USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 710 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 16 ASN : amide:sc= -0.67 X(o=-0.67,f=-0.95!) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.00503 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.567 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 140:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 8 MET CE :methyl -143:sc= -0.0298 (180deg=-0.775) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -80:sc= 0.682 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0.132 (180deg=0.128) USER MOD Single : A 45 TYR OH : rot 165:sc= -0.0527 USER MOD Single : A 46 CYS SG : rot 140:sc= -0.0573 USER MOD Single : A 47 SER OG : rot -76:sc= 0.858 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 1.27 (180deg=0.0395) USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= 0.284 (180deg=0.112) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -138:sc= -0.115 (180deg=-2.04!) USER MOD Single : A 72 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= -0.0776 (180deg=-0.455) USER MOD Single : A 79 SER OG : rot 180:sc= -0.127 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0255 X(o=-0.025,f=-0.032) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -54:sc= 0.184 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.061 -5.447 -17.857 1.00 0.00 N ATOM 2 CA GLY A 1 15.675 -4.553 -16.781 1.00 0.00 C ATOM 3 C GLY A 1 16.402 -3.225 -16.841 1.00 0.00 C ATOM 4 O GLY A 1 17.600 -3.177 -17.115 1.00 0.00 O ATOM 0 H1 GLY A 1 16.075 -6.426 -17.507 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.377 -5.367 -18.637 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.008 -5.189 -18.200 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.600 -4.378 -16.827 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.879 -5.032 -15.824 1.00 0.00 H new ATOM 8 N SER A 2 15.673 -2.142 -16.587 1.00 0.00 N ATOM 9 CA SER A 2 16.256 -0.805 -16.618 1.00 0.00 C ATOM 10 C SER A 2 15.394 0.181 -15.835 1.00 0.00 C ATOM 11 O SER A 2 14.213 -0.066 -15.592 1.00 0.00 O ATOM 12 CB SER A 2 16.410 -0.328 -18.064 1.00 0.00 C ATOM 13 OG SER A 2 17.673 -0.697 -18.590 1.00 0.00 O ATOM 0 H SER A 2 14.679 -2.164 -16.358 1.00 0.00 H new ATOM 0 HA SER A 2 17.240 -0.852 -16.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.618 -0.756 -18.678 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.297 0.755 -18.107 1.00 0.00 H new ATOM 0 HG SER A 2 17.940 -1.565 -18.222 1.00 0.00 H new ATOM 19 N SER A 3 15.995 1.299 -15.442 1.00 0.00 N ATOM 20 CA SER A 3 15.286 2.322 -14.683 1.00 0.00 C ATOM 21 C SER A 3 14.285 3.059 -15.567 1.00 0.00 C ATOM 22 O SER A 3 14.645 3.612 -16.606 1.00 0.00 O ATOM 23 CB SER A 3 16.277 3.317 -14.077 1.00 0.00 C ATOM 24 OG SER A 3 16.883 2.789 -12.911 1.00 0.00 O ATOM 0 H SER A 3 16.972 1.520 -15.637 1.00 0.00 H new ATOM 0 HA SER A 3 14.740 1.829 -13.879 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.045 3.562 -14.810 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.761 4.246 -13.833 1.00 0.00 H new ATOM 0 HG SER A 3 17.513 3.444 -12.545 1.00 0.00 H new ATOM 30 N GLY A 4 13.023 3.062 -15.147 1.00 0.00 N ATOM 31 CA GLY A 4 11.987 3.733 -15.911 1.00 0.00 C ATOM 32 C GLY A 4 10.625 3.628 -15.257 1.00 0.00 C ATOM 33 O GLY A 4 10.461 3.977 -14.088 1.00 0.00 O ATOM 0 H GLY A 4 12.700 2.611 -14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.250 4.784 -16.029 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.941 3.302 -16.911 1.00 0.00 H new ATOM 37 N SER A 5 9.642 3.148 -16.013 1.00 0.00 N ATOM 38 CA SER A 5 8.284 3.004 -15.502 1.00 0.00 C ATOM 39 C SER A 5 7.749 4.341 -14.996 1.00 0.00 C ATOM 40 O SER A 5 7.097 4.406 -13.955 1.00 0.00 O ATOM 41 CB SER A 5 8.248 1.969 -14.376 1.00 0.00 C ATOM 42 OG SER A 5 8.207 0.651 -14.895 1.00 0.00 O ATOM 0 H SER A 5 9.761 2.852 -16.982 1.00 0.00 H new ATOM 0 HA SER A 5 7.648 2.664 -16.320 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.127 2.086 -13.742 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.375 2.142 -13.746 1.00 0.00 H new ATOM 0 HG SER A 5 8.782 0.069 -14.356 1.00 0.00 H new ATOM 48 N SER A 6 8.030 5.403 -15.744 1.00 0.00 N ATOM 49 CA SER A 6 7.582 6.740 -15.370 1.00 0.00 C ATOM 50 C SER A 6 7.321 7.591 -16.610 1.00 0.00 C ATOM 51 O SER A 6 7.558 7.156 -17.736 1.00 0.00 O ATOM 52 CB SER A 6 8.623 7.421 -14.479 1.00 0.00 C ATOM 53 OG SER A 6 8.085 8.576 -13.859 1.00 0.00 O ATOM 0 H SER A 6 8.565 5.364 -16.612 1.00 0.00 H new ATOM 0 HA SER A 6 6.649 6.642 -14.814 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.967 6.722 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.493 7.696 -15.075 1.00 0.00 H new ATOM 0 HG SER A 6 8.769 8.992 -13.294 1.00 0.00 H new ATOM 59 N GLY A 7 6.831 8.808 -16.392 1.00 0.00 N ATOM 60 CA GLY A 7 6.546 9.702 -17.499 1.00 0.00 C ATOM 61 C GLY A 7 5.511 10.751 -17.145 1.00 0.00 C ATOM 62 O GLY A 7 5.517 11.288 -16.038 1.00 0.00 O ATOM 0 H GLY A 7 6.626 9.190 -15.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.467 10.195 -17.810 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.193 9.120 -18.350 1.00 0.00 H new ATOM 66 N MET A 8 4.622 11.045 -18.088 1.00 0.00 N ATOM 67 CA MET A 8 3.577 12.038 -17.869 1.00 0.00 C ATOM 68 C MET A 8 2.781 11.721 -16.608 1.00 0.00 C ATOM 69 O MET A 8 2.638 10.565 -16.209 1.00 0.00 O ATOM 70 CB MET A 8 2.639 12.097 -19.077 1.00 0.00 C ATOM 71 CG MET A 8 2.072 10.743 -19.474 1.00 0.00 C ATOM 72 SD MET A 8 1.471 10.713 -21.173 1.00 0.00 S ATOM 73 CE MET A 8 0.282 12.052 -21.134 1.00 0.00 C ATOM 0 H MET A 8 4.604 10.610 -19.010 1.00 0.00 H new ATOM 0 HA MET A 8 4.055 13.009 -17.741 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.815 12.775 -18.854 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.178 12.519 -19.925 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.842 9.981 -19.352 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.256 10.483 -18.799 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.577 11.794 -21.753 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.047 12.217 -20.108 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.745 12.961 -21.517 1.00 0.00 H new ATOM 83 N PRO A 9 2.249 12.770 -15.964 1.00 0.00 N ATOM 84 CA PRO A 9 1.458 12.628 -14.738 1.00 0.00 C ATOM 85 C PRO A 9 0.104 11.974 -14.994 1.00 0.00 C ATOM 86 O PRO A 9 -0.540 11.476 -14.071 1.00 0.00 O ATOM 87 CB PRO A 9 1.273 14.071 -14.265 1.00 0.00 C ATOM 88 CG PRO A 9 1.393 14.894 -15.502 1.00 0.00 C ATOM 89 CD PRO A 9 2.378 14.175 -16.382 1.00 0.00 C ATOM 0 HA PRO A 9 1.951 11.986 -14.008 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.302 14.210 -13.790 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.030 14.347 -13.531 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.428 14.996 -15.998 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.740 15.901 -15.269 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.141 14.303 -17.438 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.392 14.546 -16.236 1.00 0.00 H new ATOM 97 N ASN A 10 -0.321 11.979 -16.253 1.00 0.00 N ATOM 98 CA ASN A 10 -1.600 11.386 -16.630 1.00 0.00 C ATOM 99 C ASN A 10 -1.544 9.865 -16.528 1.00 0.00 C ATOM 100 O ASN A 10 -0.746 9.216 -17.204 1.00 0.00 O ATOM 101 CB ASN A 10 -1.977 11.800 -18.053 1.00 0.00 C ATOM 102 CG ASN A 10 -3.478 11.832 -18.268 1.00 0.00 C ATOM 103 OD1 ASN A 10 -4.128 12.852 -18.036 1.00 0.00 O ATOM 104 ND2 ASN A 10 -4.036 10.713 -18.712 1.00 0.00 N ATOM 0 H ASN A 10 0.200 12.386 -17.029 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.360 11.751 -15.940 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.562 12.785 -18.264 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.526 11.106 -18.762 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.042 10.674 -18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.459 9.891 -18.891 1.00 0.00 H new ATOM 111 N ARG A 11 -2.399 9.302 -15.680 1.00 0.00 N ATOM 112 CA ARG A 11 -2.447 7.858 -15.490 1.00 0.00 C ATOM 113 C ARG A 11 -3.817 7.422 -14.979 1.00 0.00 C ATOM 114 O ARG A 11 -4.523 8.193 -14.327 1.00 0.00 O ATOM 115 CB ARG A 11 -1.361 7.415 -14.508 1.00 0.00 C ATOM 116 CG ARG A 11 -1.420 5.936 -14.162 1.00 0.00 C ATOM 117 CD ARG A 11 -0.047 5.394 -13.797 1.00 0.00 C ATOM 118 NE ARG A 11 0.888 5.473 -14.916 1.00 0.00 N ATOM 119 CZ ARG A 11 0.875 4.634 -15.946 1.00 0.00 C ATOM 120 NH1 ARG A 11 -0.021 3.656 -15.997 1.00 0.00 N ATOM 121 NH2 ARG A 11 1.758 4.770 -16.927 1.00 0.00 N ATOM 0 H ARG A 11 -3.068 9.824 -15.114 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.270 7.384 -16.455 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.384 7.641 -14.934 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.452 7.998 -13.591 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.106 5.783 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.819 5.379 -15.010 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.351 5.955 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.141 4.357 -13.475 1.00 0.00 H new ATOM 0 HE ARG A 11 1.590 6.213 -14.906 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.701 3.548 -15.245 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.029 3.013 -16.789 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.449 5.520 -16.891 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.746 4.125 -17.717 1.00 0.00 H new ATOM 135 N LYS A 12 -4.189 6.183 -15.280 1.00 0.00 N ATOM 136 CA LYS A 12 -5.474 5.643 -14.852 1.00 0.00 C ATOM 137 C LYS A 12 -5.340 4.909 -13.521 1.00 0.00 C ATOM 138 O LYS A 12 -4.235 4.729 -13.010 1.00 0.00 O ATOM 139 CB LYS A 12 -6.033 4.695 -15.915 1.00 0.00 C ATOM 140 CG LYS A 12 -5.358 3.334 -15.931 1.00 0.00 C ATOM 141 CD LYS A 12 -5.872 2.470 -17.070 1.00 0.00 C ATOM 142 CE LYS A 12 -7.295 1.999 -16.814 1.00 0.00 C ATOM 143 NZ LYS A 12 -7.338 0.855 -15.863 1.00 0.00 N ATOM 0 H LYS A 12 -3.618 5.533 -15.820 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.163 6.477 -14.720 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.101 4.560 -15.744 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.923 5.157 -16.896 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.280 3.463 -16.029 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.534 2.828 -14.982 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.837 3.035 -18.001 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.219 1.606 -17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.885 2.825 -16.416 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.755 1.705 -17.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.325 0.564 -15.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.797 0.058 -16.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.922 1.143 -14.954 1.00 0.00 H new ATOM 157 N ALA A 13 -6.471 4.486 -12.968 1.00 0.00 N ATOM 158 CA ALA A 13 -6.478 3.768 -11.698 1.00 0.00 C ATOM 159 C ALA A 13 -5.509 2.591 -11.727 1.00 0.00 C ATOM 160 O ALA A 13 -5.692 1.643 -12.490 1.00 0.00 O ATOM 161 CB ALA A 13 -7.885 3.289 -11.372 1.00 0.00 C ATOM 0 H ALA A 13 -7.394 4.627 -13.378 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.149 4.455 -10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.876 2.755 -10.422 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.554 4.147 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.234 2.622 -12.160 1.00 0.00 H new ATOM 167 N SER A 14 -4.477 2.660 -10.893 1.00 0.00 N ATOM 168 CA SER A 14 -3.475 1.602 -10.827 1.00 0.00 C ATOM 169 C SER A 14 -3.133 1.268 -9.377 1.00 0.00 C ATOM 170 O SER A 14 -3.120 2.145 -8.514 1.00 0.00 O ATOM 171 CB SER A 14 -2.211 2.020 -11.579 1.00 0.00 C ATOM 172 OG SER A 14 -1.492 3.007 -10.859 1.00 0.00 O ATOM 0 H SER A 14 -4.312 3.437 -10.253 1.00 0.00 H new ATOM 0 HA SER A 14 -3.890 0.711 -11.298 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.576 1.149 -11.741 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.480 2.406 -12.562 1.00 0.00 H new ATOM 0 HG SER A 14 -0.687 3.256 -11.360 1.00 0.00 H new ATOM 178 N ARG A 15 -2.855 -0.006 -9.120 1.00 0.00 N ATOM 179 CA ARG A 15 -2.513 -0.457 -7.777 1.00 0.00 C ATOM 180 C ARG A 15 -1.324 0.326 -7.226 1.00 0.00 C ATOM 181 O ARG A 15 -0.209 0.215 -7.732 1.00 0.00 O ATOM 182 CB ARG A 15 -2.193 -1.953 -7.783 1.00 0.00 C ATOM 183 CG ARG A 15 -3.413 -2.836 -7.985 1.00 0.00 C ATOM 184 CD ARG A 15 -3.026 -4.212 -8.504 1.00 0.00 C ATOM 185 NE ARG A 15 -2.772 -5.155 -7.419 1.00 0.00 N ATOM 186 CZ ARG A 15 -2.765 -6.474 -7.577 1.00 0.00 C ATOM 187 NH1 ARG A 15 -2.998 -7.002 -8.771 1.00 0.00 N ATOM 188 NH2 ARG A 15 -2.524 -7.266 -6.541 1.00 0.00 N ATOM 0 H ARG A 15 -2.860 -0.744 -9.824 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.374 -0.279 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.471 -2.158 -8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.716 -2.218 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.949 -2.939 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.096 -2.360 -8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.823 -4.597 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.135 -4.127 -9.126 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.590 -4.780 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.183 -6.395 -9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.992 -8.015 -8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.344 -6.863 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.519 -8.279 -6.663 1.00 0.00 H new ATOM 202 N ASN A 16 -1.573 1.118 -6.188 1.00 0.00 N ATOM 203 CA ASN A 16 -0.525 1.920 -5.570 1.00 0.00 C ATOM 204 C ASN A 16 -0.371 1.570 -4.093 1.00 0.00 C ATOM 205 O ASN A 16 -1.159 0.802 -3.542 1.00 0.00 O ATOM 206 CB ASN A 16 -0.836 3.410 -5.722 1.00 0.00 C ATOM 207 CG ASN A 16 -0.607 3.907 -7.137 1.00 0.00 C ATOM 208 OD1 ASN A 16 -1.550 4.052 -7.916 1.00 0.00 O ATOM 209 ND2 ASN A 16 0.649 4.171 -7.476 1.00 0.00 N ATOM 0 H ASN A 16 -2.492 1.221 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 16 0.414 1.698 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.873 3.593 -5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.212 3.981 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.864 4.509 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.399 4.036 -6.798 1.00 0.00 H new ATOM 216 N ALA A 17 0.649 2.139 -3.459 1.00 0.00 N ATOM 217 CA ALA A 17 0.904 1.890 -2.046 1.00 0.00 C ATOM 218 C ALA A 17 -0.399 1.713 -1.274 1.00 0.00 C ATOM 219 O ALA A 17 -0.562 0.751 -0.524 1.00 0.00 O ATOM 220 CB ALA A 17 1.723 3.025 -1.448 1.00 0.00 C ATOM 0 H ALA A 17 1.312 2.775 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 17 1.473 0.964 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.905 2.825 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.675 3.102 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.175 3.962 -1.550 1.00 0.00 H new ATOM 226 N TYR A 18 -1.324 2.648 -1.464 1.00 0.00 N ATOM 227 CA TYR A 18 -2.612 2.596 -0.783 1.00 0.00 C ATOM 228 C TYR A 18 -3.302 1.257 -1.023 1.00 0.00 C ATOM 229 O TYR A 18 -3.822 0.638 -0.094 1.00 0.00 O ATOM 230 CB TYR A 18 -3.511 3.738 -1.262 1.00 0.00 C ATOM 231 CG TYR A 18 -4.820 3.835 -0.510 1.00 0.00 C ATOM 232 CD1 TYR A 18 -4.841 3.976 0.871 1.00 0.00 C ATOM 233 CD2 TYR A 18 -6.034 3.786 -1.183 1.00 0.00 C ATOM 234 CE1 TYR A 18 -6.035 4.063 1.563 1.00 0.00 C ATOM 235 CE2 TYR A 18 -7.233 3.874 -0.500 1.00 0.00 C ATOM 236 CZ TYR A 18 -7.227 4.012 0.872 1.00 0.00 C ATOM 237 OH TYR A 18 -8.417 4.101 1.556 1.00 0.00 O ATOM 0 H TYR A 18 -1.206 3.450 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.434 2.705 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.973 4.680 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.720 3.604 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.909 4.018 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.042 3.677 -2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.034 4.170 2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.169 3.835 -1.038 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.632 3.231 1.953 1.00 0.00 H new ATOM 247 N TYR A 19 -3.302 0.815 -2.276 1.00 0.00 N ATOM 248 CA TYR A 19 -3.930 -0.450 -2.639 1.00 0.00 C ATOM 249 C TYR A 19 -3.251 -1.618 -1.930 1.00 0.00 C ATOM 250 O TYR A 19 -3.915 -2.516 -1.412 1.00 0.00 O ATOM 251 CB TYR A 19 -3.871 -0.655 -4.154 1.00 0.00 C ATOM 252 CG TYR A 19 -4.434 -1.983 -4.607 1.00 0.00 C ATOM 253 CD1 TYR A 19 -3.707 -3.157 -4.450 1.00 0.00 C ATOM 254 CD2 TYR A 19 -5.690 -2.065 -5.193 1.00 0.00 C ATOM 255 CE1 TYR A 19 -4.216 -4.373 -4.863 1.00 0.00 C ATOM 256 CE2 TYR A 19 -6.208 -3.277 -5.608 1.00 0.00 C ATOM 257 CZ TYR A 19 -5.467 -4.428 -5.441 1.00 0.00 C ATOM 258 OH TYR A 19 -5.978 -5.637 -5.855 1.00 0.00 O ATOM 0 H TYR A 19 -2.875 1.313 -3.057 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.973 -0.413 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.421 0.149 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.835 -0.578 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.727 -3.118 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.273 -1.165 -5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.637 -5.276 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.188 -3.323 -6.061 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.869 -5.501 -6.239 1.00 0.00 H new ATOM 268 N PHE A 20 -1.922 -1.599 -1.911 1.00 0.00 N ATOM 269 CA PHE A 20 -1.152 -2.656 -1.267 1.00 0.00 C ATOM 270 C PHE A 20 -1.415 -2.681 0.236 1.00 0.00 C ATOM 271 O PHE A 20 -1.301 -3.724 0.880 1.00 0.00 O ATOM 272 CB PHE A 20 0.343 -2.460 -1.531 1.00 0.00 C ATOM 273 CG PHE A 20 0.822 -3.130 -2.787 1.00 0.00 C ATOM 274 CD1 PHE A 20 0.365 -2.716 -4.027 1.00 0.00 C ATOM 275 CD2 PHE A 20 1.730 -4.175 -2.727 1.00 0.00 C ATOM 276 CE1 PHE A 20 0.804 -3.331 -5.184 1.00 0.00 C ATOM 277 CE2 PHE A 20 2.173 -4.794 -3.881 1.00 0.00 C ATOM 278 CZ PHE A 20 1.710 -4.371 -5.111 1.00 0.00 C ATOM 0 H PHE A 20 -1.356 -0.863 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.467 -3.610 -1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.556 -1.393 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.908 -2.848 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.343 -1.903 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.096 -4.510 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.439 -2.999 -6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.881 -5.608 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.055 -4.852 -6.014 1.00 0.00 H new ATOM 288 N PHE A 21 -1.766 -1.525 0.789 1.00 0.00 N ATOM 289 CA PHE A 21 -2.044 -1.413 2.216 1.00 0.00 C ATOM 290 C PHE A 21 -3.453 -1.904 2.536 1.00 0.00 C ATOM 291 O PHE A 21 -3.686 -2.522 3.575 1.00 0.00 O ATOM 292 CB PHE A 21 -1.881 0.037 2.677 1.00 0.00 C ATOM 293 CG PHE A 21 -2.350 0.275 4.084 1.00 0.00 C ATOM 294 CD1 PHE A 21 -1.533 -0.030 5.161 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.607 0.804 4.330 1.00 0.00 C ATOM 296 CE1 PHE A 21 -1.962 0.188 6.457 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.040 1.025 5.623 1.00 0.00 C ATOM 298 CZ PHE A 21 -3.216 0.715 6.688 1.00 0.00 C ATOM 0 H PHE A 21 -1.865 -0.652 0.270 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.329 -2.040 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.831 0.318 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.436 0.689 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.550 -0.443 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.256 1.046 3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.316 -0.054 7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.021 1.440 5.801 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.553 0.885 7.700 1.00 0.00 H new ATOM 308 N VAL A 22 -4.389 -1.625 1.635 1.00 0.00 N ATOM 309 CA VAL A 22 -5.775 -2.039 1.820 1.00 0.00 C ATOM 310 C VAL A 22 -5.934 -3.540 1.607 1.00 0.00 C ATOM 311 O VAL A 22 -6.652 -4.210 2.349 1.00 0.00 O ATOM 312 CB VAL A 22 -6.717 -1.293 0.856 1.00 0.00 C ATOM 313 CG1 VAL A 22 -8.054 -2.011 0.752 1.00 0.00 C ATOM 314 CG2 VAL A 22 -6.910 0.146 1.309 1.00 0.00 C ATOM 0 H VAL A 22 -4.213 -1.114 0.770 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.045 -1.790 2.846 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.261 -1.281 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.706 -1.469 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.896 -3.023 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.520 -2.057 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.578 0.659 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.344 0.158 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.946 0.654 1.326 1.00 0.00 H new ATOM 324 N GLN A 23 -5.259 -4.062 0.587 1.00 0.00 N ATOM 325 CA GLN A 23 -5.326 -5.486 0.276 1.00 0.00 C ATOM 326 C GLN A 23 -4.846 -6.323 1.456 1.00 0.00 C ATOM 327 O GLN A 23 -5.409 -7.377 1.750 1.00 0.00 O ATOM 328 CB GLN A 23 -4.485 -5.798 -0.963 1.00 0.00 C ATOM 329 CG GLN A 23 -4.842 -7.120 -1.623 1.00 0.00 C ATOM 330 CD GLN A 23 -4.107 -8.296 -1.009 1.00 0.00 C ATOM 331 OE1 GLN A 23 -4.659 -9.025 -0.185 1.00 0.00 O ATOM 332 NE2 GLN A 23 -2.855 -8.486 -1.409 1.00 0.00 N ATOM 0 H GLN A 23 -4.660 -3.521 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.366 -5.741 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.609 -4.994 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.432 -5.814 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.916 -7.285 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.609 -7.066 -2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.438 -7.857 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.311 -9.261 -1.031 1.00 0.00 H new ATOM 341 N GLU A 24 -3.802 -5.849 2.127 1.00 0.00 N ATOM 342 CA GLU A 24 -3.245 -6.555 3.275 1.00 0.00 C ATOM 343 C GLU A 24 -4.073 -6.292 4.530 1.00 0.00 C ATOM 344 O GLU A 24 -3.675 -6.653 5.637 1.00 0.00 O ATOM 345 CB GLU A 24 -1.795 -6.132 3.509 1.00 0.00 C ATOM 346 CG GLU A 24 -0.828 -6.664 2.464 1.00 0.00 C ATOM 347 CD GLU A 24 -0.700 -8.174 2.504 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.468 -8.721 3.603 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.830 -8.810 1.437 1.00 0.00 O ATOM 0 H GLU A 24 -3.324 -4.978 1.895 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.273 -7.623 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.741 -5.043 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.479 -6.478 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.164 -6.358 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.153 -6.216 2.620 1.00 0.00 H new ATOM 356 N LYS A 25 -5.227 -5.660 4.348 1.00 0.00 N ATOM 357 CA LYS A 25 -6.114 -5.347 5.463 1.00 0.00 C ATOM 358 C LYS A 25 -7.488 -5.975 5.259 1.00 0.00 C ATOM 359 O LYS A 25 -8.218 -6.218 6.220 1.00 0.00 O ATOM 360 CB LYS A 25 -6.252 -3.831 5.622 1.00 0.00 C ATOM 361 CG LYS A 25 -4.987 -3.153 6.120 1.00 0.00 C ATOM 362 CD LYS A 25 -4.867 -3.237 7.632 1.00 0.00 C ATOM 363 CE LYS A 25 -3.522 -2.718 8.115 1.00 0.00 C ATOM 364 NZ LYS A 25 -2.483 -3.786 8.116 1.00 0.00 N ATOM 0 H LYS A 25 -5.571 -5.354 3.438 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.676 -5.763 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.532 -3.398 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.065 -3.620 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.117 -3.620 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.988 -2.107 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.668 -2.660 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.995 -4.271 7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.198 -1.897 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.629 -2.314 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.594 -3.405 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.802 -4.581 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.326 -4.119 7.143 1.00 0.00 H new ATOM 378 N ILE A 26 -7.832 -6.237 4.003 1.00 0.00 N ATOM 379 CA ILE A 26 -9.119 -6.839 3.674 1.00 0.00 C ATOM 380 C ILE A 26 -9.454 -7.977 4.632 1.00 0.00 C ATOM 381 O ILE A 26 -10.482 -7.969 5.310 1.00 0.00 O ATOM 382 CB ILE A 26 -9.136 -7.377 2.230 1.00 0.00 C ATOM 383 CG1 ILE A 26 -9.621 -6.294 1.266 1.00 0.00 C ATOM 384 CG2 ILE A 26 -10.019 -8.612 2.136 1.00 0.00 C ATOM 385 CD1 ILE A 26 -9.296 -6.585 -0.183 1.00 0.00 C ATOM 0 H ILE A 26 -7.238 -6.042 3.197 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.869 -6.054 3.770 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.121 -7.658 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.700 -6.181 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.172 -5.341 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.021 -8.981 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.633 -9.386 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.036 -8.355 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.670 -5.775 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.216 -6.669 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.768 -7.521 -0.481 1.00 0.00 H new ATOM 397 N PRO A 27 -8.566 -8.980 4.694 1.00 0.00 N ATOM 398 CA PRO A 27 -8.744 -10.144 5.568 1.00 0.00 C ATOM 399 C PRO A 27 -8.592 -9.788 7.043 1.00 0.00 C ATOM 400 O PRO A 27 -9.078 -10.506 7.917 1.00 0.00 O ATOM 401 CB PRO A 27 -7.626 -11.092 5.129 1.00 0.00 C ATOM 402 CG PRO A 27 -6.581 -10.203 4.548 1.00 0.00 C ATOM 403 CD PRO A 27 -7.318 -9.056 3.915 1.00 0.00 C ATOM 0 HA PRO A 27 -9.743 -10.572 5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.236 -11.662 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.984 -11.814 4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.897 -9.849 5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.981 -10.736 3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.748 -8.129 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.514 -9.239 2.859 1.00 0.00 H new ATOM 411 N GLU A 28 -7.916 -8.676 7.313 1.00 0.00 N ATOM 412 CA GLU A 28 -7.700 -8.228 8.683 1.00 0.00 C ATOM 413 C GLU A 28 -8.995 -7.694 9.291 1.00 0.00 C ATOM 414 O GLU A 28 -9.236 -7.836 10.491 1.00 0.00 O ATOM 415 CB GLU A 28 -6.620 -7.145 8.726 1.00 0.00 C ATOM 416 CG GLU A 28 -6.246 -6.712 10.134 1.00 0.00 C ATOM 417 CD GLU A 28 -5.237 -5.580 10.148 1.00 0.00 C ATOM 418 OE1 GLU A 28 -4.028 -5.860 10.012 1.00 0.00 O ATOM 419 OE2 GLU A 28 -5.658 -4.413 10.293 1.00 0.00 O ATOM 0 H GLU A 28 -7.509 -8.069 6.601 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.368 -9.085 9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.728 -7.513 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.967 -6.275 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.145 -6.399 10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.837 -7.565 10.676 1.00 0.00 H new ATOM 426 N LEU A 29 -9.823 -7.078 8.455 1.00 0.00 N ATOM 427 CA LEU A 29 -11.093 -6.522 8.907 1.00 0.00 C ATOM 428 C LEU A 29 -12.160 -7.607 9.004 1.00 0.00 C ATOM 429 O LEU A 29 -12.871 -7.707 10.004 1.00 0.00 O ATOM 430 CB LEU A 29 -11.557 -5.417 7.957 1.00 0.00 C ATOM 431 CG LEU A 29 -10.675 -4.170 7.893 1.00 0.00 C ATOM 432 CD1 LEU A 29 -11.006 -3.344 6.661 1.00 0.00 C ATOM 433 CD2 LEU A 29 -10.838 -3.337 9.157 1.00 0.00 C ATOM 0 H LEU A 29 -9.638 -6.951 7.460 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.942 -6.098 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.631 -5.836 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.561 -5.112 8.250 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.635 -4.487 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.368 -2.461 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.837 -3.942 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.051 -3.036 6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.203 -2.453 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.879 -3.030 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.549 -3.931 10.024 1.00 0.00 H new ATOM 445 N ARG A 30 -12.266 -8.420 7.958 1.00 0.00 N ATOM 446 CA ARG A 30 -13.245 -9.500 7.925 1.00 0.00 C ATOM 447 C ARG A 30 -13.350 -10.180 9.287 1.00 0.00 C ATOM 448 O ARG A 30 -14.449 -10.468 9.764 1.00 0.00 O ATOM 449 CB ARG A 30 -12.866 -10.528 6.857 1.00 0.00 C ATOM 450 CG ARG A 30 -13.373 -10.178 5.468 1.00 0.00 C ATOM 451 CD ARG A 30 -12.839 -11.144 4.421 1.00 0.00 C ATOM 452 NE ARG A 30 -13.717 -12.297 4.241 1.00 0.00 N ATOM 453 CZ ARG A 30 -14.938 -12.217 3.725 1.00 0.00 C ATOM 454 NH1 ARG A 30 -15.424 -11.045 3.339 1.00 0.00 N ATOM 455 NH2 ARG A 30 -15.677 -13.312 3.592 1.00 0.00 N ATOM 0 H ARG A 30 -11.686 -8.351 7.122 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.215 -9.070 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.781 -10.623 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.263 -11.502 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.463 -10.198 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.071 -9.162 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.726 -10.622 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.847 -11.486 4.716 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.374 -13.214 4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.860 -10.201 3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.362 -10.987 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.307 -14.216 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.615 -13.249 3.196 1.00 0.00 H new ATOM 469 N ARG A 31 -12.203 -10.433 9.907 1.00 0.00 N ATOM 470 CA ARG A 31 -12.166 -11.080 11.213 1.00 0.00 C ATOM 471 C ARG A 31 -12.701 -10.149 12.297 1.00 0.00 C ATOM 472 O ARG A 31 -13.427 -10.577 13.194 1.00 0.00 O ATOM 473 CB ARG A 31 -10.738 -11.509 11.553 1.00 0.00 C ATOM 474 CG ARG A 31 -10.368 -12.879 11.012 1.00 0.00 C ATOM 475 CD ARG A 31 -9.161 -13.457 11.733 1.00 0.00 C ATOM 476 NE ARG A 31 -9.521 -14.043 13.022 1.00 0.00 N ATOM 477 CZ ARG A 31 -8.635 -14.362 13.958 1.00 0.00 C ATOM 478 NH1 ARG A 31 -7.343 -14.152 13.752 1.00 0.00 N ATOM 479 NH2 ARG A 31 -9.042 -14.892 15.105 1.00 0.00 N ATOM 0 H ARG A 31 -11.286 -10.200 9.526 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.803 -11.963 11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.042 -10.771 11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.617 -11.511 12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.216 -13.555 11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.155 -12.804 9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.695 -14.218 11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.420 -12.672 11.886 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.508 -14.217 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.027 -13.744 12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.665 -14.398 14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.036 -15.054 15.268 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.361 -15.137 15.824 1.00 0.00 H new ATOM 493 N ARG A 32 -12.338 -8.874 12.206 1.00 0.00 N ATOM 494 CA ARG A 32 -12.780 -7.882 13.179 1.00 0.00 C ATOM 495 C ARG A 32 -14.303 -7.857 13.278 1.00 0.00 C ATOM 496 O ARG A 32 -14.862 -7.752 14.368 1.00 0.00 O ATOM 497 CB ARG A 32 -12.261 -6.495 12.798 1.00 0.00 C ATOM 498 CG ARG A 32 -10.791 -6.283 13.125 1.00 0.00 C ATOM 499 CD ARG A 32 -10.493 -4.823 13.430 1.00 0.00 C ATOM 500 NE ARG A 32 -11.068 -4.402 14.705 1.00 0.00 N ATOM 501 CZ ARG A 32 -10.922 -3.182 15.209 1.00 0.00 C ATOM 502 NH1 ARG A 32 -10.223 -2.268 14.550 1.00 0.00 N ATOM 503 NH2 ARG A 32 -11.475 -2.874 16.375 1.00 0.00 N ATOM 0 H ARG A 32 -11.739 -8.503 11.468 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.374 -8.160 14.152 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.413 -6.341 11.730 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.852 -5.740 13.316 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.515 -6.898 13.981 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.179 -6.613 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.414 -4.670 13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.888 -4.197 12.630 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.611 -5.082 15.237 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.796 -2.501 13.654 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.113 -1.332 14.939 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.013 -3.575 16.885 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.362 -1.937 16.761 1.00 0.00 H new ATOM 517 N GLY A 33 -14.966 -7.956 12.129 1.00 0.00 N ATOM 518 CA GLY A 33 -16.417 -7.942 12.108 1.00 0.00 C ATOM 519 C GLY A 33 -16.974 -6.810 11.269 1.00 0.00 C ATOM 520 O GLY A 33 -17.937 -6.150 11.665 1.00 0.00 O ATOM 0 H GLY A 33 -14.524 -8.046 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.781 -8.892 11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.791 -7.852 13.128 1.00 0.00 H new ATOM 524 N LEU A 34 -16.368 -6.581 10.110 1.00 0.00 N ATOM 525 CA LEU A 34 -16.808 -5.519 9.213 1.00 0.00 C ATOM 526 C LEU A 34 -17.089 -6.065 7.816 1.00 0.00 C ATOM 527 O LEU A 34 -16.408 -6.968 7.328 1.00 0.00 O ATOM 528 CB LEU A 34 -15.750 -4.416 9.138 1.00 0.00 C ATOM 529 CG LEU A 34 -15.508 -3.630 10.427 1.00 0.00 C ATOM 530 CD1 LEU A 34 -14.287 -2.734 10.285 1.00 0.00 C ATOM 531 CD2 LEU A 34 -16.736 -2.807 10.788 1.00 0.00 C ATOM 0 H LEU A 34 -15.570 -7.117 9.769 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.732 -5.102 9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.807 -4.865 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.041 -3.714 8.357 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.321 -4.340 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.131 -2.183 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.410 -3.345 10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.445 -2.031 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.546 -2.254 11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.954 -2.106 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.589 -3.470 10.933 1.00 0.00 H new ATOM 543 N PRO A 35 -18.114 -5.505 7.157 1.00 0.00 N ATOM 544 CA PRO A 35 -18.505 -5.920 5.806 1.00 0.00 C ATOM 545 C PRO A 35 -17.478 -5.514 4.754 1.00 0.00 C ATOM 546 O PRO A 35 -17.576 -4.442 4.158 1.00 0.00 O ATOM 547 CB PRO A 35 -19.826 -5.180 5.578 1.00 0.00 C ATOM 548 CG PRO A 35 -19.753 -3.990 6.470 1.00 0.00 C ATOM 549 CD PRO A 35 -18.969 -4.426 7.677 1.00 0.00 C ATOM 0 HA PRO A 35 -18.586 -7.004 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -19.940 -4.886 4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -20.680 -5.809 5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -19.264 -3.155 5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -20.750 -3.652 6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.378 -3.608 8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -19.623 -4.780 8.474 1.00 0.00 H new ATOM 557 N VAL A 36 -16.494 -6.379 4.530 1.00 0.00 N ATOM 558 CA VAL A 36 -15.449 -6.110 3.549 1.00 0.00 C ATOM 559 C VAL A 36 -15.291 -7.279 2.583 1.00 0.00 C ATOM 560 O VAL A 36 -14.752 -8.325 2.941 1.00 0.00 O ATOM 561 CB VAL A 36 -14.097 -5.835 4.230 1.00 0.00 C ATOM 562 CG1 VAL A 36 -13.972 -4.363 4.595 1.00 0.00 C ATOM 563 CG2 VAL A 36 -13.931 -6.714 5.461 1.00 0.00 C ATOM 0 H VAL A 36 -16.398 -7.272 5.014 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.754 -5.222 2.995 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.300 -6.079 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.009 -4.188 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.042 -3.757 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.775 -4.088 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.969 -6.506 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.733 -6.504 6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.972 -7.763 5.167 1.00 0.00 H new ATOM 573 N ALA A 37 -15.764 -7.093 1.355 1.00 0.00 N ATOM 574 CA ALA A 37 -15.672 -8.130 0.335 1.00 0.00 C ATOM 575 C ALA A 37 -14.435 -7.936 -0.535 1.00 0.00 C ATOM 576 O ALA A 37 -13.742 -8.897 -0.870 1.00 0.00 O ATOM 577 CB ALA A 37 -16.928 -8.140 -0.523 1.00 0.00 C ATOM 0 H ALA A 37 -16.215 -6.233 1.042 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.582 -9.093 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.845 -8.919 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.797 -8.336 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.044 -7.172 -1.010 1.00 0.00 H new ATOM 583 N ARG A 38 -14.165 -6.688 -0.901 1.00 0.00 N ATOM 584 CA ARG A 38 -13.012 -6.368 -1.735 1.00 0.00 C ATOM 585 C ARG A 38 -12.333 -5.088 -1.258 1.00 0.00 C ATOM 586 O ARG A 38 -12.745 -4.488 -0.265 1.00 0.00 O ATOM 587 CB ARG A 38 -13.440 -6.216 -3.197 1.00 0.00 C ATOM 588 CG ARG A 38 -14.446 -5.099 -3.424 1.00 0.00 C ATOM 589 CD ARG A 38 -15.338 -5.388 -4.621 1.00 0.00 C ATOM 590 NE ARG A 38 -15.991 -4.182 -5.121 1.00 0.00 N ATOM 591 CZ ARG A 38 -16.987 -4.194 -6.000 1.00 0.00 C ATOM 592 NH1 ARG A 38 -17.442 -5.346 -6.473 1.00 0.00 N ATOM 593 NH2 ARG A 38 -17.530 -3.054 -6.406 1.00 0.00 N ATOM 0 H ARG A 38 -14.729 -5.881 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.299 -7.188 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.557 -6.028 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.871 -7.157 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.061 -4.975 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.918 -4.158 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.742 -5.834 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -16.095 -6.120 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.664 -3.279 -4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -17.027 -6.224 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -18.207 -5.354 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.183 -2.166 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.295 -3.065 -7.081 1.00 0.00 H new ATOM 607 N VAL A 39 -11.290 -4.677 -1.971 1.00 0.00 N ATOM 608 CA VAL A 39 -10.554 -3.468 -1.620 1.00 0.00 C ATOM 609 C VAL A 39 -11.482 -2.261 -1.541 1.00 0.00 C ATOM 610 O VAL A 39 -11.476 -1.523 -0.557 1.00 0.00 O ATOM 611 CB VAL A 39 -9.436 -3.175 -2.639 1.00 0.00 C ATOM 612 CG1 VAL A 39 -8.856 -1.788 -2.412 1.00 0.00 C ATOM 613 CG2 VAL A 39 -8.350 -4.238 -2.557 1.00 0.00 C ATOM 0 H VAL A 39 -10.935 -5.163 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.108 -3.644 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.864 -3.202 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.068 -1.599 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.642 -1.042 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.441 -1.727 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.568 -4.016 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.923 -4.245 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.780 -5.215 -2.775 1.00 0.00 H new ATOM 623 N ALA A 40 -12.282 -2.068 -2.585 1.00 0.00 N ATOM 624 CA ALA A 40 -13.219 -0.953 -2.633 1.00 0.00 C ATOM 625 C ALA A 40 -14.002 -0.837 -1.331 1.00 0.00 C ATOM 626 O ALA A 40 -14.431 0.252 -0.948 1.00 0.00 O ATOM 627 CB ALA A 40 -14.170 -1.113 -3.811 1.00 0.00 C ATOM 0 H ALA A 40 -12.300 -2.670 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.646 -0.035 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.864 -0.273 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.599 -1.138 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.729 -2.043 -3.704 1.00 0.00 H new ATOM 633 N ASP A 41 -14.185 -1.965 -0.653 1.00 0.00 N ATOM 634 CA ASP A 41 -14.916 -1.990 0.608 1.00 0.00 C ATOM 635 C ASP A 41 -13.999 -1.634 1.775 1.00 0.00 C ATOM 636 O ASP A 41 -14.379 -0.876 2.667 1.00 0.00 O ATOM 637 CB ASP A 41 -15.539 -3.368 0.834 1.00 0.00 C ATOM 638 CG ASP A 41 -16.829 -3.554 0.058 1.00 0.00 C ATOM 639 OD1 ASP A 41 -16.782 -3.505 -1.188 1.00 0.00 O ATOM 640 OD2 ASP A 41 -17.884 -3.749 0.698 1.00 0.00 O ATOM 0 H ASP A 41 -13.837 -2.874 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.711 -1.246 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.827 -4.139 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.735 -3.505 1.897 1.00 0.00 H new ATOM 645 N ALA A 42 -12.792 -2.189 1.761 1.00 0.00 N ATOM 646 CA ALA A 42 -11.821 -1.931 2.818 1.00 0.00 C ATOM 647 C ALA A 42 -11.070 -0.627 2.567 1.00 0.00 C ATOM 648 O ALA A 42 -10.113 -0.306 3.271 1.00 0.00 O ATOM 649 CB ALA A 42 -10.844 -3.092 2.932 1.00 0.00 C ATOM 0 H ALA A 42 -12.463 -2.820 1.030 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.362 -1.833 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.125 -2.886 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.390 -4.006 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.316 -3.217 1.987 1.00 0.00 H new ATOM 655 N ILE A 43 -11.511 0.119 1.558 1.00 0.00 N ATOM 656 CA ILE A 43 -10.880 1.387 1.216 1.00 0.00 C ATOM 657 C ILE A 43 -11.097 2.424 2.313 1.00 0.00 C ATOM 658 O ILE A 43 -10.152 2.960 2.890 1.00 0.00 O ATOM 659 CB ILE A 43 -11.420 1.942 -0.115 1.00 0.00 C ATOM 660 CG1 ILE A 43 -10.566 1.450 -1.284 1.00 0.00 C ATOM 661 CG2 ILE A 43 -11.453 3.463 -0.080 1.00 0.00 C ATOM 662 CD1 ILE A 43 -11.006 1.991 -2.626 1.00 0.00 C ATOM 0 H ILE A 43 -12.301 -0.133 0.965 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.813 1.191 1.113 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.438 1.578 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.528 1.734 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.598 0.361 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.837 3.841 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.101 3.794 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.445 3.845 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.355 1.600 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.033 1.685 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.947 3.079 -2.616 1.00 0.00 H new ATOM 674 N PRO A 44 -12.374 2.713 2.609 1.00 0.00 N ATOM 675 CA PRO A 44 -12.746 3.685 3.641 1.00 0.00 C ATOM 676 C PRO A 44 -12.429 3.189 5.046 1.00 0.00 C ATOM 677 O PRO A 44 -11.931 3.941 5.884 1.00 0.00 O ATOM 678 CB PRO A 44 -14.258 3.837 3.455 1.00 0.00 C ATOM 679 CG PRO A 44 -14.693 2.557 2.830 1.00 0.00 C ATOM 680 CD PRO A 44 -13.551 2.111 1.961 1.00 0.00 C ATOM 0 HA PRO A 44 -12.194 4.619 3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.760 4.003 4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.495 4.689 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.920 1.809 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.599 2.699 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.476 1.024 1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.667 2.460 0.935 1.00 0.00 H new ATOM 688 N TYR A 45 -12.720 1.918 5.300 1.00 0.00 N ATOM 689 CA TYR A 45 -12.467 1.322 6.607 1.00 0.00 C ATOM 690 C TYR A 45 -10.989 1.412 6.970 1.00 0.00 C ATOM 691 O TYR A 45 -10.602 1.159 8.111 1.00 0.00 O ATOM 692 CB TYR A 45 -12.918 -0.140 6.619 1.00 0.00 C ATOM 693 CG TYR A 45 -14.398 -0.320 6.366 1.00 0.00 C ATOM 694 CD1 TYR A 45 -15.341 0.352 7.134 1.00 0.00 C ATOM 695 CD2 TYR A 45 -14.854 -1.160 5.357 1.00 0.00 C ATOM 696 CE1 TYR A 45 -16.694 0.191 6.907 1.00 0.00 C ATOM 697 CE2 TYR A 45 -16.205 -1.326 5.122 1.00 0.00 C ATOM 698 CZ TYR A 45 -17.121 -0.650 5.900 1.00 0.00 C ATOM 699 OH TYR A 45 -18.468 -0.811 5.670 1.00 0.00 O ATOM 0 H TYR A 45 -13.131 1.280 4.618 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.039 1.879 7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.359 -0.690 5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.667 -0.581 7.584 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.010 1.012 7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.140 -1.692 4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.413 0.720 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.542 -1.982 4.333 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.602 -1.233 4.796 1.00 0.00 H new ATOM 709 N CYS A 46 -10.167 1.776 5.992 1.00 0.00 N ATOM 710 CA CYS A 46 -8.730 1.901 6.207 1.00 0.00 C ATOM 711 C CYS A 46 -8.218 3.242 5.693 1.00 0.00 C ATOM 712 O CYS A 46 -7.019 3.418 5.474 1.00 0.00 O ATOM 713 CB CYS A 46 -7.988 0.758 5.513 1.00 0.00 C ATOM 714 SG CYS A 46 -8.006 -0.799 6.433 1.00 0.00 S ATOM 0 H CYS A 46 -10.471 1.990 5.042 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.542 1.848 7.279 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.433 0.593 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.953 1.058 5.348 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.175 -1.789 5.607 1.00 0.00 H new ATOM 720 N SER A 47 -9.134 4.186 5.500 1.00 0.00 N ATOM 721 CA SER A 47 -8.776 5.510 5.005 1.00 0.00 C ATOM 722 C SER A 47 -8.003 6.294 6.061 1.00 0.00 C ATOM 723 O SER A 47 -6.989 6.925 5.764 1.00 0.00 O ATOM 724 CB SER A 47 -10.032 6.283 4.597 1.00 0.00 C ATOM 725 OG SER A 47 -10.859 6.538 5.719 1.00 0.00 O ATOM 0 H SER A 47 -10.130 4.058 5.679 1.00 0.00 H new ATOM 0 HA SER A 47 -8.137 5.383 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.747 7.225 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.588 5.713 3.853 1.00 0.00 H new ATOM 0 HG SER A 47 -11.337 5.719 5.966 1.00 0.00 H new ATOM 731 N SER A 48 -8.491 6.248 7.297 1.00 0.00 N ATOM 732 CA SER A 48 -7.849 6.956 8.398 1.00 0.00 C ATOM 733 C SER A 48 -6.564 6.251 8.822 1.00 0.00 C ATOM 734 O SER A 48 -5.555 6.896 9.109 1.00 0.00 O ATOM 735 CB SER A 48 -8.804 7.061 9.590 1.00 0.00 C ATOM 736 OG SER A 48 -9.792 8.053 9.365 1.00 0.00 O ATOM 0 H SER A 48 -9.328 5.728 7.560 1.00 0.00 H new ATOM 0 HA SER A 48 -7.596 7.959 8.054 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.284 6.097 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.241 7.302 10.492 1.00 0.00 H new ATOM 0 HG SER A 48 -10.391 8.100 10.139 1.00 0.00 H new ATOM 742 N ASP A 49 -6.610 4.925 8.860 1.00 0.00 N ATOM 743 CA ASP A 49 -5.450 4.131 9.249 1.00 0.00 C ATOM 744 C ASP A 49 -4.264 4.418 8.334 1.00 0.00 C ATOM 745 O ASP A 49 -3.116 4.446 8.778 1.00 0.00 O ATOM 746 CB ASP A 49 -5.789 2.640 9.212 1.00 0.00 C ATOM 747 CG ASP A 49 -7.081 2.322 9.938 1.00 0.00 C ATOM 748 OD1 ASP A 49 -8.115 2.937 9.606 1.00 0.00 O ATOM 749 OD2 ASP A 49 -7.057 1.460 10.841 1.00 0.00 O ATOM 0 H ASP A 49 -7.438 4.376 8.626 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.176 4.408 10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.869 2.314 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.974 2.074 9.662 1.00 0.00 H new ATOM 754 N TRP A 50 -4.549 4.629 7.053 1.00 0.00 N ATOM 755 CA TRP A 50 -3.506 4.913 6.075 1.00 0.00 C ATOM 756 C TRP A 50 -2.832 6.249 6.369 1.00 0.00 C ATOM 757 O TRP A 50 -1.619 6.390 6.215 1.00 0.00 O ATOM 758 CB TRP A 50 -4.091 4.922 4.662 1.00 0.00 C ATOM 759 CG TRP A 50 -3.126 5.402 3.621 1.00 0.00 C ATOM 760 CD1 TRP A 50 -3.160 6.596 2.959 1.00 0.00 C ATOM 761 CD2 TRP A 50 -1.983 4.698 3.123 1.00 0.00 C ATOM 762 NE1 TRP A 50 -2.108 6.677 2.079 1.00 0.00 N ATOM 763 CE2 TRP A 50 -1.370 5.525 2.161 1.00 0.00 C ATOM 764 CE3 TRP A 50 -1.416 3.450 3.397 1.00 0.00 C ATOM 765 CZ2 TRP A 50 -0.222 5.142 1.474 1.00 0.00 C ATOM 766 CZ3 TRP A 50 -0.276 3.071 2.714 1.00 0.00 C ATOM 767 CH2 TRP A 50 0.312 3.915 1.762 1.00 0.00 C ATOM 0 H TRP A 50 -5.494 4.609 6.668 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.755 4.126 6.144 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.418 3.914 4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -4.976 5.558 4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -3.905 7.364 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -1.909 7.466 1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.861 2.793 4.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.232 5.790 0.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.169 2.108 2.917 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.204 3.591 1.246 1.00 0.00 H new ATOM 778 N ALA A 51 -3.626 7.226 6.793 1.00 0.00 N ATOM 779 CA ALA A 51 -3.106 8.551 7.109 1.00 0.00 C ATOM 780 C ALA A 51 -2.235 8.513 8.361 1.00 0.00 C ATOM 781 O ALA A 51 -1.532 9.475 8.670 1.00 0.00 O ATOM 782 CB ALA A 51 -4.250 9.538 7.291 1.00 0.00 C ATOM 0 H ALA A 51 -4.632 7.125 6.926 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.486 8.880 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.847 10.523 7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.832 9.595 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.892 9.204 8.106 1.00 0.00 H new ATOM 788 N LEU A 52 -2.286 7.395 9.078 1.00 0.00 N ATOM 789 CA LEU A 52 -1.502 7.232 10.297 1.00 0.00 C ATOM 790 C LEU A 52 -0.098 6.725 9.978 1.00 0.00 C ATOM 791 O LEU A 52 0.831 6.904 10.766 1.00 0.00 O ATOM 792 CB LEU A 52 -2.201 6.262 11.251 1.00 0.00 C ATOM 793 CG LEU A 52 -3.567 6.705 11.777 1.00 0.00 C ATOM 794 CD1 LEU A 52 -4.262 5.558 12.492 1.00 0.00 C ATOM 795 CD2 LEU A 52 -3.417 7.903 12.705 1.00 0.00 C ATOM 0 H LEU A 52 -2.862 6.589 8.836 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.417 8.207 10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.323 5.307 10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.545 6.087 12.104 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.183 7.002 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.232 5.893 12.859 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.403 4.729 11.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.650 5.229 13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.398 8.205 13.070 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.783 7.632 13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.962 8.730 12.160 1.00 0.00 H new ATOM 807 N LEU A 53 0.048 6.096 8.818 1.00 0.00 N ATOM 808 CA LEU A 53 1.339 5.565 8.392 1.00 0.00 C ATOM 809 C LEU A 53 2.370 6.682 8.265 1.00 0.00 C ATOM 810 O LEU A 53 2.019 7.851 8.109 1.00 0.00 O ATOM 811 CB LEU A 53 1.196 4.832 7.057 1.00 0.00 C ATOM 812 CG LEU A 53 0.787 3.361 7.140 1.00 0.00 C ATOM 813 CD1 LEU A 53 0.088 2.929 5.860 1.00 0.00 C ATOM 814 CD2 LEU A 53 2.001 2.484 7.408 1.00 0.00 C ATOM 0 H LEU A 53 -0.711 5.941 8.155 1.00 0.00 H new ATOM 0 HA LEU A 53 1.684 4.861 9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.458 5.360 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.146 4.895 6.527 1.00 0.00 H new ATOM 0 HG LEU A 53 0.089 3.244 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.196 1.879 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.805 3.536 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.763 3.061 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.691 1.441 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.723 2.605 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.460 2.777 8.352 1.00 0.00 H new ATOM 826 N ARG A 54 3.645 6.311 8.330 1.00 0.00 N ATOM 827 CA ARG A 54 4.728 7.281 8.220 1.00 0.00 C ATOM 828 C ARG A 54 5.193 7.418 6.774 1.00 0.00 C ATOM 829 O ARG A 54 5.017 6.505 5.968 1.00 0.00 O ATOM 830 CB ARG A 54 5.904 6.866 9.108 1.00 0.00 C ATOM 831 CG ARG A 54 5.490 6.441 10.507 1.00 0.00 C ATOM 832 CD ARG A 54 5.472 7.621 11.466 1.00 0.00 C ATOM 833 NE ARG A 54 4.287 8.455 11.287 1.00 0.00 N ATOM 834 CZ ARG A 54 3.099 8.164 11.805 1.00 0.00 C ATOM 835 NH1 ARG A 54 2.939 7.066 12.531 1.00 0.00 N ATOM 836 NH2 ARG A 54 2.067 8.972 11.597 1.00 0.00 N ATOM 0 H ARG A 54 3.953 5.347 8.458 1.00 0.00 H new ATOM 0 HA ARG A 54 4.351 8.248 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.437 6.044 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.604 7.698 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.501 5.984 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.179 5.681 10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.505 7.255 12.492 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.366 8.225 11.314 1.00 0.00 H new ATOM 0 HE ARG A 54 4.376 9.307 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.729 6.442 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.025 6.845 12.927 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.186 9.817 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.155 8.748 11.995 1.00 0.00 H new ATOM 850 N GLU A 55 5.785 8.563 6.453 1.00 0.00 N ATOM 851 CA GLU A 55 6.274 8.818 5.102 1.00 0.00 C ATOM 852 C GLU A 55 7.069 7.627 4.578 1.00 0.00 C ATOM 853 O GLU A 55 6.866 7.180 3.449 1.00 0.00 O ATOM 854 CB GLU A 55 7.144 10.077 5.080 1.00 0.00 C ATOM 855 CG GLU A 55 6.349 11.365 4.950 1.00 0.00 C ATOM 856 CD GLU A 55 7.163 12.496 4.354 1.00 0.00 C ATOM 857 OE1 GLU A 55 8.128 12.943 5.008 1.00 0.00 O ATOM 858 OE2 GLU A 55 6.835 12.934 3.231 1.00 0.00 O ATOM 0 H GLU A 55 5.938 9.329 7.109 1.00 0.00 H new ATOM 0 HA GLU A 55 5.412 8.970 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.735 10.116 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.846 10.008 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.473 11.185 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.985 11.663 5.933 1.00 0.00 H new ATOM 865 N GLU A 56 7.977 7.117 5.405 1.00 0.00 N ATOM 866 CA GLU A 56 8.804 5.979 5.024 1.00 0.00 C ATOM 867 C GLU A 56 7.939 4.786 4.628 1.00 0.00 C ATOM 868 O GLU A 56 8.191 4.133 3.615 1.00 0.00 O ATOM 869 CB GLU A 56 9.735 5.588 6.174 1.00 0.00 C ATOM 870 CG GLU A 56 10.836 6.601 6.436 1.00 0.00 C ATOM 871 CD GLU A 56 12.050 5.984 7.104 1.00 0.00 C ATOM 872 OE1 GLU A 56 11.932 5.553 8.270 1.00 0.00 O ATOM 873 OE2 GLU A 56 13.117 5.931 6.458 1.00 0.00 O ATOM 0 H GLU A 56 8.158 7.474 6.343 1.00 0.00 H new ATOM 0 HA GLU A 56 9.405 6.272 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.145 5.462 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.187 4.622 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.137 7.057 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.446 7.401 7.066 1.00 0.00 H new ATOM 880 N GLU A 57 6.919 4.508 5.434 1.00 0.00 N ATOM 881 CA GLU A 57 6.017 3.393 5.169 1.00 0.00 C ATOM 882 C GLU A 57 5.330 3.559 3.816 1.00 0.00 C ATOM 883 O GLU A 57 5.396 2.677 2.960 1.00 0.00 O ATOM 884 CB GLU A 57 4.968 3.281 6.276 1.00 0.00 C ATOM 885 CG GLU A 57 5.562 3.211 7.672 1.00 0.00 C ATOM 886 CD GLU A 57 6.762 2.286 7.751 1.00 0.00 C ATOM 887 OE1 GLU A 57 6.586 1.069 7.534 1.00 0.00 O ATOM 888 OE2 GLU A 57 7.875 2.779 8.028 1.00 0.00 O ATOM 0 H GLU A 57 6.697 5.039 6.276 1.00 0.00 H new ATOM 0 HA GLU A 57 6.609 2.478 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.298 4.139 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.363 2.391 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.858 4.212 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.798 2.870 8.371 1.00 0.00 H new ATOM 895 N LYS A 58 4.670 4.698 3.631 1.00 0.00 N ATOM 896 CA LYS A 58 3.969 4.983 2.385 1.00 0.00 C ATOM 897 C LYS A 58 4.881 4.751 1.184 1.00 0.00 C ATOM 898 O LYS A 58 4.488 4.110 0.210 1.00 0.00 O ATOM 899 CB LYS A 58 3.460 6.426 2.380 1.00 0.00 C ATOM 900 CG LYS A 58 2.685 6.800 3.631 1.00 0.00 C ATOM 901 CD LYS A 58 1.888 8.079 3.432 1.00 0.00 C ATOM 902 CE LYS A 58 0.815 8.240 4.498 1.00 0.00 C ATOM 903 NZ LYS A 58 1.333 8.947 5.702 1.00 0.00 N ATOM 0 H LYS A 58 4.606 5.439 4.329 1.00 0.00 H new ATOM 0 HA LYS A 58 3.119 4.305 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.309 7.102 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.822 6.575 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.010 5.987 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.376 6.927 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.561 8.936 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.424 8.070 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.027 8.795 4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.439 7.258 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.631 9.644 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.510 8.257 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.220 9.434 5.463 1.00 0.00 H new ATOM 917 N GLU A 59 6.100 5.275 1.261 1.00 0.00 N ATOM 918 CA GLU A 59 7.067 5.124 0.180 1.00 0.00 C ATOM 919 C GLU A 59 7.340 3.649 -0.103 1.00 0.00 C ATOM 920 O GLU A 59 7.319 3.211 -1.254 1.00 0.00 O ATOM 921 CB GLU A 59 8.374 5.838 0.531 1.00 0.00 C ATOM 922 CG GLU A 59 9.126 6.360 -0.682 1.00 0.00 C ATOM 923 CD GLU A 59 8.347 7.414 -1.443 1.00 0.00 C ATOM 924 OE1 GLU A 59 7.957 8.427 -0.824 1.00 0.00 O ATOM 925 OE2 GLU A 59 8.127 7.229 -2.658 1.00 0.00 O ATOM 0 H GLU A 59 6.442 5.808 2.061 1.00 0.00 H new ATOM 0 HA GLU A 59 6.644 5.576 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.155 6.671 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.018 5.151 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.079 6.780 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.353 5.529 -1.350 1.00 0.00 H new ATOM 932 N LYS A 60 7.598 2.889 0.956 1.00 0.00 N ATOM 933 CA LYS A 60 7.875 1.463 0.823 1.00 0.00 C ATOM 934 C LYS A 60 6.758 0.758 0.061 1.00 0.00 C ATOM 935 O LYS A 60 7.009 0.050 -0.914 1.00 0.00 O ATOM 936 CB LYS A 60 8.044 0.825 2.205 1.00 0.00 C ATOM 937 CG LYS A 60 7.859 -0.682 2.206 1.00 0.00 C ATOM 938 CD LYS A 60 7.801 -1.236 3.620 1.00 0.00 C ATOM 939 CE LYS A 60 6.377 -1.257 4.153 1.00 0.00 C ATOM 940 NZ LYS A 60 6.342 -1.378 5.637 1.00 0.00 N ATOM 0 H LYS A 60 7.621 3.236 1.915 1.00 0.00 H new ATOM 0 HA LYS A 60 8.801 1.350 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.038 1.061 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.325 1.271 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.941 -0.937 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.680 -1.151 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.210 -2.246 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.427 -0.630 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.863 -0.345 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.835 -2.091 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.432 -1.788 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.118 -1.994 5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.452 -0.436 6.065 1.00 0.00 H new ATOM 954 N TYR A 61 5.523 0.960 0.510 1.00 0.00 N ATOM 955 CA TYR A 61 4.368 0.344 -0.131 1.00 0.00 C ATOM 956 C TYR A 61 4.293 0.727 -1.605 1.00 0.00 C ATOM 957 O TYR A 61 4.006 -0.109 -2.461 1.00 0.00 O ATOM 958 CB TYR A 61 3.080 0.763 0.582 1.00 0.00 C ATOM 959 CG TYR A 61 2.742 -0.099 1.778 1.00 0.00 C ATOM 960 CD1 TYR A 61 2.039 -1.288 1.625 1.00 0.00 C ATOM 961 CD2 TYR A 61 3.127 0.274 3.059 1.00 0.00 C ATOM 962 CE1 TYR A 61 1.727 -2.077 2.714 1.00 0.00 C ATOM 963 CE2 TYR A 61 2.821 -0.510 4.155 1.00 0.00 C ATOM 964 CZ TYR A 61 2.120 -1.685 3.976 1.00 0.00 C ATOM 965 OH TYR A 61 1.813 -2.470 5.063 1.00 0.00 O ATOM 0 H TYR A 61 5.297 1.545 1.314 1.00 0.00 H new ATOM 0 HA TYR A 61 4.480 -0.738 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.175 1.799 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.253 0.726 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.732 -1.600 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.675 1.193 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.178 -2.997 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.128 -0.205 5.145 1.00 0.00 H new ATOM 0 HH TYR A 61 2.163 -2.052 5.878 1.00 0.00 H new ATOM 975 N ALA A 62 4.555 1.998 -1.894 1.00 0.00 N ATOM 976 CA ALA A 62 4.521 2.492 -3.265 1.00 0.00 C ATOM 977 C ALA A 62 5.614 1.847 -4.109 1.00 0.00 C ATOM 978 O ALA A 62 5.373 1.431 -5.242 1.00 0.00 O ATOM 979 CB ALA A 62 4.662 4.008 -3.283 1.00 0.00 C ATOM 0 H ALA A 62 4.793 2.704 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 62 3.558 2.222 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.635 4.364 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.842 4.456 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.610 4.291 -2.826 1.00 0.00 H new ATOM 985 N GLU A 63 6.819 1.768 -3.550 1.00 0.00 N ATOM 986 CA GLU A 63 7.949 1.174 -4.253 1.00 0.00 C ATOM 987 C GLU A 63 7.652 -0.272 -4.638 1.00 0.00 C ATOM 988 O GLU A 63 7.823 -0.666 -5.791 1.00 0.00 O ATOM 989 CB GLU A 63 9.207 1.234 -3.384 1.00 0.00 C ATOM 990 CG GLU A 63 9.982 2.533 -3.523 1.00 0.00 C ATOM 991 CD GLU A 63 11.184 2.598 -2.602 1.00 0.00 C ATOM 992 OE1 GLU A 63 11.022 2.323 -1.394 1.00 0.00 O ATOM 993 OE2 GLU A 63 12.288 2.921 -3.088 1.00 0.00 O ATOM 0 H GLU A 63 7.036 2.108 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 63 8.118 1.747 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.924 1.100 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.860 0.402 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.314 2.645 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.319 3.371 -3.309 1.00 0.00 H new ATOM 1000 N MET A 64 7.206 -1.059 -3.663 1.00 0.00 N ATOM 1001 CA MET A 64 6.885 -2.461 -3.900 1.00 0.00 C ATOM 1002 C MET A 64 5.760 -2.596 -4.922 1.00 0.00 C ATOM 1003 O MET A 64 5.734 -3.542 -5.710 1.00 0.00 O ATOM 1004 CB MET A 64 6.483 -3.142 -2.591 1.00 0.00 C ATOM 1005 CG MET A 64 5.121 -2.708 -2.073 1.00 0.00 C ATOM 1006 SD MET A 64 4.443 -3.855 -0.858 1.00 0.00 S ATOM 1007 CE MET A 64 5.260 -3.293 0.634 1.00 0.00 C ATOM 0 H MET A 64 7.059 -0.749 -2.702 1.00 0.00 H new ATOM 0 HA MET A 64 7.775 -2.949 -4.298 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.479 -4.222 -2.739 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.236 -2.927 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.206 -1.718 -1.625 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.429 -2.621 -2.911 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.585 -4.154 1.217 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.126 -2.687 0.368 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.567 -2.695 1.225 1.00 0.00 H new ATOM 1017 N ALA A 65 4.833 -1.643 -4.905 1.00 0.00 N ATOM 1018 CA ALA A 65 3.707 -1.657 -5.831 1.00 0.00 C ATOM 1019 C ALA A 65 4.179 -1.472 -7.269 1.00 0.00 C ATOM 1020 O ALA A 65 3.949 -2.330 -8.123 1.00 0.00 O ATOM 1021 CB ALA A 65 2.706 -0.573 -5.459 1.00 0.00 C ATOM 0 H ALA A 65 4.840 -0.852 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 65 3.218 -2.629 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.870 -0.594 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.338 -0.749 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.192 0.402 -5.504 1.00 0.00 H new ATOM 1027 N ARG A 66 4.838 -0.348 -7.532 1.00 0.00 N ATOM 1028 CA ARG A 66 5.340 -0.051 -8.868 1.00 0.00 C ATOM 1029 C ARG A 66 6.331 -1.117 -9.326 1.00 0.00 C ATOM 1030 O ARG A 66 6.145 -1.743 -10.370 1.00 0.00 O ATOM 1031 CB ARG A 66 6.008 1.324 -8.891 1.00 0.00 C ATOM 1032 CG ARG A 66 7.093 1.492 -7.839 1.00 0.00 C ATOM 1033 CD ARG A 66 7.419 2.959 -7.605 1.00 0.00 C ATOM 1034 NE ARG A 66 8.484 3.430 -8.486 1.00 0.00 N ATOM 1035 CZ ARG A 66 9.758 3.074 -8.356 1.00 0.00 C ATOM 1036 NH1 ARG A 66 10.121 2.246 -7.386 1.00 0.00 N ATOM 1037 NH2 ARG A 66 10.670 3.545 -9.197 1.00 0.00 N ATOM 0 H ARG A 66 5.037 0.372 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 66 4.493 -0.048 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.441 1.492 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.248 2.091 -8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.768 1.037 -6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.993 0.964 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.524 3.559 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.717 3.103 -6.567 1.00 0.00 H new ATOM 0 HE ARG A 66 8.237 4.067 -9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.422 1.881 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.099 1.974 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.394 4.181 -9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.647 3.271 -9.096 1.00 0.00 H new ATOM 1051 N GLU A 67 7.384 -1.317 -8.539 1.00 0.00 N ATOM 1052 CA GLU A 67 8.403 -2.307 -8.865 1.00 0.00 C ATOM 1053 C GLU A 67 7.771 -3.662 -9.169 1.00 0.00 C ATOM 1054 O GLU A 67 8.255 -4.408 -10.019 1.00 0.00 O ATOM 1055 CB GLU A 67 9.400 -2.445 -7.712 1.00 0.00 C ATOM 1056 CG GLU A 67 10.193 -1.178 -7.440 1.00 0.00 C ATOM 1057 CD GLU A 67 11.218 -0.887 -8.519 1.00 0.00 C ATOM 1058 OE1 GLU A 67 10.811 -0.631 -9.671 1.00 0.00 O ATOM 1059 OE2 GLU A 67 12.428 -0.918 -8.211 1.00 0.00 O ATOM 0 H GLU A 67 7.553 -0.807 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 67 8.931 -1.965 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.861 -2.727 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.093 -3.256 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.507 -0.335 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.699 -1.270 -6.479 1.00 0.00 H new ATOM 1066 N TRP A 68 6.686 -3.971 -8.468 1.00 0.00 N ATOM 1067 CA TRP A 68 5.986 -5.236 -8.662 1.00 0.00 C ATOM 1068 C TRP A 68 5.310 -5.281 -10.028 1.00 0.00 C ATOM 1069 O TRP A 68 5.510 -6.220 -10.798 1.00 0.00 O ATOM 1070 CB TRP A 68 4.947 -5.442 -7.558 1.00 0.00 C ATOM 1071 CG TRP A 68 4.110 -6.670 -7.751 1.00 0.00 C ATOM 1072 CD1 TRP A 68 4.504 -7.966 -7.576 1.00 0.00 C ATOM 1073 CD2 TRP A 68 2.739 -6.718 -8.158 1.00 0.00 C ATOM 1074 NE1 TRP A 68 3.461 -8.816 -7.850 1.00 0.00 N ATOM 1075 CE2 TRP A 68 2.366 -8.076 -8.209 1.00 0.00 C ATOM 1076 CE3 TRP A 68 1.788 -5.746 -8.484 1.00 0.00 C ATOM 1077 CZ2 TRP A 68 1.084 -8.482 -8.572 1.00 0.00 C ATOM 1078 CZ3 TRP A 68 0.518 -6.151 -8.844 1.00 0.00 C ATOM 1079 CH2 TRP A 68 0.175 -7.509 -8.885 1.00 0.00 C ATOM 0 H TRP A 68 6.272 -3.364 -7.761 1.00 0.00 H new ATOM 0 HA TRP A 68 6.721 -6.040 -8.615 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.457 -5.506 -6.597 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.295 -4.570 -7.515 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.491 -8.277 -7.267 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.496 -9.834 -7.795 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.042 -4.697 -8.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.817 -9.528 -8.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.224 -5.408 -9.098 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.827 -7.793 -9.169 1.00 0.00 H new ATOM 1090 N ARG A 69 4.510 -4.261 -10.321 1.00 0.00 N ATOM 1091 CA ARG A 69 3.805 -4.186 -11.595 1.00 0.00 C ATOM 1092 C ARG A 69 4.789 -4.156 -12.761 1.00 0.00 C ATOM 1093 O ARG A 69 4.574 -4.806 -13.783 1.00 0.00 O ATOM 1094 CB ARG A 69 2.913 -2.944 -11.636 1.00 0.00 C ATOM 1095 CG ARG A 69 1.618 -3.098 -10.855 1.00 0.00 C ATOM 1096 CD ARG A 69 0.726 -1.876 -11.008 1.00 0.00 C ATOM 1097 NE ARG A 69 1.247 -0.724 -10.279 1.00 0.00 N ATOM 1098 CZ ARG A 69 2.159 0.108 -10.772 1.00 0.00 C ATOM 1099 NH1 ARG A 69 2.647 -0.085 -11.990 1.00 0.00 N ATOM 1100 NH2 ARG A 69 2.583 1.135 -10.046 1.00 0.00 N ATOM 0 H ARG A 69 4.334 -3.476 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 69 3.183 -5.076 -11.690 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.469 -2.095 -11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.676 -2.712 -12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.086 -3.984 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.844 -3.255 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.633 -1.625 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.275 -2.111 -10.647 1.00 0.00 H new ATOM 0 HE ARG A 69 0.892 -0.548 -9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.323 -0.873 -12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.347 0.555 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.209 1.286 -9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.283 1.773 -10.425 1.00 0.00 H new ATOM 1114 N ALA A 70 5.869 -3.399 -12.599 1.00 0.00 N ATOM 1115 CA ALA A 70 6.887 -3.287 -13.636 1.00 0.00 C ATOM 1116 C ALA A 70 7.531 -4.639 -13.921 1.00 0.00 C ATOM 1117 O ALA A 70 7.633 -5.058 -15.073 1.00 0.00 O ATOM 1118 CB ALA A 70 7.944 -2.270 -13.231 1.00 0.00 C ATOM 0 H ALA A 70 6.062 -2.854 -11.759 1.00 0.00 H new ATOM 0 HA ALA A 70 6.403 -2.945 -14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.698 -2.197 -14.015 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.476 -1.297 -13.086 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.417 -2.587 -12.302 1.00 0.00 H new ATOM 1124 N ALA A 71 7.967 -5.316 -12.863 1.00 0.00 N ATOM 1125 CA ALA A 71 8.601 -6.621 -13.000 1.00 0.00 C ATOM 1126 C ALA A 71 7.617 -7.657 -13.533 1.00 0.00 C ATOM 1127 O ALA A 71 7.996 -8.560 -14.277 1.00 0.00 O ATOM 1128 CB ALA A 71 9.174 -7.072 -11.664 1.00 0.00 C ATOM 0 H ALA A 71 7.892 -4.982 -11.902 1.00 0.00 H new ATOM 0 HA ALA A 71 9.415 -6.528 -13.719 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.645 -8.048 -11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.916 -6.350 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.372 -7.141 -10.929 1.00 0.00 H new ATOM 1134 N GLN A 72 6.353 -7.518 -13.146 1.00 0.00 N ATOM 1135 CA GLN A 72 5.316 -8.444 -13.585 1.00 0.00 C ATOM 1136 C GLN A 72 4.929 -8.182 -15.037 1.00 0.00 C ATOM 1137 O GLN A 72 4.438 -9.071 -15.729 1.00 0.00 O ATOM 1138 CB GLN A 72 4.082 -8.324 -12.688 1.00 0.00 C ATOM 1139 CG GLN A 72 4.260 -8.965 -11.320 1.00 0.00 C ATOM 1140 CD GLN A 72 4.678 -10.420 -11.408 1.00 0.00 C ATOM 1141 OE1 GLN A 72 3.893 -11.280 -11.806 1.00 0.00 O ATOM 1142 NE2 GLN A 72 5.921 -10.702 -11.035 1.00 0.00 N ATOM 0 H GLN A 72 6.023 -6.775 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 72 5.715 -9.456 -13.511 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.839 -7.269 -12.557 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.232 -8.787 -13.189 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.010 -8.409 -10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.325 -8.892 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.538 -9.957 -10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.259 -11.664 -11.072 1.00 0.00 H new ATOM 1151 N GLY A 73 5.155 -6.953 -15.491 1.00 0.00 N ATOM 1152 CA GLY A 73 4.826 -6.594 -16.859 1.00 0.00 C ATOM 1153 C GLY A 73 5.974 -6.842 -17.816 1.00 0.00 C ATOM 1154 O GLY A 73 5.762 -7.226 -18.967 1.00 0.00 O ATOM 0 H GLY A 73 5.560 -6.199 -14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.957 -7.167 -17.183 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.546 -5.541 -16.898 1.00 0.00 H new ATOM 1158 N LYS A 74 7.196 -6.619 -17.342 1.00 0.00 N ATOM 1159 CA LYS A 74 8.384 -6.819 -18.164 1.00 0.00 C ATOM 1160 C LYS A 74 8.260 -6.075 -19.489 1.00 0.00 C ATOM 1161 O LYS A 74 8.617 -6.601 -20.543 1.00 0.00 O ATOM 1162 CB LYS A 74 8.605 -8.311 -18.423 1.00 0.00 C ATOM 1163 CG LYS A 74 8.756 -9.133 -17.154 1.00 0.00 C ATOM 1164 CD LYS A 74 9.145 -10.569 -17.463 1.00 0.00 C ATOM 1165 CE LYS A 74 9.978 -11.174 -16.345 1.00 0.00 C ATOM 1166 NZ LYS A 74 11.308 -10.513 -16.225 1.00 0.00 N ATOM 0 H LYS A 74 7.389 -6.300 -16.393 1.00 0.00 H new ATOM 0 HA LYS A 74 9.242 -6.420 -17.622 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.766 -8.699 -19.000 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.498 -8.437 -19.036 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.513 -8.680 -16.514 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.819 -9.121 -16.598 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.246 -11.167 -17.612 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.708 -10.602 -18.396 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.440 -11.083 -15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.117 -12.239 -16.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.980 -11.165 -15.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.656 -10.258 -17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.218 -9.654 -15.646 1.00 0.00 H new ATOM 1180 N ASP A 75 7.754 -4.848 -19.429 1.00 0.00 N ATOM 1181 CA ASP A 75 7.586 -4.031 -20.625 1.00 0.00 C ATOM 1182 C ASP A 75 8.733 -4.258 -21.604 1.00 0.00 C ATOM 1183 O ASP A 75 9.852 -4.597 -21.219 1.00 0.00 O ATOM 1184 CB ASP A 75 7.505 -2.550 -20.249 1.00 0.00 C ATOM 1185 CG ASP A 75 8.650 -2.117 -19.355 1.00 0.00 C ATOM 1186 OD1 ASP A 75 9.754 -1.869 -19.884 1.00 0.00 O ATOM 1187 OD2 ASP A 75 8.443 -2.026 -18.126 1.00 0.00 O ATOM 0 H ASP A 75 7.453 -4.397 -18.565 1.00 0.00 H new ATOM 0 HA ASP A 75 6.655 -4.327 -21.109 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.508 -1.947 -21.157 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.559 -2.358 -19.742 1.00 0.00 H new ATOM 1192 N PRO A 76 8.451 -4.068 -22.902 1.00 0.00 N ATOM 1193 CA PRO A 76 9.445 -4.248 -23.963 1.00 0.00 C ATOM 1194 C PRO A 76 10.521 -3.167 -23.938 1.00 0.00 C ATOM 1195 O PRO A 76 11.496 -3.230 -24.686 1.00 0.00 O ATOM 1196 CB PRO A 76 8.617 -4.148 -25.247 1.00 0.00 C ATOM 1197 CG PRO A 76 7.430 -3.330 -24.869 1.00 0.00 C ATOM 1198 CD PRO A 76 7.137 -3.663 -23.432 1.00 0.00 C ATOM 0 HA PRO A 76 9.985 -5.190 -23.860 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.185 -3.675 -26.048 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.321 -5.134 -25.605 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.635 -2.266 -24.989 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.577 -3.564 -25.505 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.734 -2.805 -22.895 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.404 -4.465 -23.347 1.00 0.00 H new ATOM 1206 N GLY A 77 10.336 -2.174 -23.073 1.00 0.00 N ATOM 1207 CA GLY A 77 11.300 -1.094 -22.967 1.00 0.00 C ATOM 1208 C GLY A 77 11.503 -0.368 -24.282 1.00 0.00 C ATOM 1209 O GLY A 77 12.438 -0.650 -25.033 1.00 0.00 O ATOM 0 H GLY A 77 9.536 -2.098 -22.444 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.964 -0.384 -22.211 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.254 -1.495 -22.626 1.00 0.00 H new ATOM 1213 N PRO A 78 10.613 0.590 -24.578 1.00 0.00 N ATOM 1214 CA PRO A 78 10.678 1.377 -25.813 1.00 0.00 C ATOM 1215 C PRO A 78 11.863 2.337 -25.827 1.00 0.00 C ATOM 1216 O PRO A 78 12.196 2.913 -26.863 1.00 0.00 O ATOM 1217 CB PRO A 78 9.360 2.154 -25.809 1.00 0.00 C ATOM 1218 CG PRO A 78 8.980 2.246 -24.372 1.00 0.00 C ATOM 1219 CD PRO A 78 9.474 0.980 -23.730 1.00 0.00 C ATOM 0 HA PRO A 78 10.813 0.746 -26.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.482 3.143 -26.250 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.595 1.638 -26.389 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.430 3.122 -23.905 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.900 2.345 -24.260 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.780 1.146 -22.697 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.703 0.210 -23.714 1.00 0.00 H new ATOM 1227 N SER A 79 12.496 2.504 -24.670 1.00 0.00 N ATOM 1228 CA SER A 79 13.642 3.398 -24.550 1.00 0.00 C ATOM 1229 C SER A 79 14.950 2.632 -24.726 1.00 0.00 C ATOM 1230 O SER A 79 14.958 1.402 -24.779 1.00 0.00 O ATOM 1231 CB SER A 79 13.628 4.098 -23.189 1.00 0.00 C ATOM 1232 OG SER A 79 14.614 5.114 -23.128 1.00 0.00 O ATOM 0 H SER A 79 12.235 2.033 -23.804 1.00 0.00 H new ATOM 0 HA SER A 79 13.571 4.147 -25.338 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.644 4.531 -23.009 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.804 3.368 -22.399 1.00 0.00 H new ATOM 0 HG SER A 79 14.584 5.547 -22.249 1.00 0.00 H new ATOM 1238 N GLU A 80 16.053 3.367 -24.818 1.00 0.00 N ATOM 1239 CA GLU A 80 17.366 2.758 -24.990 1.00 0.00 C ATOM 1240 C GLU A 80 18.106 2.676 -23.658 1.00 0.00 C ATOM 1241 O GLU A 80 17.875 3.479 -22.755 1.00 0.00 O ATOM 1242 CB GLU A 80 18.196 3.556 -25.999 1.00 0.00 C ATOM 1243 CG GLU A 80 19.233 2.720 -26.729 1.00 0.00 C ATOM 1244 CD GLU A 80 18.668 2.033 -27.958 1.00 0.00 C ATOM 1245 OE1 GLU A 80 17.455 1.734 -27.967 1.00 0.00 O ATOM 1246 OE2 GLU A 80 19.439 1.796 -28.911 1.00 0.00 O ATOM 0 H GLU A 80 16.063 4.386 -24.776 1.00 0.00 H new ATOM 0 HA GLU A 80 17.222 1.746 -25.369 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.527 4.009 -26.730 1.00 0.00 H new ATOM 0 HB3 GLU A 80 18.699 4.371 -25.479 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.066 3.358 -27.024 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.633 1.968 -26.049 1.00 0.00 H new ATOM 1253 N LYS A 81 18.998 1.697 -23.543 1.00 0.00 N ATOM 1254 CA LYS A 81 19.774 1.508 -22.324 1.00 0.00 C ATOM 1255 C LYS A 81 21.218 1.956 -22.522 1.00 0.00 C ATOM 1256 O LYS A 81 21.644 2.227 -23.645 1.00 0.00 O ATOM 1257 CB LYS A 81 19.738 0.040 -21.894 1.00 0.00 C ATOM 1258 CG LYS A 81 20.514 -0.883 -22.819 1.00 0.00 C ATOM 1259 CD LYS A 81 19.950 -2.294 -22.801 1.00 0.00 C ATOM 1260 CE LYS A 81 18.752 -2.428 -23.730 1.00 0.00 C ATOM 1261 NZ LYS A 81 17.986 -3.678 -23.470 1.00 0.00 N ATOM 0 H LYS A 81 19.201 1.022 -24.280 1.00 0.00 H new ATOM 0 HA LYS A 81 19.327 2.120 -21.541 1.00 0.00 H new ATOM 0 HB2 LYS A 81 20.143 -0.045 -20.886 1.00 0.00 H new ATOM 0 HB3 LYS A 81 18.701 -0.292 -21.850 1.00 0.00 H new ATOM 0 HG2 LYS A 81 20.483 -0.491 -23.836 1.00 0.00 H new ATOM 0 HG3 LYS A 81 21.561 -0.905 -22.518 1.00 0.00 H new ATOM 0 HD2 LYS A 81 20.724 -3.000 -23.100 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.655 -2.556 -21.785 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.096 -1.567 -23.603 1.00 0.00 H new ATOM 0 HE3 LYS A 81 19.093 -2.419 -24.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.178 -3.732 -24.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.605 -4.501 -23.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.639 -3.675 -22.490 1.00 0.00 H new ATOM 1275 N GLN A 82 21.968 2.028 -21.427 1.00 0.00 N ATOM 1276 CA GLN A 82 23.364 2.442 -21.483 1.00 0.00 C ATOM 1277 C GLN A 82 24.104 2.035 -20.212 1.00 0.00 C ATOM 1278 O GLN A 82 23.736 2.441 -19.110 1.00 0.00 O ATOM 1279 CB GLN A 82 23.462 3.956 -21.682 1.00 0.00 C ATOM 1280 CG GLN A 82 24.878 4.495 -21.557 1.00 0.00 C ATOM 1281 CD GLN A 82 25.857 3.782 -22.469 1.00 0.00 C ATOM 1282 OE1 GLN A 82 25.583 3.572 -23.651 1.00 0.00 O ATOM 1283 NE2 GLN A 82 27.008 3.406 -21.923 1.00 0.00 N ATOM 0 H GLN A 82 21.632 1.805 -20.490 1.00 0.00 H new ATOM 0 HA GLN A 82 23.832 1.941 -22.330 1.00 0.00 H new ATOM 0 HB2 GLN A 82 23.071 4.211 -22.667 1.00 0.00 H new ATOM 0 HB3 GLN A 82 22.827 4.453 -20.948 1.00 0.00 H new ATOM 0 HG2 GLN A 82 24.879 5.560 -21.791 1.00 0.00 H new ATOM 0 HG3 GLN A 82 25.211 4.395 -20.524 1.00 0.00 H new ATOM 0 HE21 GLN A 82 27.193 3.601 -20.939 1.00 0.00 H new ATOM 0 HE22 GLN A 82 27.707 2.923 -22.488 1.00 0.00 H new ATOM 1292 N LYS A 83 25.150 1.232 -20.374 1.00 0.00 N ATOM 1293 CA LYS A 83 25.943 0.770 -19.241 1.00 0.00 C ATOM 1294 C LYS A 83 27.292 1.480 -19.197 1.00 0.00 C ATOM 1295 O LYS A 83 28.282 1.020 -19.768 1.00 0.00 O ATOM 1296 CB LYS A 83 26.153 -0.743 -19.322 1.00 0.00 C ATOM 1297 CG LYS A 83 27.167 -1.271 -18.322 1.00 0.00 C ATOM 1298 CD LYS A 83 26.639 -1.196 -16.900 1.00 0.00 C ATOM 1299 CE LYS A 83 27.564 -1.908 -15.925 1.00 0.00 C ATOM 1300 NZ LYS A 83 27.256 -3.362 -15.829 1.00 0.00 N ATOM 0 H LYS A 83 25.468 0.887 -21.280 1.00 0.00 H new ATOM 0 HA LYS A 83 25.398 1.006 -18.327 1.00 0.00 H new ATOM 0 HB2 LYS A 83 25.199 -1.243 -19.157 1.00 0.00 H new ATOM 0 HB3 LYS A 83 26.479 -1.003 -20.329 1.00 0.00 H new ATOM 0 HG2 LYS A 83 27.415 -2.304 -18.565 1.00 0.00 H new ATOM 0 HG3 LYS A 83 28.089 -0.695 -18.399 1.00 0.00 H new ATOM 0 HD2 LYS A 83 26.531 -0.152 -16.605 1.00 0.00 H new ATOM 0 HD3 LYS A 83 25.646 -1.644 -16.855 1.00 0.00 H new ATOM 0 HE2 LYS A 83 28.598 -1.776 -16.243 1.00 0.00 H new ATOM 0 HE3 LYS A 83 27.473 -1.452 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 27.908 -3.811 -15.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 26.277 -3.489 -15.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 27.367 -3.803 -16.764 1.00 0.00 H new ATOM 1314 N PRO A 84 27.337 2.627 -18.503 1.00 0.00 N ATOM 1315 CA PRO A 84 28.561 3.422 -18.366 1.00 0.00 C ATOM 1316 C PRO A 84 29.603 2.736 -17.489 1.00 0.00 C ATOM 1317 O PRO A 84 29.311 1.747 -16.817 1.00 0.00 O ATOM 1318 CB PRO A 84 28.072 4.713 -17.704 1.00 0.00 C ATOM 1319 CG PRO A 84 26.834 4.321 -16.975 1.00 0.00 C ATOM 1320 CD PRO A 84 26.197 3.234 -17.796 1.00 0.00 C ATOM 0 HA PRO A 84 29.055 3.578 -19.325 1.00 0.00 H new ATOM 0 HB2 PRO A 84 28.821 5.117 -17.023 1.00 0.00 H new ATOM 0 HB3 PRO A 84 27.867 5.485 -18.446 1.00 0.00 H new ATOM 0 HG2 PRO A 84 27.068 3.966 -15.971 1.00 0.00 H new ATOM 0 HG3 PRO A 84 26.161 5.171 -16.863 1.00 0.00 H new ATOM 0 HD2 PRO A 84 25.680 2.507 -17.169 1.00 0.00 H new ATOM 0 HD3 PRO A 84 25.460 3.636 -18.492 1.00 0.00 H new ATOM 1328 N VAL A 85 30.821 3.269 -17.499 1.00 0.00 N ATOM 1329 CA VAL A 85 31.907 2.708 -16.704 1.00 0.00 C ATOM 1330 C VAL A 85 32.775 3.810 -16.107 1.00 0.00 C ATOM 1331 O VAL A 85 33.035 4.827 -16.749 1.00 0.00 O ATOM 1332 CB VAL A 85 32.794 1.771 -17.546 1.00 0.00 C ATOM 1333 CG1 VAL A 85 33.940 1.226 -16.707 1.00 0.00 C ATOM 1334 CG2 VAL A 85 31.964 0.637 -18.130 1.00 0.00 C ATOM 0 H VAL A 85 31.080 4.088 -18.049 1.00 0.00 H new ATOM 0 HA VAL A 85 31.447 2.134 -15.899 1.00 0.00 H new ATOM 0 HB VAL A 85 33.219 2.343 -18.371 1.00 0.00 H new ATOM 0 HG11 VAL A 85 34.556 0.566 -17.318 1.00 0.00 H new ATOM 0 HG12 VAL A 85 34.548 2.053 -16.340 1.00 0.00 H new ATOM 0 HG13 VAL A 85 33.538 0.668 -15.861 1.00 0.00 H new ATOM 0 HG21 VAL A 85 32.605 -0.016 -18.722 1.00 0.00 H new ATOM 0 HG22 VAL A 85 31.511 0.064 -17.321 1.00 0.00 H new ATOM 0 HG23 VAL A 85 31.181 1.050 -18.766 1.00 0.00 H new ATOM 1344 N PHE A 86 33.224 3.599 -14.873 1.00 0.00 N ATOM 1345 CA PHE A 86 34.063 4.575 -14.189 1.00 0.00 C ATOM 1346 C PHE A 86 35.328 3.917 -13.646 1.00 0.00 C ATOM 1347 O PHE A 86 35.269 3.066 -12.758 1.00 0.00 O ATOM 1348 CB PHE A 86 33.287 5.234 -13.045 1.00 0.00 C ATOM 1349 CG PHE A 86 32.494 6.435 -13.474 1.00 0.00 C ATOM 1350 CD1 PHE A 86 33.082 7.689 -13.522 1.00 0.00 C ATOM 1351 CD2 PHE A 86 31.161 6.311 -13.830 1.00 0.00 C ATOM 1352 CE1 PHE A 86 32.354 8.796 -13.915 1.00 0.00 C ATOM 1353 CE2 PHE A 86 30.428 7.415 -14.225 1.00 0.00 C ATOM 1354 CZ PHE A 86 31.027 8.659 -14.269 1.00 0.00 C ATOM 0 H PHE A 86 33.021 2.761 -14.328 1.00 0.00 H new ATOM 0 HA PHE A 86 34.352 5.339 -14.911 1.00 0.00 H new ATOM 0 HB2 PHE A 86 32.611 4.501 -12.605 1.00 0.00 H new ATOM 0 HB3 PHE A 86 33.988 5.531 -12.265 1.00 0.00 H new ATOM 0 HD1 PHE A 86 34.121 7.802 -13.249 1.00 0.00 H new ATOM 0 HD2 PHE A 86 30.689 5.340 -13.799 1.00 0.00 H new ATOM 0 HE1 PHE A 86 32.823 9.768 -13.945 1.00 0.00 H new ATOM 0 HE2 PHE A 86 29.389 7.305 -14.499 1.00 0.00 H new ATOM 0 HZ PHE A 86 30.458 9.523 -14.580 1.00 0.00 H new ATOM 1364 N THR A 87 36.475 4.319 -14.186 1.00 0.00 N ATOM 1365 CA THR A 87 37.756 3.768 -13.759 1.00 0.00 C ATOM 1366 C THR A 87 37.886 2.304 -14.162 1.00 0.00 C ATOM 1367 O THR A 87 38.359 1.475 -13.384 1.00 0.00 O ATOM 1368 CB THR A 87 37.937 3.887 -12.235 1.00 0.00 C ATOM 1369 OG1 THR A 87 37.513 5.181 -11.790 1.00 0.00 O ATOM 1370 CG2 THR A 87 39.390 3.663 -11.844 1.00 0.00 C ATOM 0 H THR A 87 36.543 5.024 -14.920 1.00 0.00 H new ATOM 0 HA THR A 87 38.532 4.349 -14.257 1.00 0.00 H new ATOM 0 HB THR A 87 37.326 3.121 -11.758 1.00 0.00 H new ATOM 0 HG1 THR A 87 37.630 5.248 -10.819 1.00 0.00 H new ATOM 0 HG21 THR A 87 39.494 3.752 -10.763 1.00 0.00 H new ATOM 0 HG22 THR A 87 39.702 2.667 -12.158 1.00 0.00 H new ATOM 0 HG23 THR A 87 40.017 4.410 -12.331 1.00 0.00 H new ATOM 1378 N SER A 88 37.466 1.991 -15.384 1.00 0.00 N ATOM 1379 CA SER A 88 37.533 0.625 -15.889 1.00 0.00 C ATOM 1380 C SER A 88 38.819 -0.059 -15.435 1.00 0.00 C ATOM 1381 O SER A 88 39.886 0.553 -15.413 1.00 0.00 O ATOM 1382 CB SER A 88 37.450 0.619 -17.417 1.00 0.00 C ATOM 1383 OG SER A 88 38.457 1.439 -17.985 1.00 0.00 O ATOM 0 H SER A 88 37.076 2.665 -16.042 1.00 0.00 H new ATOM 0 HA SER A 88 36.685 0.072 -15.484 1.00 0.00 H new ATOM 0 HB2 SER A 88 37.556 -0.401 -17.786 1.00 0.00 H new ATOM 0 HB3 SER A 88 36.468 0.972 -17.733 1.00 0.00 H new ATOM 0 HG SER A 88 38.384 1.417 -18.962 1.00 0.00 H new ATOM 1389 N GLY A 89 38.709 -1.334 -15.074 1.00 0.00 N ATOM 1390 CA GLY A 89 39.870 -2.082 -14.626 1.00 0.00 C ATOM 1391 C GLY A 89 40.961 -2.141 -15.676 1.00 0.00 C ATOM 1392 O GLY A 89 40.698 -2.137 -16.878 1.00 0.00 O ATOM 0 H GLY A 89 37.837 -1.862 -15.084 1.00 0.00 H new ATOM 0 HA2 GLY A 89 40.266 -1.624 -13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 89 39.567 -3.096 -14.364 1.00 0.00 H new ATOM 1396 N PRO A 90 42.222 -2.194 -15.220 1.00 0.00 N ATOM 1397 CA PRO A 90 43.384 -2.254 -16.112 1.00 0.00 C ATOM 1398 C PRO A 90 43.487 -3.589 -16.842 1.00 0.00 C ATOM 1399 O PRO A 90 43.713 -3.630 -18.052 1.00 0.00 O ATOM 1400 CB PRO A 90 44.571 -2.072 -15.162 1.00 0.00 C ATOM 1401 CG PRO A 90 44.074 -2.547 -13.840 1.00 0.00 C ATOM 1402 CD PRO A 90 42.611 -2.202 -13.800 1.00 0.00 C ATOM 0 HA PRO A 90 43.331 -1.503 -16.900 1.00 0.00 H new ATOM 0 HB2 PRO A 90 45.434 -2.650 -15.492 1.00 0.00 H new ATOM 0 HB3 PRO A 90 44.885 -1.029 -15.116 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.225 -3.621 -13.729 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.612 -2.064 -13.024 1.00 0.00 H new ATOM 0 HD2 PRO A 90 42.041 -2.937 -13.232 1.00 0.00 H new ATOM 0 HD3 PRO A 90 42.440 -1.233 -13.331 1.00 0.00 H new ATOM 1410 N SER A 91 43.319 -4.679 -16.100 1.00 0.00 N ATOM 1411 CA SER A 91 43.396 -6.016 -16.677 1.00 0.00 C ATOM 1412 C SER A 91 42.816 -6.033 -18.087 1.00 0.00 C ATOM 1413 O SER A 91 43.446 -6.526 -19.023 1.00 0.00 O ATOM 1414 CB SER A 91 42.652 -7.019 -15.794 1.00 0.00 C ATOM 1415 OG SER A 91 43.041 -8.348 -16.090 1.00 0.00 O ATOM 0 H SER A 91 43.129 -4.662 -15.098 1.00 0.00 H new ATOM 0 HA SER A 91 44.447 -6.301 -16.732 1.00 0.00 H new ATOM 0 HB2 SER A 91 42.853 -6.803 -14.745 1.00 0.00 H new ATOM 0 HB3 SER A 91 41.577 -6.910 -15.941 1.00 0.00 H new ATOM 0 HG SER A 91 42.552 -8.969 -15.510 1.00 0.00 H new ATOM 1421 N SER A 92 41.610 -5.493 -18.231 1.00 0.00 N ATOM 1422 CA SER A 92 40.941 -5.448 -19.526 1.00 0.00 C ATOM 1423 C SER A 92 40.594 -6.855 -20.006 1.00 0.00 C ATOM 1424 O SER A 92 40.817 -7.200 -21.165 1.00 0.00 O ATOM 1425 CB SER A 92 41.829 -4.750 -20.558 1.00 0.00 C ATOM 1426 OG SER A 92 41.098 -4.442 -21.733 1.00 0.00 O ATOM 0 H SER A 92 41.076 -5.080 -17.466 1.00 0.00 H new ATOM 0 HA SER A 92 40.016 -4.883 -19.411 1.00 0.00 H new ATOM 0 HB2 SER A 92 42.239 -3.835 -20.130 1.00 0.00 H new ATOM 0 HB3 SER A 92 42.674 -5.391 -20.809 1.00 0.00 H new ATOM 0 HG SER A 92 40.669 -5.254 -22.074 1.00 0.00 H new ATOM 1432 N GLY A 93 40.045 -7.662 -19.104 1.00 0.00 N ATOM 1433 CA GLY A 93 39.675 -9.021 -19.452 1.00 0.00 C ATOM 1434 C GLY A 93 38.242 -9.345 -19.082 1.00 0.00 C ATOM 1435 O GLY A 93 37.985 -10.284 -18.329 1.00 0.00 O ATOM 0 H GLY A 93 39.850 -7.399 -18.138 1.00 0.00 H new ATOM 0 HA2 GLY A 93 39.813 -9.169 -20.523 1.00 0.00 H new ATOM 0 HA3 GLY A 93 40.344 -9.717 -18.946 1.00 0.00 H new TER 1439 GLY A 93