USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 855 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 68 ASN : amide:sc= -0.967 K(o=0.0092,f=-12!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 166:sc= 0.976 (180deg=0) USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 163:sc= -0.559 (180deg=-0.779) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 1.17 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00696 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -59:sc= 0.241 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.864 X(o=-0.86,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.592 K(o=0.59,f=-4.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 114:sc= 1.19 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00238 X(o=-0.0024,f=-0.0024) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -0.297 (180deg=-1.21!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 140:sc= -0.896 USER MOD Single : A 50 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.2!) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00716 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -28:sc= -6.34! USER MOD Single : A 71 HIS : no HE2:sc= -3.35! C(o=-3.4!,f=-2.8!) USER MOD Single : A 73 GLN : amide:sc= -1.52 K(o=-1.5,f=-1) USER MOD Single : A 80 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -107:sc= 0.271 (180deg=-0.328) USER MOD Single : A 92 THR OG1 : rot -150:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= -0.0579 (180deg=-0.128) USER MOD Single : A 96 TYR OH : rot 39:sc= -1.52 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 122:sc= 0.169 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.218 12.683 -1.918 1.00 0.00 N ATOM 2 CA GLY A 1 10.771 11.468 -1.262 1.00 0.00 C ATOM 3 C GLY A 1 11.102 11.452 0.217 1.00 0.00 C ATOM 4 O GLY A 1 12.261 11.605 0.603 1.00 0.00 O ATOM 0 H1 GLY A 1 10.968 12.645 -2.927 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.757 13.505 -1.478 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.250 12.771 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.694 11.364 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.234 10.607 -1.744 1.00 0.00 H new ATOM 8 N SER A 2 10.082 11.268 1.049 1.00 0.00 N ATOM 9 CA SER A 2 10.269 11.239 2.495 1.00 0.00 C ATOM 10 C SER A 2 9.046 10.647 3.189 1.00 0.00 C ATOM 11 O SER A 2 7.915 10.828 2.740 1.00 0.00 O ATOM 12 CB SER A 2 10.537 12.649 3.024 1.00 0.00 C ATOM 13 OG SER A 2 11.899 13.005 2.861 1.00 0.00 O ATOM 0 H SER A 2 9.117 11.137 0.746 1.00 0.00 H new ATOM 0 HA SER A 2 11.130 10.607 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.905 13.364 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.268 12.702 4.079 1.00 0.00 H new ATOM 0 HG SER A 2 12.276 12.517 2.099 1.00 0.00 H new ATOM 19 N SER A 3 9.284 9.937 4.287 1.00 0.00 N ATOM 20 CA SER A 3 8.204 9.314 5.043 1.00 0.00 C ATOM 21 C SER A 3 8.370 9.566 6.538 1.00 0.00 C ATOM 22 O SER A 3 9.488 9.618 7.050 1.00 0.00 O ATOM 23 CB SER A 3 8.164 7.809 4.770 1.00 0.00 C ATOM 24 OG SER A 3 6.901 7.262 5.107 1.00 0.00 O ATOM 0 H SER A 3 10.215 9.779 4.673 1.00 0.00 H new ATOM 0 HA SER A 3 7.264 9.761 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.376 7.622 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.944 7.311 5.345 1.00 0.00 H new ATOM 0 HG SER A 3 6.901 6.300 4.922 1.00 0.00 H new ATOM 30 N GLY A 4 7.248 9.723 7.234 1.00 0.00 N ATOM 31 CA GLY A 4 7.291 9.969 8.664 1.00 0.00 C ATOM 32 C GLY A 4 6.108 9.362 9.392 1.00 0.00 C ATOM 33 O GLY A 4 5.822 8.174 9.242 1.00 0.00 O ATOM 0 H GLY A 4 6.311 9.684 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.215 9.559 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.312 11.044 8.844 1.00 0.00 H new ATOM 37 N SER A 5 5.420 10.177 10.184 1.00 0.00 N ATOM 38 CA SER A 5 4.265 9.712 10.943 1.00 0.00 C ATOM 39 C SER A 5 2.972 10.289 10.373 1.00 0.00 C ATOM 40 O SER A 5 2.091 10.721 11.116 1.00 0.00 O ATOM 41 CB SER A 5 4.405 10.101 12.415 1.00 0.00 C ATOM 42 OG SER A 5 4.298 11.504 12.584 1.00 0.00 O ATOM 0 H SER A 5 5.642 11.164 10.317 1.00 0.00 H new ATOM 0 HA SER A 5 4.223 8.626 10.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.634 9.601 13.001 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.367 9.758 12.795 1.00 0.00 H new ATOM 0 HG SER A 5 4.389 11.727 13.534 1.00 0.00 H new ATOM 48 N SER A 6 2.866 10.292 9.048 1.00 0.00 N ATOM 49 CA SER A 6 1.684 10.819 8.377 1.00 0.00 C ATOM 50 C SER A 6 1.003 9.735 7.546 1.00 0.00 C ATOM 51 O SER A 6 1.629 8.751 7.155 1.00 0.00 O ATOM 52 CB SER A 6 2.063 12.000 7.482 1.00 0.00 C ATOM 53 OG SER A 6 3.061 11.631 6.546 1.00 0.00 O ATOM 0 H SER A 6 3.585 9.935 8.418 1.00 0.00 H new ATOM 0 HA SER A 6 0.985 11.161 9.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.179 12.358 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.423 12.825 8.096 1.00 0.00 H new ATOM 0 HG SER A 6 3.284 12.403 5.985 1.00 0.00 H new ATOM 59 N GLY A 7 -0.286 9.925 7.279 1.00 0.00 N ATOM 60 CA GLY A 7 -1.032 8.957 6.497 1.00 0.00 C ATOM 61 C GLY A 7 -2.118 8.273 7.303 1.00 0.00 C ATOM 62 O GLY A 7 -2.199 7.045 7.331 1.00 0.00 O ATOM 0 H GLY A 7 -0.826 10.732 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.481 9.457 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.347 8.205 6.105 1.00 0.00 H new ATOM 66 N ILE A 8 -2.953 9.069 7.962 1.00 0.00 N ATOM 67 CA ILE A 8 -4.039 8.532 8.773 1.00 0.00 C ATOM 68 C ILE A 8 -5.369 9.185 8.413 1.00 0.00 C ATOM 69 O ILE A 8 -5.485 10.411 8.392 1.00 0.00 O ATOM 70 CB ILE A 8 -3.772 8.734 10.277 1.00 0.00 C ATOM 71 CG1 ILE A 8 -2.520 7.964 10.702 1.00 0.00 C ATOM 72 CG2 ILE A 8 -4.976 8.290 11.093 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.669 6.463 10.598 1.00 0.00 C ATOM 0 H ILE A 8 -2.899 10.087 7.950 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.092 7.464 8.561 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.604 9.795 10.462 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.681 8.281 10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.274 8.226 11.731 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.772 8.439 12.153 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.847 8.878 10.805 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.173 7.234 10.906 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.743 5.983 10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.487 6.133 11.239 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.884 6.189 9.565 1.00 0.00 H new ATOM 85 N ASP A 9 -6.370 8.359 8.131 1.00 0.00 N ATOM 86 CA ASP A 9 -7.694 8.855 7.774 1.00 0.00 C ATOM 87 C ASP A 9 -8.632 8.816 8.977 1.00 0.00 C ATOM 88 O ASP A 9 -9.375 7.853 9.167 1.00 0.00 O ATOM 89 CB ASP A 9 -8.280 8.029 6.628 1.00 0.00 C ATOM 90 CG ASP A 9 -9.570 8.618 6.090 1.00 0.00 C ATOM 91 OD1 ASP A 9 -10.330 9.208 6.886 1.00 0.00 O ATOM 92 OD2 ASP A 9 -9.817 8.490 4.873 1.00 0.00 O ATOM 0 H ASP A 9 -6.290 7.342 8.143 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.591 9.890 7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.550 7.963 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.465 7.012 6.974 1.00 0.00 H new ATOM 97 N SER A 10 -8.590 9.869 9.788 1.00 0.00 N ATOM 98 CA SER A 10 -9.433 9.953 10.975 1.00 0.00 C ATOM 99 C SER A 10 -10.909 9.984 10.593 1.00 0.00 C ATOM 100 O SER A 10 -11.256 10.085 9.417 1.00 0.00 O ATOM 101 CB SER A 10 -9.079 11.199 11.790 1.00 0.00 C ATOM 102 OG SER A 10 -9.243 12.376 11.019 1.00 0.00 O ATOM 0 H SER A 10 -7.982 10.675 9.645 1.00 0.00 H new ATOM 0 HA SER A 10 -9.252 9.066 11.582 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.712 11.250 12.676 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.048 11.129 12.138 1.00 0.00 H new ATOM 0 HG SER A 10 -9.012 13.158 11.563 1.00 0.00 H new ATOM 108 N GLY A 11 -11.776 9.895 11.597 1.00 0.00 N ATOM 109 CA GLY A 11 -13.206 9.915 11.347 1.00 0.00 C ATOM 110 C GLY A 11 -13.748 8.548 10.981 1.00 0.00 C ATOM 111 O GLY A 11 -13.194 7.861 10.121 1.00 0.00 O ATOM 0 H GLY A 11 -11.514 9.809 12.579 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.722 10.282 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.421 10.616 10.541 1.00 0.00 H new ATOM 115 N LEU A 12 -14.834 8.149 11.634 1.00 0.00 N ATOM 116 CA LEU A 12 -15.452 6.854 11.374 1.00 0.00 C ATOM 117 C LEU A 12 -16.218 6.871 10.055 1.00 0.00 C ATOM 118 O LEU A 12 -15.945 6.076 9.156 1.00 0.00 O ATOM 119 CB LEU A 12 -16.393 6.476 12.519 1.00 0.00 C ATOM 120 CG LEU A 12 -15.740 6.282 13.888 1.00 0.00 C ATOM 121 CD1 LEU A 12 -15.056 7.563 14.339 1.00 0.00 C ATOM 122 CD2 LEU A 12 -16.773 5.838 14.914 1.00 0.00 C ATOM 0 H LEU A 12 -15.305 8.705 12.348 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.660 6.109 11.303 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.154 7.251 12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.908 5.554 12.250 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.984 5.501 13.801 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.597 7.406 15.315 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.288 7.839 13.617 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.792 8.364 14.409 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.290 5.705 15.882 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.552 6.596 14.998 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.218 4.895 14.598 1.00 0.00 H new ATOM 134 N SER A 13 -17.178 7.784 9.947 1.00 0.00 N ATOM 135 CA SER A 13 -17.986 7.904 8.739 1.00 0.00 C ATOM 136 C SER A 13 -18.666 6.580 8.406 1.00 0.00 C ATOM 137 O SER A 13 -18.538 6.047 7.304 1.00 0.00 O ATOM 138 CB SER A 13 -17.118 8.355 7.563 1.00 0.00 C ATOM 139 OG SER A 13 -17.909 8.619 6.417 1.00 0.00 O ATOM 0 H SER A 13 -17.415 8.451 10.681 1.00 0.00 H new ATOM 0 HA SER A 13 -18.757 8.652 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.562 9.251 7.840 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.384 7.583 7.332 1.00 0.00 H new ATOM 0 HG SER A 13 -18.401 7.810 6.166 1.00 0.00 H new ATOM 145 N PRO A 14 -19.408 6.035 9.381 1.00 0.00 N ATOM 146 CA PRO A 14 -20.125 4.767 9.217 1.00 0.00 C ATOM 147 C PRO A 14 -21.301 4.886 8.254 1.00 0.00 C ATOM 148 O PRO A 14 -21.816 3.883 7.761 1.00 0.00 O ATOM 149 CB PRO A 14 -20.620 4.453 10.631 1.00 0.00 C ATOM 150 CG PRO A 14 -20.712 5.780 11.303 1.00 0.00 C ATOM 151 CD PRO A 14 -19.606 6.616 10.720 1.00 0.00 C ATOM 0 HA PRO A 14 -19.488 3.991 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -21.588 3.952 10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.930 3.791 11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -21.684 6.240 11.126 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.598 5.680 12.382 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.885 7.668 10.664 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.699 6.558 11.321 1.00 0.00 H new ATOM 159 N SER A 15 -21.721 6.119 7.990 1.00 0.00 N ATOM 160 CA SER A 15 -22.840 6.369 7.089 1.00 0.00 C ATOM 161 C SER A 15 -22.357 6.500 5.647 1.00 0.00 C ATOM 162 O SER A 15 -21.197 6.828 5.396 1.00 0.00 O ATOM 163 CB SER A 15 -23.585 7.639 7.505 1.00 0.00 C ATOM 164 OG SER A 15 -23.914 7.608 8.883 1.00 0.00 O ATOM 0 H SER A 15 -21.303 6.961 8.387 1.00 0.00 H new ATOM 0 HA SER A 15 -23.521 5.520 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 15 -22.967 8.512 7.295 1.00 0.00 H new ATOM 0 HB3 SER A 15 -24.494 7.742 6.913 1.00 0.00 H new ATOM 0 HG SER A 15 -24.388 8.431 9.125 1.00 0.00 H new ATOM 170 N VAL A 16 -23.256 6.239 4.703 1.00 0.00 N ATOM 171 CA VAL A 16 -22.923 6.328 3.286 1.00 0.00 C ATOM 172 C VAL A 16 -24.085 6.902 2.484 1.00 0.00 C ATOM 173 O VAL A 16 -25.251 6.710 2.834 1.00 0.00 O ATOM 174 CB VAL A 16 -22.548 4.950 2.710 1.00 0.00 C ATOM 175 CG1 VAL A 16 -22.262 5.053 1.220 1.00 0.00 C ATOM 176 CG2 VAL A 16 -21.352 4.371 3.452 1.00 0.00 C ATOM 0 H VAL A 16 -24.220 5.964 4.894 1.00 0.00 H new ATOM 0 HA VAL A 16 -22.064 6.994 3.204 1.00 0.00 H new ATOM 0 HB VAL A 16 -23.394 4.276 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -21.999 4.069 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -23.148 5.422 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -21.433 5.742 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -21.100 3.397 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -20.500 5.042 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -21.599 4.258 4.508 1.00 0.00 H new ATOM 186 N LEU A 17 -23.761 7.608 1.406 1.00 0.00 N ATOM 187 CA LEU A 17 -24.779 8.211 0.552 1.00 0.00 C ATOM 188 C LEU A 17 -24.150 8.819 -0.698 1.00 0.00 C ATOM 189 O LEU A 17 -22.930 8.816 -0.855 1.00 0.00 O ATOM 190 CB LEU A 17 -25.550 9.284 1.323 1.00 0.00 C ATOM 191 CG LEU A 17 -24.702 10.338 2.035 1.00 0.00 C ATOM 192 CD1 LEU A 17 -24.386 11.493 1.097 1.00 0.00 C ATOM 193 CD2 LEU A 17 -25.414 10.841 3.283 1.00 0.00 C ATOM 0 H LEU A 17 -22.802 7.777 1.103 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.471 7.427 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -26.218 9.793 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -26.178 8.790 2.065 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.762 9.876 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -23.782 12.233 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -23.835 11.120 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.315 11.955 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.796 11.591 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.369 11.285 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.587 10.008 3.964 1.00 0.00 H new ATOM 205 N MET A 18 -24.992 9.343 -1.583 1.00 0.00 N ATOM 206 CA MET A 18 -24.518 9.958 -2.817 1.00 0.00 C ATOM 207 C MET A 18 -24.430 11.474 -2.669 1.00 0.00 C ATOM 208 O MET A 18 -25.408 12.130 -2.312 1.00 0.00 O ATOM 209 CB MET A 18 -25.446 9.601 -3.979 1.00 0.00 C ATOM 210 CG MET A 18 -24.768 9.661 -5.339 1.00 0.00 C ATOM 211 SD MET A 18 -23.852 8.156 -5.725 1.00 0.00 S ATOM 212 CE MET A 18 -24.650 7.657 -7.249 1.00 0.00 C ATOM 0 H MET A 18 -26.005 9.354 -1.468 1.00 0.00 H new ATOM 0 HA MET A 18 -23.520 9.572 -3.026 1.00 0.00 H new ATOM 0 HB2 MET A 18 -25.841 8.597 -3.823 1.00 0.00 H new ATOM 0 HB3 MET A 18 -26.297 10.282 -3.976 1.00 0.00 H new ATOM 0 HG2 MET A 18 -25.521 9.831 -6.109 1.00 0.00 H new ATOM 0 HG3 MET A 18 -24.088 10.512 -5.364 1.00 0.00 H new ATOM 0 HE1 MET A 18 -24.193 6.738 -7.615 1.00 0.00 H new ATOM 0 HE2 MET A 18 -25.711 7.487 -7.065 1.00 0.00 H new ATOM 0 HE3 MET A 18 -24.532 8.443 -7.995 1.00 0.00 H new ATOM 222 N ALA A 19 -23.252 12.024 -2.946 1.00 0.00 N ATOM 223 CA ALA A 19 -23.037 13.462 -2.845 1.00 0.00 C ATOM 224 C ALA A 19 -22.224 13.979 -4.026 1.00 0.00 C ATOM 225 O ALA A 19 -21.309 13.308 -4.504 1.00 0.00 O ATOM 226 CB ALA A 19 -22.343 13.801 -1.535 1.00 0.00 C ATOM 0 H ALA A 19 -22.432 11.495 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 19 -24.010 13.953 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -22.189 14.878 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -22.963 13.475 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -21.379 13.293 -1.492 1.00 0.00 H new ATOM 232 N SER A 20 -22.563 15.177 -4.494 1.00 0.00 N ATOM 233 CA SER A 20 -21.866 15.782 -5.623 1.00 0.00 C ATOM 234 C SER A 20 -21.467 17.220 -5.307 1.00 0.00 C ATOM 235 O SER A 20 -22.209 18.159 -5.593 1.00 0.00 O ATOM 236 CB SER A 20 -22.749 15.748 -6.872 1.00 0.00 C ATOM 237 OG SER A 20 -21.966 15.796 -8.051 1.00 0.00 O ATOM 0 H SER A 20 -23.316 15.747 -4.109 1.00 0.00 H new ATOM 0 HA SER A 20 -20.961 15.205 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 20 -23.353 14.841 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 20 -23.440 16.591 -6.856 1.00 0.00 H new ATOM 0 HG SER A 20 -22.553 15.771 -8.835 1.00 0.00 H new ATOM 243 N ASN A 21 -20.289 17.384 -4.714 1.00 0.00 N ATOM 244 CA ASN A 21 -19.790 18.708 -4.357 1.00 0.00 C ATOM 245 C ASN A 21 -18.265 18.733 -4.359 1.00 0.00 C ATOM 246 O ASN A 21 -17.617 17.713 -4.599 1.00 0.00 O ATOM 247 CB ASN A 21 -20.317 19.121 -2.982 1.00 0.00 C ATOM 248 CG ASN A 21 -21.818 19.334 -2.977 1.00 0.00 C ATOM 249 OD1 ASN A 21 -22.336 20.193 -3.691 1.00 0.00 O ATOM 250 ND2 ASN A 21 -22.525 18.552 -2.170 1.00 0.00 N ATOM 0 H ASN A 21 -19.662 16.617 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 21 -20.148 19.417 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.059 18.354 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.822 20.039 -2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -23.539 18.650 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -22.054 17.853 -1.596 1.00 0.00 H new ATOM 257 N SER A 22 -17.697 19.904 -4.090 1.00 0.00 N ATOM 258 CA SER A 22 -16.248 20.063 -4.063 1.00 0.00 C ATOM 259 C SER A 22 -15.588 18.906 -3.320 1.00 0.00 C ATOM 260 O SER A 22 -15.650 18.824 -2.094 1.00 0.00 O ATOM 261 CB SER A 22 -15.871 21.390 -3.401 1.00 0.00 C ATOM 262 OG SER A 22 -14.505 21.697 -3.616 1.00 0.00 O ATOM 0 H SER A 22 -18.218 20.757 -3.888 1.00 0.00 H new ATOM 0 HA SER A 22 -15.889 20.063 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.494 22.190 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.071 21.336 -2.331 1.00 0.00 H new ATOM 0 HG SER A 22 -14.290 22.550 -3.185 1.00 0.00 H new ATOM 268 N GLY A 23 -14.955 18.011 -4.072 1.00 0.00 N ATOM 269 CA GLY A 23 -14.292 16.869 -3.469 1.00 0.00 C ATOM 270 C GLY A 23 -13.013 17.254 -2.752 1.00 0.00 C ATOM 271 O GLY A 23 -12.064 17.730 -3.375 1.00 0.00 O ATOM 0 H GLY A 23 -14.889 18.056 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.970 16.390 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.065 16.135 -4.242 1.00 0.00 H new ATOM 275 N ARG A 24 -12.987 17.048 -1.440 1.00 0.00 N ATOM 276 CA ARG A 24 -11.816 17.379 -0.637 1.00 0.00 C ATOM 277 C ARG A 24 -11.085 16.115 -0.195 1.00 0.00 C ATOM 278 O ARG A 24 -11.505 15.001 -0.509 1.00 0.00 O ATOM 279 CB ARG A 24 -12.226 18.199 0.588 1.00 0.00 C ATOM 280 CG ARG A 24 -13.202 17.479 1.504 1.00 0.00 C ATOM 281 CD ARG A 24 -14.029 18.461 2.319 1.00 0.00 C ATOM 282 NE ARG A 24 -13.229 19.139 3.336 1.00 0.00 N ATOM 283 CZ ARG A 24 -12.715 18.525 4.395 1.00 0.00 C ATOM 284 NH1 ARG A 24 -12.915 17.227 4.576 1.00 0.00 N ATOM 285 NH2 ARG A 24 -11.997 19.210 5.277 1.00 0.00 N ATOM 0 H ARG A 24 -13.764 16.653 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.140 17.972 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.333 18.460 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.676 19.134 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.864 16.850 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.653 16.819 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.472 19.202 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.852 17.931 2.799 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.056 20.138 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.465 16.697 3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.519 16.759 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.840 20.209 5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.602 18.738 6.090 1.00 0.00 H new ATOM 299 N ARG A 25 -9.990 16.296 0.536 1.00 0.00 N ATOM 300 CA ARG A 25 -9.199 15.171 1.020 1.00 0.00 C ATOM 301 C ARG A 25 -10.099 13.997 1.398 1.00 0.00 C ATOM 302 O ARG A 25 -10.002 12.916 0.817 1.00 0.00 O ATOM 303 CB ARG A 25 -8.358 15.592 2.226 1.00 0.00 C ATOM 304 CG ARG A 25 -7.160 16.453 1.862 1.00 0.00 C ATOM 305 CD ARG A 25 -6.541 17.096 3.094 1.00 0.00 C ATOM 306 NE ARG A 25 -5.954 16.104 3.992 1.00 0.00 N ATOM 307 CZ ARG A 25 -5.450 16.400 5.184 1.00 0.00 C ATOM 308 NH1 ARG A 25 -5.461 17.652 5.620 1.00 0.00 N ATOM 309 NH2 ARG A 25 -4.932 15.443 5.943 1.00 0.00 N ATOM 0 H ARG A 25 -9.630 17.211 0.806 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.535 14.854 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.990 16.140 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.009 14.699 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.413 15.843 1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.468 17.229 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.773 17.805 2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.303 17.663 3.629 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.930 15.131 3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.857 18.391 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.073 17.876 6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.921 14.479 5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.545 15.672 6.859 1.00 0.00 H new ATOM 323 N SER A 26 -10.972 14.219 2.375 1.00 0.00 N ATOM 324 CA SER A 26 -11.886 13.179 2.833 1.00 0.00 C ATOM 325 C SER A 26 -12.841 12.765 1.718 1.00 0.00 C ATOM 326 O SER A 26 -13.810 13.465 1.423 1.00 0.00 O ATOM 327 CB SER A 26 -12.681 13.667 4.046 1.00 0.00 C ATOM 328 OG SER A 26 -11.833 13.868 5.164 1.00 0.00 O ATOM 0 H SER A 26 -11.066 15.109 2.864 1.00 0.00 H new ATOM 0 HA SER A 26 -11.294 12.311 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.191 14.599 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.452 12.938 4.297 1.00 0.00 H new ATOM 0 HG SER A 26 -12.364 14.181 5.925 1.00 0.00 H new ATOM 334 N ALA A 27 -12.561 11.621 1.102 1.00 0.00 N ATOM 335 CA ALA A 27 -13.395 11.111 0.021 1.00 0.00 C ATOM 336 C ALA A 27 -13.701 9.630 0.215 1.00 0.00 C ATOM 337 O ALA A 27 -12.984 8.909 0.909 1.00 0.00 O ATOM 338 CB ALA A 27 -12.718 11.341 -1.322 1.00 0.00 C ATOM 0 H ALA A 27 -11.763 11.030 1.333 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.339 11.655 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.352 10.955 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.557 12.409 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.759 10.824 -1.339 1.00 0.00 H new ATOM 344 N PRO A 28 -14.792 9.163 -0.411 1.00 0.00 N ATOM 345 CA PRO A 28 -15.217 7.763 -0.321 1.00 0.00 C ATOM 346 C PRO A 28 -14.271 6.821 -1.058 1.00 0.00 C ATOM 347 O PRO A 28 -13.412 7.246 -1.832 1.00 0.00 O ATOM 348 CB PRO A 28 -16.594 7.768 -0.989 1.00 0.00 C ATOM 349 CG PRO A 28 -16.561 8.933 -1.917 1.00 0.00 C ATOM 350 CD PRO A 28 -15.693 9.966 -1.255 1.00 0.00 C ATOM 0 HA PRO A 28 -15.228 7.406 0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.776 6.838 -1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.391 7.871 -0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.156 8.647 -2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -17.565 9.321 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.140 10.555 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.282 10.666 -0.662 1.00 0.00 H new ATOM 358 N PRO A 29 -14.429 5.512 -0.815 1.00 0.00 N ATOM 359 CA PRO A 29 -13.598 4.483 -1.447 1.00 0.00 C ATOM 360 C PRO A 29 -13.886 4.340 -2.937 1.00 0.00 C ATOM 361 O PRO A 29 -14.850 4.909 -3.451 1.00 0.00 O ATOM 362 CB PRO A 29 -13.990 3.204 -0.702 1.00 0.00 C ATOM 363 CG PRO A 29 -15.370 3.463 -0.204 1.00 0.00 C ATOM 364 CD PRO A 29 -15.433 4.935 0.096 1.00 0.00 C ATOM 0 HA PRO A 29 -12.536 4.721 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.964 2.337 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.304 2.999 0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -16.113 3.185 -0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.580 2.874 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.427 5.341 -0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.196 5.143 1.139 1.00 0.00 H new ATOM 372 N LEU A 30 -13.045 3.578 -3.627 1.00 0.00 N ATOM 373 CA LEU A 30 -13.209 3.360 -5.060 1.00 0.00 C ATOM 374 C LEU A 30 -14.421 2.478 -5.341 1.00 0.00 C ATOM 375 O LEU A 30 -14.518 1.360 -4.836 1.00 0.00 O ATOM 376 CB LEU A 30 -11.950 2.719 -5.646 1.00 0.00 C ATOM 377 CG LEU A 30 -11.650 3.043 -7.110 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.199 2.729 -7.440 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.587 2.272 -8.029 1.00 0.00 C ATOM 0 H LEU A 30 -12.242 3.100 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.370 4.328 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.095 3.028 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.037 1.637 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.814 4.109 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.004 2.966 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.544 3.325 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.007 1.670 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.360 2.515 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.455 1.202 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.619 2.547 -7.810 1.00 0.00 H new ATOM 391 N ASN A 31 -15.341 2.987 -6.153 1.00 0.00 N ATOM 392 CA ASN A 31 -16.547 2.244 -6.503 1.00 0.00 C ATOM 393 C ASN A 31 -16.206 1.021 -7.348 1.00 0.00 C ATOM 394 O ASN A 31 -16.044 1.119 -8.566 1.00 0.00 O ATOM 395 CB ASN A 31 -17.524 3.145 -7.261 1.00 0.00 C ATOM 396 CG ASN A 31 -16.842 3.948 -8.353 1.00 0.00 C ATOM 397 OD1 ASN A 31 -15.958 4.760 -8.082 1.00 0.00 O ATOM 398 ND2 ASN A 31 -17.253 3.723 -9.596 1.00 0.00 N ATOM 0 H ASN A 31 -15.275 3.910 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 31 -17.017 1.906 -5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.311 2.533 -7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.005 3.826 -6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.832 4.233 -10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.989 3.040 -9.774 1.00 0.00 H new ATOM 405 N LEU A 32 -16.098 -0.131 -6.695 1.00 0.00 N ATOM 406 CA LEU A 32 -15.776 -1.375 -7.386 1.00 0.00 C ATOM 407 C LEU A 32 -16.939 -1.826 -8.264 1.00 0.00 C ATOM 408 O LEU A 32 -16.787 -1.999 -9.474 1.00 0.00 O ATOM 409 CB LEU A 32 -15.432 -2.469 -6.374 1.00 0.00 C ATOM 410 CG LEU A 32 -14.404 -2.096 -5.305 1.00 0.00 C ATOM 411 CD1 LEU A 32 -14.201 -3.248 -4.334 1.00 0.00 C ATOM 412 CD2 LEU A 32 -13.084 -1.700 -5.950 1.00 0.00 C ATOM 0 H LEU A 32 -16.229 -0.230 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.911 -1.194 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.351 -2.776 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.061 -3.337 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.783 -1.240 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.466 -2.964 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.147 -3.484 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.844 -4.123 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.364 -1.438 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.699 -2.536 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.241 -0.842 -6.604 1.00 0.00 H new ATOM 424 N THR A 33 -18.102 -2.013 -7.648 1.00 0.00 N ATOM 425 CA THR A 33 -19.290 -2.443 -8.373 1.00 0.00 C ATOM 426 C THR A 33 -19.377 -1.767 -9.737 1.00 0.00 C ATOM 427 O THR A 33 -19.755 -0.601 -9.840 1.00 0.00 O ATOM 428 CB THR A 33 -20.574 -2.137 -7.579 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.721 -2.586 -8.309 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.696 -0.647 -7.300 1.00 0.00 C ATOM 0 H THR A 33 -18.246 -1.873 -6.648 1.00 0.00 H new ATOM 0 HA THR A 33 -19.204 -3.521 -8.509 1.00 0.00 H new ATOM 0 HB THR A 33 -20.520 -2.666 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.533 -2.389 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.610 -0.456 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.836 -0.314 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.729 -0.102 -8.243 1.00 0.00 H new ATOM 438 N GLY A 34 -19.024 -2.508 -10.783 1.00 0.00 N ATOM 439 CA GLY A 34 -19.070 -1.963 -12.127 1.00 0.00 C ATOM 440 C GLY A 34 -17.783 -2.201 -12.893 1.00 0.00 C ATOM 441 O GLY A 34 -17.804 -2.723 -14.009 1.00 0.00 O ATOM 0 H GLY A 34 -18.707 -3.476 -10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.901 -2.413 -12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.266 -0.892 -12.075 1.00 0.00 H new ATOM 445 N LEU A 35 -16.661 -1.816 -12.296 1.00 0.00 N ATOM 446 CA LEU A 35 -15.359 -1.989 -12.930 1.00 0.00 C ATOM 447 C LEU A 35 -15.140 -3.443 -13.336 1.00 0.00 C ATOM 448 O LEU A 35 -15.543 -4.375 -12.641 1.00 0.00 O ATOM 449 CB LEU A 35 -14.245 -1.539 -11.983 1.00 0.00 C ATOM 450 CG LEU A 35 -14.024 -0.030 -11.876 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.204 0.303 -10.639 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.343 0.500 -13.129 1.00 0.00 C ATOM 0 H LEU A 35 -16.626 -1.382 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.335 -1.372 -13.829 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.464 -1.925 -10.988 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.312 -2.001 -12.306 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.996 0.454 -11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.057 1.381 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.732 -0.041 -9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.235 -0.193 -10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.194 1.576 -13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.378 0.009 -13.254 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.969 0.295 -13.998 1.00 0.00 H new ATOM 464 N PRO A 36 -14.484 -3.643 -14.489 1.00 0.00 N ATOM 465 CA PRO A 36 -14.193 -4.981 -15.013 1.00 0.00 C ATOM 466 C PRO A 36 -13.151 -5.716 -14.179 1.00 0.00 C ATOM 467 O PRO A 36 -12.187 -5.117 -13.703 1.00 0.00 O ATOM 468 CB PRO A 36 -13.654 -4.702 -16.418 1.00 0.00 C ATOM 469 CG PRO A 36 -13.104 -3.320 -16.346 1.00 0.00 C ATOM 470 CD PRO A 36 -13.974 -2.578 -15.370 1.00 0.00 C ATOM 0 HA PRO A 36 -15.073 -5.624 -14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.883 -5.421 -16.696 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.443 -4.775 -17.166 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.066 -3.330 -16.014 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.121 -2.842 -17.325 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.407 -1.832 -14.812 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.784 -2.051 -15.874 1.00 0.00 H new ATOM 478 N GLY A 37 -13.350 -7.019 -14.005 1.00 0.00 N ATOM 479 CA GLY A 37 -12.418 -7.815 -13.228 1.00 0.00 C ATOM 480 C GLY A 37 -12.867 -7.995 -11.791 1.00 0.00 C ATOM 481 O GLY A 37 -12.389 -8.888 -11.090 1.00 0.00 O ATOM 0 H GLY A 37 -14.140 -7.538 -14.388 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.303 -8.793 -13.695 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.438 -7.338 -13.242 1.00 0.00 H new ATOM 485 N THR A 38 -13.787 -7.144 -11.349 1.00 0.00 N ATOM 486 CA THR A 38 -14.298 -7.210 -9.986 1.00 0.00 C ATOM 487 C THR A 38 -14.758 -8.622 -9.640 1.00 0.00 C ATOM 488 O THR A 38 -14.927 -8.959 -8.469 1.00 0.00 O ATOM 489 CB THR A 38 -15.472 -6.235 -9.778 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.116 -4.932 -10.253 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.856 -6.156 -8.308 1.00 0.00 C ATOM 0 H THR A 38 -14.194 -6.400 -11.916 1.00 0.00 H new ATOM 0 HA THR A 38 -13.478 -6.925 -9.327 1.00 0.00 H new ATOM 0 HB THR A 38 -16.328 -6.606 -10.342 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.666 -4.706 -11.032 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.687 -5.461 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.154 -7.144 -7.956 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.002 -5.806 -7.727 1.00 0.00 H new ATOM 499 N GLU A 39 -14.958 -9.443 -10.666 1.00 0.00 N ATOM 500 CA GLU A 39 -15.399 -10.819 -10.469 1.00 0.00 C ATOM 501 C GLU A 39 -14.204 -11.761 -10.355 1.00 0.00 C ATOM 502 O GLU A 39 -14.290 -12.818 -9.730 1.00 0.00 O ATOM 503 CB GLU A 39 -16.302 -11.259 -11.622 1.00 0.00 C ATOM 504 CG GLU A 39 -15.602 -11.278 -12.971 1.00 0.00 C ATOM 505 CD GLU A 39 -15.716 -9.957 -13.706 1.00 0.00 C ATOM 506 OE1 GLU A 39 -16.780 -9.312 -13.607 1.00 0.00 O ATOM 507 OE2 GLU A 39 -14.739 -9.568 -14.380 1.00 0.00 O ATOM 0 H GLU A 39 -14.822 -9.179 -11.642 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.965 -10.863 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.689 -12.255 -11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.160 -10.589 -11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.549 -11.519 -12.826 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.029 -12.070 -13.586 1.00 0.00 H new ATOM 514 N LYS A 40 -13.090 -11.372 -10.966 1.00 0.00 N ATOM 515 CA LYS A 40 -11.877 -12.180 -10.935 1.00 0.00 C ATOM 516 C LYS A 40 -11.311 -12.256 -9.520 1.00 0.00 C ATOM 517 O LYS A 40 -11.031 -13.342 -9.011 1.00 0.00 O ATOM 518 CB LYS A 40 -10.828 -11.598 -11.885 1.00 0.00 C ATOM 519 CG LYS A 40 -11.026 -12.007 -13.334 1.00 0.00 C ATOM 520 CD LYS A 40 -9.809 -11.671 -14.180 1.00 0.00 C ATOM 521 CE LYS A 40 -10.152 -11.637 -15.661 1.00 0.00 C ATOM 522 NZ LYS A 40 -10.102 -12.994 -16.273 1.00 0.00 N ATOM 0 H LYS A 40 -13.002 -10.501 -11.489 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.133 -13.188 -11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.852 -10.510 -11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.838 -11.916 -11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.223 -13.078 -13.387 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.903 -11.501 -13.739 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.409 -10.704 -13.876 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.027 -12.409 -14.003 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.148 -11.215 -15.793 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.456 -10.979 -16.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.342 -12.928 -17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.145 -13.387 -16.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.785 -13.616 -15.795 1.00 0.00 H new ATOM 536 N LEU A 41 -11.146 -11.098 -8.891 1.00 0.00 N ATOM 537 CA LEU A 41 -10.614 -11.035 -7.533 1.00 0.00 C ATOM 538 C LEU A 41 -11.728 -11.196 -6.504 1.00 0.00 C ATOM 539 O LEU A 41 -12.894 -11.364 -6.858 1.00 0.00 O ATOM 540 CB LEU A 41 -9.888 -9.707 -7.311 1.00 0.00 C ATOM 541 CG LEU A 41 -10.534 -8.474 -7.943 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.997 -8.371 -7.539 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.779 -7.214 -7.547 1.00 0.00 C ATOM 0 H LEU A 41 -11.372 -10.191 -9.298 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.907 -11.855 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.803 -9.538 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.874 -9.801 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.485 -8.577 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.440 -7.487 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.531 -9.260 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.070 -8.291 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.253 -6.346 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.796 -7.105 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.746 -7.286 -7.888 1.00 0.00 H new ATOM 555 N ASN A 42 -11.360 -11.143 -5.228 1.00 0.00 N ATOM 556 CA ASN A 42 -12.329 -11.282 -4.147 1.00 0.00 C ATOM 557 C ASN A 42 -12.233 -10.109 -3.176 1.00 0.00 C ATOM 558 O ASN A 42 -11.414 -9.209 -3.356 1.00 0.00 O ATOM 559 CB ASN A 42 -12.104 -12.598 -3.398 1.00 0.00 C ATOM 560 CG ASN A 42 -11.932 -13.775 -4.338 1.00 0.00 C ATOM 561 OD1 ASN A 42 -10.812 -14.141 -4.694 1.00 0.00 O ATOM 562 ND2 ASN A 42 -13.045 -14.375 -4.744 1.00 0.00 N ATOM 0 H ASN A 42 -10.398 -11.005 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.327 -11.287 -4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.219 -12.508 -2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.949 -12.785 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.992 -15.173 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.952 -14.037 -4.423 1.00 0.00 H new ATOM 569 N GLU A 43 -13.076 -10.128 -2.148 1.00 0.00 N ATOM 570 CA GLU A 43 -13.085 -9.065 -1.150 1.00 0.00 C ATOM 571 C GLU A 43 -11.669 -8.748 -0.679 1.00 0.00 C ATOM 572 O GLU A 43 -11.353 -7.604 -0.350 1.00 0.00 O ATOM 573 CB GLU A 43 -13.954 -9.465 0.045 1.00 0.00 C ATOM 574 CG GLU A 43 -13.471 -10.719 0.755 1.00 0.00 C ATOM 575 CD GLU A 43 -14.044 -11.988 0.154 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.269 -12.032 -0.084 1.00 0.00 O ATOM 577 OE2 GLU A 43 -13.266 -12.937 -0.079 1.00 0.00 O ATOM 0 H GLU A 43 -13.760 -10.867 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.504 -8.171 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.979 -8.641 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.977 -9.622 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.383 -10.760 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.746 -10.664 1.808 1.00 0.00 H new ATOM 584 N LYS A 44 -10.819 -9.768 -0.651 1.00 0.00 N ATOM 585 CA LYS A 44 -9.435 -9.601 -0.222 1.00 0.00 C ATOM 586 C LYS A 44 -8.749 -8.495 -1.018 1.00 0.00 C ATOM 587 O LYS A 44 -8.395 -7.452 -0.470 1.00 0.00 O ATOM 588 CB LYS A 44 -8.667 -10.914 -0.385 1.00 0.00 C ATOM 589 CG LYS A 44 -8.798 -11.847 0.806 1.00 0.00 C ATOM 590 CD LYS A 44 -7.691 -11.617 1.821 1.00 0.00 C ATOM 591 CE LYS A 44 -8.095 -10.584 2.862 1.00 0.00 C ATOM 592 NZ LYS A 44 -9.363 -10.955 3.548 1.00 0.00 N ATOM 0 H LYS A 44 -11.064 -10.721 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.438 -9.318 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.025 -11.426 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.612 -10.691 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.767 -11.696 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.769 -12.881 0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.448 -12.558 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.789 -11.284 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.299 -10.482 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.212 -9.612 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.386 -10.522 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.172 -10.613 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.418 -11.989 3.640 1.00 0.00 H new ATOM 606 N GLU A 45 -8.566 -8.732 -2.313 1.00 0.00 N ATOM 607 CA GLU A 45 -7.922 -7.755 -3.184 1.00 0.00 C ATOM 608 C GLU A 45 -8.771 -6.492 -3.306 1.00 0.00 C ATOM 609 O GLU A 45 -8.252 -5.376 -3.281 1.00 0.00 O ATOM 610 CB GLU A 45 -7.680 -8.355 -4.570 1.00 0.00 C ATOM 611 CG GLU A 45 -7.023 -9.725 -4.534 1.00 0.00 C ATOM 612 CD GLU A 45 -7.306 -10.541 -5.780 1.00 0.00 C ATOM 613 OE1 GLU A 45 -6.772 -10.191 -6.853 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.062 -11.530 -5.681 1.00 0.00 O ATOM 0 H GLU A 45 -8.854 -9.591 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.963 -7.487 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.632 -8.432 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.052 -7.675 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.946 -9.604 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.377 -10.270 -3.659 1.00 0.00 H new ATOM 621 N LYS A 46 -10.080 -6.677 -3.438 1.00 0.00 N ATOM 622 CA LYS A 46 -11.003 -5.555 -3.564 1.00 0.00 C ATOM 623 C LYS A 46 -10.743 -4.513 -2.480 1.00 0.00 C ATOM 624 O LYS A 46 -10.818 -3.311 -2.733 1.00 0.00 O ATOM 625 CB LYS A 46 -12.450 -6.046 -3.477 1.00 0.00 C ATOM 626 CG LYS A 46 -13.049 -6.415 -4.823 1.00 0.00 C ATOM 627 CD LYS A 46 -14.262 -7.316 -4.666 1.00 0.00 C ATOM 628 CE LYS A 46 -15.531 -6.507 -4.439 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.738 -7.376 -4.375 1.00 0.00 N ATOM 0 H LYS A 46 -10.526 -7.594 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.841 -5.091 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.491 -6.915 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.061 -5.269 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.335 -5.508 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.297 -6.918 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.377 -7.932 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.107 -7.994 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.441 -5.942 -3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.648 -5.781 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.581 -6.788 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.839 -7.896 -5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.638 -8.052 -3.591 1.00 0.00 H new ATOM 643 N GLU A 47 -10.436 -4.983 -1.275 1.00 0.00 N ATOM 644 CA GLU A 47 -10.165 -4.090 -0.155 1.00 0.00 C ATOM 645 C GLU A 47 -9.022 -3.135 -0.485 1.00 0.00 C ATOM 646 O GLU A 47 -9.010 -1.986 -0.042 1.00 0.00 O ATOM 647 CB GLU A 47 -9.822 -4.898 1.099 1.00 0.00 C ATOM 648 CG GLU A 47 -9.045 -4.109 2.138 1.00 0.00 C ATOM 649 CD GLU A 47 -9.069 -4.764 3.506 1.00 0.00 C ATOM 650 OE1 GLU A 47 -8.571 -5.903 3.628 1.00 0.00 O ATOM 651 OE2 GLU A 47 -9.585 -4.137 4.454 1.00 0.00 O ATOM 0 H GLU A 47 -10.369 -5.976 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.064 -3.503 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.745 -5.264 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.240 -5.773 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.011 -4.001 1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.462 -3.105 2.213 1.00 0.00 H new ATOM 658 N LEU A 48 -8.062 -3.618 -1.265 1.00 0.00 N ATOM 659 CA LEU A 48 -6.913 -2.808 -1.656 1.00 0.00 C ATOM 660 C LEU A 48 -7.307 -1.773 -2.704 1.00 0.00 C ATOM 661 O LEU A 48 -6.868 -0.623 -2.652 1.00 0.00 O ATOM 662 CB LEU A 48 -5.796 -3.701 -2.199 1.00 0.00 C ATOM 663 CG LEU A 48 -4.841 -4.290 -1.160 1.00 0.00 C ATOM 664 CD1 LEU A 48 -4.113 -5.498 -1.728 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.848 -3.237 -0.691 1.00 0.00 C ATOM 0 H LEU A 48 -8.056 -4.567 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.553 -2.283 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.252 -4.523 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.211 -3.122 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.426 -4.616 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.438 -5.904 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.839 -6.260 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.539 -5.198 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.176 -3.674 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.268 -2.879 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.387 -2.402 -0.243 1.00 0.00 H new ATOM 677 N CYS A 49 -8.140 -2.187 -3.653 1.00 0.00 N ATOM 678 CA CYS A 49 -8.595 -1.295 -4.713 1.00 0.00 C ATOM 679 C CYS A 49 -9.211 -0.027 -4.130 1.00 0.00 C ATOM 680 O CYS A 49 -8.983 1.073 -4.632 1.00 0.00 O ATOM 681 CB CYS A 49 -9.612 -2.007 -5.606 1.00 0.00 C ATOM 682 SG CYS A 49 -8.944 -3.433 -6.494 1.00 0.00 S ATOM 0 H CYS A 49 -8.514 -3.134 -3.710 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.730 -1.014 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.451 -2.335 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.006 -1.294 -6.330 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.822 -4.392 -6.499 1.00 0.00 H new ATOM 688 N GLN A 50 -9.995 -0.191 -3.069 1.00 0.00 N ATOM 689 CA GLN A 50 -10.646 0.940 -2.419 1.00 0.00 C ATOM 690 C GLN A 50 -9.632 1.791 -1.661 1.00 0.00 C ATOM 691 O GLN A 50 -9.404 2.952 -2.000 1.00 0.00 O ATOM 692 CB GLN A 50 -11.734 0.449 -1.462 1.00 0.00 C ATOM 693 CG GLN A 50 -12.705 -0.533 -2.097 1.00 0.00 C ATOM 694 CD GLN A 50 -13.988 -0.680 -1.305 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.755 0.273 -1.160 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.231 -1.878 -0.786 1.00 0.00 N ATOM 0 H GLN A 50 -10.194 -1.095 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 50 -11.104 1.556 -3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.262 -0.025 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.291 1.308 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.943 -0.201 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.224 -1.507 -2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.569 -2.640 -0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.080 -2.036 -0.243 1.00 0.00 H new ATOM 705 N VAL A 51 -9.026 1.205 -0.634 1.00 0.00 N ATOM 706 CA VAL A 51 -8.035 1.908 0.172 1.00 0.00 C ATOM 707 C VAL A 51 -6.955 2.532 -0.706 1.00 0.00 C ATOM 708 O VAL A 51 -6.705 3.735 -0.640 1.00 0.00 O ATOM 709 CB VAL A 51 -7.370 0.966 1.193 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.266 1.691 1.949 1.00 0.00 C ATOM 711 CG2 VAL A 51 -8.407 0.407 2.155 1.00 0.00 C ATOM 0 H VAL A 51 -9.204 0.245 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.565 2.696 0.708 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.921 0.132 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.808 1.010 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.510 2.039 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.688 2.545 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.920 -0.257 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.887 1.227 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.159 -0.151 1.596 1.00 0.00 H new ATOM 721 N VAL A 52 -6.317 1.704 -1.528 1.00 0.00 N ATOM 722 CA VAL A 52 -5.265 2.174 -2.420 1.00 0.00 C ATOM 723 C VAL A 52 -5.846 2.975 -3.581 1.00 0.00 C ATOM 724 O VAL A 52 -5.116 3.641 -4.315 1.00 0.00 O ATOM 725 CB VAL A 52 -4.440 1.001 -2.982 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.108 1.496 -3.524 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.229 -0.061 -1.914 1.00 0.00 C ATOM 0 H VAL A 52 -6.511 0.705 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.613 2.817 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.995 0.551 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.539 0.653 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.285 2.217 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.544 1.973 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.644 -0.882 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.696 0.374 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.196 -0.437 -1.579 1.00 0.00 H new ATOM 737 N ARG A 53 -7.163 2.905 -3.740 1.00 0.00 N ATOM 738 CA ARG A 53 -7.842 3.623 -4.812 1.00 0.00 C ATOM 739 C ARG A 53 -7.284 3.221 -6.174 1.00 0.00 C ATOM 740 O ARG A 53 -6.884 4.073 -6.969 1.00 0.00 O ATOM 741 CB ARG A 53 -7.698 5.133 -4.615 1.00 0.00 C ATOM 742 CG ARG A 53 -8.370 5.649 -3.353 1.00 0.00 C ATOM 743 CD ARG A 53 -7.657 6.875 -2.804 1.00 0.00 C ATOM 744 NE ARG A 53 -8.569 7.767 -2.094 1.00 0.00 N ATOM 745 CZ ARG A 53 -8.170 8.678 -1.213 1.00 0.00 C ATOM 746 NH1 ARG A 53 -6.881 8.816 -0.936 1.00 0.00 N ATOM 747 NH2 ARG A 53 -9.061 9.453 -0.608 1.00 0.00 N ATOM 0 H ARG A 53 -7.781 2.359 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.899 3.359 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.639 5.387 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.122 5.646 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.409 5.897 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.380 4.863 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.861 6.559 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.185 7.417 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.568 7.686 -2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.193 8.222 -1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.577 9.516 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.054 9.350 -0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.753 10.152 0.068 1.00 0.00 H new ATOM 761 N LEU A 54 -7.260 1.919 -6.437 1.00 0.00 N ATOM 762 CA LEU A 54 -6.750 1.404 -7.703 1.00 0.00 C ATOM 763 C LEU A 54 -7.775 0.495 -8.373 1.00 0.00 C ATOM 764 O LEU A 54 -8.467 -0.276 -7.707 1.00 0.00 O ATOM 765 CB LEU A 54 -5.444 0.640 -7.477 1.00 0.00 C ATOM 766 CG LEU A 54 -4.459 0.633 -8.646 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.180 -0.095 -8.262 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.091 -0.006 -9.873 1.00 0.00 C ATOM 0 H LEU A 54 -7.588 1.201 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.558 2.252 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.943 1.067 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.689 -0.393 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.206 1.665 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.491 -0.090 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.717 0.407 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.415 -1.124 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.375 -0.002 -10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.374 -1.033 -9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.978 0.559 -10.161 1.00 0.00 H new ATOM 780 N VAL A 55 -7.866 0.588 -9.696 1.00 0.00 N ATOM 781 CA VAL A 55 -8.804 -0.228 -10.457 1.00 0.00 C ATOM 782 C VAL A 55 -8.546 -1.714 -10.234 1.00 0.00 C ATOM 783 O VAL A 55 -7.406 -2.179 -10.236 1.00 0.00 O ATOM 784 CB VAL A 55 -8.718 0.076 -11.964 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.583 -0.894 -12.756 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.127 1.515 -12.241 1.00 0.00 C ATOM 0 H VAL A 55 -7.301 1.221 -10.263 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.803 0.022 -10.100 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.684 -0.053 -12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.509 -0.663 -13.819 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.240 -1.914 -12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.621 -0.801 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.060 1.713 -13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.152 1.673 -11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.462 2.192 -11.705 1.00 0.00 H new ATOM 796 N PRO A 56 -9.630 -2.480 -10.038 1.00 0.00 N ATOM 797 CA PRO A 56 -9.547 -3.926 -9.811 1.00 0.00 C ATOM 798 C PRO A 56 -9.116 -4.685 -11.061 1.00 0.00 C ATOM 799 O PRO A 56 -8.302 -5.604 -10.991 1.00 0.00 O ATOM 800 CB PRO A 56 -10.977 -4.306 -9.420 1.00 0.00 C ATOM 801 CG PRO A 56 -11.832 -3.259 -10.046 1.00 0.00 C ATOM 802 CD PRO A 56 -11.020 -1.993 -10.023 1.00 0.00 C ATOM 0 HA PRO A 56 -8.803 -4.178 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.237 -5.300 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.100 -4.322 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.100 -3.533 -11.067 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.764 -3.135 -9.494 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.234 -1.362 -10.886 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.228 -1.398 -9.134 1.00 0.00 H new ATOM 810 N GLY A 57 -9.668 -4.294 -12.205 1.00 0.00 N ATOM 811 CA GLY A 57 -9.328 -4.948 -13.455 1.00 0.00 C ATOM 812 C GLY A 57 -7.855 -4.830 -13.789 1.00 0.00 C ATOM 813 O GLY A 57 -7.306 -5.663 -14.510 1.00 0.00 O ATOM 0 H GLY A 57 -10.345 -3.536 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.601 -6.002 -13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.916 -4.511 -14.262 1.00 0.00 H new ATOM 817 N ALA A 58 -7.212 -3.792 -13.265 1.00 0.00 N ATOM 818 CA ALA A 58 -5.793 -3.568 -13.512 1.00 0.00 C ATOM 819 C ALA A 58 -4.939 -4.211 -12.425 1.00 0.00 C ATOM 820 O ALA A 58 -3.877 -4.768 -12.704 1.00 0.00 O ATOM 821 CB ALA A 58 -5.502 -2.077 -13.602 1.00 0.00 C ATOM 0 H ALA A 58 -7.651 -3.093 -12.667 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.536 -4.035 -14.463 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.439 -1.924 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.078 -1.642 -14.419 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.780 -1.595 -12.665 1.00 0.00 H new ATOM 827 N TYR A 59 -5.408 -4.129 -11.185 1.00 0.00 N ATOM 828 CA TYR A 59 -4.685 -4.700 -10.055 1.00 0.00 C ATOM 829 C TYR A 59 -4.368 -6.172 -10.299 1.00 0.00 C ATOM 830 O TYR A 59 -3.435 -6.724 -9.714 1.00 0.00 O ATOM 831 CB TYR A 59 -5.503 -4.550 -8.771 1.00 0.00 C ATOM 832 CG TYR A 59 -5.005 -5.411 -7.631 1.00 0.00 C ATOM 833 CD1 TYR A 59 -5.459 -6.714 -7.469 1.00 0.00 C ATOM 834 CD2 TYR A 59 -4.080 -4.921 -6.718 1.00 0.00 C ATOM 835 CE1 TYR A 59 -5.008 -7.503 -6.430 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.622 -5.704 -5.676 1.00 0.00 C ATOM 837 CZ TYR A 59 -4.089 -6.994 -5.536 1.00 0.00 C ATOM 838 OH TYR A 59 -3.636 -7.778 -4.500 1.00 0.00 O ATOM 0 H TYR A 59 -6.286 -3.673 -10.937 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.746 -4.158 -9.946 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.487 -3.505 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.542 -4.804 -8.980 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.177 -7.117 -8.168 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.713 -3.911 -6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.373 -8.513 -6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.902 -5.308 -4.975 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.993 -7.270 -3.963 1.00 0.00 H new ATOM 848 N LEU A 60 -5.150 -6.803 -11.168 1.00 0.00 N ATOM 849 CA LEU A 60 -4.953 -8.211 -11.493 1.00 0.00 C ATOM 850 C LEU A 60 -3.813 -8.386 -12.491 1.00 0.00 C ATOM 851 O LEU A 60 -3.062 -9.359 -12.425 1.00 0.00 O ATOM 852 CB LEU A 60 -6.241 -8.809 -12.062 1.00 0.00 C ATOM 853 CG LEU A 60 -7.457 -8.791 -11.134 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.704 -9.238 -11.881 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.213 -9.676 -9.921 1.00 0.00 C ATOM 0 H LEU A 60 -5.927 -6.362 -11.660 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.691 -8.736 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.497 -8.269 -12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.043 -9.842 -12.348 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.613 -7.769 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.559 -9.219 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.888 -8.564 -12.718 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.560 -10.251 -12.256 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.088 -9.652 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.032 -10.700 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.344 -9.311 -9.373 1.00 0.00 H new ATOM 867 N GLU A 61 -3.690 -7.437 -13.413 1.00 0.00 N ATOM 868 CA GLU A 61 -2.641 -7.486 -14.424 1.00 0.00 C ATOM 869 C GLU A 61 -1.263 -7.335 -13.786 1.00 0.00 C ATOM 870 O GLU A 61 -0.265 -7.827 -14.314 1.00 0.00 O ATOM 871 CB GLU A 61 -2.855 -6.388 -15.468 1.00 0.00 C ATOM 872 CG GLU A 61 -3.737 -6.815 -16.629 1.00 0.00 C ATOM 873 CD GLU A 61 -4.473 -5.650 -17.262 1.00 0.00 C ATOM 874 OE1 GLU A 61 -5.547 -5.275 -16.746 1.00 0.00 O ATOM 875 OE2 GLU A 61 -3.974 -5.112 -18.273 1.00 0.00 O ATOM 0 H GLU A 61 -4.304 -6.625 -13.481 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.691 -8.458 -14.915 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.302 -5.520 -14.983 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.886 -6.073 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.124 -7.306 -17.385 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.461 -7.550 -16.279 1.00 0.00 H new ATOM 882 N TYR A 62 -1.217 -6.651 -12.648 1.00 0.00 N ATOM 883 CA TYR A 62 0.038 -6.432 -11.939 1.00 0.00 C ATOM 884 C TYR A 62 0.446 -7.677 -11.156 1.00 0.00 C ATOM 885 O TYR A 62 1.633 -7.960 -10.990 1.00 0.00 O ATOM 886 CB TYR A 62 -0.090 -5.239 -10.990 1.00 0.00 C ATOM 887 CG TYR A 62 -0.674 -4.006 -11.643 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.611 -3.830 -13.020 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.289 -3.019 -10.883 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.143 -2.705 -13.620 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.825 -1.892 -11.475 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.749 -1.739 -12.844 1.00 0.00 C ATOM 893 OH TYR A 62 -2.281 -0.618 -13.438 1.00 0.00 O ATOM 0 H TYR A 62 -2.034 -6.239 -12.197 1.00 0.00 H new ATOM 0 HA TYR A 62 0.811 -6.220 -12.678 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.716 -5.523 -10.145 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.894 -4.996 -10.590 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.139 -4.585 -13.631 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.349 -3.135 -9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.085 -2.583 -14.691 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.301 -1.135 -10.870 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.671 -0.038 -12.751 1.00 0.00 H new ATOM 903 N LYS A 63 -0.547 -8.418 -10.677 1.00 0.00 N ATOM 904 CA LYS A 63 -0.295 -9.634 -9.913 1.00 0.00 C ATOM 905 C LYS A 63 0.613 -10.585 -10.687 1.00 0.00 C ATOM 906 O LYS A 63 1.564 -11.136 -10.135 1.00 0.00 O ATOM 907 CB LYS A 63 -1.615 -10.332 -9.577 1.00 0.00 C ATOM 908 CG LYS A 63 -2.533 -9.505 -8.693 1.00 0.00 C ATOM 909 CD LYS A 63 -2.276 -9.771 -7.219 1.00 0.00 C ATOM 910 CE LYS A 63 -2.873 -11.099 -6.780 1.00 0.00 C ATOM 911 NZ LYS A 63 -4.314 -10.969 -6.427 1.00 0.00 N ATOM 0 H LYS A 63 -1.535 -8.198 -10.804 1.00 0.00 H new ATOM 0 HA LYS A 63 0.207 -9.354 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.136 -10.571 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.400 -11.277 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.385 -8.446 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.572 -9.735 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.202 -9.773 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.703 -8.964 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.760 -11.830 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.321 -11.479 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.755 -11.911 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.403 -10.532 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.792 -10.373 -7.133 1.00 0.00 H new ATOM 925 N SER A 64 0.313 -10.770 -11.968 1.00 0.00 N ATOM 926 CA SER A 64 1.100 -11.656 -12.817 1.00 0.00 C ATOM 927 C SER A 64 2.504 -11.097 -13.030 1.00 0.00 C ATOM 928 O SER A 64 3.497 -11.806 -12.866 1.00 0.00 O ATOM 929 CB SER A 64 0.408 -11.852 -14.167 1.00 0.00 C ATOM 930 OG SER A 64 -0.610 -12.834 -14.080 1.00 0.00 O ATOM 0 H SER A 64 -0.470 -10.318 -12.441 1.00 0.00 H new ATOM 0 HA SER A 64 1.182 -12.620 -12.316 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.021 -10.907 -14.500 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.142 -12.150 -14.916 1.00 0.00 H new ATOM 0 HG SER A 64 -1.038 -12.940 -14.955 1.00 0.00 H new ATOM 936 N ALA A 65 2.578 -9.822 -13.396 1.00 0.00 N ATOM 937 CA ALA A 65 3.859 -9.167 -13.630 1.00 0.00 C ATOM 938 C ALA A 65 4.767 -9.286 -12.411 1.00 0.00 C ATOM 939 O ALA A 65 5.848 -9.872 -12.484 1.00 0.00 O ATOM 940 CB ALA A 65 3.646 -7.704 -13.990 1.00 0.00 C ATOM 0 H ALA A 65 1.766 -9.222 -13.537 1.00 0.00 H new ATOM 0 HA ALA A 65 4.348 -9.668 -14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.611 -7.227 -14.162 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.041 -7.636 -14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.133 -7.199 -13.172 1.00 0.00 H new ATOM 946 N LEU A 66 4.322 -8.728 -11.290 1.00 0.00 N ATOM 947 CA LEU A 66 5.095 -8.772 -10.054 1.00 0.00 C ATOM 948 C LEU A 66 5.565 -10.192 -9.756 1.00 0.00 C ATOM 949 O LEU A 66 6.699 -10.404 -9.324 1.00 0.00 O ATOM 950 CB LEU A 66 4.258 -8.244 -8.887 1.00 0.00 C ATOM 951 CG LEU A 66 4.005 -6.736 -8.872 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.582 -6.280 -7.484 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.245 -5.982 -9.328 1.00 0.00 C ATOM 0 H LEU A 66 3.430 -8.240 -11.212 1.00 0.00 H new ATOM 0 HA LEU A 66 5.972 -8.138 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.295 -8.754 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.755 -8.518 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 66 3.195 -6.516 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.406 -5.204 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.666 -6.795 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.370 -6.513 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.046 -4.910 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.075 -6.208 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.504 -6.287 -10.342 1.00 0.00 H new ATOM 965 N LEU A 67 4.688 -11.161 -9.990 1.00 0.00 N ATOM 966 CA LEU A 67 5.014 -12.563 -9.748 1.00 0.00 C ATOM 967 C LEU A 67 5.793 -13.150 -10.921 1.00 0.00 C ATOM 968 O LEU A 67 6.367 -14.233 -10.816 1.00 0.00 O ATOM 969 CB LEU A 67 3.736 -13.371 -9.515 1.00 0.00 C ATOM 970 CG LEU A 67 2.990 -13.084 -8.211 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.543 -13.542 -8.313 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.684 -13.760 -7.039 1.00 0.00 C ATOM 0 H LEU A 67 3.746 -11.003 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 67 5.639 -12.617 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.057 -13.187 -10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.990 -14.431 -9.539 1.00 0.00 H new ATOM 0 HG LEU A 67 2.998 -12.008 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.027 -13.330 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.050 -13.011 -9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.514 -14.614 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.139 -13.545 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.708 -14.837 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.703 -13.383 -6.953 1.00 0.00 H new ATOM 984 N ASN A 68 5.811 -12.426 -12.035 1.00 0.00 N ATOM 985 CA ASN A 68 6.521 -12.875 -13.227 1.00 0.00 C ATOM 986 C ASN A 68 8.025 -12.930 -12.975 1.00 0.00 C ATOM 987 O ASN A 68 8.624 -14.005 -12.967 1.00 0.00 O ATOM 988 CB ASN A 68 6.224 -11.945 -14.405 1.00 0.00 C ATOM 989 CG ASN A 68 6.280 -12.664 -15.738 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.324 -12.705 -16.390 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.155 -13.236 -16.151 1.00 0.00 N ATOM 0 H ASN A 68 5.342 -11.526 -12.137 1.00 0.00 H new ATOM 0 HA ASN A 68 6.173 -13.879 -13.470 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.236 -11.503 -14.275 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.942 -11.125 -14.407 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.133 -13.734 -17.041 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.313 -13.177 -15.578 1.00 0.00 H new ATOM 998 N GLU A 69 8.628 -11.763 -12.770 1.00 0.00 N ATOM 999 CA GLU A 69 10.062 -11.679 -12.518 1.00 0.00 C ATOM 1000 C GLU A 69 10.426 -12.373 -11.209 1.00 0.00 C ATOM 1001 O GLU A 69 11.324 -13.215 -11.170 1.00 0.00 O ATOM 1002 CB GLU A 69 10.509 -10.216 -12.474 1.00 0.00 C ATOM 1003 CG GLU A 69 9.765 -9.322 -13.451 1.00 0.00 C ATOM 1004 CD GLU A 69 10.608 -8.159 -13.937 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.186 -7.449 -13.089 1.00 0.00 O ATOM 1006 OE2 GLU A 69 10.690 -7.961 -15.168 1.00 0.00 O ATOM 0 H GLU A 69 8.146 -10.864 -12.773 1.00 0.00 H new ATOM 0 HA GLU A 69 10.579 -12.185 -13.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.368 -9.832 -11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.576 -10.165 -12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.443 -9.915 -14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.864 -8.938 -12.972 1.00 0.00 H new ATOM 1013 N CYS A 70 9.724 -12.014 -10.141 1.00 0.00 N ATOM 1014 CA CYS A 70 9.974 -12.602 -8.829 1.00 0.00 C ATOM 1015 C CYS A 70 9.995 -14.124 -8.910 1.00 0.00 C ATOM 1016 O CYS A 70 10.497 -14.798 -8.010 1.00 0.00 O ATOM 1017 CB CYS A 70 8.906 -12.147 -7.832 1.00 0.00 C ATOM 1018 SG CYS A 70 9.181 -12.727 -6.142 1.00 0.00 S ATOM 0 H CYS A 70 8.977 -11.319 -10.157 1.00 0.00 H new ATOM 0 HA CYS A 70 10.951 -12.261 -8.486 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.867 -11.058 -7.829 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.932 -12.500 -8.172 1.00 0.00 H new ATOM 0 HG CYS A 70 9.847 -13.843 -6.169 1.00 0.00 H new ATOM 1024 N HIS A 71 9.446 -14.662 -9.995 1.00 0.00 N ATOM 1025 CA HIS A 71 9.402 -16.106 -10.194 1.00 0.00 C ATOM 1026 C HIS A 71 10.673 -16.600 -10.879 1.00 0.00 C ATOM 1027 O HIS A 71 11.134 -17.713 -10.626 1.00 0.00 O ATOM 1028 CB HIS A 71 8.178 -16.490 -11.026 1.00 0.00 C ATOM 1029 CG HIS A 71 6.940 -16.697 -10.210 1.00 0.00 C ATOM 1030 ND1 HIS A 71 5.875 -17.462 -10.638 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.600 -16.236 -8.983 1.00 0.00 C ATOM 1032 CE1 HIS A 71 4.933 -17.460 -9.711 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.349 -16.724 -8.696 1.00 0.00 N ATOM 0 H HIS A 71 9.026 -14.119 -10.749 1.00 0.00 H new ATOM 0 HA HIS A 71 9.331 -16.581 -9.215 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.991 -15.709 -11.763 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.396 -17.404 -11.578 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.823 -17.953 -11.531 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.201 -15.602 -8.348 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.985 -17.973 -9.773 1.00 0.00 H new ATOM 1042 N LYS A 72 11.234 -15.765 -11.747 1.00 0.00 N ATOM 1043 CA LYS A 72 12.451 -16.115 -12.468 1.00 0.00 C ATOM 1044 C LYS A 72 13.687 -15.840 -11.617 1.00 0.00 C ATOM 1045 O LYS A 72 14.599 -16.663 -11.549 1.00 0.00 O ATOM 1046 CB LYS A 72 12.536 -15.329 -13.779 1.00 0.00 C ATOM 1047 CG LYS A 72 11.209 -15.217 -14.508 1.00 0.00 C ATOM 1048 CD LYS A 72 11.250 -14.139 -15.578 1.00 0.00 C ATOM 1049 CE LYS A 72 9.885 -13.497 -15.776 1.00 0.00 C ATOM 1050 NZ LYS A 72 9.691 -13.027 -17.175 1.00 0.00 N ATOM 0 H LYS A 72 10.864 -14.840 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 72 12.416 -17.181 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.911 -14.327 -13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.262 -15.810 -14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.962 -16.175 -14.965 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.418 -14.991 -13.793 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.975 -13.375 -15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.590 -14.572 -16.519 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.106 -14.216 -15.523 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.777 -12.655 -15.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.685 -12.817 -17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.254 -12.167 -17.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.998 -13.769 -17.836 1.00 0.00 H new ATOM 1064 N GLN A 73 13.707 -14.680 -10.969 1.00 0.00 N ATOM 1065 CA GLN A 73 14.830 -14.298 -10.122 1.00 0.00 C ATOM 1066 C GLN A 73 14.640 -14.817 -8.700 1.00 0.00 C ATOM 1067 O GLN A 73 15.587 -15.281 -8.066 1.00 0.00 O ATOM 1068 CB GLN A 73 14.990 -12.777 -10.105 1.00 0.00 C ATOM 1069 CG GLN A 73 14.661 -12.116 -11.434 1.00 0.00 C ATOM 1070 CD GLN A 73 14.592 -10.605 -11.333 1.00 0.00 C ATOM 1071 OE1 GLN A 73 15.189 -10.003 -10.440 1.00 0.00 O ATOM 1072 NE2 GLN A 73 13.860 -9.983 -12.250 1.00 0.00 N ATOM 0 H GLN A 73 12.958 -13.989 -11.014 1.00 0.00 H new ATOM 0 HA GLN A 73 15.733 -14.746 -10.536 1.00 0.00 H new ATOM 0 HB2 GLN A 73 14.344 -12.361 -9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 73 16.016 -12.531 -9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.416 -12.393 -12.170 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.706 -12.496 -11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.382 -10.522 -12.972 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.776 -8.967 -12.232 1.00 0.00 H new ATOM 1081 N GLY A 74 13.409 -14.735 -8.204 1.00 0.00 N ATOM 1082 CA GLY A 74 13.118 -15.199 -6.861 1.00 0.00 C ATOM 1083 C GLY A 74 13.106 -14.072 -5.847 1.00 0.00 C ATOM 1084 O GLY A 74 12.785 -14.282 -4.678 1.00 0.00 O ATOM 0 H GLY A 74 12.608 -14.355 -8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.150 -15.699 -6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.861 -15.940 -6.567 1.00 0.00 H new ATOM 1088 N GLY A 75 13.458 -12.871 -6.296 1.00 0.00 N ATOM 1089 CA GLY A 75 13.482 -11.724 -5.407 1.00 0.00 C ATOM 1090 C GLY A 75 13.088 -10.439 -6.107 1.00 0.00 C ATOM 1091 O GLY A 75 13.678 -10.071 -7.124 1.00 0.00 O ATOM 0 H GLY A 75 13.727 -12.672 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.804 -11.901 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.482 -11.614 -4.988 1.00 0.00 H new ATOM 1095 N LEU A 76 12.086 -9.754 -5.565 1.00 0.00 N ATOM 1096 CA LEU A 76 11.613 -8.503 -6.146 1.00 0.00 C ATOM 1097 C LEU A 76 11.496 -7.418 -5.080 1.00 0.00 C ATOM 1098 O LEU A 76 10.862 -7.617 -4.044 1.00 0.00 O ATOM 1099 CB LEU A 76 10.259 -8.714 -6.826 1.00 0.00 C ATOM 1100 CG LEU A 76 9.933 -7.767 -7.981 1.00 0.00 C ATOM 1101 CD1 LEU A 76 10.755 -8.123 -9.211 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.446 -7.807 -8.301 1.00 0.00 C ATOM 0 H LEU A 76 11.586 -10.044 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 76 12.340 -8.178 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.218 -9.737 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.478 -8.618 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 76 10.191 -6.752 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.510 -7.439 -10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.816 -8.041 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.529 -9.144 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.233 -7.127 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.162 -8.821 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.877 -7.502 -7.423 1.00 0.00 H new ATOM 1114 N ARG A 77 12.110 -6.269 -5.343 1.00 0.00 N ATOM 1115 CA ARG A 77 12.074 -5.152 -4.407 1.00 0.00 C ATOM 1116 C ARG A 77 11.191 -4.026 -4.937 1.00 0.00 C ATOM 1117 O ARG A 77 11.079 -3.829 -6.148 1.00 0.00 O ATOM 1118 CB ARG A 77 13.489 -4.628 -4.151 1.00 0.00 C ATOM 1119 CG ARG A 77 14.195 -4.142 -5.406 1.00 0.00 C ATOM 1120 CD ARG A 77 15.330 -3.187 -5.072 1.00 0.00 C ATOM 1121 NE ARG A 77 16.056 -2.761 -6.266 1.00 0.00 N ATOM 1122 CZ ARG A 77 17.225 -2.132 -6.230 1.00 0.00 C ATOM 1123 NH1 ARG A 77 17.798 -1.857 -5.066 1.00 0.00 N ATOM 1124 NH2 ARG A 77 17.823 -1.776 -7.360 1.00 0.00 N ATOM 0 H ARG A 77 12.638 -6.087 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 77 11.651 -5.510 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.440 -3.810 -3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.083 -5.419 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.587 -4.996 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.478 -3.643 -6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.929 -2.312 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 77 16.020 -3.672 -4.382 1.00 0.00 H new ATOM 0 HE ARG A 77 15.642 -2.957 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.341 -2.129 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.696 -1.374 -5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.385 -1.985 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.721 -1.293 -7.332 1.00 0.00 H new ATOM 1138 N LEU A 78 10.566 -3.291 -4.024 1.00 0.00 N ATOM 1139 CA LEU A 78 9.692 -2.185 -4.399 1.00 0.00 C ATOM 1140 C LEU A 78 10.217 -1.475 -5.643 1.00 0.00 C ATOM 1141 O LEU A 78 9.528 -1.391 -6.659 1.00 0.00 O ATOM 1142 CB LEU A 78 9.571 -1.191 -3.243 1.00 0.00 C ATOM 1143 CG LEU A 78 8.647 0.004 -3.481 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.191 -0.408 -3.330 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.984 1.138 -2.522 1.00 0.00 C ATOM 0 H LEU A 78 10.648 -3.441 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 78 8.706 -2.592 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.218 -1.729 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.566 -0.814 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 78 8.799 0.359 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.549 0.456 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.956 -1.186 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.023 -0.789 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.317 1.980 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.861 0.795 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.016 1.452 -2.678 1.00 0.00 H new ATOM 1157 N ALA A 79 11.442 -0.966 -5.556 1.00 0.00 N ATOM 1158 CA ALA A 79 12.060 -0.267 -6.675 1.00 0.00 C ATOM 1159 C ALA A 79 11.648 -0.888 -8.005 1.00 0.00 C ATOM 1160 O ALA A 79 11.179 -0.193 -8.906 1.00 0.00 O ATOM 1161 CB ALA A 79 13.575 -0.277 -6.532 1.00 0.00 C ATOM 0 H ALA A 79 12.026 -1.025 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 79 11.712 0.766 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.024 0.249 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.856 0.220 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.932 -1.307 -6.515 1.00 0.00 H new ATOM 1167 N GLN A 80 11.828 -2.200 -8.122 1.00 0.00 N ATOM 1168 CA GLN A 80 11.477 -2.914 -9.343 1.00 0.00 C ATOM 1169 C GLN A 80 9.963 -3.019 -9.495 1.00 0.00 C ATOM 1170 O GLN A 80 9.428 -2.879 -10.595 1.00 0.00 O ATOM 1171 CB GLN A 80 12.100 -4.311 -9.341 1.00 0.00 C ATOM 1172 CG GLN A 80 13.564 -4.323 -8.933 1.00 0.00 C ATOM 1173 CD GLN A 80 14.342 -5.448 -9.587 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.908 -6.304 -8.906 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.376 -5.451 -10.914 1.00 0.00 N ATOM 0 H GLN A 80 12.215 -2.790 -7.385 1.00 0.00 H new ATOM 0 HA GLN A 80 11.871 -2.351 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.537 -4.950 -8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.005 -4.744 -10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.019 -3.369 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.635 -4.419 -7.850 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.892 -4.722 -11.438 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.886 -6.183 -11.409 1.00 0.00 H new ATOM 1184 N ALA A 81 9.278 -3.269 -8.384 1.00 0.00 N ATOM 1185 CA ALA A 81 7.825 -3.392 -8.394 1.00 0.00 C ATOM 1186 C ALA A 81 7.178 -2.204 -9.097 1.00 0.00 C ATOM 1187 O ALA A 81 6.470 -2.369 -10.091 1.00 0.00 O ATOM 1188 CB ALA A 81 7.297 -3.518 -6.972 1.00 0.00 C ATOM 0 H ALA A 81 9.705 -3.390 -7.466 1.00 0.00 H new ATOM 0 HA ALA A 81 7.565 -4.294 -8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.211 -3.609 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.726 -4.403 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.575 -2.632 -6.401 1.00 0.00 H new ATOM 1194 N ARG A 82 7.425 -1.007 -8.576 1.00 0.00 N ATOM 1195 CA ARG A 82 6.865 0.209 -9.153 1.00 0.00 C ATOM 1196 C ARG A 82 7.277 0.356 -10.615 1.00 0.00 C ATOM 1197 O ARG A 82 6.637 1.077 -11.381 1.00 0.00 O ATOM 1198 CB ARG A 82 7.320 1.434 -8.358 1.00 0.00 C ATOM 1199 CG ARG A 82 8.626 2.032 -8.854 1.00 0.00 C ATOM 1200 CD ARG A 82 9.297 2.875 -7.781 1.00 0.00 C ATOM 1201 NE ARG A 82 10.692 3.161 -8.102 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.071 4.093 -8.970 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.162 4.826 -9.599 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.360 4.295 -9.209 1.00 0.00 N ATOM 0 H ARG A 82 8.010 -0.853 -7.755 1.00 0.00 H new ATOM 0 HA ARG A 82 5.778 0.137 -9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.541 2.195 -8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.433 1.155 -7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.299 1.232 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.435 2.646 -9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.753 3.812 -7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.245 2.354 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 82 11.416 2.615 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.170 4.675 -9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.455 5.541 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.062 3.734 -8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.649 5.011 -9.876 1.00 0.00 H new ATOM 1218 N ALA A 83 8.350 -0.330 -10.994 1.00 0.00 N ATOM 1219 CA ALA A 83 8.847 -0.277 -12.364 1.00 0.00 C ATOM 1220 C ALA A 83 8.088 -1.249 -13.261 1.00 0.00 C ATOM 1221 O ALA A 83 7.889 -0.987 -14.448 1.00 0.00 O ATOM 1222 CB ALA A 83 10.337 -0.579 -12.397 1.00 0.00 C ATOM 0 H ALA A 83 8.892 -0.929 -10.372 1.00 0.00 H new ATOM 0 HA ALA A 83 8.684 0.731 -12.745 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.694 -0.536 -13.426 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.871 0.157 -11.796 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.515 -1.575 -11.992 1.00 0.00 H new ATOM 1228 N LEU A 84 7.667 -2.370 -12.687 1.00 0.00 N ATOM 1229 CA LEU A 84 6.929 -3.382 -13.436 1.00 0.00 C ATOM 1230 C LEU A 84 5.545 -2.873 -13.823 1.00 0.00 C ATOM 1231 O LEU A 84 4.904 -3.412 -14.726 1.00 0.00 O ATOM 1232 CB LEU A 84 6.801 -4.663 -12.610 1.00 0.00 C ATOM 1233 CG LEU A 84 7.918 -5.692 -12.789 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.120 -6.490 -11.510 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.608 -6.619 -13.955 1.00 0.00 C ATOM 0 H LEU A 84 7.824 -2.602 -11.706 1.00 0.00 H new ATOM 0 HA LEU A 84 7.484 -3.599 -14.349 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.753 -4.389 -11.556 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.853 -5.139 -12.859 1.00 0.00 H new ATOM 0 HG LEU A 84 8.843 -5.160 -13.010 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.919 -7.217 -11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.389 -5.814 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.197 -7.011 -11.257 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.414 -7.344 -14.067 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.672 -7.143 -13.764 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.516 -6.034 -14.870 1.00 0.00 H new ATOM 1247 N ILE A 85 5.091 -1.830 -13.136 1.00 0.00 N ATOM 1248 CA ILE A 85 3.784 -1.246 -13.410 1.00 0.00 C ATOM 1249 C ILE A 85 3.917 0.187 -13.914 1.00 0.00 C ATOM 1250 O ILE A 85 3.038 0.698 -14.608 1.00 0.00 O ATOM 1251 CB ILE A 85 2.888 -1.256 -12.157 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.715 -0.934 -10.910 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.199 -2.604 -12.010 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.947 -1.099 -9.618 1.00 0.00 C ATOM 0 H ILE A 85 5.609 -1.372 -12.386 1.00 0.00 H new ATOM 0 HA ILE A 85 3.321 -1.859 -14.183 1.00 0.00 H new ATOM 0 HB ILE A 85 2.122 -0.489 -12.269 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.591 -1.582 -10.888 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.078 0.091 -10.979 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.569 -2.596 -11.120 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.583 -2.795 -12.889 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.950 -3.388 -11.916 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.595 -0.854 -8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.085 -0.431 -9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.607 -2.130 -9.526 1.00 0.00 H new ATOM 1266 N LYS A 86 5.024 0.832 -13.562 1.00 0.00 N ATOM 1267 CA LYS A 86 5.276 2.206 -13.980 1.00 0.00 C ATOM 1268 C LYS A 86 4.237 3.154 -13.391 1.00 0.00 C ATOM 1269 O LYS A 86 3.808 4.105 -14.046 1.00 0.00 O ATOM 1270 CB LYS A 86 5.266 2.306 -15.507 1.00 0.00 C ATOM 1271 CG LYS A 86 6.325 1.450 -16.180 1.00 0.00 C ATOM 1272 CD LYS A 86 5.804 0.055 -16.485 1.00 0.00 C ATOM 1273 CE LYS A 86 6.806 -0.748 -17.300 1.00 0.00 C ATOM 1274 NZ LYS A 86 6.194 -1.977 -17.875 1.00 0.00 N ATOM 0 H LYS A 86 5.762 0.425 -12.988 1.00 0.00 H new ATOM 0 HA LYS A 86 6.259 2.497 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.284 2.010 -15.876 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.415 3.347 -15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.648 1.929 -17.104 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.201 1.379 -15.535 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.591 -0.467 -15.552 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.864 0.128 -17.032 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.200 -0.128 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.650 -1.024 -16.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.909 -2.497 -18.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.841 -2.581 -17.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.404 -1.713 -18.498 1.00 0.00 H new ATOM 1288 N ILE A 87 3.837 2.889 -12.152 1.00 0.00 N ATOM 1289 CA ILE A 87 2.849 3.720 -11.475 1.00 0.00 C ATOM 1290 C ILE A 87 3.410 4.293 -10.177 1.00 0.00 C ATOM 1291 O ILE A 87 4.379 3.773 -9.625 1.00 0.00 O ATOM 1292 CB ILE A 87 1.566 2.928 -11.160 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.848 1.857 -10.105 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.010 2.297 -12.428 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.628 1.467 -9.299 1.00 0.00 C ATOM 0 H ILE A 87 4.182 2.106 -11.597 1.00 0.00 H new ATOM 0 HA ILE A 87 2.604 4.536 -12.155 1.00 0.00 H new ATOM 0 HB ILE A 87 0.820 3.616 -10.762 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.247 0.970 -10.597 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.620 2.221 -9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.103 1.740 -12.190 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.777 3.078 -13.151 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.751 1.619 -12.852 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.902 0.704 -8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.240 2.343 -8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.138 1.073 -9.966 1.00 0.00 H new ATOM 1307 N ASP A 88 2.793 5.366 -9.696 1.00 0.00 N ATOM 1308 CA ASP A 88 3.228 6.009 -8.461 1.00 0.00 C ATOM 1309 C ASP A 88 3.624 4.969 -7.417 1.00 0.00 C ATOM 1310 O ASP A 88 2.822 4.113 -7.044 1.00 0.00 O ATOM 1311 CB ASP A 88 2.120 6.907 -7.910 1.00 0.00 C ATOM 1312 CG ASP A 88 2.663 8.064 -7.095 1.00 0.00 C ATOM 1313 OD1 ASP A 88 3.719 7.893 -6.451 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.033 9.142 -7.103 1.00 0.00 O ATOM 0 H ASP A 88 1.990 5.809 -10.142 1.00 0.00 H new ATOM 0 HA ASP A 88 4.101 6.621 -8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.527 7.296 -8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.450 6.312 -7.289 1.00 0.00 H new ATOM 1319 N VAL A 89 4.866 5.049 -6.951 1.00 0.00 N ATOM 1320 CA VAL A 89 5.368 4.115 -5.950 1.00 0.00 C ATOM 1321 C VAL A 89 4.436 4.045 -4.746 1.00 0.00 C ATOM 1322 O VAL A 89 4.334 3.012 -4.086 1.00 0.00 O ATOM 1323 CB VAL A 89 6.778 4.509 -5.472 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.760 5.893 -4.841 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.317 3.476 -4.494 1.00 0.00 C ATOM 0 H VAL A 89 5.543 5.751 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 89 5.414 3.136 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 89 7.441 4.538 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.765 6.155 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.419 6.623 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.084 5.894 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.314 3.770 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.655 3.413 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.368 2.503 -4.984 1.00 0.00 H new ATOM 1335 N ASN A 90 3.755 5.152 -4.467 1.00 0.00 N ATOM 1336 CA ASN A 90 2.830 5.217 -3.342 1.00 0.00 C ATOM 1337 C ASN A 90 1.747 4.150 -3.466 1.00 0.00 C ATOM 1338 O ASN A 90 1.158 3.727 -2.470 1.00 0.00 O ATOM 1339 CB ASN A 90 2.188 6.604 -3.262 1.00 0.00 C ATOM 1340 CG ASN A 90 1.278 6.751 -2.058 1.00 0.00 C ATOM 1341 OD1 ASN A 90 0.074 6.968 -2.198 1.00 0.00 O ATOM 1342 ND2 ASN A 90 1.850 6.632 -0.865 1.00 0.00 N ATOM 0 H ASN A 90 3.827 6.016 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 90 3.395 5.032 -2.428 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.970 7.362 -3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.616 6.790 -4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.288 6.720 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.852 6.452 -0.795 1.00 0.00 H new ATOM 1349 N LYS A 91 1.489 3.716 -4.695 1.00 0.00 N ATOM 1350 CA LYS A 91 0.478 2.697 -4.951 1.00 0.00 C ATOM 1351 C LYS A 91 1.030 1.302 -4.674 1.00 0.00 C ATOM 1352 O LYS A 91 0.628 0.643 -3.715 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.010 2.786 -6.399 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.425 4.186 -6.816 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.899 4.435 -6.541 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.784 3.521 -7.374 1.00 0.00 C ATOM 1357 NZ LYS A 91 -4.117 4.129 -7.638 1.00 0.00 N ATOM 0 H LYS A 91 1.967 4.055 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.362 2.876 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.782 2.438 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.856 2.111 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.176 4.920 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.223 4.325 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.104 4.276 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.140 5.475 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.291 3.302 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.914 2.571 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.838 3.647 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.094 5.138 -7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.352 4.027 -8.646 1.00 0.00 H new ATOM 1371 N THR A 92 1.955 0.858 -5.520 1.00 0.00 N ATOM 1372 CA THR A 92 2.562 -0.458 -5.365 1.00 0.00 C ATOM 1373 C THR A 92 2.922 -0.730 -3.909 1.00 0.00 C ATOM 1374 O THR A 92 2.687 -1.824 -3.396 1.00 0.00 O ATOM 1375 CB THR A 92 3.830 -0.597 -6.230 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.555 -1.772 -5.851 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.722 0.626 -6.082 1.00 0.00 C ATOM 0 H THR A 92 2.300 1.390 -6.319 1.00 0.00 H new ATOM 0 HA THR A 92 1.823 -1.188 -5.696 1.00 0.00 H new ATOM 0 HB THR A 92 3.525 -0.680 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.512 -1.632 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.611 0.505 -6.702 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.176 1.515 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.019 0.736 -5.039 1.00 0.00 H new ATOM 1385 N ARG A 93 3.493 0.271 -3.248 1.00 0.00 N ATOM 1386 CA ARG A 93 3.886 0.139 -1.851 1.00 0.00 C ATOM 1387 C ARG A 93 2.896 -0.738 -1.089 1.00 0.00 C ATOM 1388 O ARG A 93 3.288 -1.671 -0.388 1.00 0.00 O ATOM 1389 CB ARG A 93 3.976 1.516 -1.191 1.00 0.00 C ATOM 1390 CG ARG A 93 5.356 2.147 -1.284 1.00 0.00 C ATOM 1391 CD ARG A 93 5.635 3.053 -0.095 1.00 0.00 C ATOM 1392 NE ARG A 93 6.118 2.305 1.062 1.00 0.00 N ATOM 1393 CZ ARG A 93 6.137 2.795 2.297 1.00 0.00 C ATOM 1394 NH1 ARG A 93 5.703 4.025 2.534 1.00 0.00 N ATOM 1395 NH2 ARG A 93 6.592 2.053 3.299 1.00 0.00 N ATOM 0 H ARG A 93 3.694 1.183 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 93 4.867 -0.336 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.249 2.181 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.697 1.425 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.113 1.364 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.433 2.722 -2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.375 3.803 -0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.725 3.589 0.174 1.00 0.00 H new ATOM 0 HE ARG A 93 6.459 1.355 0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.353 4.599 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.719 4.397 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.927 1.106 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.606 2.430 4.247 1.00 0.00 H new ATOM 1409 N LYS A 94 1.611 -0.431 -1.230 1.00 0.00 N ATOM 1410 CA LYS A 94 0.564 -1.190 -0.557 1.00 0.00 C ATOM 1411 C LYS A 94 0.459 -2.599 -1.131 1.00 0.00 C ATOM 1412 O LYS A 94 0.373 -3.577 -0.387 1.00 0.00 O ATOM 1413 CB LYS A 94 -0.781 -0.472 -0.690 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.657 1.038 -0.788 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.872 1.737 -0.201 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.687 2.024 1.281 1.00 0.00 C ATOM 1417 NZ LYS A 94 -2.985 2.029 2.011 1.00 0.00 N ATOM 0 H LYS A 94 1.269 0.339 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 94 0.826 -1.265 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.296 -0.844 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.403 -0.722 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.241 1.365 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.539 1.327 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.049 2.671 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.756 1.115 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.028 1.273 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.197 2.989 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.808 2.110 3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.559 2.837 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.496 1.144 1.817 1.00 0.00 H new ATOM 1431 N ILE A 95 0.468 -2.696 -2.456 1.00 0.00 N ATOM 1432 CA ILE A 95 0.376 -3.986 -3.128 1.00 0.00 C ATOM 1433 C ILE A 95 1.554 -4.883 -2.760 1.00 0.00 C ATOM 1434 O ILE A 95 1.388 -5.893 -2.076 1.00 0.00 O ATOM 1435 CB ILE A 95 0.330 -3.822 -4.659 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -0.745 -2.806 -5.052 1.00 0.00 C ATOM 1437 CG2 ILE A 95 0.069 -5.163 -5.328 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -0.892 -2.630 -6.547 1.00 0.00 C ATOM 0 H ILE A 95 0.538 -1.896 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.551 -4.451 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 95 1.297 -3.451 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.702 -3.122 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.504 -1.842 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.039 -5.030 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.866 -5.860 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.886 -5.561 -4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.671 -1.896 -6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.052 -2.284 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.163 -3.583 -7.001 1.00 0.00 H new ATOM 1450 N TYR A 96 2.743 -4.505 -3.216 1.00 0.00 N ATOM 1451 CA TYR A 96 3.949 -5.275 -2.936 1.00 0.00 C ATOM 1452 C TYR A 96 3.915 -5.845 -1.521 1.00 0.00 C ATOM 1453 O TYR A 96 4.064 -7.050 -1.321 1.00 0.00 O ATOM 1454 CB TYR A 96 5.191 -4.400 -3.115 1.00 0.00 C ATOM 1455 CG TYR A 96 6.469 -5.060 -2.650 1.00 0.00 C ATOM 1456 CD1 TYR A 96 7.068 -6.065 -3.400 1.00 0.00 C ATOM 1457 CD2 TYR A 96 7.078 -4.679 -1.461 1.00 0.00 C ATOM 1458 CE1 TYR A 96 8.235 -6.671 -2.978 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.246 -5.279 -1.032 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.821 -6.275 -1.794 1.00 0.00 C ATOM 1461 OH TYR A 96 9.984 -6.875 -1.371 1.00 0.00 O ATOM 0 H TYR A 96 2.897 -3.670 -3.781 1.00 0.00 H new ATOM 0 HA TYR A 96 3.992 -6.104 -3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.291 -4.136 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.052 -3.469 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.613 -6.377 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.630 -3.900 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.687 -7.451 -3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.706 -4.970 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 96 10.567 -7.037 -2.142 1.00 0.00 H new ATOM 1471 N ASP A 97 3.716 -4.969 -0.542 1.00 0.00 N ATOM 1472 CA ASP A 97 3.660 -5.383 0.855 1.00 0.00 C ATOM 1473 C ASP A 97 2.624 -6.485 1.053 1.00 0.00 C ATOM 1474 O ASP A 97 2.885 -7.482 1.727 1.00 0.00 O ATOM 1475 CB ASP A 97 3.329 -4.188 1.750 1.00 0.00 C ATOM 1476 CG ASP A 97 4.561 -3.390 2.130 1.00 0.00 C ATOM 1477 OD1 ASP A 97 5.475 -3.970 2.751 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.610 -2.185 1.806 1.00 0.00 O ATOM 0 H ASP A 97 3.591 -3.968 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 97 4.639 -5.775 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.623 -3.537 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.835 -4.542 2.655 1.00 0.00 H new ATOM 1483 N PHE A 98 1.448 -6.299 0.464 1.00 0.00 N ATOM 1484 CA PHE A 98 0.372 -7.277 0.578 1.00 0.00 C ATOM 1485 C PHE A 98 0.827 -8.646 0.082 1.00 0.00 C ATOM 1486 O PHE A 98 0.528 -9.672 0.695 1.00 0.00 O ATOM 1487 CB PHE A 98 -0.851 -6.815 -0.216 1.00 0.00 C ATOM 1488 CG PHE A 98 -1.949 -7.839 -0.276 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.900 -7.913 0.728 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.028 -8.727 -1.337 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.912 -8.854 0.676 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.037 -9.670 -1.394 1.00 0.00 C ATOM 1493 CZ PHE A 98 -3.979 -9.734 -0.386 1.00 0.00 C ATOM 0 H PHE A 98 1.215 -5.480 -0.097 1.00 0.00 H new ATOM 0 HA PHE A 98 0.102 -7.363 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.241 -5.901 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.542 -6.565 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.851 -7.228 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.294 -8.682 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.649 -8.901 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.089 -10.356 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.767 -10.471 -0.428 1.00 0.00 H new ATOM 1503 N LEU A 99 1.551 -8.655 -1.032 1.00 0.00 N ATOM 1504 CA LEU A 99 2.047 -9.898 -1.612 1.00 0.00 C ATOM 1505 C LEU A 99 3.202 -10.460 -0.789 1.00 0.00 C ATOM 1506 O LEU A 99 3.328 -11.674 -0.627 1.00 0.00 O ATOM 1507 CB LEU A 99 2.501 -9.665 -3.055 1.00 0.00 C ATOM 1508 CG LEU A 99 1.463 -9.047 -3.993 1.00 0.00 C ATOM 1509 CD1 LEU A 99 2.124 -8.561 -5.273 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.363 -10.050 -4.306 1.00 0.00 C ATOM 0 H LEU A 99 1.808 -7.816 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 99 1.233 -10.623 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.378 -9.018 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.817 -10.620 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 99 1.013 -8.190 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.371 -8.124 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.875 -7.809 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.601 -9.401 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.367 -9.593 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.796 -10.927 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.130 -10.350 -3.381 1.00 0.00 H new ATOM 1522 N ILE A 100 4.041 -9.569 -0.270 1.00 0.00 N ATOM 1523 CA ILE A 100 5.182 -9.977 0.539 1.00 0.00 C ATOM 1524 C ILE A 100 4.729 -10.680 1.814 1.00 0.00 C ATOM 1525 O ILE A 100 5.312 -11.685 2.221 1.00 0.00 O ATOM 1526 CB ILE A 100 6.064 -8.771 0.916 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.749 -8.204 -0.328 1.00 0.00 C ATOM 1528 CG2 ILE A 100 7.096 -9.176 1.958 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.876 -9.070 -0.845 1.00 0.00 C ATOM 0 H ILE A 100 3.952 -8.561 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 100 5.767 -10.670 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 100 5.430 -7.994 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.007 -8.079 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.140 -7.213 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.712 -8.314 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.588 -9.538 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.729 -9.967 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.315 -8.606 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.638 -9.175 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.488 -10.054 -1.107 1.00 0.00 H new ATOM 1541 N ARG A 101 3.686 -10.145 2.439 1.00 0.00 N ATOM 1542 CA ARG A 101 3.153 -10.722 3.668 1.00 0.00 C ATOM 1543 C ARG A 101 2.319 -11.964 3.369 1.00 0.00 C ATOM 1544 O ARG A 101 2.341 -12.934 4.126 1.00 0.00 O ATOM 1545 CB ARG A 101 2.304 -9.692 4.414 1.00 0.00 C ATOM 1546 CG ARG A 101 1.043 -9.287 3.668 1.00 0.00 C ATOM 1547 CD ARG A 101 0.293 -8.184 4.398 1.00 0.00 C ATOM 1548 NE ARG A 101 -0.635 -8.719 5.392 1.00 0.00 N ATOM 1549 CZ ARG A 101 -0.279 -9.044 6.630 1.00 0.00 C ATOM 1550 NH1 ARG A 101 0.978 -8.889 7.024 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -1.181 -9.524 7.476 1.00 0.00 N ATOM 0 H ARG A 101 3.193 -9.313 2.115 1.00 0.00 H new ATOM 0 HA ARG A 101 3.994 -11.013 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.026 -10.099 5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.907 -8.803 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.305 -8.948 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.393 -10.155 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.007 -7.523 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.257 -7.580 3.676 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.609 -8.850 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.674 -8.520 6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.249 -9.139 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.149 -9.644 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.907 -9.773 8.426 1.00 0.00 H new ATOM 1565 N GLU A 102 1.586 -11.926 2.261 1.00 0.00 N ATOM 1566 CA GLU A 102 0.744 -13.048 1.864 1.00 0.00 C ATOM 1567 C GLU A 102 1.593 -14.260 1.490 1.00 0.00 C ATOM 1568 O GLU A 102 1.114 -15.393 1.497 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.147 -12.653 0.684 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.449 -11.988 1.101 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.500 -12.989 1.542 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.198 -13.540 0.666 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -2.623 -13.220 2.763 1.00 0.00 O ATOM 0 H GLU A 102 1.558 -11.131 1.623 1.00 0.00 H new ATOM 0 HA GLU A 102 0.114 -13.315 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.405 -11.975 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.375 -13.543 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.252 -11.291 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.837 -11.403 0.267 1.00 0.00 H new ATOM 1580 N GLY A 103 2.858 -14.011 1.164 1.00 0.00 N ATOM 1581 CA GLY A 103 3.754 -15.090 0.791 1.00 0.00 C ATOM 1582 C GLY A 103 3.709 -15.395 -0.693 1.00 0.00 C ATOM 1583 O GLY A 103 3.752 -16.557 -1.097 1.00 0.00 O ATOM 0 H GLY A 103 3.278 -13.082 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.773 -14.826 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.490 -15.987 1.351 1.00 0.00 H new ATOM 1587 N TYR A 104 3.619 -14.349 -1.508 1.00 0.00 N ATOM 1588 CA TYR A 104 3.564 -14.511 -2.956 1.00 0.00 C ATOM 1589 C TYR A 104 4.921 -14.220 -3.589 1.00 0.00 C ATOM 1590 O TYR A 104 5.315 -14.863 -4.562 1.00 0.00 O ATOM 1591 CB TYR A 104 2.501 -13.587 -3.553 1.00 0.00 C ATOM 1592 CG TYR A 104 1.088 -14.094 -3.372 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.677 -15.288 -3.952 1.00 0.00 C ATOM 1594 CD2 TYR A 104 0.163 -13.378 -2.622 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -0.613 -15.755 -3.790 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.129 -13.838 -2.454 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.512 -15.026 -3.040 1.00 0.00 C ATOM 1598 OH TYR A 104 -2.799 -15.487 -2.876 1.00 0.00 O ATOM 0 H TYR A 104 3.583 -13.380 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 104 3.298 -15.546 -3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.587 -12.603 -3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.699 -13.459 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.379 -15.861 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.459 -12.446 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.916 -16.685 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -1.835 -13.270 -1.867 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.304 -14.857 -2.320 1.00 0.00 H new ATOM 1608 N ILE A 105 5.631 -13.247 -3.028 1.00 0.00 N ATOM 1609 CA ILE A 105 6.944 -12.870 -3.536 1.00 0.00 C ATOM 1610 C ILE A 105 7.958 -12.749 -2.403 1.00 0.00 C ATOM 1611 O ILE A 105 7.640 -13.003 -1.240 1.00 0.00 O ATOM 1612 CB ILE A 105 6.890 -11.537 -4.306 1.00 0.00 C ATOM 1613 CG1 ILE A 105 6.042 -10.517 -3.543 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.334 -11.756 -5.705 1.00 0.00 C ATOM 1615 CD1 ILE A 105 6.035 -9.143 -4.176 1.00 0.00 C ATOM 0 H ILE A 105 5.319 -12.706 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 105 7.257 -13.661 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 105 7.903 -11.145 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.018 -10.884 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.416 -10.436 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.302 -10.805 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.974 -12.453 -6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.327 -12.167 -5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.414 -8.472 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.053 -8.756 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.633 -9.210 -5.187 1.00 0.00 H new ATOM 1627 N THR A 106 9.180 -12.358 -2.749 1.00 0.00 N ATOM 1628 CA THR A 106 10.241 -12.202 -1.762 1.00 0.00 C ATOM 1629 C THR A 106 10.897 -10.830 -1.871 1.00 0.00 C ATOM 1630 O THR A 106 10.856 -10.193 -2.924 1.00 0.00 O ATOM 1631 CB THR A 106 11.320 -13.289 -1.920 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.736 -14.488 -2.440 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.993 -13.583 -0.588 1.00 0.00 C ATOM 0 H THR A 106 9.460 -12.143 -3.706 1.00 0.00 H new ATOM 0 HA THR A 106 9.777 -12.302 -0.781 1.00 0.00 H new ATOM 0 HB THR A 106 12.074 -12.921 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.180 -14.731 -3.279 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.751 -14.354 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.463 -12.675 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.248 -13.931 0.127 1.00 0.00 H new ATOM 1641 N LYS A 107 11.502 -10.379 -0.778 1.00 0.00 N ATOM 1642 CA LYS A 107 12.169 -9.083 -0.751 1.00 0.00 C ATOM 1643 C LYS A 107 13.601 -9.198 -1.262 1.00 0.00 C ATOM 1644 O LYS A 107 14.407 -9.952 -0.717 1.00 0.00 O ATOM 1645 CB LYS A 107 12.168 -8.516 0.671 1.00 0.00 C ATOM 1646 CG LYS A 107 12.325 -7.006 0.722 1.00 0.00 C ATOM 1647 CD LYS A 107 11.624 -6.413 1.933 1.00 0.00 C ATOM 1648 CE LYS A 107 11.205 -4.972 1.686 1.00 0.00 C ATOM 1649 NZ LYS A 107 12.380 -4.067 1.562 1.00 0.00 N ATOM 0 H LYS A 107 11.544 -10.893 0.102 1.00 0.00 H new ATOM 0 HA LYS A 107 11.621 -8.406 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.236 -8.793 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.977 -8.977 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.384 -6.750 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.917 -6.566 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.746 -7.012 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.288 -6.457 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.608 -4.918 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.570 -4.633 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.053 -3.094 1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.937 -4.099 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.973 -4.375 0.765 1.00 0.00 H new ATOM 1663 N ALA A 108 13.912 -8.444 -2.312 1.00 0.00 N ATOM 1664 CA ALA A 108 15.248 -8.459 -2.895 1.00 0.00 C ATOM 1665 C ALA A 108 16.189 -7.532 -2.133 1.00 0.00 C ATOM 1666 O ALA A 108 17.235 -7.960 -1.643 1.00 0.00 O ATOM 1667 CB ALA A 108 15.188 -8.064 -4.363 1.00 0.00 C ATOM 0 H ALA A 108 13.256 -7.815 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 108 15.640 -9.473 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.193 -8.080 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.556 -8.769 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.772 -7.061 -4.453 1.00 0.00 H new TER 1673 ALA A 108