9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.635 -5.103 11.335 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.814 -5.599 9.836 1.00 0.00 H new ATOM 989 N LEU A 69 7.797 -3.389 7.986 1.00 0.00 N ATOM 990 CA LEU A 69 7.591 -3.119 6.568 1.00 0.00 C ATOM 991 C LEU A 69 7.618 -1.619 6.289 1.00 0.00 C ATOM 992 O LEU A 69 8.419 -1.143 5.485 1.00 0.00 O ATOM 993 CB LEU A 69 6.260 -3.711 6.103 1.00 0.00 C ATOM 994 CG LEU A 69 5.566 -2.983 4.952 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.361 -3.140 3.665 1.00 0.00 C ATOM 996 CD2 LEU A 69 4.146 -3.501 4.771 1.00 0.00 C ATOM 0 H LEU A 69 6.982 -3.771 8.465 1.00 0.00 H new ATOM 0 HA LEU A 69 8.404 -3.588 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.431 -4.745 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.579 -3.735 6.954 1.00 0.00 H new ATOM 0 HG LEU A 69 5.515 -1.922 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.852 -2.615 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.358 -2.720 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.444 -4.198 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.668 -2.971 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.173 -4.568 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.579 -3.335 5.687 1.00 0.00 H new ATOM 1008 N GLN A 70 6.740 -0.882 6.961 1.00 0.00 N ATOM 1009 CA GLN A 70 6.664 0.564 6.786 1.00 0.00 C ATOM 1010 C GLN A 70 8.048 1.197 6.892 1.00 0.00 C ATOM 1011 O GLN A 70 8.272 2.303 6.402 1.00 0.00 O ATOM 1012 CB GLN A 70 5.728 1.177 7.829 1.00 0.00 C ATOM 1013 CG GLN A 70 4.259 1.104 7.445 1.00 0.00 C ATOM 1014 CD GLN A 70 3.339 1.515 8.578 1.00 0.00 C ATOM 1015 OE1 GLN A 70 2.469 0.750 8.995 1.00 0.00 O ATOM 1016 NE2 GLN A 70 3.527 2.729 9.082 1.00 0.00 N ATOM 0 H GLN A 70 6.072 -1.262 7.631 1.00 0.00 H new ATOM 0 HA GLN A 70 6.267 0.765 5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.872 0.665 8.780 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.003 2.220 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.080 1.749 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.018 0.087 7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.260 3.330 8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.938 3.061 9.846 1.00 0.00 H new ATOM 1025 N GLU A 71 8.970 0.489 7.536 1.00 0.00 N ATOM 1026 CA GLU A 71 10.331 0.984 7.706 1.00 0.00 C ATOM 1027 C GLU A 71 11.195 0.628 6.500 1.00 0.00 C ATOM 1028 O GLU A 71 12.114 1.365 6.141 1.00 0.00 O ATOM 1029 CB GLU A 71 10.951 0.406 8.980 1.00 0.00 C ATOM 1030 CG GLU A 71 10.706 1.256 10.216 1.00 0.00 C ATOM 1031 CD GLU A 71 11.610 0.877 11.373 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.734 0.397 11.115 1.00 0.00 O ATOM 1033 OE2 GLU A 71 11.193 1.059 12.536 1.00 0.00 O ATOM 0 H GLU A 71 8.800 -0.428 7.948 1.00 0.00 H new ATOM 0 HA GLU A 71 10.287 2.070 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.547 -0.592 9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.025 0.295 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.861 2.306 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.665 1.152 10.524 1.00 0.00 H new ATOM 1040 N LEU A 72 10.894 -0.507 5.879 1.00 0.00 N ATOM 1041 CA LEU A 72 11.643 -0.963 4.713 1.00 0.00 C ATOM 1042 C LEU A 72 11.529 0.037 3.567 1.00 0.00 C ATOM 1043 O LEU A 72 12.499 0.290 2.851 1.00 0.00 O ATOM 1044 CB LEU A 72 11.135 -2.334 4.260 1.00 0.00 C ATOM 1045 CG LEU A 72 10.012 -2.324 3.223 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.552 -1.937 1.855 1.00 0.00 C ATOM 1047 CD2 LEU A 72 9.330 -3.683 3.164 1.00 0.00 C ATOM 0 H LEU A 72 10.137 -1.128 6.163 1.00 0.00 H new ATOM 0 HA LEU A 72 12.692 -1.046 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.976 -2.894 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.787 -2.879 5.138 1.00 0.00 H new ATOM 0 HG LEU A 72 9.273 -1.581 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.738 -1.935 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.994 -0.942 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.311 -2.656 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.533 -3.658 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.060 -4.445 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.908 -3.921 4.140 1.00 0.00 H new ATOM 1059 N LEU A 73 10.340 0.606 3.401 1.00 0.00 N ATOM 1060 CA LEU A 73 10.099 1.582 2.344 1.00 0.00 C ATOM 1061 C LEU A 73 10.900 2.857 2.587 1.00 0.00 C ATOM 1062 O LEU A 73 11.442 3.449 1.654 1.00 0.00 O ATOM 1063 CB LEU A 73 8.608 1.911 2.257 1.00 0.00 C ATOM 1064 CG LEU A 73 7.702 0.792 1.743 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.313 0.908 2.351 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.625 0.824 0.223 1.00 0.00 C ATOM 0 H LEU A 73 9.528 0.408 3.985 1.00 0.00 H new ATOM 0 HA LEU A 73 10.424 1.146 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.263 2.204 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.485 2.778 1.608 1.00 0.00 H new ATOM 0 HG LEU A 73 8.130 -0.164 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.682 0.103 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.384 0.835 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.876 1.869 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.976 0.021 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.221 1.783 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.623 0.691 -0.195 1.00 0.00 H new ATOM 1078 N ARG A 74 10.973 3.272 3.847 1.00 0.00 N ATOM 1079 CA ARG A 74 11.709 4.476 4.214 1.00 0.00 C ATOM 1080 C ARG A 74 13.149 4.407 3.713 1.00 0.00 C ATOM 1081 O ARG A 74 13.565 5.208 2.877 1.00 0.00 O ATOM 1082 CB ARG A 74 11.694 4.667 5.731 1.00 0.00 C ATOM 1083 CG ARG A 74 12.563 5.819 6.209 1.00 0.00 C ATOM 1084 CD ARG A 74 12.987 5.634 7.658 1.00 0.00 C ATOM 1085 NE ARG A 74 14.078 6.531 8.028 1.00 0.00 N ATOM 1086 CZ ARG A 74 15.353 6.297 7.738 1.00 0.00 C ATOM 1087 NH1 ARG A 74 15.695 5.200 7.077 1.00 0.00 N ATOM 1088 NH2 ARG A 74 16.289 7.162 8.109 1.00 0.00 N ATOM 0 H ARG A 74 10.531 2.792 4.631 1.00 0.00 H new ATOM 0 HA ARG A 74 11.219 5.328 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.668 4.838 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.031 3.747 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.448 5.895 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.016 6.756 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.133 5.813 8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.298 4.601 7.816 1.00 0.00 H new ATOM 0 HE ARG A 74 13.848 7.384 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.978 4.533 6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.675 5.023 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.030 8.007 8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.268 6.981 7.886 1.00 0.00 H new ATOM 1102 N ASN A 75 13.904 3.444 4.231 1.00 0.00 N ATOM 1103 CA ASN A 75 15.297 3.270 3.837 1.00 0.00 C ATOM 1104 C ASN A 75 15.402 2.869 2.369 1.00 0.00 C ATOM 1105 O ASN A 75 16.371 3.208 1.690 1.00 0.00 O ATOM 1106 CB ASN A 75 15.969 2.213 4.716 1.00 0.00 C ATOM 1107 CG ASN A 75 16.009 2.616 6.177 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.020 3.119 6.666 1.00 0.00 O ATOM 1109 ND2 ASN A 75 14.906 2.394 6.882 1.00 0.00 N ATOM 0 H ASN A 75 13.575 2.772 4.924 1.00 0.00 H new ATOM 0 HA ASN A 75 15.808 4.223 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.434 1.269 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.985 2.042 4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.874 2.643 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.091 1.975 6.435 1.00 0.00 H new ATOM 1116 N ALA A 76 14.398 2.145 1.886 1.00 0.00 N ATOM 1117 CA ALA A 76 14.375 1.700 0.498 1.00 0.00 C ATOM 1118 C ALA A 76 14.641 2.860 -0.455 1.00 0.00 C ATOM 1119 O ALA A 76 13.843 3.792 -0.551 1.00 0.00 O ATOM 1120 CB ALA A 76 13.041 1.044 0.176 1.00 0.00 C ATOM 0 H ALA A 76 13.589 1.854 2.436 1.00 0.00 H new ATOM 0 HA ALA A 76 15.169 0.966 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.038 0.717 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.892 0.183 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.236 1.761 0.333 1.00 0.00 H new ATOM 1126 N SER A 77 15.767 2.796 -1.158 1.00 0.00 N ATOM 1127 CA SER A 77 16.140 3.845 -2.100 1.00 0.00 C ATOM 1128 C SER A 77 16.091 3.328 -3.535 1.00 0.00 C ATOM 1129 O SER A 77 16.390 2.163 -3.798 1.00 0.00 O ATOM 1130 CB SER A 77 17.542 4.370 -1.783 1.00 0.00 C ATOM 1131 OG SER A 77 17.799 5.583 -2.469 1.00 0.00 O ATOM 0 H SER A 77 16.437 2.029 -1.093 1.00 0.00 H new ATOM 0 HA SER A 77 15.423 4.660 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 77 17.640 4.528 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.285 3.624 -2.065 1.00 0.00 H new ATOM 0 HG SER A 77 18.747 5.816 -2.378 1.00 0.00 H new ATOM 1137 N GLY A 78 15.712 4.204 -4.461 1.00 0.00 N ATOM 1138 CA GLY A 78 15.630 3.819 -5.857 1.00 0.00 C ATOM 1139 C GLY A 78 14.242 3.353 -6.250 1.00 0.00 C ATOM 1140 O GLY A 78 13.293 3.487 -5.477 1.00 0.00 O ATOM 0 H GLY A 78 15.460 5.174 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.916 4.665 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.347 3.022 -6.053 1.00 0.00 H new ATOM 1144 N SER A 79 14.122 2.805 -7.455 1.00 0.00 N ATOM 1145 CA SER A 79 12.839 2.322 -7.951 1.00 0.00 C ATOM 1146 C SER A 79 12.340 1.148 -7.114 1.00 0.00 C ATOM 1147 O SER A 79 12.867 0.039 -7.203 1.00 0.00 O ATOM 1148 CB SER A 79 12.959 1.904 -9.417 1.00 0.00 C ATOM 1149 OG SER A 79 12.690 2.993 -10.283 1.00 0.00 O ATOM 0 H SER A 79 14.898 2.684 -8.106 1.00 0.00 H new ATOM 0 HA SER A 79 12.117 3.135 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.962 1.523 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.264 1.091 -9.624 1.00 0.00 H new ATOM 0 HG SER A 79 12.775 2.699 -11.214 1.00 0.00 H new ATOM 1155 N VAL A 80 11.318 1.400 -6.301 1.00 0.00 N ATOM 1156 CA VAL A 80 10.746 0.365 -5.449 1.00 0.00 C ATOM 1157 C VAL A 80 9.465 -0.198 -6.054 1.00 0.00 C ATOM 1158 O VAL A 80 8.634 0.545 -6.577 1.00 0.00 O ATOM 1159 CB VAL A 80 10.441 0.905 -4.039 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.761 -0.162 -3.194 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.716 1.394 -3.369 1.00 0.00 C ATOM 0 H VAL A 80 10.870 2.312 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 80 11.488 -0.430 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 80 9.759 1.750 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.553 0.238 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.826 -0.460 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.416 -1.029 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.482 1.772 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.423 0.569 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.158 2.192 -3.966 1.00 0.00 H new ATOM 1171 N ILE A 81 9.312 -1.516 -5.978 1.00 0.00 N ATOM 1172 CA ILE A 81 8.131 -2.179 -6.517 1.00 0.00 C ATOM 1173 C ILE A 81 7.293 -2.800 -5.404 1.00 0.00 C ATOM 1174 O ILE A 81 7.830 -3.360 -4.447 1.00 0.00 O ATOM 1175 CB ILE A 81 8.513 -3.275 -7.529 1.00 0.00 C ATOM 1176 CG1 ILE A 81 9.099 -2.648 -8.796 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.301 -4.130 -7.867 1.00 0.00 C ATOM 1178 CD1 ILE A 81 10.307 -1.776 -8.535 1.00 0.00 C ATOM 0 H ILE A 81 9.991 -2.145 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 81 7.545 -1.414 -7.026 1.00 0.00 H new ATOM 0 HB ILE A 81 9.271 -3.916 -7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.377 -3.442 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.329 -2.052 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.587 -4.900 -8.583 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.924 -4.601 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.523 -3.502 -8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.669 -1.365 -9.477 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.030 -0.961 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.094 -2.373 -8.073 1.00 0.00 H new ATOM 1190 N LEU A 82 5.976 -2.700 -5.537 1.00 0.00 N ATOM 1191 CA LEU A 82 5.062 -3.254 -4.543 1.00 0.00 C ATOM 1192 C LEU A 82 4.023 -4.155 -5.201 1.00 0.00 C ATOM 1193 O LEU A 82 3.199 -3.696 -5.992 1.00 0.00 O ATOM 1194 CB LEU A 82 4.366 -2.128 -3.778 1.00 0.00 C ATOM 1195 CG LEU A 82 5.274 -1.024 -3.234 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.445 0.109 -2.649 1.00 0.00 C ATOM 1197 CD2 LEU A 82 6.228 -1.584 -2.190 1.00 0.00 C ATOM 0 H LEU A 82 5.516 -2.241 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 82 5.645 -3.854 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.627 -1.671 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.821 -2.567 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 82 5.864 -0.626 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.108 0.885 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.804 0.529 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.828 -0.274 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.866 -0.784 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.656 -2.010 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.846 -2.360 -2.641 1.00 0.00 H new ATOM 1209 N LYS A 83 4.066 -5.441 -4.868 1.00 0.00 N ATOM 1210 CA LYS A 83 3.127 -6.408 -5.424 1.00 0.00 C ATOM 1211 C LYS A 83 1.840 -6.449 -4.605 1.00 0.00 C ATOM 1212 O LYS A 83 1.838 -6.893 -3.457 1.00 0.00 O ATOM 1213 CB LYS A 83 3.761 -7.800 -5.466 1.00 0.00 C ATOM 1214 CG LYS A 83 2.831 -8.876 -5.999 1.00 0.00 C ATOM 1215 CD LYS A 83 3.580 -10.164 -6.295 1.00 0.00 C ATOM 1216 CE LYS A 83 2.750 -11.108 -7.151 1.00 0.00 C ATOM 1217 NZ LYS A 83 3.162 -12.528 -6.970 1.00 0.00 N ATOM 0 H LYS A 83 4.742 -5.838 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 83 2.882 -6.096 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.655 -7.764 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.082 -8.074 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.044 -9.071 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.344 -8.520 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.514 -9.933 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.843 -10.656 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.696 -11.000 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.852 -10.831 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.910 -13.073 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.190 -12.575 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.674 -12.929 -6.144 1.00 0.00 H new ATOM 1231 N ILE A 84 0.749 -5.984 -5.203 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.544 -5.970 -4.529 1.00 0.00 C ATOM 1233 C ILE A 84 -1.423 -7.123 -5.003 1.00 0.00 C ATOM 1234 O ILE A 84 -1.184 -7.706 -6.061 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.287 -4.642 -4.765 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.298 -3.476 -4.791 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.340 -4.426 -3.688 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.467 -3.304 -3.498 1.00 0.00 C ATOM 0 H ILE A 84 0.734 -5.612 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.346 -6.082 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.788 -4.690 -5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.410 -3.629 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.840 -2.555 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.857 -3.483 -3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.059 -5.245 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.859 -4.395 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.149 -2.459 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.233 -3.119 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.037 -4.210 -3.289 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.441 -7.445 -4.213 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.359 -8.528 -4.552 1.00 0.00 C ATOM 1252 C LEU A 85 -4.744 -8.270 -3.969 1.00 0.00 C ATOM 1253 O LEU A 85 -4.896 -8.084 -2.762 1.00 0.00 O ATOM 1254 CB LEU A 85 -2.816 -9.862 -4.037 1.00 0.00 C ATOM 1255 CG LEU A 85 -1.940 -10.651 -5.010 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.491 -10.201 -4.910 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.056 -12.145 -4.742 1.00 0.00 C ATOM 0 H LEU A 85 -2.652 -6.973 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.445 -8.573 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.239 -9.671 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.660 -10.489 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.290 -10.456 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.117 -10.774 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.422 -9.141 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.128 -10.365 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.426 -12.691 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.733 -12.358 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.093 -12.458 -4.867 1.00 0.00 H new ATOM 1269 N SER A 86 -5.753 -8.263 -4.835 1.00 0.00 N ATOM 1270 CA SER A 86 -7.127 -8.026 -4.406 1.00 0.00 C ATOM 1271 C SER A 86 -7.461 -8.857 -3.171 1.00 0.00 C ATOM 1272 O SER A 86 -6.987 -9.982 -3.019 1.00 0.00 O ATOM 1273 CB SER A 86 -8.101 -8.359 -5.537 1.00 0.00 C ATOM 1274 OG SER A 86 -9.445 -8.228 -5.108 1.00 0.00 O ATOM 0 H SER A 86 -5.645 -8.419 -5.837 1.00 0.00 H new ATOM 0 HA SER A 86 -7.225 -6.971 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.920 -7.697 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.925 -9.377 -5.885 1.00 0.00 H new ATOM 0 HG SER A 86 -10.048 -8.445 -5.850 1.00 0.00 H new ATOM 1280 N GLY A 87 -8.281 -8.293 -2.290 1.00 0.00 N ATOM 1281 CA GLY A 87 -8.666 -8.994 -1.079 1.00 0.00 C ATOM 1282 C GLY A 87 -10.163 -9.208 -0.983 1.00 0.00 C ATOM 1283 O GLY A 87 -10.931 -8.762 -1.836 1.00 0.00 O ATOM 0 H GLY A 87 -8.686 -7.363 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.161 -9.960 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.327 -8.427 -0.212 1.00 0.00 H new ATOM 1287 N PRO A 88 -10.599 -9.909 0.075 1.00 0.00 N ATOM 1288 CA PRO A 88 -12.017 -10.198 0.303 1.00 0.00 C ATOM 1289 C PRO A 88 -12.811 -8.951 0.678 1.00 0.00 C ATOM 1290 O PRO A 88 -12.389 -8.169 1.529 1.00 0.00 O ATOM 1291 CB PRO A 88 -11.994 -11.188 1.470 1.00 0.00 C ATOM 1292 CG PRO A 88 -10.720 -10.899 2.186 1.00 0.00 C ATOM 1293 CD PRO A 88 -9.739 -10.470 1.130 1.00 0.00 C ATOM 0 HA PRO A 88 -12.503 -10.585 -0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.856 -11.050 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.024 -12.218 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.860 -10.115 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.362 -11.781 2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.036 -9.730 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.150 -11.310 0.764 1.00 0.00 H new ATOM 1301 N SER A 89 -13.961 -8.773 0.037 1.00 0.00 N ATOM 1302 CA SER A 89 -14.812 -7.618 0.301 1.00 0.00 C ATOM 1303 C SER A 89 -15.642 -7.833 1.564 1.00 0.00 C ATOM 1304 O SER A 89 -15.634 -7.003 2.473 1.00 0.00 O ATOM 1305 CB SER A 89 -15.735 -7.355 -0.890 1.00 0.00 C ATOM 1306 OG SER A 89 -16.534 -8.490 -1.177 1.00 0.00 O ATOM 0 H SER A 89 -14.325 -9.413 -0.669 1.00 0.00 H new ATOM 0 HA SER A 89 -14.169 -6.751 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.376 -6.500 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.139 -7.095 -1.765 1.00 0.00 H new ATOM 0 HG SER A 89 -17.116 -8.296 -1.941 1.00 0.00 H new ATOM 1312 N SER A 90 -16.357 -8.952 1.612 1.00 0.00 N ATOM 1313 CA SER A 90 -17.195 -9.275 2.760 1.00 0.00 C ATOM 1314 C SER A 90 -16.443 -10.160 3.750 1.00 0.00 C ATOM 1315 O SER A 90 -15.527 -10.890 3.375 1.00 0.00 O ATOM 1316 CB SER A 90 -18.475 -9.976 2.303 1.00 0.00 C ATOM 1317 OG SER A 90 -19.306 -10.293 3.407 1.00 0.00 O ATOM 0 H SER A 90 -16.373 -9.650 0.869 1.00 0.00 H new ATOM 0 HA SER A 90 -17.458 -8.343 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 90 -19.017 -9.334 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.221 -10.887 1.762 1.00 0.00 H new ATOM 0 HG SER A 90 -20.118 -10.739 3.088 1.00 0.00 H new ATOM 1323 N GLY A 91 -16.839 -10.088 5.017 1.00 0.00 N ATOM 1324 CA GLY A 91 -16.192 -10.887 6.042 1.00 0.00 C ATOM 1325 C GLY A 91 -15.762 -10.059 7.237 1.00 0.00 C ATOM 1326 O GLY A 91 -15.845 -10.514 8.378 1.00 0.00 O ATOM 0 H GLY A 91 -17.595 -9.491 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.875 -11.670 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.320 -11.383 5.615 1.00 0.00 H new TER 1330 GLY A 91