USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HD1:sc= -0.0058 K(o=0.2,f=-0.45) USER MOD Set 1.2: A 49 TYR OH : rot 152:sc= 0.211 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 15:sc= 1.13 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -69:sc= 1.29 USER MOD Single : A 26 GLN : amide:sc=-0.00966 X(o=-0.0097,f=-0.0097) USER MOD Single : A 28 CYS SG : rot 8:sc= 0.405 USER MOD Single : A 36 ASN : amide:sc= -3.42! C(o=-3.4!,f=-10!) USER MOD Single : A 37 SER OG : rot 180:sc= -1.64! USER MOD Single : A 38 ASN : amide:sc= -2.81! C(o=-2.8!,f=-8.4!) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= 1.55 (180deg=-1.07) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.02 K(o=-2,f=-0.74) USER MOD Single : A 47 SER OG : rot -66:sc= 0.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -4.13! C(o=-4.1!,f=-8!) USER MOD Single : A 52 CYS SG : rot 67:sc= -0.368 USER MOD Single : A 53 ASN : amide:sc= -0.312 K(o=-0.31,f=-2.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.013) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.16) USER MOD Single : A 81 SER OG : rot -120:sc= 0.151 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0983 K(o=-0.098,f=-0.62) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 49:sc= 0.739 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.191 -11.612 4.153 1.00 0.00 N ATOM 2 CA GLY A 1 -26.150 -10.700 4.597 1.00 0.00 C ATOM 3 C GLY A 1 -26.258 -10.434 6.100 1.00 0.00 C ATOM 4 O GLY A 1 -25.671 -11.155 6.905 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.096 -11.776 3.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.099 -12.516 4.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.124 -11.197 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.171 -11.121 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.228 -9.760 4.051 1.00 0.00 H new ATOM 8 N SER A 2 -27.012 -9.396 6.432 1.00 0.00 N ATOM 9 CA SER A 2 -27.204 -9.026 7.824 1.00 0.00 C ATOM 10 C SER A 2 -25.864 -8.638 8.452 1.00 0.00 C ATOM 11 O SER A 2 -24.877 -9.358 8.312 1.00 0.00 O ATOM 12 CB SER A 2 -27.849 -10.167 8.613 1.00 0.00 C ATOM 13 OG SER A 2 -28.773 -9.688 9.586 1.00 0.00 O ATOM 0 H SER A 2 -27.497 -8.800 5.761 1.00 0.00 H new ATOM 0 HA SER A 2 -27.877 -8.169 7.860 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.363 -10.838 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.072 -10.750 9.107 1.00 0.00 H new ATOM 0 HG SER A 2 -29.164 -10.447 10.067 1.00 0.00 H new ATOM 19 N SER A 3 -25.873 -7.499 9.130 1.00 0.00 N ATOM 20 CA SER A 3 -24.670 -7.006 9.780 1.00 0.00 C ATOM 21 C SER A 3 -23.586 -6.732 8.736 1.00 0.00 C ATOM 22 O SER A 3 -23.626 -7.281 7.635 1.00 0.00 O ATOM 23 CB SER A 3 -24.161 -8.001 10.825 1.00 0.00 C ATOM 24 OG SER A 3 -23.859 -7.366 12.064 1.00 0.00 O ATOM 0 H SER A 3 -26.694 -6.904 9.243 1.00 0.00 H new ATOM 0 HA SER A 3 -24.915 -6.076 10.293 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.913 -8.773 10.987 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.269 -8.500 10.446 1.00 0.00 H new ATOM 0 HG SER A 3 -23.539 -8.035 12.705 1.00 0.00 H new ATOM 30 N GLY A 4 -22.643 -5.884 9.117 1.00 0.00 N ATOM 31 CA GLY A 4 -21.550 -5.530 8.228 1.00 0.00 C ATOM 32 C GLY A 4 -20.548 -4.610 8.928 1.00 0.00 C ATOM 33 O GLY A 4 -20.786 -3.410 9.056 1.00 0.00 O ATOM 0 H GLY A 4 -22.613 -5.431 10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.044 -6.434 7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.944 -5.035 7.340 1.00 0.00 H new ATOM 37 N SER A 5 -19.449 -5.208 9.364 1.00 0.00 N ATOM 38 CA SER A 5 -18.410 -4.457 10.049 1.00 0.00 C ATOM 39 C SER A 5 -18.980 -3.807 11.311 1.00 0.00 C ATOM 40 O SER A 5 -20.193 -3.649 11.439 1.00 0.00 O ATOM 41 CB SER A 5 -17.804 -3.393 9.131 1.00 0.00 C ATOM 42 OG SER A 5 -16.799 -3.934 8.278 1.00 0.00 O ATOM 0 H SER A 5 -19.255 -6.204 9.256 1.00 0.00 H new ATOM 0 HA SER A 5 -17.617 -5.149 10.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.592 -2.946 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.375 -2.594 9.736 1.00 0.00 H new ATOM 0 HG SER A 5 -16.438 -3.224 7.707 1.00 0.00 H new ATOM 48 N SER A 6 -18.077 -3.448 12.212 1.00 0.00 N ATOM 49 CA SER A 6 -18.475 -2.818 13.460 1.00 0.00 C ATOM 50 C SER A 6 -17.638 -1.561 13.702 1.00 0.00 C ATOM 51 O SER A 6 -16.513 -1.456 13.214 1.00 0.00 O ATOM 52 CB SER A 6 -18.329 -3.786 14.636 1.00 0.00 C ATOM 53 OG SER A 6 -18.940 -5.046 14.369 1.00 0.00 O ATOM 0 H SER A 6 -17.072 -3.581 12.103 1.00 0.00 H new ATOM 0 HA SER A 6 -19.526 -2.538 13.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.271 -3.935 14.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.779 -3.346 15.526 1.00 0.00 H new ATOM 0 HG SER A 6 -18.824 -5.636 15.143 1.00 0.00 H new ATOM 59 N GLY A 7 -18.219 -0.637 14.454 1.00 0.00 N ATOM 60 CA GLY A 7 -17.541 0.609 14.766 1.00 0.00 C ATOM 61 C GLY A 7 -17.328 1.448 13.504 1.00 0.00 C ATOM 62 O GLY A 7 -16.193 1.761 13.146 1.00 0.00 O ATOM 0 H GLY A 7 -19.152 -0.727 14.856 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.128 1.176 15.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.579 0.397 15.233 1.00 0.00 H new ATOM 66 N VAL A 8 -18.437 1.789 12.865 1.00 0.00 N ATOM 67 CA VAL A 8 -18.386 2.586 11.651 1.00 0.00 C ATOM 68 C VAL A 8 -19.017 3.954 11.917 1.00 0.00 C ATOM 69 O VAL A 8 -20.069 4.044 12.549 1.00 0.00 O ATOM 70 CB VAL A 8 -19.057 1.832 10.501 1.00 0.00 C ATOM 71 CG1 VAL A 8 -19.180 2.719 9.261 1.00 0.00 C ATOM 72 CG2 VAL A 8 -18.303 0.540 10.179 1.00 0.00 C ATOM 0 H VAL A 8 -19.376 1.528 13.165 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.352 2.757 11.350 1.00 0.00 H new ATOM 0 HB VAL A 8 -20.064 1.562 10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -19.660 2.159 8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -19.780 3.597 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.187 3.034 8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.801 0.023 9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.279 0.778 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.291 -0.103 11.059 1.00 0.00 H new ATOM 82 N SER A 9 -18.348 4.985 11.422 1.00 0.00 N ATOM 83 CA SER A 9 -18.830 6.345 11.599 1.00 0.00 C ATOM 84 C SER A 9 -18.818 6.716 13.083 1.00 0.00 C ATOM 85 O SER A 9 -19.826 6.568 13.772 1.00 0.00 O ATOM 86 CB SER A 9 -20.238 6.509 11.023 1.00 0.00 C ATOM 87 OG SER A 9 -20.362 7.698 10.248 1.00 0.00 O ATOM 0 H SER A 9 -17.476 4.906 10.898 1.00 0.00 H new ATOM 0 HA SER A 9 -18.164 7.017 11.058 1.00 0.00 H new ATOM 0 HB2 SER A 9 -20.479 5.645 10.403 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.963 6.529 11.837 1.00 0.00 H new ATOM 0 HG SER A 9 -21.274 7.766 9.896 1.00 0.00 H new ATOM 93 N GLY A 10 -17.665 7.190 13.532 1.00 0.00 N ATOM 94 CA GLY A 10 -17.508 7.584 14.922 1.00 0.00 C ATOM 95 C GLY A 10 -16.195 8.341 15.132 1.00 0.00 C ATOM 96 O GLY A 10 -16.179 9.571 15.143 1.00 0.00 O ATOM 0 H GLY A 10 -16.831 7.310 12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.346 8.212 15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.528 6.700 15.559 1.00 0.00 H new ATOM 100 N ARG A 11 -15.126 7.575 15.295 1.00 0.00 N ATOM 101 CA ARG A 11 -13.812 8.158 15.504 1.00 0.00 C ATOM 102 C ARG A 11 -12.764 7.420 14.669 1.00 0.00 C ATOM 103 O ARG A 11 -13.011 6.311 14.197 1.00 0.00 O ATOM 104 CB ARG A 11 -13.412 8.099 16.980 1.00 0.00 C ATOM 105 CG ARG A 11 -13.626 6.696 17.550 1.00 0.00 C ATOM 106 CD ARG A 11 -14.936 6.617 18.338 1.00 0.00 C ATOM 107 NE ARG A 11 -15.036 5.310 19.024 1.00 0.00 N ATOM 108 CZ ARG A 11 -15.276 4.150 18.398 1.00 0.00 C ATOM 109 NH1 ARG A 11 -15.440 4.127 17.068 1.00 0.00 N ATOM 110 NH2 ARG A 11 -15.350 3.012 19.101 1.00 0.00 N ATOM 0 H ARG A 11 -15.143 6.555 15.286 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.859 9.202 15.193 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.365 8.384 17.089 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.999 8.820 17.549 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.641 5.969 16.738 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.791 6.432 18.199 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.980 7.425 19.069 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.783 6.750 17.665 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.915 5.291 20.037 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.382 4.993 16.532 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.623 3.244 16.592 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.224 3.029 20.113 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.533 2.129 18.624 1.00 0.00 H new ATOM 124 N GLU A 12 -11.617 8.065 14.513 1.00 0.00 N ATOM 125 CA GLU A 12 -10.531 7.483 13.743 1.00 0.00 C ATOM 126 C GLU A 12 -9.553 6.758 14.669 1.00 0.00 C ATOM 127 O GLU A 12 -9.413 7.120 15.836 1.00 0.00 O ATOM 128 CB GLU A 12 -9.813 8.550 12.914 1.00 0.00 C ATOM 129 CG GLU A 12 -9.115 9.568 13.818 1.00 0.00 C ATOM 130 CD GLU A 12 -9.927 10.861 13.917 1.00 0.00 C ATOM 131 OE1 GLU A 12 -9.921 11.613 12.918 1.00 0.00 O ATOM 132 OE2 GLU A 12 -10.535 11.069 14.989 1.00 0.00 O ATOM 0 H GLU A 12 -11.416 8.984 14.907 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.953 6.755 13.050 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.081 8.076 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.530 9.060 12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.978 9.143 14.812 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.122 9.787 13.426 1.00 0.00 H new ATOM 139 N PRO A 13 -8.883 5.720 14.099 1.00 0.00 N ATOM 140 CA PRO A 13 -7.922 4.942 14.861 1.00 0.00 C ATOM 141 C PRO A 13 -6.619 5.719 15.058 1.00 0.00 C ATOM 142 O PRO A 13 -5.801 5.809 14.144 1.00 0.00 O ATOM 143 CB PRO A 13 -7.734 3.661 14.065 1.00 0.00 C ATOM 144 CG PRO A 13 -8.235 3.964 12.662 1.00 0.00 C ATOM 145 CD PRO A 13 -9.023 5.263 12.720 1.00 0.00 C ATOM 0 HA PRO A 13 -8.267 4.721 15.871 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.686 3.361 14.049 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.294 2.839 14.510 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.398 4.055 11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.864 3.152 12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.628 5.997 12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.069 5.103 12.460 1.00 0.00 H new ATOM 153 N SER A 14 -6.466 6.261 16.257 1.00 0.00 N ATOM 154 CA SER A 14 -5.277 7.029 16.586 1.00 0.00 C ATOM 155 C SER A 14 -4.047 6.118 16.575 1.00 0.00 C ATOM 156 O SER A 14 -3.847 5.329 17.497 1.00 0.00 O ATOM 157 CB SER A 14 -5.421 7.711 17.948 1.00 0.00 C ATOM 158 OG SER A 14 -5.378 6.775 19.021 1.00 0.00 O ATOM 0 H SER A 14 -7.146 6.184 17.013 1.00 0.00 H new ATOM 0 HA SER A 14 -5.152 7.807 15.833 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.623 8.443 18.073 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.363 8.258 17.982 1.00 0.00 H new ATOM 0 HG SER A 14 -5.034 5.918 18.694 1.00 0.00 H new ATOM 164 N SER A 15 -3.256 6.258 15.522 1.00 0.00 N ATOM 165 CA SER A 15 -2.052 5.458 15.379 1.00 0.00 C ATOM 166 C SER A 15 -0.867 6.355 15.015 1.00 0.00 C ATOM 167 O SER A 15 -1.033 7.558 14.819 1.00 0.00 O ATOM 168 CB SER A 15 -2.237 4.368 14.322 1.00 0.00 C ATOM 169 OG SER A 15 -3.605 4.000 14.168 1.00 0.00 O ATOM 0 H SER A 15 -3.425 6.914 14.759 1.00 0.00 H new ATOM 0 HA SER A 15 -1.851 4.971 16.333 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.846 4.719 13.367 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.655 3.490 14.601 1.00 0.00 H new ATOM 0 HG SER A 15 -3.681 3.303 13.483 1.00 0.00 H new ATOM 175 N ARG A 16 0.301 5.736 14.935 1.00 0.00 N ATOM 176 CA ARG A 16 1.513 6.463 14.597 1.00 0.00 C ATOM 177 C ARG A 16 1.793 6.361 13.097 1.00 0.00 C ATOM 178 O ARG A 16 2.152 5.294 12.600 1.00 0.00 O ATOM 179 CB ARG A 16 2.715 5.920 15.372 1.00 0.00 C ATOM 180 CG ARG A 16 3.107 6.866 16.509 1.00 0.00 C ATOM 181 CD ARG A 16 4.554 7.338 16.355 1.00 0.00 C ATOM 182 NE ARG A 16 4.877 8.331 17.404 1.00 0.00 N ATOM 183 CZ ARG A 16 6.106 8.817 17.627 1.00 0.00 C ATOM 184 NH1 ARG A 16 7.135 8.404 16.875 1.00 0.00 N ATOM 185 NH2 ARG A 16 6.305 9.715 18.601 1.00 0.00 N ATOM 0 H ARG A 16 0.434 4.738 15.099 1.00 0.00 H new ATOM 0 HA ARG A 16 1.360 7.507 14.871 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.477 4.937 15.778 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.560 5.789 14.695 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.439 7.727 16.517 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.986 6.359 17.466 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.232 6.488 16.427 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.698 7.779 15.369 1.00 0.00 H new ATOM 0 HE ARG A 16 4.116 8.667 17.995 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.983 7.720 16.134 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.071 8.773 17.044 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.521 10.029 19.173 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.240 10.085 18.771 1.00 0.00 H new ATOM 199 N ILE A 17 1.617 7.484 12.416 1.00 0.00 N ATOM 200 CA ILE A 17 1.846 7.534 10.982 1.00 0.00 C ATOM 201 C ILE A 17 3.352 7.556 10.711 1.00 0.00 C ATOM 202 O ILE A 17 4.125 8.062 11.523 1.00 0.00 O ATOM 203 CB ILE A 17 1.093 8.711 10.360 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.345 8.778 10.879 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.148 8.651 8.832 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.115 7.504 10.526 1.00 0.00 C ATOM 0 H ILE A 17 1.318 8.367 12.831 1.00 0.00 H new ATOM 0 HA ILE A 17 1.448 6.640 10.501 1.00 0.00 H new ATOM 0 HB ILE A 17 1.589 9.633 10.665 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.339 8.916 11.960 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.850 9.643 10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.605 9.499 8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.187 8.688 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.691 7.723 8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.134 7.577 10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.140 7.382 9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.621 6.643 10.977 1.00 0.00 H new ATOM 218 N ILE A 18 3.723 7.000 9.567 1.00 0.00 N ATOM 219 CA ILE A 18 5.122 6.949 9.179 1.00 0.00 C ATOM 220 C ILE A 18 5.260 7.399 7.723 1.00 0.00 C ATOM 221 O ILE A 18 4.284 7.398 6.974 1.00 0.00 O ATOM 222 CB ILE A 18 5.703 5.560 9.451 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.796 4.465 8.886 1.00 0.00 C ATOM 224 CG2 ILE A 18 5.978 5.363 10.943 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.550 3.141 8.754 1.00 0.00 C ATOM 0 H ILE A 18 3.079 6.581 8.896 1.00 0.00 H new ATOM 0 HA ILE A 18 5.710 7.639 9.783 1.00 0.00 H new ATOM 0 HB ILE A 18 6.660 5.484 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.932 4.332 9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.416 4.770 7.911 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.390 4.368 11.109 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.692 6.113 11.284 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.048 5.468 11.501 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.882 2.380 8.350 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.399 3.271 8.083 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.907 2.826 9.735 1.00 0.00 H new ATOM 237 N ARG A 19 6.480 7.773 7.366 1.00 0.00 N ATOM 238 CA ARG A 19 6.758 8.225 6.013 1.00 0.00 C ATOM 239 C ARG A 19 7.381 7.094 5.193 1.00 0.00 C ATOM 240 O ARG A 19 8.564 6.792 5.345 1.00 0.00 O ATOM 241 CB ARG A 19 7.706 9.425 6.017 1.00 0.00 C ATOM 242 CG ARG A 19 7.831 10.031 4.618 1.00 0.00 C ATOM 243 CD ARG A 19 8.660 11.316 4.648 1.00 0.00 C ATOM 244 NE ARG A 19 10.102 10.988 4.693 1.00 0.00 N ATOM 245 CZ ARG A 19 10.780 10.737 5.821 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.152 10.775 7.004 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.088 10.448 5.767 1.00 0.00 N ATOM 0 H ARG A 19 7.287 7.772 7.990 1.00 0.00 H new ATOM 0 HA ARG A 19 5.812 8.526 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.339 10.180 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.689 9.115 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.296 9.310 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.839 10.244 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.443 11.919 3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.387 11.914 5.518 1.00 0.00 H new ATOM 0 HE ARG A 19 10.612 10.951 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.157 10.995 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.669 10.584 7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.567 10.419 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.604 10.257 6.626 1.00 0.00 H new ATOM 261 N VAL A 20 6.558 6.499 4.343 1.00 0.00 N ATOM 262 CA VAL A 20 7.014 5.407 3.499 1.00 0.00 C ATOM 263 C VAL A 20 7.102 5.891 2.050 1.00 0.00 C ATOM 264 O VAL A 20 6.108 6.335 1.478 1.00 0.00 O ATOM 265 CB VAL A 20 6.096 4.195 3.670 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.616 2.997 2.872 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.929 3.838 5.148 1.00 0.00 C ATOM 0 H VAL A 20 5.578 6.752 4.220 1.00 0.00 H new ATOM 0 HA VAL A 20 8.012 5.086 3.796 1.00 0.00 H new ATOM 0 HB VAL A 20 5.115 4.460 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.946 2.149 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.660 3.256 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.614 2.732 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.272 2.973 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.903 3.602 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.493 4.684 5.680 1.00 0.00 H new ATOM 277 N SER A 21 8.302 5.789 1.498 1.00 0.00 N ATOM 278 CA SER A 21 8.533 6.211 0.127 1.00 0.00 C ATOM 279 C SER A 21 8.055 5.128 -0.842 1.00 0.00 C ATOM 280 O SER A 21 8.674 4.070 -0.950 1.00 0.00 O ATOM 281 CB SER A 21 10.012 6.521 -0.112 1.00 0.00 C ATOM 282 OG SER A 21 10.493 7.538 0.762 1.00 0.00 O ATOM 0 H SER A 21 9.125 5.420 1.975 1.00 0.00 H new ATOM 0 HA SER A 21 7.965 7.124 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.600 5.614 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.154 6.835 -1.146 1.00 0.00 H new ATOM 0 HG SER A 21 11.441 7.705 0.579 1.00 0.00 H new ATOM 288 N VAL A 22 6.957 5.428 -1.520 1.00 0.00 N ATOM 289 CA VAL A 22 6.389 4.493 -2.476 1.00 0.00 C ATOM 290 C VAL A 22 7.044 4.705 -3.842 1.00 0.00 C ATOM 291 O VAL A 22 6.960 5.791 -4.413 1.00 0.00 O ATOM 292 CB VAL A 22 4.867 4.643 -2.513 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.284 4.009 -3.778 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.226 4.050 -1.257 1.00 0.00 C ATOM 0 H VAL A 22 6.446 6.306 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 22 6.594 3.466 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 22 4.636 5.708 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.201 4.130 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.705 4.498 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.531 2.948 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.144 4.170 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.471 2.990 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.606 4.567 -0.376 1.00 0.00 H new ATOM 304 N LYS A 23 7.682 3.650 -4.327 1.00 0.00 N ATOM 305 CA LYS A 23 8.352 3.706 -5.615 1.00 0.00 C ATOM 306 C LYS A 23 7.443 3.096 -6.685 1.00 0.00 C ATOM 307 O LYS A 23 7.113 1.913 -6.622 1.00 0.00 O ATOM 308 CB LYS A 23 9.731 3.049 -5.532 1.00 0.00 C ATOM 309 CG LYS A 23 10.775 3.867 -6.296 1.00 0.00 C ATOM 310 CD LYS A 23 11.618 4.711 -5.337 1.00 0.00 C ATOM 311 CE LYS A 23 13.039 4.156 -5.224 1.00 0.00 C ATOM 312 NZ LYS A 23 13.985 4.992 -5.995 1.00 0.00 N ATOM 0 H LYS A 23 7.749 2.751 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 23 8.535 4.741 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.031 2.954 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.683 2.040 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.423 3.198 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.278 4.516 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.653 5.742 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.150 4.726 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.341 4.125 -4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.066 3.131 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.945 4.601 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.705 5.000 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.972 5.963 -5.624 1.00 0.00 H new ATOM 326 N THR A 24 7.064 3.932 -7.641 1.00 0.00 N ATOM 327 CA THR A 24 6.201 3.489 -8.722 1.00 0.00 C ATOM 328 C THR A 24 6.954 3.519 -10.053 1.00 0.00 C ATOM 329 O THR A 24 7.968 4.204 -10.182 1.00 0.00 O ATOM 330 CB THR A 24 4.947 4.366 -8.715 1.00 0.00 C ATOM 331 OG1 THR A 24 5.359 5.567 -9.363 1.00 0.00 O ATOM 332 CG2 THR A 24 4.557 4.818 -7.306 1.00 0.00 C ATOM 0 H THR A 24 7.339 4.913 -7.689 1.00 0.00 H new ATOM 0 HA THR A 24 5.893 2.453 -8.582 1.00 0.00 H new ATOM 0 HB THR A 24 4.118 3.818 -9.163 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.986 6.051 -8.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.661 5.437 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.359 3.944 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.373 5.395 -6.870 1.00 0.00 H new ATOM 340 N PRO A 25 6.417 2.746 -11.035 1.00 0.00 N ATOM 341 CA PRO A 25 7.028 2.677 -12.351 1.00 0.00 C ATOM 342 C PRO A 25 6.749 3.950 -13.153 1.00 0.00 C ATOM 343 O PRO A 25 6.345 3.882 -14.313 1.00 0.00 O ATOM 344 CB PRO A 25 6.440 1.431 -12.993 1.00 0.00 C ATOM 345 CG PRO A 25 5.183 1.109 -12.203 1.00 0.00 C ATOM 346 CD PRO A 25 5.219 1.921 -10.918 1.00 0.00 C ATOM 0 HA PRO A 25 8.115 2.611 -12.307 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.207 1.606 -14.043 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.147 0.602 -12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.294 1.353 -12.784 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.135 0.043 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.324 2.535 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.268 1.274 -10.042 1.00 0.00 H new ATOM 354 N GLN A 26 6.976 5.082 -12.502 1.00 0.00 N ATOM 355 CA GLN A 26 6.754 6.369 -13.140 1.00 0.00 C ATOM 356 C GLN A 26 7.479 7.475 -12.370 1.00 0.00 C ATOM 357 O GLN A 26 8.119 8.337 -12.970 1.00 0.00 O ATOM 358 CB GLN A 26 5.259 6.672 -13.258 1.00 0.00 C ATOM 359 CG GLN A 26 4.762 6.433 -14.685 1.00 0.00 C ATOM 360 CD GLN A 26 5.051 7.642 -15.576 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.523 8.726 -15.387 1.00 0.00 O ATOM 362 NE2 GLN A 26 5.917 7.398 -16.555 1.00 0.00 N ATOM 0 H GLN A 26 7.311 5.135 -11.540 1.00 0.00 H new ATOM 0 HA GLN A 26 7.163 6.328 -14.149 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.701 6.043 -12.565 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.070 7.707 -12.972 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.245 5.548 -15.099 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.690 6.234 -14.672 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.322 6.468 -16.657 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.176 8.141 -17.204 1.00 0.00 H new ATOM 371 N ASP A 27 7.354 7.414 -11.052 1.00 0.00 N ATOM 372 CA ASP A 27 7.989 8.400 -10.194 1.00 0.00 C ATOM 373 C ASP A 27 7.892 7.940 -8.738 1.00 0.00 C ATOM 374 O ASP A 27 7.310 6.895 -8.451 1.00 0.00 O ATOM 375 CB ASP A 27 7.295 9.758 -10.308 1.00 0.00 C ATOM 376 CG ASP A 27 8.237 10.961 -10.389 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.964 11.045 -11.403 1.00 0.00 O ATOM 378 OD2 ASP A 27 8.209 11.769 -9.436 1.00 0.00 O ATOM 0 H ASP A 27 6.823 6.697 -10.558 1.00 0.00 H new ATOM 0 HA ASP A 27 9.029 8.499 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.661 9.752 -11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.638 9.887 -9.448 1.00 0.00 H new ATOM 383 N CYS A 28 8.470 8.743 -7.857 1.00 0.00 N ATOM 384 CA CYS A 28 8.456 8.432 -6.438 1.00 0.00 C ATOM 385 C CYS A 28 7.328 9.231 -5.782 1.00 0.00 C ATOM 386 O CYS A 28 7.049 10.361 -6.182 1.00 0.00 O ATOM 387 CB CYS A 28 9.810 8.713 -5.784 1.00 0.00 C ATOM 388 SG CYS A 28 10.018 10.512 -5.524 1.00 0.00 S ATOM 0 H CYS A 28 8.951 9.609 -8.099 1.00 0.00 H new ATOM 0 HA CYS A 28 8.274 7.366 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.878 8.189 -4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.614 8.333 -6.415 1.00 0.00 H new ATOM 0 HG CYS A 28 8.905 11.122 -5.803 1.00 0.00 H new ATOM 394 N HIS A 29 6.710 8.614 -4.786 1.00 0.00 N ATOM 395 CA HIS A 29 5.619 9.254 -4.071 1.00 0.00 C ATOM 396 C HIS A 29 5.666 8.851 -2.596 1.00 0.00 C ATOM 397 O HIS A 29 5.545 7.672 -2.266 1.00 0.00 O ATOM 398 CB HIS A 29 4.276 8.934 -4.730 1.00 0.00 C ATOM 399 CG HIS A 29 4.063 9.623 -6.057 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.788 8.933 -7.225 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.086 10.946 -6.388 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.655 9.811 -8.208 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.841 11.058 -7.687 1.00 0.00 N ATOM 0 H HIS A 29 6.944 7.677 -4.457 1.00 0.00 H new ATOM 0 HA HIS A 29 5.733 10.337 -4.120 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.202 7.856 -4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.473 9.220 -4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.272 11.764 -5.708 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.438 9.580 -9.240 1.00 0.00 H new ATOM 0 HE2 HIS A 29 3.799 11.933 -8.210 1.00 0.00 H new ATOM 411 N GLU A 30 5.843 9.853 -1.747 1.00 0.00 N ATOM 412 CA GLU A 30 5.907 9.618 -0.315 1.00 0.00 C ATOM 413 C GLU A 30 4.505 9.663 0.294 1.00 0.00 C ATOM 414 O GLU A 30 3.764 10.623 0.086 1.00 0.00 O ATOM 415 CB GLU A 30 6.833 10.629 0.365 1.00 0.00 C ATOM 416 CG GLU A 30 8.133 9.962 0.820 1.00 0.00 C ATOM 417 CD GLU A 30 8.995 10.935 1.627 1.00 0.00 C ATOM 418 OE1 GLU A 30 8.671 12.142 1.594 1.00 0.00 O ATOM 419 OE2 GLU A 30 9.959 10.450 2.258 1.00 0.00 O ATOM 0 H GLU A 30 5.944 10.829 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 30 6.322 8.624 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.059 11.442 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.327 11.071 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.904 9.085 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.690 9.612 -0.049 1.00 0.00 H new ATOM 426 N PHE A 31 4.182 8.613 1.035 1.00 0.00 N ATOM 427 CA PHE A 31 2.881 8.521 1.676 1.00 0.00 C ATOM 428 C PHE A 31 3.018 8.539 3.200 1.00 0.00 C ATOM 429 O PHE A 31 4.115 8.368 3.730 1.00 0.00 O ATOM 430 CB PHE A 31 2.265 7.188 1.247 1.00 0.00 C ATOM 431 CG PHE A 31 1.788 7.162 -0.206 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.684 7.312 -1.219 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.469 6.988 -0.486 1.00 0.00 C ATOM 434 CE1 PHE A 31 2.242 7.288 -2.568 1.00 0.00 C ATOM 435 CE2 PHE A 31 0.026 6.964 -1.835 1.00 0.00 C ATOM 436 CZ PHE A 31 0.922 7.114 -2.848 1.00 0.00 C ATOM 0 H PHE A 31 4.799 7.819 1.206 1.00 0.00 H new ATOM 0 HA PHE A 31 2.261 9.369 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.000 6.396 1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.422 6.962 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.732 7.449 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.242 6.868 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.953 7.408 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.022 6.827 -2.057 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.585 7.095 -3.874 1.00 0.00 H new ATOM 446 N PHE A 32 1.889 8.747 3.861 1.00 0.00 N ATOM 447 CA PHE A 32 1.870 8.790 5.313 1.00 0.00 C ATOM 448 C PHE A 32 0.641 8.066 5.867 1.00 0.00 C ATOM 449 O PHE A 32 -0.463 8.607 5.850 1.00 0.00 O ATOM 450 CB PHE A 32 1.802 10.264 5.717 1.00 0.00 C ATOM 451 CG PHE A 32 3.156 10.976 5.702 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.955 10.941 6.803 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.562 11.644 4.589 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.212 11.602 6.789 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.819 12.304 4.575 1.00 0.00 C ATOM 456 CZ PHE A 32 5.617 12.269 5.676 1.00 0.00 C ATOM 0 H PHE A 32 0.981 8.888 3.418 1.00 0.00 H new ATOM 0 HA PHE A 32 2.759 8.299 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.122 10.784 5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.376 10.337 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.633 10.411 7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.928 11.672 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.846 11.575 7.663 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.141 12.834 3.691 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.573 12.771 5.666 1.00 0.00 H new ATOM 466 N LEU A 33 0.874 6.852 6.344 1.00 0.00 N ATOM 467 CA LEU A 33 -0.200 6.047 6.901 1.00 0.00 C ATOM 468 C LEU A 33 0.273 5.407 8.207 1.00 0.00 C ATOM 469 O LEU A 33 1.469 5.386 8.495 1.00 0.00 O ATOM 470 CB LEU A 33 -0.704 5.037 5.868 1.00 0.00 C ATOM 471 CG LEU A 33 0.304 3.977 5.419 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.569 4.628 4.855 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.618 3.003 6.556 1.00 0.00 C ATOM 0 H LEU A 33 1.791 6.406 6.356 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.058 6.673 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.576 4.529 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.041 5.585 4.988 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.146 3.397 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.269 3.853 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.308 5.248 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.032 5.248 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.337 2.260 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.039 3.551 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.298 2.503 6.870 1.00 0.00 H new ATOM 485 N ALA A 34 -0.689 4.899 8.963 1.00 0.00 N ATOM 486 CA ALA A 34 -0.386 4.260 10.232 1.00 0.00 C ATOM 487 C ALA A 34 0.722 3.225 10.025 1.00 0.00 C ATOM 488 O ALA A 34 0.683 2.452 9.069 1.00 0.00 O ATOM 489 CB ALA A 34 -1.661 3.641 10.810 1.00 0.00 C ATOM 0 H ALA A 34 -1.680 4.917 8.721 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.023 4.992 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.433 3.162 11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.406 4.421 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.053 2.899 10.115 1.00 0.00 H new ATOM 495 N GLU A 35 1.683 3.244 10.936 1.00 0.00 N ATOM 496 CA GLU A 35 2.800 2.317 10.865 1.00 0.00 C ATOM 497 C GLU A 35 2.359 0.921 11.309 1.00 0.00 C ATOM 498 O GLU A 35 3.138 -0.030 11.245 1.00 0.00 O ATOM 499 CB GLU A 35 3.979 2.813 11.705 1.00 0.00 C ATOM 500 CG GLU A 35 3.673 2.698 13.200 1.00 0.00 C ATOM 501 CD GLU A 35 4.919 2.993 14.038 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.890 2.218 13.904 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.872 3.988 14.794 1.00 0.00 O ATOM 0 H GLU A 35 1.712 3.887 11.728 1.00 0.00 H new ATOM 0 HA GLU A 35 3.134 2.259 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.870 2.232 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.198 3.851 11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.878 3.394 13.467 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.308 1.696 13.424 1.00 0.00 H new ATOM 510 N ASN A 36 1.112 0.840 11.749 1.00 0.00 N ATOM 511 CA ASN A 36 0.559 -0.424 12.203 1.00 0.00 C ATOM 512 C ASN A 36 -0.595 -0.831 11.284 1.00 0.00 C ATOM 513 O ASN A 36 -1.394 -1.699 11.632 1.00 0.00 O ATOM 514 CB ASN A 36 0.010 -0.305 13.626 1.00 0.00 C ATOM 515 CG ASN A 36 -0.429 1.129 13.927 1.00 0.00 C ATOM 516 OD1 ASN A 36 -1.253 1.710 13.239 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.164 1.665 14.989 1.00 0.00 N ATOM 0 H ASN A 36 0.469 1.630 11.801 1.00 0.00 H new ATOM 0 HA ASN A 36 1.356 -1.167 12.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.835 -0.982 13.751 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.773 -0.613 14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.062 2.618 15.272 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.845 1.123 15.521 1.00 0.00 H new ATOM 524 N SER A 37 -0.645 -0.184 10.129 1.00 0.00 N ATOM 525 CA SER A 37 -1.687 -0.467 9.157 1.00 0.00 C ATOM 526 C SER A 37 -1.263 -1.631 8.259 1.00 0.00 C ATOM 527 O SER A 37 -0.361 -1.487 7.436 1.00 0.00 O ATOM 528 CB SER A 37 -2.003 0.768 8.312 1.00 0.00 C ATOM 529 OG SER A 37 -3.082 1.525 8.853 1.00 0.00 O ATOM 0 H SER A 37 0.020 0.536 9.844 1.00 0.00 H new ATOM 0 HA SER A 37 -2.592 -0.745 9.697 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.116 1.398 8.246 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.251 0.458 7.297 1.00 0.00 H new ATOM 0 HG SER A 37 -3.251 2.306 8.285 1.00 0.00 H new ATOM 535 N ASN A 38 -1.934 -2.758 8.449 1.00 0.00 N ATOM 536 CA ASN A 38 -1.638 -3.946 7.666 1.00 0.00 C ATOM 537 C ASN A 38 -1.361 -3.540 6.217 1.00 0.00 C ATOM 538 O ASN A 38 -1.903 -2.548 5.732 1.00 0.00 O ATOM 539 CB ASN A 38 -2.822 -4.915 7.668 1.00 0.00 C ATOM 540 CG ASN A 38 -4.149 -4.161 7.774 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.407 -3.438 8.722 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.972 -4.369 6.750 1.00 0.00 N ATOM 0 H ASN A 38 -2.681 -2.873 9.134 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.771 -4.435 8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.810 -5.511 6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.727 -5.609 8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.883 -3.910 6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.692 -4.987 5.988 1.00 0.00 H new ATOM 549 N VAL A 39 -0.518 -4.329 5.566 1.00 0.00 N ATOM 550 CA VAL A 39 -0.163 -4.064 4.183 1.00 0.00 C ATOM 551 C VAL A 39 -1.411 -3.623 3.415 1.00 0.00 C ATOM 552 O VAL A 39 -1.436 -2.539 2.835 1.00 0.00 O ATOM 553 CB VAL A 39 0.511 -5.295 3.571 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.407 -5.275 2.045 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.970 -5.401 4.020 1.00 0.00 C ATOM 0 H VAL A 39 -0.071 -5.151 5.971 1.00 0.00 H new ATOM 0 HA VAL A 39 0.559 -3.250 4.124 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.015 -6.179 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.894 -6.160 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.643 -5.270 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.896 -4.381 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.426 -6.284 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.514 -4.511 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.011 -5.484 5.106 1.00 0.00 H new ATOM 565 N ARG A 40 -2.416 -4.486 3.437 1.00 0.00 N ATOM 566 CA ARG A 40 -3.664 -4.199 2.751 1.00 0.00 C ATOM 567 C ARG A 40 -4.025 -2.720 2.903 1.00 0.00 C ATOM 568 O ARG A 40 -4.187 -2.012 1.910 1.00 0.00 O ATOM 569 CB ARG A 40 -4.806 -5.055 3.303 1.00 0.00 C ATOM 570 CG ARG A 40 -5.699 -5.572 2.173 1.00 0.00 C ATOM 571 CD ARG A 40 -6.569 -6.736 2.652 1.00 0.00 C ATOM 572 NE ARG A 40 -7.988 -6.476 2.322 1.00 0.00 N ATOM 573 CZ ARG A 40 -8.522 -6.653 1.106 1.00 0.00 C ATOM 574 NH1 ARG A 40 -7.757 -7.092 0.096 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.819 -6.391 0.898 1.00 0.00 N ATOM 0 H ARG A 40 -2.391 -5.384 3.919 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.525 -4.436 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.397 -5.897 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.401 -4.467 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.334 -4.765 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.081 -5.895 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.242 -7.663 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.455 -6.867 3.728 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.598 -6.141 3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.769 -7.291 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.163 -7.227 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.401 -6.056 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.224 -6.526 -0.028 1.00 0.00 H new ATOM 589 N ARG A 41 -4.140 -2.297 4.153 1.00 0.00 N ATOM 590 CA ARG A 41 -4.479 -0.915 4.447 1.00 0.00 C ATOM 591 C ARG A 41 -3.585 0.033 3.646 1.00 0.00 C ATOM 592 O ARG A 41 -4.080 0.918 2.949 1.00 0.00 O ATOM 593 CB ARG A 41 -4.320 -0.615 5.939 1.00 0.00 C ATOM 594 CG ARG A 41 -5.509 -1.155 6.737 1.00 0.00 C ATOM 595 CD ARG A 41 -5.923 -0.175 7.836 1.00 0.00 C ATOM 596 NE ARG A 41 -7.238 -0.564 8.393 1.00 0.00 N ATOM 597 CZ ARG A 41 -7.784 -0.013 9.485 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.132 0.954 10.145 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.982 -0.429 9.918 1.00 0.00 N ATOM 0 H ARG A 41 -4.004 -2.887 4.974 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.521 -0.762 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.397 -1.063 6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.235 0.461 6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.350 -1.332 6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.247 -2.115 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.173 -0.165 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.975 0.836 7.432 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.761 -1.298 7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.220 1.270 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.548 1.374 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.478 -1.165 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.398 -0.009 10.750 1.00 0.00 H new ATOM 613 N PHE A 42 -2.284 -0.184 3.770 1.00 0.00 N ATOM 614 CA PHE A 42 -1.317 0.640 3.066 1.00 0.00 C ATOM 615 C PHE A 42 -1.655 0.730 1.577 1.00 0.00 C ATOM 616 O PHE A 42 -1.562 1.801 0.979 1.00 0.00 O ATOM 617 CB PHE A 42 0.047 -0.035 3.228 1.00 0.00 C ATOM 618 CG PHE A 42 1.228 0.838 2.796 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.013 2.113 2.374 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.492 0.338 2.833 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.108 2.922 1.973 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.587 1.148 2.433 1.00 0.00 C ATOM 623 CZ PHE A 42 3.373 2.423 2.011 1.00 0.00 C ATOM 0 H PHE A 42 -1.877 -0.919 4.348 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.322 1.651 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.180 -0.317 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.057 -0.956 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.009 2.510 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.663 -0.675 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.937 3.934 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.591 0.751 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.206 3.039 1.706 1.00 0.00 H new ATOM 633 N LYS A 43 -2.039 -0.409 1.020 1.00 0.00 N ATOM 634 CA LYS A 43 -2.391 -0.472 -0.389 1.00 0.00 C ATOM 635 C LYS A 43 -3.564 0.473 -0.659 1.00 0.00 C ATOM 636 O LYS A 43 -3.534 1.247 -1.615 1.00 0.00 O ATOM 637 CB LYS A 43 -2.657 -1.918 -0.810 1.00 0.00 C ATOM 638 CG LYS A 43 -1.362 -2.733 -0.823 1.00 0.00 C ATOM 639 CD LYS A 43 -1.657 -4.233 -0.760 1.00 0.00 C ATOM 640 CE LYS A 43 -0.601 -5.032 -1.526 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.053 -6.427 -1.729 1.00 0.00 N ATOM 0 H LYS A 43 -2.114 -1.296 1.519 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.559 -0.133 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.371 -2.374 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.111 -1.934 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.796 -2.508 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.739 -2.446 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.681 -4.559 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.643 -4.431 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.409 -4.562 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.340 -5.025 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.227 -7.058 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.672 -6.709 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.578 -6.495 -2.624 1.00 0.00 H new ATOM 655 N LYS A 44 -4.569 0.379 0.199 1.00 0.00 N ATOM 656 CA LYS A 44 -5.749 1.215 0.064 1.00 0.00 C ATOM 657 C LYS A 44 -5.321 2.638 -0.303 1.00 0.00 C ATOM 658 O LYS A 44 -5.810 3.205 -1.279 1.00 0.00 O ATOM 659 CB LYS A 44 -6.608 1.138 1.328 1.00 0.00 C ATOM 660 CG LYS A 44 -7.038 -0.303 1.612 1.00 0.00 C ATOM 661 CD LYS A 44 -8.482 -0.542 1.168 1.00 0.00 C ATOM 662 CE LYS A 44 -8.904 -1.988 1.431 1.00 0.00 C ATOM 663 NZ LYS A 44 -9.573 -2.102 2.746 1.00 0.00 N ATOM 0 H LYS A 44 -4.590 -0.264 0.991 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.382 0.853 -0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.047 1.528 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.490 1.768 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.375 -0.994 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.942 -0.512 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.147 0.137 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.582 -0.318 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.578 -2.325 0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.030 -2.639 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.853 -3.090 2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.919 -1.800 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.418 -1.496 2.759 1.00 0.00 H new ATOM 677 N GLN A 45 -4.413 3.174 0.499 1.00 0.00 N ATOM 678 CA GLN A 45 -3.914 4.519 0.271 1.00 0.00 C ATOM 679 C GLN A 45 -3.442 4.672 -1.176 1.00 0.00 C ATOM 680 O GLN A 45 -3.788 5.644 -1.846 1.00 0.00 O ATOM 681 CB GLN A 45 -2.792 4.861 1.253 1.00 0.00 C ATOM 682 CG GLN A 45 -3.131 6.118 2.057 1.00 0.00 C ATOM 683 CD GLN A 45 -2.097 7.220 1.815 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.287 8.119 1.012 1.00 0.00 O ATOM 685 NE2 GLN A 45 -0.996 7.100 2.551 1.00 0.00 N ATOM 0 H GLN A 45 -4.010 2.701 1.308 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.729 5.222 0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.630 4.024 1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.861 5.014 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.122 6.476 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.168 5.876 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.902 6.323 3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.246 7.785 2.462 1.00 0.00 H new ATOM 694 N ILE A 46 -2.659 3.698 -1.615 1.00 0.00 N ATOM 695 CA ILE A 46 -2.135 3.712 -2.971 1.00 0.00 C ATOM 696 C ILE A 46 -3.297 3.625 -3.962 1.00 0.00 C ATOM 697 O ILE A 46 -3.451 4.491 -4.822 1.00 0.00 O ATOM 698 CB ILE A 46 -1.088 2.611 -3.152 1.00 0.00 C ATOM 699 CG1 ILE A 46 0.059 2.775 -2.154 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.588 2.563 -4.597 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.521 1.418 -1.620 1.00 0.00 C ATOM 0 H ILE A 46 -2.374 2.894 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.615 4.649 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.561 1.652 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.894 3.284 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.263 3.405 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.155 1.772 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.425 2.362 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.137 3.520 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.337 1.564 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.310 0.922 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.865 0.799 -2.449 1.00 0.00 H new ATOM 713 N SER A 47 -4.086 2.571 -3.809 1.00 0.00 N ATOM 714 CA SER A 47 -5.230 2.360 -4.681 1.00 0.00 C ATOM 715 C SER A 47 -6.006 3.667 -4.852 1.00 0.00 C ATOM 716 O SER A 47 -6.532 3.944 -5.929 1.00 0.00 O ATOM 717 CB SER A 47 -6.147 1.266 -4.130 1.00 0.00 C ATOM 718 OG SER A 47 -7.330 1.805 -3.547 1.00 0.00 O ATOM 0 H SER A 47 -3.956 1.854 -3.095 1.00 0.00 H new ATOM 0 HA SER A 47 -4.863 2.033 -5.654 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.418 0.582 -4.934 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.608 0.683 -3.383 1.00 0.00 H new ATOM 0 HG SER A 47 -7.094 2.328 -2.752 1.00 0.00 H new ATOM 724 N LYS A 48 -6.053 4.436 -3.774 1.00 0.00 N ATOM 725 CA LYS A 48 -6.756 5.707 -3.791 1.00 0.00 C ATOM 726 C LYS A 48 -6.068 6.652 -4.779 1.00 0.00 C ATOM 727 O LYS A 48 -6.623 6.968 -5.830 1.00 0.00 O ATOM 728 CB LYS A 48 -6.871 6.275 -2.375 1.00 0.00 C ATOM 729 CG LYS A 48 -7.837 5.444 -1.528 1.00 0.00 C ATOM 730 CD LYS A 48 -8.902 6.332 -0.881 1.00 0.00 C ATOM 731 CE LYS A 48 -10.282 5.677 -0.959 1.00 0.00 C ATOM 732 NZ LYS A 48 -11.219 6.328 -0.017 1.00 0.00 N ATOM 0 H LYS A 48 -5.615 4.203 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.780 5.571 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.888 6.289 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.217 7.308 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.317 4.690 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.283 4.912 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.642 6.518 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.926 7.300 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.669 5.751 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.201 4.615 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.151 5.871 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.856 6.236 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.310 7.336 -0.258 1.00 0.00 H new ATOM 746 N TYR A 49 -4.870 7.077 -4.405 1.00 0.00 N ATOM 747 CA TYR A 49 -4.100 7.979 -5.245 1.00 0.00 C ATOM 748 C TYR A 49 -3.859 7.370 -6.628 1.00 0.00 C ATOM 749 O TYR A 49 -4.253 7.946 -7.641 1.00 0.00 O ATOM 750 CB TYR A 49 -2.754 8.165 -4.541 1.00 0.00 C ATOM 751 CG TYR A 49 -1.775 9.064 -5.300 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.076 10.395 -5.504 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.590 8.543 -5.779 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.154 11.240 -6.217 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.332 9.388 -6.492 1.00 0.00 C ATOM 756 CZ TYR A 49 0.004 10.695 -6.676 1.00 0.00 C ATOM 757 OH TYR A 49 0.875 11.494 -7.350 1.00 0.00 O ATOM 0 H TYR A 49 -4.414 6.813 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.632 8.920 -5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.928 8.588 -3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.294 7.188 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.003 10.803 -5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.354 7.501 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.377 12.283 -6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.263 8.993 -6.872 1.00 0.00 H new ATOM 0 HH TYR A 49 1.788 11.157 -7.230 1.00 0.00 H new ATOM 767 N LEU A 50 -3.214 6.213 -6.625 1.00 0.00 N ATOM 768 CA LEU A 50 -2.916 5.520 -7.867 1.00 0.00 C ATOM 769 C LEU A 50 -4.220 5.250 -8.621 1.00 0.00 C ATOM 770 O LEU A 50 -4.202 4.971 -9.819 1.00 0.00 O ATOM 771 CB LEU A 50 -2.092 4.260 -7.593 1.00 0.00 C ATOM 772 CG LEU A 50 -0.573 4.439 -7.588 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.110 5.157 -6.318 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.138 3.098 -7.779 1.00 0.00 C ATOM 0 H LEU A 50 -2.889 5.738 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.297 6.144 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.393 3.856 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.347 3.513 -8.344 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.301 5.071 -8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.974 5.272 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.578 6.140 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.396 4.571 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.217 3.254 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.137 2.422 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.159 2.661 -8.733 1.00 0.00 H new ATOM 786 N HIS A 51 -5.320 5.344 -7.888 1.00 0.00 N ATOM 787 CA HIS A 51 -6.630 5.114 -8.473 1.00 0.00 C ATOM 788 C HIS A 51 -6.627 3.786 -9.233 1.00 0.00 C ATOM 789 O HIS A 51 -6.977 3.740 -10.411 1.00 0.00 O ATOM 790 CB HIS A 51 -7.049 6.297 -9.348 1.00 0.00 C ATOM 791 CG HIS A 51 -6.137 6.544 -10.526 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.138 5.745 -11.656 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.195 7.508 -10.736 1.00 0.00 C ATOM 794 CE1 HIS A 51 -5.234 6.216 -12.502 1.00 0.00 C ATOM 795 NE2 HIS A 51 -4.650 7.308 -11.930 1.00 0.00 N ATOM 0 H HIS A 51 -5.331 5.576 -6.895 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.377 5.039 -7.683 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.061 6.124 -9.715 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.083 7.196 -8.733 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.734 4.932 -11.811 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.936 8.299 -10.048 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.000 5.807 -13.474 1.00 0.00 H new ATOM 803 N CYS A 52 -6.227 2.738 -8.527 1.00 0.00 N ATOM 804 CA CYS A 52 -6.173 1.413 -9.120 1.00 0.00 C ATOM 805 C CYS A 52 -6.865 0.433 -8.170 1.00 0.00 C ATOM 806 O CYS A 52 -7.414 0.838 -7.147 1.00 0.00 O ATOM 807 CB CYS A 52 -4.736 0.989 -9.430 1.00 0.00 C ATOM 808 SG CYS A 52 -4.211 1.688 -11.038 1.00 0.00 S ATOM 0 H CYS A 52 -5.937 2.780 -7.550 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.694 1.419 -10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.068 1.332 -8.640 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.667 -0.098 -9.457 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.125 2.982 -10.941 1.00 0.00 H new ATOM 814 N ASN A 53 -6.815 -0.838 -8.542 1.00 0.00 N ATOM 815 CA ASN A 53 -7.430 -1.878 -7.736 1.00 0.00 C ATOM 816 C ASN A 53 -6.385 -2.462 -6.782 1.00 0.00 C ATOM 817 O ASN A 53 -5.314 -2.887 -7.214 1.00 0.00 O ATOM 818 CB ASN A 53 -7.957 -3.015 -8.613 1.00 0.00 C ATOM 819 CG ASN A 53 -9.469 -3.181 -8.444 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.170 -2.292 -7.988 1.00 0.00 O ATOM 821 ND2 ASN A 53 -9.931 -4.365 -8.837 1.00 0.00 N ATOM 0 H ASN A 53 -6.358 -1.171 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.259 -1.433 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.724 -2.811 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.454 -3.945 -8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.927 -4.573 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.289 -5.065 -9.210 1.00 0.00 H new ATOM 828 N ALA A 54 -6.733 -2.465 -5.504 1.00 0.00 N ATOM 829 CA ALA A 54 -5.839 -2.990 -4.486 1.00 0.00 C ATOM 830 C ALA A 54 -5.681 -4.499 -4.682 1.00 0.00 C ATOM 831 O ALA A 54 -4.753 -5.104 -4.146 1.00 0.00 O ATOM 832 CB ALA A 54 -6.379 -2.635 -3.099 1.00 0.00 C ATOM 0 H ALA A 54 -7.622 -2.112 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.850 -2.541 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.708 -3.029 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.444 -1.551 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.370 -3.071 -2.972 1.00 0.00 H new ATOM 838 N ASP A 55 -6.601 -5.064 -5.450 1.00 0.00 N ATOM 839 CA ASP A 55 -6.575 -6.491 -5.723 1.00 0.00 C ATOM 840 C ASP A 55 -5.411 -6.805 -6.664 1.00 0.00 C ATOM 841 O ASP A 55 -5.002 -7.958 -6.788 1.00 0.00 O ATOM 842 CB ASP A 55 -7.868 -6.945 -6.402 1.00 0.00 C ATOM 843 CG ASP A 55 -7.907 -8.423 -6.796 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.360 -8.737 -7.876 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.483 -9.205 -6.010 1.00 0.00 O ATOM 0 H ASP A 55 -7.369 -4.559 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.464 -7.014 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.703 -6.741 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.022 -6.342 -7.297 1.00 0.00 H new ATOM 850 N ARG A 56 -4.910 -5.758 -7.304 1.00 0.00 N ATOM 851 CA ARG A 56 -3.801 -5.907 -8.230 1.00 0.00 C ATOM 852 C ARG A 56 -2.551 -5.218 -7.678 1.00 0.00 C ATOM 853 O ARG A 56 -1.514 -5.183 -8.339 1.00 0.00 O ATOM 854 CB ARG A 56 -4.141 -5.312 -9.598 1.00 0.00 C ATOM 855 CG ARG A 56 -5.484 -5.841 -10.107 1.00 0.00 C ATOM 856 CD ARG A 56 -5.327 -7.235 -10.717 1.00 0.00 C ATOM 857 NE ARG A 56 -5.849 -7.244 -12.102 1.00 0.00 N ATOM 858 CZ ARG A 56 -5.834 -8.317 -12.904 1.00 0.00 C ATOM 859 NH1 ARG A 56 -5.325 -9.476 -12.463 1.00 0.00 N ATOM 860 NH2 ARG A 56 -6.329 -8.232 -14.146 1.00 0.00 N ATOM 0 H ARG A 56 -5.252 -4.803 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.610 -6.974 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.177 -4.225 -9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.355 -5.559 -10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.200 -5.878 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.890 -5.157 -10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.277 -7.526 -10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.863 -7.968 -10.113 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.245 -6.379 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.949 -9.541 -11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.314 -10.293 -13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.717 -7.350 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.318 -9.049 -14.757 1.00 0.00 H new ATOM 874 N LEU A 57 -2.691 -4.686 -6.473 1.00 0.00 N ATOM 875 CA LEU A 57 -1.587 -4.000 -5.825 1.00 0.00 C ATOM 876 C LEU A 57 -0.816 -4.993 -4.952 1.00 0.00 C ATOM 877 O LEU A 57 -1.417 -5.823 -4.273 1.00 0.00 O ATOM 878 CB LEU A 57 -2.092 -2.773 -5.062 1.00 0.00 C ATOM 879 CG LEU A 57 -2.629 -1.625 -5.918 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.301 -0.560 -5.048 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.524 -1.033 -6.796 1.00 0.00 C ATOM 0 H LEU A 57 -3.553 -4.716 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.887 -3.619 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.881 -3.093 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.277 -2.391 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.392 -2.025 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.674 0.245 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.132 -1.007 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.576 -0.158 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.932 -0.219 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.722 -0.652 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.130 -1.806 -7.456 1.00 0.00 H new ATOM 893 N VAL A 58 0.502 -4.874 -5.000 1.00 0.00 N ATOM 894 CA VAL A 58 1.361 -5.751 -4.223 1.00 0.00 C ATOM 895 C VAL A 58 2.372 -4.908 -3.443 1.00 0.00 C ATOM 896 O VAL A 58 2.873 -3.906 -3.952 1.00 0.00 O ATOM 897 CB VAL A 58 2.023 -6.782 -5.139 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.693 -7.890 -4.323 1.00 0.00 C ATOM 899 CG2 VAL A 58 1.012 -7.365 -6.128 1.00 0.00 C ATOM 0 H VAL A 58 0.996 -4.183 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 58 0.775 -6.312 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 58 2.798 -6.273 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.156 -8.610 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.456 -7.456 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.945 -8.395 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.508 -8.095 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.205 -7.852 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.601 -6.564 -6.743 1.00 0.00 H new ATOM 909 N LEU A 59 2.643 -5.344 -2.222 1.00 0.00 N ATOM 910 CA LEU A 59 3.585 -4.642 -1.368 1.00 0.00 C ATOM 911 C LEU A 59 4.939 -5.353 -1.417 1.00 0.00 C ATOM 912 O LEU A 59 5.022 -6.556 -1.175 1.00 0.00 O ATOM 913 CB LEU A 59 3.019 -4.494 0.046 1.00 0.00 C ATOM 914 CG LEU A 59 2.899 -3.063 0.574 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.275 -2.485 0.910 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.130 -2.179 -0.410 1.00 0.00 C ATOM 0 H LEU A 59 2.226 -6.176 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 59 3.744 -3.627 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.031 -4.953 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.651 -5.061 0.730 1.00 0.00 H new ATOM 0 HG LEU A 59 2.326 -3.087 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.161 -1.467 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.751 -3.100 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.894 -2.475 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.059 -1.167 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.654 -2.156 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.128 -2.583 -0.556 1.00 0.00 H new ATOM 928 N ILE A 60 5.967 -4.578 -1.733 1.00 0.00 N ATOM 929 CA ILE A 60 7.313 -5.119 -1.817 1.00 0.00 C ATOM 930 C ILE A 60 8.280 -4.183 -1.089 1.00 0.00 C ATOM 931 O ILE A 60 8.591 -3.100 -1.583 1.00 0.00 O ATOM 932 CB ILE A 60 7.694 -5.384 -3.275 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.726 -6.377 -3.922 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.148 -5.845 -3.386 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.725 -5.657 -4.827 1.00 0.00 C ATOM 0 H ILE A 60 5.895 -3.581 -1.934 1.00 0.00 H new ATOM 0 HA ILE A 60 7.367 -6.086 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 60 7.611 -4.447 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.286 -7.110 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.191 -6.926 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.393 -6.027 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.806 -5.073 -2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.282 -6.765 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.049 -6.386 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.150 -4.943 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.262 -5.129 -5.615 1.00 0.00 H new ATOM 947 N PHE A 61 8.729 -4.634 0.073 1.00 0.00 N ATOM 948 CA PHE A 61 9.654 -3.850 0.873 1.00 0.00 C ATOM 949 C PHE A 61 11.019 -4.537 0.963 1.00 0.00 C ATOM 950 O PHE A 61 11.152 -5.579 1.602 1.00 0.00 O ATOM 951 CB PHE A 61 9.055 -3.747 2.277 1.00 0.00 C ATOM 952 CG PHE A 61 10.063 -3.345 3.356 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.328 -2.031 3.583 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.694 -4.302 4.087 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.264 -1.658 4.584 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.630 -3.929 5.088 1.00 0.00 C ATOM 957 CZ PHE A 61 11.895 -2.615 5.315 1.00 0.00 C ATOM 0 H PHE A 61 8.469 -5.533 0.480 1.00 0.00 H new ATOM 0 HA PHE A 61 9.799 -2.869 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.244 -3.019 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.616 -4.708 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.827 -1.271 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.484 -5.346 3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.474 -0.614 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.131 -4.689 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.607 -2.331 6.076 1.00 0.00 H new ATOM 967 N THR A 62 11.998 -3.924 0.313 1.00 0.00 N ATOM 968 CA THR A 62 13.347 -4.463 0.312 1.00 0.00 C ATOM 969 C THR A 62 13.482 -5.561 -0.746 1.00 0.00 C ATOM 970 O THR A 62 14.452 -6.316 -0.741 1.00 0.00 O ATOM 971 CB THR A 62 13.666 -4.942 1.729 1.00 0.00 C ATOM 972 OG1 THR A 62 15.019 -4.543 1.934 1.00 0.00 O ATOM 973 CG2 THR A 62 13.708 -6.468 1.836 1.00 0.00 C ATOM 0 H THR A 62 11.883 -3.060 -0.216 1.00 0.00 H new ATOM 0 HA THR A 62 14.077 -3.701 0.039 1.00 0.00 H new ATOM 0 HB THR A 62 12.921 -4.550 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.307 -4.813 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.938 -6.755 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.739 -6.879 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.477 -6.858 1.169 1.00 0.00 H new ATOM 981 N GLY A 63 12.493 -5.613 -1.627 1.00 0.00 N ATOM 982 CA GLY A 63 12.489 -6.606 -2.688 1.00 0.00 C ATOM 983 C GLY A 63 11.676 -7.837 -2.283 1.00 0.00 C ATOM 984 O GLY A 63 11.409 -8.709 -3.110 1.00 0.00 O ATOM 0 H GLY A 63 11.690 -4.984 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.070 -6.172 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.513 -6.901 -2.919 1.00 0.00 H new ATOM 988 N LYS A 64 11.305 -7.871 -1.012 1.00 0.00 N ATOM 989 CA LYS A 64 10.528 -8.981 -0.488 1.00 0.00 C ATOM 990 C LYS A 64 9.043 -8.614 -0.512 1.00 0.00 C ATOM 991 O LYS A 64 8.648 -7.572 0.009 1.00 0.00 O ATOM 992 CB LYS A 64 11.039 -9.386 0.896 1.00 0.00 C ATOM 993 CG LYS A 64 12.208 -10.366 0.783 1.00 0.00 C ATOM 994 CD LYS A 64 11.712 -11.814 0.775 1.00 0.00 C ATOM 995 CE LYS A 64 12.602 -12.692 -0.107 1.00 0.00 C ATOM 996 NZ LYS A 64 12.226 -14.117 0.035 1.00 0.00 N ATOM 0 H LYS A 64 11.528 -7.147 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 64 10.649 -9.862 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.355 -8.499 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.231 -9.843 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.769 -10.165 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.894 -10.217 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.703 -12.205 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.685 -11.849 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.507 -12.386 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.647 -12.556 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.839 -14.700 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.340 -14.409 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.235 -14.245 -0.252 1.00 0.00 H new ATOM 1010 N ILE A 65 8.259 -9.491 -1.122 1.00 0.00 N ATOM 1011 CA ILE A 65 6.826 -9.273 -1.221 1.00 0.00 C ATOM 1012 C ILE A 65 6.191 -9.453 0.159 1.00 0.00 C ATOM 1013 O ILE A 65 6.539 -10.379 0.891 1.00 0.00 O ATOM 1014 CB ILE A 65 6.220 -10.174 -2.299 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.727 -9.783 -3.689 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.692 -10.167 -2.224 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.524 -10.924 -4.323 1.00 0.00 C ATOM 0 H ILE A 65 8.590 -10.354 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 65 6.617 -8.251 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 65 6.547 -11.197 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.883 -9.525 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.354 -8.894 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.287 -10.815 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.374 -10.530 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.325 -9.151 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.873 -10.620 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.381 -11.163 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.887 -11.804 -4.418 1.00 0.00 H new ATOM 1029 N LEU A 66 5.270 -8.554 0.474 1.00 0.00 N ATOM 1030 CA LEU A 66 4.583 -8.602 1.753 1.00 0.00 C ATOM 1031 C LEU A 66 3.163 -9.135 1.545 1.00 0.00 C ATOM 1032 O LEU A 66 2.720 -9.304 0.410 1.00 0.00 O ATOM 1033 CB LEU A 66 4.632 -7.236 2.440 1.00 0.00 C ATOM 1034 CG LEU A 66 5.948 -6.466 2.306 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.727 -4.965 2.510 1.00 0.00 C ATOM 1036 CD2 LEU A 66 7.009 -7.023 3.257 1.00 0.00 C ATOM 0 H LEU A 66 4.984 -7.788 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 66 5.087 -9.292 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.830 -6.619 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.422 -7.377 3.500 1.00 0.00 H new ATOM 0 HG LEU A 66 6.322 -6.603 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.677 -4.440 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.027 -4.595 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.319 -4.789 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.934 -6.458 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.657 -6.937 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.193 -8.072 3.023 1.00 0.00 H new ATOM 1048 N ARG A 67 2.490 -9.384 2.659 1.00 0.00 N ATOM 1049 CA ARG A 67 1.130 -9.894 2.613 1.00 0.00 C ATOM 1050 C ARG A 67 0.164 -8.886 3.240 1.00 0.00 C ATOM 1051 O ARG A 67 0.474 -8.278 4.263 1.00 0.00 O ATOM 1052 CB ARG A 67 1.017 -11.228 3.353 1.00 0.00 C ATOM 1053 CG ARG A 67 1.963 -12.270 2.754 1.00 0.00 C ATOM 1054 CD ARG A 67 1.271 -13.064 1.644 1.00 0.00 C ATOM 1055 NE ARG A 67 1.524 -14.511 1.825 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.086 -15.461 0.987 1.00 0.00 C ATOM 1057 NH1 ARG A 67 0.370 -15.122 -0.094 1.00 0.00 N ATOM 1058 NH2 ARG A 67 1.364 -16.749 1.230 1.00 0.00 N ATOM 0 H ARG A 67 2.861 -9.242 3.598 1.00 0.00 H new ATOM 0 HA ARG A 67 0.869 -10.050 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.251 -11.084 4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.009 -11.591 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.849 -11.776 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.303 -12.950 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.199 -12.869 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.639 -12.741 0.670 1.00 0.00 H new ATOM 0 HE ARG A 67 2.066 -14.804 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.159 -14.141 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.037 -15.845 -0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.909 -17.007 2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.031 -17.472 0.592 1.00 0.00 H new ATOM 1072 N ASP A 68 -0.987 -8.741 2.599 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.000 -7.818 3.082 1.00 0.00 C ATOM 1074 C ASP A 68 -2.246 -8.070 4.571 1.00 0.00 C ATOM 1075 O ASP A 68 -2.648 -7.164 5.299 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.324 -8.018 2.343 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.191 -8.489 0.893 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -2.189 -8.094 0.258 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.094 -9.232 0.452 1.00 0.00 O ATOM 0 H ASP A 68 -1.240 -9.247 1.750 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.641 -6.803 2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.923 -8.745 2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.875 -7.078 2.355 1.00 0.00 H new ATOM 1084 N GLN A 69 -1.995 -9.305 4.978 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.184 -9.688 6.367 1.00 0.00 C ATOM 1086 C GLN A 69 -0.973 -9.268 7.203 1.00 0.00 C ATOM 1087 O GLN A 69 -1.103 -8.992 8.395 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.442 -11.190 6.492 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.195 -11.994 6.118 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.545 -13.459 5.852 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.281 -14.092 6.591 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -0.979 -13.961 4.758 1.00 0.00 N ATOM 0 H GLN A 69 -1.662 -10.054 4.370 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.063 -9.169 6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.739 -11.428 7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.271 -11.475 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.731 -11.561 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.463 -11.932 6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.373 -13.376 4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.151 -14.931 4.494 1.00 0.00 H new ATOM 1101 N ASP A 70 0.176 -9.233 6.546 1.00 0.00 N ATOM 1102 CA ASP A 70 1.409 -8.852 7.214 1.00 0.00 C ATOM 1103 C ASP A 70 1.366 -7.358 7.540 1.00 0.00 C ATOM 1104 O ASP A 70 0.877 -6.558 6.744 1.00 0.00 O ATOM 1105 CB ASP A 70 2.622 -9.105 6.316 1.00 0.00 C ATOM 1106 CG ASP A 70 2.928 -10.579 6.043 1.00 0.00 C ATOM 1107 OD1 ASP A 70 2.520 -11.409 6.883 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.563 -10.842 4.999 1.00 0.00 O ATOM 0 H ASP A 70 0.280 -9.462 5.558 1.00 0.00 H new ATOM 0 HA ASP A 70 1.500 -9.450 8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.461 -8.600 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.498 -8.647 6.776 1.00 0.00 H new ATOM 1113 N ILE A 71 1.885 -7.026 8.714 1.00 0.00 N ATOM 1114 CA ILE A 71 1.911 -5.642 9.156 1.00 0.00 C ATOM 1115 C ILE A 71 3.231 -5.000 8.725 1.00 0.00 C ATOM 1116 O ILE A 71 4.290 -5.617 8.831 1.00 0.00 O ATOM 1117 CB ILE A 71 1.647 -5.555 10.660 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.173 -5.818 10.974 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.123 -4.215 11.224 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.247 -7.213 10.508 1.00 0.00 C ATOM 0 H ILE A 71 2.290 -7.692 9.372 1.00 0.00 H new ATOM 0 HA ILE A 71 1.110 -5.075 8.682 1.00 0.00 H new ATOM 0 HB ILE A 71 2.226 -6.336 11.154 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.004 -5.723 12.047 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.446 -5.066 10.485 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.923 -4.179 12.295 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.194 -4.107 11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.592 -3.402 10.729 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.299 -7.374 10.743 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.099 -7.297 9.431 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.358 -7.964 11.017 1.00 0.00 H new ATOM 1132 N LEU A 72 3.125 -3.768 8.249 1.00 0.00 N ATOM 1133 CA LEU A 72 4.297 -3.035 7.802 1.00 0.00 C ATOM 1134 C LEU A 72 5.447 -3.274 8.781 1.00 0.00 C ATOM 1135 O LEU A 72 6.410 -3.967 8.456 1.00 0.00 O ATOM 1136 CB LEU A 72 3.959 -1.556 7.599 1.00 0.00 C ATOM 1137 CG LEU A 72 2.614 -1.261 6.932 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.499 0.219 6.563 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.389 -2.172 5.724 1.00 0.00 C ATOM 0 H LEU A 72 2.245 -3.259 8.163 1.00 0.00 H new ATOM 0 HA LEU A 72 4.626 -3.400 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.976 -1.063 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.747 -1.103 6.998 1.00 0.00 H new ATOM 0 HG LEU A 72 1.822 -1.477 7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.534 0.402 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.583 0.826 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.298 0.485 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.426 -1.941 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.183 -2.012 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.398 -3.213 6.047 1.00 0.00 H new ATOM 1151 N SER A 73 5.309 -2.687 9.961 1.00 0.00 N ATOM 1152 CA SER A 73 6.325 -2.828 10.991 1.00 0.00 C ATOM 1153 C SER A 73 6.744 -4.294 11.115 1.00 0.00 C ATOM 1154 O SER A 73 7.924 -4.619 10.988 1.00 0.00 O ATOM 1155 CB SER A 73 5.822 -2.304 12.337 1.00 0.00 C ATOM 1156 OG SER A 73 6.271 -3.107 13.425 1.00 0.00 O ATOM 0 H SER A 73 4.509 -2.113 10.227 1.00 0.00 H new ATOM 0 HA SER A 73 7.191 -2.232 10.701 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.165 -1.279 12.478 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.732 -2.278 12.331 1.00 0.00 H new ATOM 0 HG SER A 73 5.930 -2.738 14.266 1.00 0.00 H new ATOM 1162 N GLN A 74 5.755 -5.140 11.362 1.00 0.00 N ATOM 1163 CA GLN A 74 6.007 -6.564 11.505 1.00 0.00 C ATOM 1164 C GLN A 74 6.964 -7.046 10.414 1.00 0.00 C ATOM 1165 O GLN A 74 7.815 -7.899 10.662 1.00 0.00 O ATOM 1166 CB GLN A 74 4.699 -7.358 11.477 1.00 0.00 C ATOM 1167 CG GLN A 74 3.990 -7.295 12.832 1.00 0.00 C ATOM 1168 CD GLN A 74 3.245 -8.599 13.122 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.789 -9.547 13.665 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.974 -8.595 12.730 1.00 0.00 N ATOM 0 H GLN A 74 4.778 -4.867 11.467 1.00 0.00 H new ATOM 0 HA GLN A 74 6.476 -6.734 12.474 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.045 -6.960 10.701 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.905 -8.397 11.218 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.719 -7.106 13.620 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.288 -6.461 12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.581 -7.767 12.281 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.392 -9.419 12.878 1.00 0.00 H new ATOM 1179 N ARG A 75 6.793 -6.480 9.228 1.00 0.00 N ATOM 1180 CA ARG A 75 7.631 -6.841 8.098 1.00 0.00 C ATOM 1181 C ARG A 75 8.987 -6.139 8.196 1.00 0.00 C ATOM 1182 O ARG A 75 10.014 -6.711 7.835 1.00 0.00 O ATOM 1183 CB ARG A 75 6.964 -6.463 6.774 1.00 0.00 C ATOM 1184 CG ARG A 75 5.947 -7.525 6.350 1.00 0.00 C ATOM 1185 CD ARG A 75 6.625 -8.881 6.145 1.00 0.00 C ATOM 1186 NE ARG A 75 5.918 -9.646 5.093 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.302 -10.853 4.656 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.389 -11.440 5.176 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.600 -11.473 3.698 1.00 0.00 N ATOM 0 H ARG A 75 6.086 -5.773 9.026 1.00 0.00 H new ATOM 0 HA ARG A 75 7.774 -7.921 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.467 -5.498 6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.723 -6.351 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.170 -7.614 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.456 -7.216 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.668 -8.737 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.623 -9.443 7.079 1.00 0.00 H new ATOM 0 HE ARG A 75 5.087 -9.228 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.924 -10.968 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.681 -12.359 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.773 -11.026 3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.892 -12.392 3.365 1.00 0.00 H new ATOM 1203 N GLY A 76 8.946 -4.909 8.687 1.00 0.00 N ATOM 1204 CA GLY A 76 10.159 -4.122 8.838 1.00 0.00 C ATOM 1205 C GLY A 76 9.923 -2.667 8.427 1.00 0.00 C ATOM 1206 O GLY A 76 10.639 -1.770 8.869 1.00 0.00 O ATOM 0 H GLY A 76 8.092 -4.438 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.496 -4.161 9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.954 -4.552 8.228 1.00 0.00 H new ATOM 1210 N ILE A 77 8.917 -2.479 7.585 1.00 0.00 N ATOM 1211 CA ILE A 77 8.579 -1.149 7.109 1.00 0.00 C ATOM 1212 C ILE A 77 8.556 -0.179 8.293 1.00 0.00 C ATOM 1213 O ILE A 77 7.641 -0.217 9.113 1.00 0.00 O ATOM 1214 CB ILE A 77 7.271 -1.180 6.315 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.494 -1.755 4.915 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.624 0.205 6.270 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.171 -2.206 4.291 1.00 0.00 C ATOM 0 H ILE A 77 8.325 -3.226 7.221 1.00 0.00 H new ATOM 0 HA ILE A 77 9.338 -0.789 6.415 1.00 0.00 H new ATOM 0 HB ILE A 77 6.575 -1.843 6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.963 -1.003 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.181 -2.599 4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.696 0.155 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.409 0.539 7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.305 0.910 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.357 -2.611 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.717 -2.975 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.495 -1.354 4.215 1.00 0.00 H new ATOM 1229 N LEU A 78 9.575 0.667 8.343 1.00 0.00 N ATOM 1230 CA LEU A 78 9.684 1.644 9.412 1.00 0.00 C ATOM 1231 C LEU A 78 9.447 3.045 8.843 1.00 0.00 C ATOM 1232 O LEU A 78 8.946 3.189 7.729 1.00 0.00 O ATOM 1233 CB LEU A 78 11.021 1.495 10.141 1.00 0.00 C ATOM 1234 CG LEU A 78 10.941 1.318 11.659 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.134 0.071 12.024 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.338 1.299 12.283 1.00 0.00 C ATOM 0 H LEU A 78 10.332 0.696 7.660 1.00 0.00 H new ATOM 0 HA LEU A 78 8.916 1.471 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.547 0.637 9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.628 2.375 9.929 1.00 0.00 H new ATOM 0 HG LEU A 78 10.414 2.176 12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.093 -0.031 13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.122 0.164 11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.611 -0.810 11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.253 1.172 13.362 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.912 0.472 11.865 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.846 2.239 12.067 1.00 0.00 H new ATOM 1248 N ASP A 79 9.818 4.041 9.634 1.00 0.00 N ATOM 1249 CA ASP A 79 9.652 5.424 9.223 1.00 0.00 C ATOM 1250 C ASP A 79 10.778 5.804 8.259 1.00 0.00 C ATOM 1251 O ASP A 79 11.952 5.577 8.550 1.00 0.00 O ATOM 1252 CB ASP A 79 9.720 6.368 10.425 1.00 0.00 C ATOM 1253 CG ASP A 79 10.794 6.023 11.458 1.00 0.00 C ATOM 1254 OD1 ASP A 79 11.874 5.567 11.024 1.00 0.00 O ATOM 1255 OD2 ASP A 79 10.510 6.222 12.659 1.00 0.00 O ATOM 0 H ASP A 79 10.233 3.917 10.558 1.00 0.00 H new ATOM 0 HA ASP A 79 8.677 5.519 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.897 7.381 10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.749 6.372 10.920 1.00 0.00 H new ATOM 1260 N GLY A 80 10.382 6.376 7.132 1.00 0.00 N ATOM 1261 CA GLY A 80 11.343 6.789 6.124 1.00 0.00 C ATOM 1262 C GLY A 80 11.912 5.579 5.380 1.00 0.00 C ATOM 1263 O GLY A 80 13.118 5.496 5.151 1.00 0.00 O ATOM 0 H GLY A 80 9.408 6.563 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.864 7.464 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.154 7.345 6.595 1.00 0.00 H new ATOM 1267 N SER A 81 11.017 4.670 5.022 1.00 0.00 N ATOM 1268 CA SER A 81 11.414 3.468 4.308 1.00 0.00 C ATOM 1269 C SER A 81 10.922 3.532 2.861 1.00 0.00 C ATOM 1270 O SER A 81 10.044 4.330 2.535 1.00 0.00 O ATOM 1271 CB SER A 81 10.873 2.214 4.998 1.00 0.00 C ATOM 1272 OG SER A 81 11.377 2.074 6.324 1.00 0.00 O ATOM 0 H SER A 81 10.018 4.742 5.213 1.00 0.00 H new ATOM 0 HA SER A 81 12.503 3.411 4.312 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.784 2.257 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.142 1.334 4.413 1.00 0.00 H new ATOM 0 HG SER A 81 11.869 1.230 6.400 1.00 0.00 H new ATOM 1278 N THR A 82 11.509 2.681 2.032 1.00 0.00 N ATOM 1279 CA THR A 82 11.141 2.631 0.627 1.00 0.00 C ATOM 1280 C THR A 82 10.381 1.340 0.321 1.00 0.00 C ATOM 1281 O THR A 82 10.734 0.273 0.822 1.00 0.00 O ATOM 1282 CB THR A 82 12.417 2.796 -0.201 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.958 4.039 0.238 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.125 3.021 -1.686 1.00 0.00 C ATOM 0 H THR A 82 12.237 2.021 2.306 1.00 0.00 H new ATOM 0 HA THR A 82 10.460 3.441 0.367 1.00 0.00 H new ATOM 0 HB THR A 82 13.043 1.911 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.789 4.224 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.064 3.132 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.576 2.167 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.527 3.925 -1.806 1.00 0.00 H new ATOM 1292 N VAL A 83 9.350 1.478 -0.500 1.00 0.00 N ATOM 1293 CA VAL A 83 8.536 0.336 -0.879 1.00 0.00 C ATOM 1294 C VAL A 83 8.154 0.455 -2.356 1.00 0.00 C ATOM 1295 O VAL A 83 7.780 1.531 -2.819 1.00 0.00 O ATOM 1296 CB VAL A 83 7.323 0.227 0.046 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.555 -1.072 -0.206 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.740 0.342 1.514 1.00 0.00 C ATOM 0 H VAL A 83 9.060 2.364 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 83 9.100 -0.590 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 83 6.656 1.059 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.698 -1.124 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.209 -1.095 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.211 -1.924 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.859 0.261 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.438 -0.459 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.221 1.306 1.681 1.00 0.00 H new ATOM 1308 N HIS A 84 8.260 -0.666 -3.054 1.00 0.00 N ATOM 1309 CA HIS A 84 7.930 -0.700 -4.469 1.00 0.00 C ATOM 1310 C HIS A 84 6.454 -1.061 -4.642 1.00 0.00 C ATOM 1311 O HIS A 84 5.982 -2.049 -4.081 1.00 0.00 O ATOM 1312 CB HIS A 84 8.865 -1.649 -5.222 1.00 0.00 C ATOM 1313 CG HIS A 84 10.285 -1.149 -5.337 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.710 -0.329 -6.368 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.372 -1.361 -4.540 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.996 -0.066 -6.190 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.405 -0.707 -5.057 1.00 0.00 N ATOM 0 H HIS A 84 8.570 -1.557 -2.666 1.00 0.00 H new ATOM 0 HA HIS A 84 8.081 0.287 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.870 -2.614 -4.716 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.467 -1.816 -6.223 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.389 -1.959 -3.641 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.613 0.548 -6.830 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.349 -0.687 -4.671 1.00 0.00 H new ATOM 1325 N VAL A 85 5.765 -0.241 -5.422 1.00 0.00 N ATOM 1326 CA VAL A 85 4.351 -0.461 -5.677 1.00 0.00 C ATOM 1327 C VAL A 85 4.185 -1.183 -7.015 1.00 0.00 C ATOM 1328 O VAL A 85 5.004 -1.020 -7.919 1.00 0.00 O ATOM 1329 CB VAL A 85 3.595 0.868 -5.616 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.953 1.757 -6.809 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.085 0.636 -5.538 1.00 0.00 C ATOM 0 H VAL A 85 6.160 0.577 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 85 3.919 -1.100 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 85 3.901 1.387 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.402 2.695 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.023 1.963 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.689 1.247 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.571 1.596 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.755 0.087 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.851 0.060 -4.643 1.00 0.00 H new ATOM 1341 N VAL A 86 3.120 -1.966 -7.100 1.00 0.00 N ATOM 1342 CA VAL A 86 2.835 -2.714 -8.314 1.00 0.00 C ATOM 1343 C VAL A 86 1.338 -2.637 -8.616 1.00 0.00 C ATOM 1344 O VAL A 86 0.530 -2.414 -7.716 1.00 0.00 O ATOM 1345 CB VAL A 86 3.344 -4.150 -8.174 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.642 -5.079 -9.167 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.863 -4.213 -8.345 1.00 0.00 C ATOM 0 H VAL A 86 2.443 -2.099 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 86 3.360 -2.278 -9.164 1.00 0.00 H new ATOM 0 HB VAL A 86 3.106 -4.493 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.022 -6.094 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.568 -5.069 -8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.835 -4.737 -10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.198 -5.245 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.134 -3.842 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.341 -3.597 -7.583 1.00 0.00 H new ATOM 1357 N VAL A 87 1.013 -2.824 -9.887 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.374 -2.779 -10.320 1.00 0.00 C ATOM 1359 C VAL A 87 -0.622 -3.891 -11.340 1.00 0.00 C ATOM 1360 O VAL A 87 -0.852 -3.618 -12.517 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.708 -1.386 -10.859 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.221 -1.009 -12.015 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -2.175 -1.301 -11.284 1.00 0.00 C ATOM 0 H VAL A 87 1.686 -3.007 -10.631 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.043 -2.956 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.550 -0.668 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.037 -0.015 -12.380 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.254 -1.011 -11.667 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.109 -1.732 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.387 -0.301 -11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.370 -2.035 -12.066 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.815 -1.507 -10.426 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.566 -5.121 -10.853 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.782 -6.276 -11.708 1.00 0.00 C ATOM 1375 C ARG A 88 -1.906 -5.994 -12.706 1.00 0.00 C ATOM 1376 O ARG A 88 -2.817 -5.219 -12.419 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.140 -7.514 -10.882 1.00 0.00 C ATOM 1378 CG ARG A 88 0.120 -8.241 -10.410 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.183 -9.138 -9.208 1.00 0.00 C ATOM 1380 NE ARG A 88 0.520 -10.432 -9.352 1.00 0.00 N ATOM 1381 CZ ARG A 88 0.063 -11.458 -10.083 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -1.099 -11.347 -10.740 1.00 0.00 N ATOM 1383 NH2 ARG A 88 0.768 -12.595 -10.157 1.00 0.00 N ATOM 0 H ARG A 88 -0.374 -5.344 -9.876 1.00 0.00 H new ATOM 0 HA ARG A 88 0.146 -6.469 -12.246 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.739 -7.220 -10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.752 -8.190 -11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.524 -8.842 -11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.885 -7.513 -10.141 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.130 -8.645 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.257 -9.305 -9.130 1.00 0.00 H new ATOM 0 HE ARG A 88 1.408 -10.551 -8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.636 -10.482 -10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.447 -12.128 -11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.653 -12.680 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.420 -13.376 -10.713 1.00 0.00 H new ATOM 1397 N SER A 89 -1.806 -6.640 -13.859 1.00 0.00 N ATOM 1398 CA SER A 89 -2.804 -6.468 -14.902 1.00 0.00 C ATOM 1399 C SER A 89 -2.733 -7.633 -15.891 1.00 0.00 C ATOM 1400 O SER A 89 -1.662 -8.195 -16.118 1.00 0.00 O ATOM 1401 CB SER A 89 -2.612 -5.138 -15.634 1.00 0.00 C ATOM 1402 OG SER A 89 -1.279 -4.978 -16.110 1.00 0.00 O ATOM 0 H SER A 89 -1.050 -7.283 -14.094 1.00 0.00 H new ATOM 0 HA SER A 89 -3.789 -6.456 -14.435 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.306 -5.083 -16.473 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.858 -4.316 -14.962 1.00 0.00 H new ATOM 0 HG SER A 89 -1.198 -4.118 -16.573 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.887 -7.962 -16.452 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.969 -9.051 -17.411 1.00 0.00 C ATOM 1410 C HIS A 90 -2.979 -8.805 -18.552 1.00 0.00 C ATOM 1411 O HIS A 90 -2.815 -7.673 -19.004 1.00 0.00 O ATOM 1412 CB HIS A 90 -5.406 -9.234 -17.903 1.00 0.00 C ATOM 1413 CG HIS A 90 -5.903 -8.112 -18.782 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -6.531 -6.987 -18.278 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -5.856 -7.953 -20.136 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -6.845 -6.193 -19.292 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -6.426 -6.794 -20.443 1.00 0.00 N ATOM 0 H HIS A 90 -4.773 -7.494 -16.261 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.689 -9.988 -16.928 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.473 -10.171 -18.455 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.066 -9.325 -17.040 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.428 -8.652 -20.839 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -7.345 -5.238 -19.220 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -6.533 -6.415 -21.384 1.00 0.00 H new ATOM 1425 N SER A 91 -2.345 -9.885 -18.985 1.00 0.00 N ATOM 1426 CA SER A 91 -1.375 -9.801 -20.064 1.00 0.00 C ATOM 1427 C SER A 91 -2.060 -9.325 -21.347 1.00 0.00 C ATOM 1428 O SER A 91 -3.166 -9.760 -21.663 1.00 0.00 O ATOM 1429 CB SER A 91 -0.692 -11.150 -20.297 1.00 0.00 C ATOM 1430 OG SER A 91 -1.525 -12.052 -21.020 1.00 0.00 O ATOM 0 H SER A 91 -2.484 -10.823 -18.608 1.00 0.00 H new ATOM 0 HA SER A 91 -0.608 -9.080 -19.779 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.237 -10.996 -20.845 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.426 -11.592 -19.337 1.00 0.00 H new ATOM 0 HG SER A 91 -1.053 -12.901 -21.150 1.00 0.00 H new ATOM 1436 N GLY A 92 -1.374 -8.436 -22.051 1.00 0.00 N ATOM 1437 CA GLY A 92 -1.903 -7.896 -23.292 1.00 0.00 C ATOM 1438 C GLY A 92 -2.950 -6.815 -23.017 1.00 0.00 C ATOM 1439 O GLY A 92 -4.118 -7.122 -22.783 1.00 0.00 O ATOM 0 H GLY A 92 -0.457 -8.076 -21.786 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.091 -7.478 -23.886 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.349 -8.698 -23.881 1.00 0.00 H new ATOM 1443 N PRO A 93 -2.483 -5.538 -23.056 1.00 0.00 N ATOM 1444 CA PRO A 93 -3.367 -4.410 -22.814 1.00 0.00 C ATOM 1445 C PRO A 93 -4.271 -4.153 -24.021 1.00 0.00 C ATOM 1446 O PRO A 93 -4.090 -3.170 -24.739 1.00 0.00 O ATOM 1447 CB PRO A 93 -2.441 -3.245 -22.506 1.00 0.00 C ATOM 1448 CG PRO A 93 -1.075 -3.645 -23.040 1.00 0.00 C ATOM 1449 CD PRO A 93 -1.107 -5.136 -23.330 1.00 0.00 C ATOM 0 HA PRO A 93 -4.055 -4.584 -21.987 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.793 -2.330 -22.982 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.400 -3.052 -21.434 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.840 -3.085 -23.945 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.298 -3.414 -22.311 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.832 -5.344 -24.364 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.403 -5.677 -22.698 1.00 0.00 H new ATOM 1457 N SER A 94 -5.224 -5.053 -24.209 1.00 0.00 N ATOM 1458 CA SER A 94 -6.157 -4.936 -25.317 1.00 0.00 C ATOM 1459 C SER A 94 -5.407 -4.548 -26.593 1.00 0.00 C ATOM 1460 O SER A 94 -5.282 -3.365 -26.908 1.00 0.00 O ATOM 1461 CB SER A 94 -7.250 -3.911 -25.011 1.00 0.00 C ATOM 1462 OG SER A 94 -8.421 -4.130 -25.792 1.00 0.00 O ATOM 0 H SER A 94 -5.371 -5.867 -23.612 1.00 0.00 H new ATOM 0 HA SER A 94 -6.636 -5.904 -25.465 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.506 -3.959 -23.953 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.870 -2.908 -25.202 1.00 0.00 H new ATOM 0 HG SER A 94 -9.096 -3.456 -25.566 1.00 0.00 H new ATOM 1468 N SER A 95 -4.927 -5.566 -27.292 1.00 0.00 N ATOM 1469 CA SER A 95 -4.193 -5.345 -28.527 1.00 0.00 C ATOM 1470 C SER A 95 -5.053 -5.748 -29.726 1.00 0.00 C ATOM 1471 O SER A 95 -4.811 -6.780 -30.350 1.00 0.00 O ATOM 1472 CB SER A 95 -2.877 -6.126 -28.532 1.00 0.00 C ATOM 1473 OG SER A 95 -3.091 -7.533 -28.467 1.00 0.00 O ATOM 0 H SER A 95 -5.032 -6.545 -27.027 1.00 0.00 H new ATOM 0 HA SER A 95 -3.955 -4.284 -28.599 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.316 -5.886 -29.435 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.266 -5.813 -27.685 1.00 0.00 H new ATOM 0 HG SER A 95 -3.761 -7.793 -29.134 1.00 0.00 H new ATOM 1479 N GLY A 96 -6.040 -4.911 -30.014 1.00 0.00 N ATOM 1480 CA GLY A 96 -6.937 -5.167 -31.127 1.00 0.00 C ATOM 1481 C GLY A 96 -6.584 -4.288 -32.329 1.00 0.00 C ATOM 1482 O GLY A 96 -6.662 -3.063 -32.251 1.00 0.00 O ATOM 0 H GLY A 96 -6.237 -4.055 -29.495 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.879 -6.218 -31.411 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.966 -4.975 -30.821 1.00 0.00 H new TER 1486 GLY A 96