USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 685 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 81 GLN : amide:sc= 0.552 K(o=0.6,f=-3.3) USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.0457 K(o=0.6,f=-8.4!) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.429 K(o=1.7,f=0.2) USER MOD Set 2.2: A 68 GLN : amide:sc= 1.28 K(o=1.7,f=-0.41) USER MOD Set 3.1: A 51 GLN : amide:sc= 0.303 K(o=0.73,f=-0.12) USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= 0.432 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 5 MET CE :methyl -163:sc= -0.0485 (180deg=-0.413) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= -0.0148 (180deg=-0.15) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 1.35 (180deg=1.35) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= -0.0033 (180deg=-0.127) USER MOD Single : A 35 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-0.071) USER MOD Single : A 39 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.67) USER MOD Single : A 41 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.5!) USER MOD Single : A 42 CYS SG : rot 140:sc= -0.431 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 47 HIS : no HE2:sc= 0.928 K(o=2.1,f=-6.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -156:sc= 1.65 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.764 K(o=0.76,f=-0.75) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.12) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.647 USER MOD Single : A 70 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.4) USER MOD Single : A 74 ASN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 77 MET CE :methyl 149:sc= -0.189 (180deg=-0.587) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -178:sc= -0.163 (180deg=-0.17) USER MOD Single : A 82 SER OG : rot -34:sc= 0.649 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.187 11.206 -18.318 1.00 0.00 N ATOM 2 CA SER A 1 3.967 9.965 -18.165 1.00 0.00 C ATOM 3 C SER A 1 3.333 9.045 -17.129 1.00 0.00 C ATOM 4 O SER A 1 2.857 7.962 -17.471 1.00 0.00 O ATOM 5 CB SER A 1 5.423 10.270 -17.808 1.00 0.00 C ATOM 6 OG SER A 1 6.134 9.063 -17.620 1.00 0.00 O ATOM 0 H1 SER A 1 3.640 11.815 -19.029 1.00 0.00 H new ATOM 0 H2 SER A 1 2.221 10.973 -18.626 1.00 0.00 H new ATOM 0 H3 SER A 1 3.149 11.707 -17.407 1.00 0.00 H new ATOM 0 HA SER A 1 3.959 9.447 -19.124 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.886 10.856 -18.602 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.466 10.873 -16.901 1.00 0.00 H new ATOM 0 HG SER A 1 7.066 9.264 -17.393 1.00 0.00 H new ATOM 12 N GLY A 2 3.314 9.462 -15.857 1.00 0.00 N ATOM 13 CA GLY A 2 2.727 8.682 -14.779 1.00 0.00 C ATOM 14 C GLY A 2 2.952 9.353 -13.427 1.00 0.00 C ATOM 15 O GLY A 2 3.562 10.421 -13.354 1.00 0.00 O ATOM 0 H GLY A 2 3.708 10.353 -15.554 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.658 8.561 -14.954 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.164 7.683 -14.770 1.00 0.00 H new ATOM 19 N SER A 3 2.461 8.724 -12.355 1.00 0.00 N ATOM 20 CA SER A 3 2.637 9.241 -11.008 1.00 0.00 C ATOM 21 C SER A 3 4.106 9.208 -10.592 1.00 0.00 C ATOM 22 O SER A 3 4.866 8.351 -11.045 1.00 0.00 O ATOM 23 CB SER A 3 1.775 8.429 -10.032 1.00 0.00 C ATOM 24 OG SER A 3 2.045 8.837 -8.707 1.00 0.00 O ATOM 0 H SER A 3 1.936 7.851 -12.402 1.00 0.00 H new ATOM 0 HA SER A 3 2.316 10.283 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.719 8.572 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.984 7.365 -10.145 1.00 0.00 H new ATOM 0 HG SER A 3 1.492 8.318 -8.086 1.00 0.00 H new ATOM 30 N HIS A 4 4.513 10.142 -9.723 1.00 0.00 N ATOM 31 CA HIS A 4 5.890 10.253 -9.261 1.00 0.00 C ATOM 32 C HIS A 4 6.314 9.032 -8.438 1.00 0.00 C ATOM 33 O HIS A 4 7.481 8.919 -8.061 1.00 0.00 O ATOM 34 CB HIS A 4 6.044 11.532 -8.441 1.00 0.00 C ATOM 35 CG HIS A 4 5.512 12.751 -9.150 1.00 0.00 C ATOM 36 ND1 HIS A 4 5.858 13.178 -10.419 1.00 0.00 N ATOM 37 CD2 HIS A 4 4.623 13.654 -8.635 1.00 0.00 C ATOM 38 CE1 HIS A 4 5.190 14.322 -10.670 1.00 0.00 C ATOM 39 NE2 HIS A 4 4.433 14.627 -9.599 1.00 0.00 N ATOM 0 H HIS A 4 3.888 10.842 -9.323 1.00 0.00 H new ATOM 0 HA HIS A 4 6.544 10.294 -10.132 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.522 11.414 -7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.098 11.684 -8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 4 4.158 13.615 -7.661 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.252 14.899 -11.581 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.822 15.439 -9.513 1.00 0.00 H new ATOM 48 N MET A 5 5.377 8.118 -8.158 1.00 0.00 N ATOM 49 CA MET A 5 5.662 6.882 -7.451 1.00 0.00 C ATOM 50 C MET A 5 6.338 5.864 -8.372 1.00 0.00 C ATOM 51 O MET A 5 6.924 4.899 -7.892 1.00 0.00 O ATOM 52 CB MET A 5 4.344 6.336 -6.891 1.00 0.00 C ATOM 53 CG MET A 5 4.536 5.016 -6.143 1.00 0.00 C ATOM 54 SD MET A 5 3.024 4.377 -5.368 1.00 0.00 S ATOM 55 CE MET A 5 2.743 5.660 -4.118 1.00 0.00 C ATOM 0 H MET A 5 4.397 8.224 -8.421 1.00 0.00 H new ATOM 0 HA MET A 5 6.357 7.075 -6.633 1.00 0.00 H new ATOM 0 HB2 MET A 5 3.905 7.072 -6.218 1.00 0.00 H new ATOM 0 HB3 MET A 5 3.637 6.189 -7.708 1.00 0.00 H new ATOM 0 HG2 MET A 5 4.919 4.269 -6.838 1.00 0.00 H new ATOM 0 HG3 MET A 5 5.296 5.154 -5.374 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.049 5.288 -3.365 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.689 5.919 -3.643 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.322 6.546 -4.594 1.00 0.00 H new ATOM 65 N LYS A 6 6.263 6.073 -9.694 1.00 0.00 N ATOM 66 CA LYS A 6 6.799 5.135 -10.676 1.00 0.00 C ATOM 67 C LYS A 6 7.585 5.834 -11.782 1.00 0.00 C ATOM 68 O LYS A 6 7.914 5.206 -12.791 1.00 0.00 O ATOM 69 CB LYS A 6 5.668 4.276 -11.250 1.00 0.00 C ATOM 70 CG LYS A 6 4.949 3.472 -10.162 1.00 0.00 C ATOM 71 CD LYS A 6 3.886 2.574 -10.799 1.00 0.00 C ATOM 72 CE LYS A 6 3.197 1.711 -9.741 1.00 0.00 C ATOM 73 NZ LYS A 6 2.487 2.528 -8.738 1.00 0.00 N ATOM 0 H LYS A 6 5.828 6.898 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 6 7.509 4.486 -10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.950 4.917 -11.761 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.074 3.593 -11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.667 2.866 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.485 4.148 -9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.146 3.188 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.347 1.935 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.490 1.038 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.939 1.088 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.898 1.912 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.179 3.026 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.883 3.223 -9.221 1.00 0.00 H new ATOM 87 N THR A 7 7.888 7.120 -11.606 1.00 0.00 N ATOM 88 CA THR A 7 8.640 7.916 -12.574 1.00 0.00 C ATOM 89 C THR A 7 9.658 8.865 -11.950 1.00 0.00 C ATOM 90 O THR A 7 9.550 9.223 -10.780 1.00 0.00 O ATOM 91 CB THR A 7 7.732 8.640 -13.574 1.00 0.00 C ATOM 92 OG1 THR A 7 7.325 9.867 -13.011 1.00 0.00 O ATOM 93 CG2 THR A 7 6.490 7.849 -13.986 1.00 0.00 C ATOM 0 H THR A 7 7.614 7.645 -10.775 1.00 0.00 H new ATOM 0 HA THR A 7 9.225 7.184 -13.131 1.00 0.00 H new ATOM 0 HB THR A 7 8.321 8.779 -14.481 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.744 10.340 -13.643 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.904 8.435 -14.695 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.794 6.912 -14.453 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.885 7.636 -13.104 1.00 0.00 H new ATOM 101 N CYS A 8 10.654 9.273 -12.745 1.00 0.00 N ATOM 102 CA CYS A 8 11.681 10.211 -12.308 1.00 0.00 C ATOM 103 C CYS A 8 11.186 11.658 -12.319 1.00 0.00 C ATOM 104 O CYS A 8 11.948 12.569 -12.004 1.00 0.00 O ATOM 105 CB CYS A 8 12.914 10.055 -13.200 1.00 0.00 C ATOM 106 SG CYS A 8 13.599 8.394 -12.973 1.00 0.00 S ATOM 0 H CYS A 8 10.766 8.959 -13.709 1.00 0.00 H new ATOM 0 HA CYS A 8 11.939 9.978 -11.275 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.645 10.212 -14.245 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.660 10.808 -12.946 1.00 0.00 H new ATOM 0 HG CYS A 8 14.647 8.250 -13.729 1.00 0.00 H new ATOM 112 N VAL A 9 9.920 11.879 -12.686 1.00 0.00 N ATOM 113 CA VAL A 9 9.330 13.210 -12.730 1.00 0.00 C ATOM 114 C VAL A 9 9.153 13.781 -11.325 1.00 0.00 C ATOM 115 O VAL A 9 8.909 13.034 -10.377 1.00 0.00 O ATOM 116 CB VAL A 9 8.013 13.193 -13.513 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.514 14.610 -13.778 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.178 12.468 -14.848 1.00 0.00 C ATOM 0 H VAL A 9 9.279 11.135 -12.961 1.00 0.00 H new ATOM 0 HA VAL A 9 10.016 13.872 -13.258 1.00 0.00 H new ATOM 0 HB VAL A 9 7.283 12.662 -12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.578 14.568 -14.335 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.349 15.121 -12.829 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.258 15.155 -14.359 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.228 12.471 -15.383 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.934 12.976 -15.447 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.490 11.439 -14.667 1.00 0.00 H new ATOM 128 N VAL A 10 9.271 15.106 -11.193 1.00 0.00 N ATOM 129 CA VAL A 10 9.186 15.788 -9.907 1.00 0.00 C ATOM 130 C VAL A 10 8.387 17.083 -10.019 1.00 0.00 C ATOM 131 O VAL A 10 8.236 17.636 -11.105 1.00 0.00 O ATOM 132 CB VAL A 10 10.589 16.074 -9.357 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.419 14.796 -9.237 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.336 17.069 -10.254 1.00 0.00 C ATOM 0 H VAL A 10 9.429 15.734 -11.981 1.00 0.00 H new ATOM 0 HA VAL A 10 8.664 15.129 -9.214 1.00 0.00 H new ATOM 0 HB VAL A 10 10.457 16.503 -8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.406 15.039 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.921 14.101 -8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.523 14.336 -10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.328 17.256 -9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.431 16.654 -11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.780 18.006 -10.300 1.00 0.00 H new ATOM 144 N GLU A 11 7.875 17.562 -8.884 1.00 0.00 N ATOM 145 CA GLU A 11 7.151 18.819 -8.811 1.00 0.00 C ATOM 146 C GLU A 11 8.125 19.992 -8.763 1.00 0.00 C ATOM 147 O GLU A 11 9.275 19.832 -8.356 1.00 0.00 O ATOM 148 CB GLU A 11 6.265 18.836 -7.561 1.00 0.00 C ATOM 149 CG GLU A 11 5.183 17.755 -7.616 1.00 0.00 C ATOM 150 CD GLU A 11 4.161 17.983 -8.727 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.364 17.047 -8.964 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.174 19.078 -9.331 1.00 0.00 O ATOM 0 H GLU A 11 7.955 17.081 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 11 6.528 18.914 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.883 18.687 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.796 19.815 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.656 16.784 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.666 17.719 -6.657 1.00 0.00 H new ATOM 159 N LYS A 12 7.653 21.168 -9.182 1.00 0.00 N ATOM 160 CA LYS A 12 8.447 22.389 -9.151 1.00 0.00 C ATOM 161 C LYS A 12 7.593 23.613 -8.856 1.00 0.00 C ATOM 162 O LYS A 12 6.418 23.668 -9.226 1.00 0.00 O ATOM 163 CB LYS A 12 9.208 22.600 -10.470 1.00 0.00 C ATOM 164 CG LYS A 12 10.274 21.527 -10.695 1.00 0.00 C ATOM 165 CD LYS A 12 11.195 21.904 -11.858 1.00 0.00 C ATOM 166 CE LYS A 12 12.069 23.099 -11.479 1.00 0.00 C ATOM 167 NZ LYS A 12 12.972 23.476 -12.582 1.00 0.00 N ATOM 0 H LYS A 12 6.711 21.296 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 12 9.168 22.267 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.503 22.590 -11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.679 23.583 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.863 21.398 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.794 20.570 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.824 21.054 -12.122 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.599 22.145 -12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.436 23.947 -11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.656 22.856 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.552 24.290 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.592 22.674 -12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.410 23.731 -13.419 1.00 0.00 H new ATOM 181 N ILE A 13 8.204 24.590 -8.188 1.00 0.00 N ATOM 182 CA ILE A 13 7.598 25.875 -7.865 1.00 0.00 C ATOM 183 C ILE A 13 8.676 26.944 -7.980 1.00 0.00 C ATOM 184 O ILE A 13 9.858 26.654 -7.788 1.00 0.00 O ATOM 185 CB ILE A 13 6.990 25.839 -6.451 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.855 24.812 -6.374 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.484 27.224 -6.036 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.280 24.696 -4.962 1.00 0.00 C ATOM 0 H ILE A 13 9.162 24.504 -7.848 1.00 0.00 H new ATOM 0 HA ILE A 13 6.786 26.101 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 13 7.775 25.540 -5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.062 25.096 -7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.225 23.838 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.059 27.171 -5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.313 27.931 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.719 27.557 -6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.479 23.957 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.066 24.386 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.885 25.663 -4.650 1.00 0.00 H new ATOM 200 N LYS A 14 8.274 28.180 -8.291 1.00 0.00 N ATOM 201 CA LYS A 14 9.195 29.299 -8.417 1.00 0.00 C ATOM 202 C LYS A 14 8.580 30.557 -7.810 1.00 0.00 C ATOM 203 O LYS A 14 7.393 30.818 -8.007 1.00 0.00 O ATOM 204 CB LYS A 14 9.557 29.494 -9.893 1.00 0.00 C ATOM 205 CG LYS A 14 10.459 30.711 -10.100 1.00 0.00 C ATOM 206 CD LYS A 14 10.796 30.851 -11.585 1.00 0.00 C ATOM 207 CE LYS A 14 11.714 32.055 -11.794 1.00 0.00 C ATOM 208 NZ LYS A 14 12.056 32.225 -13.217 1.00 0.00 N ATOM 0 H LYS A 14 7.299 28.427 -8.461 1.00 0.00 H new ATOM 0 HA LYS A 14 10.113 29.090 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.060 28.601 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.645 29.613 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.959 31.612 -9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.374 30.602 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.282 29.944 -11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.882 30.974 -12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.225 32.957 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.626 31.926 -11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.680 33.050 -13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.544 31.373 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.186 32.372 -13.768 1.00 0.00 H new ATOM 222 N GLN A 15 9.382 31.335 -7.081 1.00 0.00 N ATOM 223 CA GLN A 15 8.927 32.578 -6.477 1.00 0.00 C ATOM 224 C GLN A 15 10.098 33.531 -6.242 1.00 0.00 C ATOM 225 O GLN A 15 11.230 33.096 -6.042 1.00 0.00 O ATOM 226 CB GLN A 15 8.178 32.267 -5.174 1.00 0.00 C ATOM 227 CG GLN A 15 7.715 33.538 -4.450 1.00 0.00 C ATOM 228 CD GLN A 15 6.882 34.436 -5.360 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.045 33.958 -6.119 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.107 35.745 -5.288 1.00 0.00 N ATOM 0 H GLN A 15 10.361 31.118 -6.896 1.00 0.00 H new ATOM 0 HA GLN A 15 8.241 33.081 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.313 31.642 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.826 31.691 -4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.128 33.264 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.584 34.090 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.811 36.107 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.575 36.387 -5.876 1.00 0.00 H new ATOM 239 N TRP A 16 9.819 34.838 -6.272 1.00 0.00 N ATOM 240 CA TRP A 16 10.803 35.884 -6.054 1.00 0.00 C ATOM 241 C TRP A 16 10.802 36.349 -4.601 1.00 0.00 C ATOM 242 O TRP A 16 9.762 36.330 -3.941 1.00 0.00 O ATOM 243 CB TRP A 16 10.471 37.065 -6.966 1.00 0.00 C ATOM 244 CG TRP A 16 10.429 36.741 -8.427 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.391 36.174 -9.079 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.484 36.898 -9.422 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.725 35.975 -10.402 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.004 36.413 -10.671 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.789 37.422 -9.401 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.781 36.432 -11.835 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.576 37.459 -10.564 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.076 36.964 -11.778 1.00 0.00 C ATOM 0 H TRP A 16 8.882 35.198 -6.453 1.00 0.00 H new ATOM 0 HA TRP A 16 11.793 35.489 -6.282 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.504 37.472 -6.671 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.210 37.850 -6.804 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.443 35.915 -8.632 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.104 35.556 -11.094 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.193 37.803 -8.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.388 36.043 -12.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.573 37.872 -10.523 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.688 36.993 -12.667 1.00 0.00 H new ATOM 263 N ILE A 17 11.969 36.770 -4.108 1.00 0.00 N ATOM 264 CA ILE A 17 12.118 37.395 -2.802 1.00 0.00 C ATOM 265 C ILE A 17 13.096 38.556 -2.968 1.00 0.00 C ATOM 266 O ILE A 17 14.086 38.433 -3.693 1.00 0.00 O ATOM 267 CB ILE A 17 12.599 36.381 -1.746 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.106 36.108 -1.875 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.784 35.086 -1.800 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.578 35.054 -0.872 1.00 0.00 C ATOM 0 H ILE A 17 12.848 36.682 -4.617 1.00 0.00 H new ATOM 0 HA ILE A 17 11.158 37.764 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 17 12.433 36.827 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.330 35.773 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.658 37.034 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.150 34.394 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.734 35.309 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.887 34.632 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.648 34.889 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.378 35.401 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.044 34.120 -1.047 1.00 0.00 H new ATOM 282 N PRO A 18 12.845 39.694 -2.310 1.00 0.00 N ATOM 283 CA PRO A 18 13.707 40.860 -2.391 1.00 0.00 C ATOM 284 C PRO A 18 15.078 40.545 -1.801 1.00 0.00 C ATOM 285 O PRO A 18 15.196 39.738 -0.882 1.00 0.00 O ATOM 286 CB PRO A 18 12.982 41.955 -1.606 1.00 0.00 C ATOM 287 CG PRO A 18 12.117 41.166 -0.617 1.00 0.00 C ATOM 288 CD PRO A 18 11.719 39.938 -1.429 1.00 0.00 C ATOM 0 HA PRO A 18 13.888 41.176 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.683 42.612 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.376 42.583 -2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.672 40.896 0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.247 41.738 -0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.530 39.081 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.805 40.118 -1.996 1.00 0.00 H new ATOM 296 N THR A 19 16.123 41.190 -2.331 1.00 0.00 N ATOM 297 CA THR A 19 17.485 40.958 -1.873 1.00 0.00 C ATOM 298 C THR A 19 17.738 41.293 -0.405 1.00 0.00 C ATOM 299 O THR A 19 18.771 40.934 0.156 1.00 0.00 O ATOM 300 CB THR A 19 18.535 41.543 -2.824 1.00 0.00 C ATOM 301 OG1 THR A 19 18.038 41.603 -4.146 1.00 0.00 O ATOM 302 CG2 THR A 19 19.808 40.698 -2.816 1.00 0.00 C ATOM 0 H THR A 19 16.044 41.878 -3.080 1.00 0.00 H new ATOM 0 HA THR A 19 17.606 39.875 -1.910 1.00 0.00 H new ATOM 0 HB THR A 19 18.765 42.550 -2.475 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.723 41.981 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.538 41.133 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.223 40.674 -1.808 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.573 39.683 -3.136 1.00 0.00 H new ATOM 310 N THR A 20 16.785 41.987 0.222 1.00 0.00 N ATOM 311 CA THR A 20 16.837 42.334 1.631 1.00 0.00 C ATOM 312 C THR A 20 16.561 41.189 2.598 1.00 0.00 C ATOM 313 O THR A 20 16.742 41.344 3.806 1.00 0.00 O ATOM 314 CB THR A 20 15.989 43.571 1.939 1.00 0.00 C ATOM 315 OG1 THR A 20 14.675 43.174 2.265 1.00 0.00 O ATOM 316 CG2 THR A 20 15.931 44.542 0.759 1.00 0.00 C ATOM 0 H THR A 20 15.946 42.325 -0.249 1.00 0.00 H new ATOM 0 HA THR A 20 17.883 42.581 1.814 1.00 0.00 H new ATOM 0 HB THR A 20 16.459 44.085 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.134 43.966 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.318 45.403 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.939 44.876 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.494 44.040 -0.104 1.00 0.00 H new ATOM 324 N GLU A 21 16.123 40.038 2.078 1.00 0.00 N ATOM 325 CA GLU A 21 15.866 38.868 2.905 1.00 0.00 C ATOM 326 C GLU A 21 16.423 37.588 2.287 1.00 0.00 C ATOM 327 O GLU A 21 16.119 36.495 2.761 1.00 0.00 O ATOM 328 CB GLU A 21 14.373 38.759 3.226 1.00 0.00 C ATOM 329 CG GLU A 21 13.526 38.392 2.005 1.00 0.00 C ATOM 330 CD GLU A 21 12.032 38.377 2.332 1.00 0.00 C ATOM 331 OE1 GLU A 21 11.249 38.042 1.415 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.673 38.695 3.488 1.00 0.00 O ATOM 0 H GLU A 21 15.940 39.897 1.084 1.00 0.00 H new ATOM 0 HA GLU A 21 16.401 38.999 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.227 38.007 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.024 39.708 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.715 39.106 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.827 37.412 1.636 1.00 0.00 H new ATOM 339 N VAL A 22 17.241 37.695 1.231 1.00 0.00 N ATOM 340 CA VAL A 22 17.928 36.526 0.692 1.00 0.00 C ATOM 341 C VAL A 22 18.895 36.008 1.760 1.00 0.00 C ATOM 342 O VAL A 22 19.248 34.830 1.762 1.00 0.00 O ATOM 343 CB VAL A 22 18.682 36.923 -0.587 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.634 35.824 -1.051 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.690 37.191 -1.716 1.00 0.00 C ATOM 0 H VAL A 22 17.438 38.569 0.743 1.00 0.00 H new ATOM 0 HA VAL A 22 17.218 35.740 0.436 1.00 0.00 H new ATOM 0 HB VAL A 22 19.258 37.818 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.147 36.146 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.368 35.625 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.068 34.915 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.233 37.472 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.106 36.291 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.021 38.002 -1.428 1.00 0.00 H new ATOM 355 N GLY A 23 19.325 36.884 2.678 1.00 0.00 N ATOM 356 CA GLY A 23 20.194 36.497 3.783 1.00 0.00 C ATOM 357 C GLY A 23 19.466 35.604 4.785 1.00 0.00 C ATOM 358 O GLY A 23 20.103 34.992 5.641 1.00 0.00 O ATOM 0 H GLY A 23 19.079 37.874 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.066 35.972 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.559 37.390 4.289 1.00 0.00 H new ATOM 362 N LYS A 24 18.133 35.517 4.689 1.00 0.00 N ATOM 363 CA LYS A 24 17.336 34.647 5.544 1.00 0.00 C ATOM 364 C LYS A 24 17.302 33.227 4.979 1.00 0.00 C ATOM 365 O LYS A 24 16.586 32.376 5.502 1.00 0.00 O ATOM 366 CB LYS A 24 15.919 35.209 5.691 1.00 0.00 C ATOM 367 CG LYS A 24 15.901 36.651 6.208 1.00 0.00 C ATOM 368 CD LYS A 24 16.536 36.758 7.594 1.00 0.00 C ATOM 369 CE LYS A 24 16.436 38.197 8.098 1.00 0.00 C ATOM 370 NZ LYS A 24 17.025 38.329 9.445 1.00 0.00 N ATOM 0 H LYS A 24 17.583 36.050 4.015 1.00 0.00 H new ATOM 0 HA LYS A 24 17.796 34.607 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.415 35.168 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.352 34.576 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.437 37.295 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.873 37.011 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.033 36.084 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.581 36.450 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.949 38.865 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.391 38.505 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.944 39.316 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.518 37.708 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.028 38.056 9.413 1.00 0.00 H new ATOM 384 N ILE A 25 18.069 32.971 3.912 1.00 0.00 N ATOM 385 CA ILE A 25 18.172 31.651 3.306 1.00 0.00 C ATOM 386 C ILE A 25 19.637 31.284 3.058 1.00 0.00 C ATOM 387 O ILE A 25 20.011 30.122 3.204 1.00 0.00 O ATOM 388 CB ILE A 25 17.391 31.624 1.983 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.947 32.114 2.170 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.424 30.215 1.386 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.194 32.122 0.840 1.00 0.00 C ATOM 0 H ILE A 25 18.635 33.681 3.448 1.00 0.00 H new ATOM 0 HA ILE A 25 17.745 30.918 3.991 1.00 0.00 H new ATOM 0 HB ILE A 25 17.873 32.310 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.430 31.469 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.952 33.118 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.868 30.204 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.457 29.923 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.970 29.513 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.175 32.473 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.700 32.786 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.170 31.112 0.430 1.00 0.00 H new ATOM 403 N LEU A 26 20.463 32.270 2.686 1.00 0.00 N ATOM 404 CA LEU A 26 21.860 32.059 2.322 1.00 0.00 C ATOM 405 C LEU A 26 22.828 32.766 3.276 1.00 0.00 C ATOM 406 O LEU A 26 24.017 32.856 2.981 1.00 0.00 O ATOM 407 CB LEU A 26 22.091 32.541 0.885 1.00 0.00 C ATOM 408 CG LEU A 26 21.079 31.993 -0.124 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.403 32.592 -1.489 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.172 30.469 -0.215 1.00 0.00 C ATOM 0 H LEU A 26 20.172 33.246 2.630 1.00 0.00 H new ATOM 0 HA LEU A 26 22.063 30.991 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.053 33.630 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.094 32.252 0.572 1.00 0.00 H new ATOM 0 HG LEU A 26 20.071 32.258 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.695 32.217 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.331 33.678 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.415 32.309 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.443 30.103 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.175 30.184 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.964 30.033 0.762 1.00 0.00 H new ATOM 422 N GLY A 27 22.331 33.277 4.409 1.00 0.00 N ATOM 423 CA GLY A 27 23.118 34.110 5.308 1.00 0.00 C ATOM 424 C GLY A 27 24.254 33.369 6.012 1.00 0.00 C ATOM 425 O GLY A 27 25.138 34.015 6.578 1.00 0.00 O ATOM 0 H GLY A 27 21.373 33.121 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.537 34.942 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.457 34.539 6.061 1.00 0.00 H new ATOM 429 N ASN A 28 24.252 32.032 5.992 1.00 0.00 N ATOM 430 CA ASN A 28 25.308 31.254 6.622 1.00 0.00 C ATOM 431 C ASN A 28 25.384 29.862 5.998 1.00 0.00 C ATOM 432 O ASN A 28 24.658 28.958 6.413 1.00 0.00 O ATOM 433 CB ASN A 28 25.024 31.156 8.123 1.00 0.00 C ATOM 434 CG ASN A 28 26.091 30.360 8.858 1.00 0.00 C ATOM 435 OD1 ASN A 28 27.209 30.197 8.373 1.00 0.00 O ATOM 436 ND2 ASN A 28 25.754 29.854 10.036 1.00 0.00 N ATOM 0 H ASN A 28 23.527 31.471 5.544 1.00 0.00 H new ATOM 0 HA ASN A 28 26.269 31.745 6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.965 32.159 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.052 30.687 8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 28 26.432 29.310 10.570 1.00 0.00 H new ATOM 0 HD22 ASN A 28 24.817 30.009 10.408 1.00 0.00 H new ATOM 443 N ARG A 29 26.264 29.693 5.005 1.00 0.00 N ATOM 444 CA ARG A 29 26.485 28.420 4.322 1.00 0.00 C ATOM 445 C ARG A 29 25.185 27.784 3.821 1.00 0.00 C ATOM 446 O ARG A 29 25.122 26.570 3.642 1.00 0.00 O ATOM 447 CB ARG A 29 27.286 27.466 5.215 1.00 0.00 C ATOM 448 CG ARG A 29 28.628 28.079 5.624 1.00 0.00 C ATOM 449 CD ARG A 29 29.401 27.087 6.493 1.00 0.00 C ATOM 450 NE ARG A 29 30.697 27.642 6.909 1.00 0.00 N ATOM 451 CZ ARG A 29 31.838 27.500 6.225 1.00 0.00 C ATOM 452 NH1 ARG A 29 31.863 26.832 5.071 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.962 28.030 6.697 1.00 0.00 N ATOM 0 H ARG A 29 26.849 30.449 4.650 1.00 0.00 H new ATOM 0 HA ARG A 29 27.075 28.626 3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.706 27.227 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.458 26.529 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.209 28.331 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.464 29.007 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 29 28.811 26.835 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.560 26.161 5.940 1.00 0.00 H new ATOM 0 HE ARG A 29 30.729 28.172 7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.006 26.422 4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.739 26.731 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.953 28.543 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.833 27.923 6.178 1.00 0.00 H new ATOM 467 N ALA A 30 24.152 28.604 3.601 1.00 0.00 N ATOM 468 CA ALA A 30 22.824 28.147 3.210 1.00 0.00 C ATOM 469 C ALA A 30 22.254 27.104 4.174 1.00 0.00 C ATOM 470 O ALA A 30 21.388 26.318 3.792 1.00 0.00 O ATOM 471 CB ALA A 30 22.837 27.674 1.755 1.00 0.00 C ATOM 0 H ALA A 30 24.221 29.618 3.692 1.00 0.00 H new ATOM 0 HA ALA A 30 22.140 28.993 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.840 27.335 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.136 28.498 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.544 26.852 1.646 1.00 0.00 H new ATOM 477 N ALA A 31 22.730 27.088 5.423 1.00 0.00 N ATOM 478 CA ALA A 31 22.281 26.118 6.411 1.00 0.00 C ATOM 479 C ALA A 31 20.794 26.279 6.720 1.00 0.00 C ATOM 480 O ALA A 31 20.142 25.321 7.128 1.00 0.00 O ATOM 481 CB ALA A 31 23.114 26.300 7.678 1.00 0.00 C ATOM 0 H ALA A 31 23.431 27.743 5.770 1.00 0.00 H new ATOM 0 HA ALA A 31 22.416 25.113 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.792 25.581 8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.167 26.137 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.978 27.312 8.060 1.00 0.00 H new ATOM 487 N VAL A 32 20.248 27.484 6.524 1.00 0.00 N ATOM 488 CA VAL A 32 18.827 27.722 6.733 1.00 0.00 C ATOM 489 C VAL A 32 18.025 27.107 5.587 1.00 0.00 C ATOM 490 O VAL A 32 16.894 26.666 5.791 1.00 0.00 O ATOM 491 CB VAL A 32 18.559 29.226 6.824 1.00 0.00 C ATOM 492 CG1 VAL A 32 17.064 29.483 6.990 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.312 29.830 8.009 1.00 0.00 C ATOM 0 H VAL A 32 20.773 28.305 6.221 1.00 0.00 H new ATOM 0 HA VAL A 32 18.518 27.255 7.668 1.00 0.00 H new ATOM 0 HB VAL A 32 18.907 29.694 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.884 30.556 7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.527 29.075 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.711 29.001 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.111 30.900 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.980 29.354 8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.382 29.667 7.881 1.00 0.00 H new ATOM 503 N LYS A 33 18.598 27.065 4.382 1.00 0.00 N ATOM 504 CA LYS A 33 17.935 26.453 3.245 1.00 0.00 C ATOM 505 C LYS A 33 17.857 24.945 3.460 1.00 0.00 C ATOM 506 O LYS A 33 16.854 24.318 3.123 1.00 0.00 O ATOM 507 CB LYS A 33 18.715 26.784 1.972 1.00 0.00 C ATOM 508 CG LYS A 33 17.927 26.380 0.728 1.00 0.00 C ATOM 509 CD LYS A 33 18.651 26.839 -0.538 1.00 0.00 C ATOM 510 CE LYS A 33 19.967 26.090 -0.747 1.00 0.00 C ATOM 511 NZ LYS A 33 19.739 24.662 -1.051 1.00 0.00 N ATOM 0 H LYS A 33 19.520 27.450 4.176 1.00 0.00 H new ATOM 0 HA LYS A 33 16.922 26.841 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.930 27.852 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.674 26.266 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.798 25.298 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.930 26.819 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.004 26.684 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.849 27.909 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.523 26.552 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.582 26.178 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.654 24.182 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.215 24.220 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.187 24.578 -1.929 1.00 0.00 H new ATOM 525 N LYS A 34 18.919 24.363 4.028 1.00 0.00 N ATOM 526 CA LYS A 34 18.980 22.937 4.329 1.00 0.00 C ATOM 527 C LYS A 34 18.012 22.560 5.447 1.00 0.00 C ATOM 528 O LYS A 34 17.601 21.405 5.543 1.00 0.00 O ATOM 529 CB LYS A 34 20.413 22.565 4.725 1.00 0.00 C ATOM 530 CG LYS A 34 21.398 22.838 3.586 1.00 0.00 C ATOM 531 CD LYS A 34 22.821 22.532 4.057 1.00 0.00 C ATOM 532 CE LYS A 34 23.841 22.874 2.971 1.00 0.00 C ATOM 533 NZ LYS A 34 23.646 22.047 1.765 1.00 0.00 N ATOM 0 H LYS A 34 19.762 24.874 4.291 1.00 0.00 H new ATOM 0 HA LYS A 34 18.686 22.383 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.708 23.134 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.454 21.511 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.150 22.223 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.324 23.878 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.040 23.102 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.903 21.477 4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.754 23.928 2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.849 22.724 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.449 22.181 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.584 21.045 2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 22.767 22.331 1.288 1.00 0.00 H new ATOM 547 N HIS A 35 17.634 23.527 6.297 1.00 0.00 N ATOM 548 CA HIS A 35 16.698 23.282 7.386 1.00 0.00 C ATOM 549 C HIS A 35 15.304 23.005 6.834 1.00 0.00 C ATOM 550 O HIS A 35 14.567 22.190 7.382 1.00 0.00 O ATOM 551 CB HIS A 35 16.703 24.504 8.317 1.00 0.00 C ATOM 552 CG HIS A 35 15.935 24.319 9.604 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.473 24.384 10.876 1.00 0.00 N ATOM 554 CD2 HIS A 35 14.597 24.058 9.730 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.481 24.165 11.759 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.332 23.961 11.084 1.00 0.00 N ATOM 0 H HIS A 35 17.969 24.489 6.244 1.00 0.00 H new ATOM 0 HA HIS A 35 17.000 22.402 7.953 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.736 24.755 8.559 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.285 25.355 7.779 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.885 23.949 8.926 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.588 24.154 12.834 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.421 23.768 11.501 1.00 0.00 H new ATOM 565 N ILE A 36 14.934 23.684 5.747 1.00 0.00 N ATOM 566 CA ILE A 36 13.638 23.491 5.110 1.00 0.00 C ATOM 567 C ILE A 36 13.655 22.228 4.252 1.00 0.00 C ATOM 568 O ILE A 36 12.627 21.577 4.074 1.00 0.00 O ATOM 569 CB ILE A 36 13.294 24.735 4.279 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.174 25.954 5.205 1.00 0.00 C ATOM 571 CG2 ILE A 36 11.986 24.541 3.506 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.185 27.269 4.428 1.00 0.00 C ATOM 0 H ILE A 36 15.523 24.379 5.288 1.00 0.00 H new ATOM 0 HA ILE A 36 12.867 23.359 5.869 1.00 0.00 H new ATOM 0 HB ILE A 36 14.094 24.897 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.252 25.882 5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.997 25.949 5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.769 25.439 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.084 23.690 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.173 24.356 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.098 28.103 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.119 27.356 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.346 27.288 3.732 1.00 0.00 H new ATOM 584 N GLU A 37 14.826 21.870 3.712 1.00 0.00 N ATOM 585 CA GLU A 37 14.961 20.680 2.883 1.00 0.00 C ATOM 586 C GLU A 37 14.813 19.403 3.705 1.00 0.00 C ATOM 587 O GLU A 37 14.261 18.424 3.212 1.00 0.00 O ATOM 588 CB GLU A 37 16.316 20.699 2.180 1.00 0.00 C ATOM 589 CG GLU A 37 16.340 21.796 1.113 1.00 0.00 C ATOM 590 CD GLU A 37 17.716 21.944 0.467 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.816 22.753 -0.479 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.661 21.254 0.913 1.00 0.00 O ATOM 0 H GLU A 37 15.692 22.393 3.838 1.00 0.00 H new ATOM 0 HA GLU A 37 14.162 20.689 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.109 20.871 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.510 19.730 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.602 21.568 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.048 22.745 1.563 1.00 0.00 H new ATOM 599 N ARG A 38 15.294 19.398 4.957 1.00 0.00 N ATOM 600 CA ARG A 38 15.147 18.225 5.817 1.00 0.00 C ATOM 601 C ARG A 38 13.788 18.224 6.514 1.00 0.00 C ATOM 602 O ARG A 38 13.378 17.202 7.056 1.00 0.00 O ATOM 603 CB ARG A 38 16.289 18.175 6.833 1.00 0.00 C ATOM 604 CG ARG A 38 16.202 19.287 7.877 1.00 0.00 C ATOM 605 CD ARG A 38 17.361 19.132 8.859 1.00 0.00 C ATOM 606 NE ARG A 38 17.275 20.107 9.954 1.00 0.00 N ATOM 607 CZ ARG A 38 16.531 19.941 11.048 1.00 0.00 C ATOM 608 NH1 ARG A 38 15.784 18.852 11.206 1.00 0.00 N ATOM 609 NH2 ARG A 38 16.533 20.870 11.999 1.00 0.00 N ATOM 0 H ARG A 38 15.781 20.184 5.388 1.00 0.00 H new ATOM 0 HA ARG A 38 15.197 17.330 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.279 17.208 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.241 18.250 6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.245 20.263 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.250 19.235 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.359 18.122 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.306 19.259 8.331 1.00 0.00 H new ATOM 0 HE ARG A 38 17.819 20.966 9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.775 18.130 10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.220 18.738 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.103 21.709 11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.964 20.744 12.836 1.00 0.00 H new ATOM 623 N GLN A 39 13.089 19.363 6.503 1.00 0.00 N ATOM 624 CA GLN A 39 11.780 19.485 7.127 1.00 0.00 C ATOM 625 C GLN A 39 10.692 18.875 6.249 1.00 0.00 C ATOM 626 O GLN A 39 9.684 18.389 6.760 1.00 0.00 O ATOM 627 CB GLN A 39 11.500 20.967 7.377 1.00 0.00 C ATOM 628 CG GLN A 39 10.067 21.226 7.850 1.00 0.00 C ATOM 629 CD GLN A 39 9.721 20.499 9.144 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.590 20.204 9.962 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.440 20.200 9.344 1.00 0.00 N ATOM 0 H GLN A 39 13.419 20.221 6.061 1.00 0.00 H new ATOM 0 HA GLN A 39 11.777 18.940 8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.199 21.343 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.682 21.527 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.927 22.297 7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.372 20.916 7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.741 20.458 8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.157 19.713 10.194 1.00 0.00 H new ATOM 640 N PHE A 40 10.892 18.900 4.925 1.00 0.00 N ATOM 641 CA PHE A 40 9.911 18.398 3.974 1.00 0.00 C ATOM 642 C PHE A 40 10.471 17.414 2.948 1.00 0.00 C ATOM 643 O PHE A 40 9.775 17.027 2.011 1.00 0.00 O ATOM 644 CB PHE A 40 9.160 19.559 3.326 1.00 0.00 C ATOM 645 CG PHE A 40 8.314 20.356 4.295 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.539 21.732 4.440 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.312 19.731 5.055 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.767 22.486 5.334 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.546 20.485 5.957 1.00 0.00 C ATOM 650 CZ PHE A 40 6.772 21.860 6.099 1.00 0.00 C ATOM 0 H PHE A 40 11.738 19.269 4.491 1.00 0.00 H new ATOM 0 HA PHE A 40 9.201 17.801 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.880 20.227 2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.520 19.169 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.312 22.214 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.131 18.672 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.938 23.548 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.779 20.003 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.182 22.437 6.796 1.00 0.00 H new ATOM 660 N ASN A 41 11.737 17.013 3.128 1.00 0.00 N ATOM 661 CA ASN A 41 12.459 16.135 2.215 1.00 0.00 C ATOM 662 C ASN A 41 12.492 16.711 0.794 1.00 0.00 C ATOM 663 O ASN A 41 12.699 15.982 -0.177 1.00 0.00 O ATOM 664 CB ASN A 41 11.878 14.719 2.290 1.00 0.00 C ATOM 665 CG ASN A 41 12.803 13.676 1.670 1.00 0.00 C ATOM 666 OD1 ASN A 41 14.009 13.889 1.544 1.00 0.00 O ATOM 667 ND2 ASN A 41 12.243 12.537 1.281 1.00 0.00 N ATOM 0 H ASN A 41 12.295 17.300 3.932 1.00 0.00 H new ATOM 0 HA ASN A 41 13.503 16.069 2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.691 14.461 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.916 14.697 1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.816 11.804 0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.240 12.395 1.401 1.00 0.00 H new ATOM 674 N CYS A 42 12.282 18.025 0.671 1.00 0.00 N ATOM 675 CA CYS A 42 12.318 18.727 -0.600 1.00 0.00 C ATOM 676 C CYS A 42 13.731 19.240 -0.877 1.00 0.00 C ATOM 677 O CYS A 42 14.654 19.005 -0.097 1.00 0.00 O ATOM 678 CB CYS A 42 11.320 19.890 -0.545 1.00 0.00 C ATOM 679 SG CYS A 42 11.876 21.125 0.658 1.00 0.00 S ATOM 0 H CYS A 42 12.080 18.632 1.466 1.00 0.00 H new ATOM 0 HA CYS A 42 12.042 18.050 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.226 20.346 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.332 19.520 -0.269 1.00 0.00 H new ATOM 0 HG CYS A 42 11.658 22.317 0.188 1.00 0.00 H new ATOM 685 N VAL A 43 13.897 19.944 -1.997 1.00 0.00 N ATOM 686 CA VAL A 43 15.149 20.591 -2.367 1.00 0.00 C ATOM 687 C VAL A 43 14.817 22.020 -2.780 1.00 0.00 C ATOM 688 O VAL A 43 13.752 22.263 -3.346 1.00 0.00 O ATOM 689 CB VAL A 43 15.833 19.810 -3.498 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.054 20.560 -4.027 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.276 18.436 -2.995 1.00 0.00 C ATOM 0 H VAL A 43 13.152 20.081 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 43 15.849 20.608 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 43 15.110 19.697 -4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.517 19.982 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.745 21.532 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.772 20.702 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.760 17.891 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.978 18.559 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.406 17.877 -2.650 1.00 0.00 H new ATOM 701 N ILE A 44 15.718 22.968 -2.500 1.00 0.00 N ATOM 702 CA ILE A 44 15.498 24.373 -2.824 1.00 0.00 C ATOM 703 C ILE A 44 16.743 24.955 -3.484 1.00 0.00 C ATOM 704 O ILE A 44 17.867 24.593 -3.139 1.00 0.00 O ATOM 705 CB ILE A 44 15.115 25.146 -1.550 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.820 24.570 -0.960 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.949 26.644 -1.848 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.395 25.294 0.318 1.00 0.00 C ATOM 0 H ILE A 44 16.612 22.781 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 44 14.674 24.464 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 44 15.918 25.035 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.022 24.643 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.960 23.511 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.678 27.169 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.887 27.045 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.164 26.782 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.474 24.851 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.180 25.199 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.227 26.349 0.100 1.00 0.00 H new ATOM 720 N THR A 45 16.538 25.863 -4.441 1.00 0.00 N ATOM 721 CA THR A 45 17.623 26.508 -5.166 1.00 0.00 C ATOM 722 C THR A 45 17.428 27.994 -5.429 1.00 0.00 C ATOM 723 O THR A 45 16.534 28.379 -6.179 1.00 0.00 O ATOM 724 CB THR A 45 17.973 25.753 -6.452 1.00 0.00 C ATOM 725 OG1 THR A 45 17.811 24.363 -6.283 1.00 0.00 O ATOM 726 CG2 THR A 45 19.400 26.070 -6.888 1.00 0.00 C ATOM 0 H THR A 45 15.610 26.169 -4.732 1.00 0.00 H new ATOM 0 HA THR A 45 18.474 26.454 -4.487 1.00 0.00 H new ATOM 0 HB THR A 45 17.287 26.084 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.039 23.903 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.630 25.525 -7.803 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.496 27.140 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.095 25.772 -6.103 1.00 0.00 H new ATOM 734 N VAL A 46 18.265 28.834 -4.816 1.00 0.00 N ATOM 735 CA VAL A 46 18.249 30.260 -5.088 1.00 0.00 C ATOM 736 C VAL A 46 19.089 30.537 -6.331 1.00 0.00 C ATOM 737 O VAL A 46 20.141 29.930 -6.520 1.00 0.00 O ATOM 738 CB VAL A 46 18.751 31.058 -3.879 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.681 32.560 -4.158 1.00 0.00 C ATOM 740 CG2 VAL A 46 17.907 30.745 -2.643 1.00 0.00 C ATOM 0 H VAL A 46 18.960 28.544 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 46 17.225 30.583 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 46 19.786 30.770 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.042 33.109 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.302 32.799 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.649 32.844 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.277 31.320 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.868 31.011 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.974 29.681 -2.417 1.00 0.00 H new ATOM 750 N HIS A 47 18.628 31.458 -7.182 1.00 0.00 N ATOM 751 CA HIS A 47 19.302 31.786 -8.428 1.00 0.00 C ATOM 752 C HIS A 47 19.815 33.222 -8.406 1.00 0.00 C ATOM 753 O HIS A 47 19.296 34.083 -9.112 1.00 0.00 O ATOM 754 CB HIS A 47 18.351 31.505 -9.594 1.00 0.00 C ATOM 755 CG HIS A 47 18.209 30.035 -9.901 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.109 29.266 -10.620 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.168 29.229 -9.538 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.619 28.013 -10.688 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.435 27.969 -10.044 1.00 0.00 N ATOM 0 H HIS A 47 17.776 31.994 -7.020 1.00 0.00 H new ATOM 0 HA HIS A 47 20.184 31.159 -8.557 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.369 31.918 -9.362 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.713 32.022 -10.483 1.00 0.00 H new ATOM 0 HD1 HIS A 47 19.987 29.591 -11.026 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.300 29.520 -8.964 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.097 27.178 -11.179 1.00 0.00 H new ATOM 768 N THR A 48 20.843 33.483 -7.592 1.00 0.00 N ATOM 769 CA THR A 48 21.484 34.796 -7.525 1.00 0.00 C ATOM 770 C THR A 48 22.144 35.231 -8.832 1.00 0.00 C ATOM 771 O THR A 48 22.557 36.381 -8.971 1.00 0.00 O ATOM 772 CB THR A 48 22.421 34.919 -6.315 1.00 0.00 C ATOM 773 OG1 THR A 48 23.703 34.439 -6.661 1.00 0.00 O ATOM 774 CG2 THR A 48 21.905 34.150 -5.096 1.00 0.00 C ATOM 0 H THR A 48 21.252 32.791 -6.964 1.00 0.00 H new ATOM 0 HA THR A 48 20.674 35.510 -7.373 1.00 0.00 H new ATOM 0 HB THR A 48 22.466 35.974 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.302 34.519 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.604 34.269 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.929 34.540 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.814 33.093 -5.345 1.00 0.00 H new ATOM 782 N GLU A 49 22.239 34.302 -9.787 1.00 0.00 N ATOM 783 CA GLU A 49 22.687 34.569 -11.147 1.00 0.00 C ATOM 784 C GLU A 49 21.604 35.333 -11.921 1.00 0.00 C ATOM 785 O GLU A 49 21.779 35.635 -13.100 1.00 0.00 O ATOM 786 CB GLU A 49 23.044 33.245 -11.825 1.00 0.00 C ATOM 787 CG GLU A 49 21.824 32.319 -11.918 1.00 0.00 C ATOM 788 CD GLU A 49 22.205 30.889 -12.284 1.00 0.00 C ATOM 789 OE1 GLU A 49 21.316 30.018 -12.162 1.00 0.00 O ATOM 790 OE2 GLU A 49 23.372 30.668 -12.684 1.00 0.00 O ATOM 0 H GLU A 49 22.000 33.323 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 49 23.577 35.198 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.433 33.439 -12.825 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.837 32.750 -11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.298 32.319 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.131 32.709 -12.663 1.00 0.00 H new ATOM 797 N VAL A 50 20.489 35.644 -11.255 1.00 0.00 N ATOM 798 CA VAL A 50 19.380 36.408 -11.815 1.00 0.00 C ATOM 799 C VAL A 50 18.934 37.523 -10.880 1.00 0.00 C ATOM 800 O VAL A 50 18.929 37.349 -9.663 1.00 0.00 O ATOM 801 CB VAL A 50 18.190 35.506 -12.162 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.187 36.251 -13.046 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.620 34.211 -12.849 1.00 0.00 C ATOM 0 H VAL A 50 20.332 35.363 -10.287 1.00 0.00 H new ATOM 0 HA VAL A 50 19.748 36.861 -12.736 1.00 0.00 H new ATOM 0 HB VAL A 50 17.716 35.238 -11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.350 35.593 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.820 37.131 -12.518 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.676 36.560 -13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.740 33.608 -13.073 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.144 34.447 -13.775 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.284 33.652 -12.189 1.00 0.00 H new ATOM 813 N GLN A 51 18.556 38.671 -11.451 1.00 0.00 N ATOM 814 CA GLN A 51 18.042 39.807 -10.704 1.00 0.00 C ATOM 815 C GLN A 51 16.986 40.525 -11.539 1.00 0.00 C ATOM 816 O GLN A 51 17.263 40.967 -12.654 1.00 0.00 O ATOM 817 CB GLN A 51 19.175 40.775 -10.337 1.00 0.00 C ATOM 818 CG GLN A 51 20.158 40.185 -9.322 1.00 0.00 C ATOM 819 CD GLN A 51 19.486 39.846 -7.995 1.00 0.00 C ATOM 820 OE1 GLN A 51 18.452 40.410 -7.644 1.00 0.00 O ATOM 821 NE2 GLN A 51 20.069 38.921 -7.237 1.00 0.00 N ATOM 0 H GLN A 51 18.602 38.832 -12.457 1.00 0.00 H new ATOM 0 HA GLN A 51 17.592 39.447 -9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.717 41.052 -11.241 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.746 41.691 -9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.610 39.285 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.966 40.895 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 51 20.927 38.469 -7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.658 38.664 -6.340 1.00 0.00 H new ATOM 830 N SER A 52 15.778 40.636 -10.991 1.00 0.00 N ATOM 831 CA SER A 52 14.685 41.345 -11.645 1.00 0.00 C ATOM 832 C SER A 52 14.870 42.852 -11.505 1.00 0.00 C ATOM 833 O SER A 52 15.669 43.313 -10.689 1.00 0.00 O ATOM 834 CB SER A 52 13.353 40.893 -11.051 1.00 0.00 C ATOM 835 OG SER A 52 12.294 41.606 -11.654 1.00 0.00 O ATOM 0 H SER A 52 15.532 40.238 -10.085 1.00 0.00 H new ATOM 0 HA SER A 52 14.686 41.109 -12.709 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.219 39.823 -11.208 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.349 41.060 -9.974 1.00 0.00 H new ATOM 0 HG SER A 52 11.520 41.613 -11.053 1.00 0.00 H new ATOM 841 N SER A 53 14.127 43.625 -12.299 1.00 0.00 N ATOM 842 CA SER A 53 14.205 45.081 -12.287 1.00 0.00 C ATOM 843 C SER A 53 13.727 45.645 -10.951 1.00 0.00 C ATOM 844 O SER A 53 14.016 46.799 -10.636 1.00 0.00 O ATOM 845 CB SER A 53 13.352 45.647 -13.424 1.00 0.00 C ATOM 846 OG SER A 53 13.864 45.223 -14.670 1.00 0.00 O ATOM 0 H SER A 53 13.453 43.255 -12.969 1.00 0.00 H new ATOM 0 HA SER A 53 15.246 45.373 -12.426 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.319 45.316 -13.314 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.344 46.736 -13.376 1.00 0.00 H new ATOM 0 HG SER A 53 13.311 45.588 -15.392 1.00 0.00 H new ATOM 852 N PHE A 54 13.003 44.842 -10.165 1.00 0.00 N ATOM 853 CA PHE A 54 12.558 45.224 -8.836 1.00 0.00 C ATOM 854 C PHE A 54 13.516 44.918 -7.682 1.00 0.00 C ATOM 855 O PHE A 54 13.158 45.072 -6.515 1.00 0.00 O ATOM 856 CB PHE A 54 11.084 44.898 -8.574 1.00 0.00 C ATOM 857 CG PHE A 54 10.623 43.550 -9.090 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.089 42.373 -8.495 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.720 43.480 -10.165 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.639 41.126 -8.951 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.276 42.231 -10.622 1.00 0.00 C ATOM 862 CZ PHE A 54 9.731 41.055 -10.014 1.00 0.00 C ATOM 0 H PHE A 54 12.711 43.905 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 54 12.606 46.313 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.904 44.939 -7.500 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.469 45.674 -9.030 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.798 42.425 -7.682 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.369 44.386 -10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.993 40.220 -8.482 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.580 42.176 -11.446 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.382 40.095 -10.364 1.00 0.00 H new ATOM 872 N GLY A 55 14.742 44.489 -7.999 1.00 0.00 N ATOM 873 CA GLY A 55 15.763 44.243 -6.988 1.00 0.00 C ATOM 874 C GLY A 55 15.491 42.977 -6.183 1.00 0.00 C ATOM 875 O GLY A 55 15.666 42.976 -4.963 1.00 0.00 O ATOM 0 H GLY A 55 15.048 44.306 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.737 44.161 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.814 45.096 -6.312 1.00 0.00 H new ATOM 879 N ALA A 56 15.060 41.902 -6.851 1.00 0.00 N ATOM 880 CA ALA A 56 14.724 40.656 -6.174 1.00 0.00 C ATOM 881 C ALA A 56 15.322 39.435 -6.869 1.00 0.00 C ATOM 882 O ALA A 56 15.524 39.427 -8.085 1.00 0.00 O ATOM 883 CB ALA A 56 13.205 40.532 -6.081 1.00 0.00 C ATOM 0 H ALA A 56 14.937 41.875 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 56 15.158 40.686 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.946 39.602 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.805 41.375 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.778 40.531 -7.084 1.00 0.00 H new ATOM 889 N THR A 57 15.597 38.403 -6.069 1.00 0.00 N ATOM 890 CA THR A 57 16.158 37.138 -6.510 1.00 0.00 C ATOM 891 C THR A 57 15.124 36.017 -6.616 1.00 0.00 C ATOM 892 O THR A 57 14.369 35.803 -5.668 1.00 0.00 O ATOM 893 CB THR A 57 17.349 36.730 -5.637 1.00 0.00 C ATOM 894 OG1 THR A 57 18.124 37.856 -5.295 1.00 0.00 O ATOM 895 CG2 THR A 57 18.223 35.705 -6.352 1.00 0.00 C ATOM 0 H THR A 57 15.427 38.433 -5.064 1.00 0.00 H new ATOM 0 HA THR A 57 16.518 37.300 -7.526 1.00 0.00 H new ATOM 0 HB THR A 57 16.954 36.280 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.879 37.576 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.061 35.432 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.633 34.816 -6.576 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.600 36.133 -7.281 1.00 0.00 H new ATOM 903 N PRO A 58 15.068 35.293 -7.741 1.00 0.00 N ATOM 904 CA PRO A 58 14.157 34.178 -7.917 1.00 0.00 C ATOM 905 C PRO A 58 14.708 32.923 -7.240 1.00 0.00 C ATOM 906 O PRO A 58 15.919 32.763 -7.090 1.00 0.00 O ATOM 907 CB PRO A 58 14.050 33.996 -9.426 1.00 0.00 C ATOM 908 CG PRO A 58 15.438 34.407 -9.916 1.00 0.00 C ATOM 909 CD PRO A 58 15.864 35.500 -8.935 1.00 0.00 C ATOM 0 HA PRO A 58 13.182 34.360 -7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.815 32.966 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.268 34.623 -9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.132 33.566 -9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.407 34.779 -10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.929 35.431 -8.712 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.689 36.491 -9.354 1.00 0.00 H new ATOM 917 N VAL A 59 13.801 32.030 -6.840 1.00 0.00 N ATOM 918 CA VAL A 59 14.131 30.752 -6.222 1.00 0.00 C ATOM 919 C VAL A 59 13.267 29.613 -6.743 1.00 0.00 C ATOM 920 O VAL A 59 12.155 29.847 -7.212 1.00 0.00 O ATOM 921 CB VAL A 59 14.170 30.821 -4.683 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.541 32.215 -4.168 1.00 0.00 C ATOM 923 CG2 VAL A 59 12.824 30.434 -4.065 1.00 0.00 C ATOM 0 H VAL A 59 12.797 32.181 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 59 15.151 30.522 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 59 14.939 30.110 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.554 32.209 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.527 32.490 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.806 32.940 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.891 30.495 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.051 31.116 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.570 29.415 -4.356 1.00 0.00 H new ATOM 933 N GLU A 60 13.778 28.385 -6.654 1.00 0.00 N ATOM 934 CA GLU A 60 13.078 27.185 -7.087 1.00 0.00 C ATOM 935 C GLU A 60 12.937 26.189 -5.940 1.00 0.00 C ATOM 936 O GLU A 60 13.724 26.202 -4.997 1.00 0.00 O ATOM 937 CB GLU A 60 13.810 26.533 -8.258 1.00 0.00 C ATOM 938 CG GLU A 60 13.454 27.208 -9.581 1.00 0.00 C ATOM 939 CD GLU A 60 14.354 26.736 -10.723 1.00 0.00 C ATOM 940 OE1 GLU A 60 13.998 27.019 -11.888 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.391 26.094 -10.433 1.00 0.00 O ATOM 0 H GLU A 60 14.705 28.198 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 60 12.080 27.478 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.886 26.592 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.553 25.475 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.414 26.997 -9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.542 28.289 -9.472 1.00 0.00 H new ATOM 948 N ILE A 61 11.923 25.327 -6.038 1.00 0.00 N ATOM 949 CA ILE A 61 11.669 24.261 -5.083 1.00 0.00 C ATOM 950 C ILE A 61 11.376 22.979 -5.857 1.00 0.00 C ATOM 951 O ILE A 61 10.776 23.035 -6.930 1.00 0.00 O ATOM 952 CB ILE A 61 10.499 24.635 -4.165 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.749 26.005 -3.518 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.269 23.546 -3.111 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.593 26.427 -2.609 1.00 0.00 C ATOM 0 H ILE A 61 11.246 25.356 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 61 12.543 24.107 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 61 9.590 24.708 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.672 25.970 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.890 26.754 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.435 23.831 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.040 22.602 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.168 23.429 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.811 27.401 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.675 26.488 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.469 25.692 -1.814 1.00 0.00 H new ATOM 967 N VAL A 62 11.802 21.836 -5.317 1.00 0.00 N ATOM 968 CA VAL A 62 11.617 20.537 -5.949 1.00 0.00 C ATOM 969 C VAL A 62 11.247 19.480 -4.920 1.00 0.00 C ATOM 970 O VAL A 62 11.820 19.448 -3.830 1.00 0.00 O ATOM 971 CB VAL A 62 12.867 20.134 -6.739 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.601 18.867 -7.544 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.322 21.244 -7.694 1.00 0.00 C ATOM 0 H VAL A 62 12.288 21.790 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 62 10.789 20.615 -6.654 1.00 0.00 H new ATOM 0 HB VAL A 62 13.660 19.956 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.498 18.594 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.332 18.056 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.782 19.044 -8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.211 20.918 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.525 21.462 -8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.555 22.143 -7.123 1.00 0.00 H new ATOM 983 N ALA A 63 10.291 18.607 -5.255 1.00 0.00 N ATOM 984 CA ALA A 63 9.871 17.525 -4.379 1.00 0.00 C ATOM 985 C ALA A 63 9.167 16.437 -5.184 1.00 0.00 C ATOM 986 O ALA A 63 8.759 16.665 -6.323 1.00 0.00 O ATOM 987 CB ALA A 63 8.937 18.070 -3.297 1.00 0.00 C ATOM 0 H ALA A 63 9.791 18.637 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 63 10.751 17.090 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.624 17.256 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.460 18.826 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.060 18.517 -3.765 1.00 0.00 H new ATOM 993 N GLN A 64 9.019 15.250 -4.594 1.00 0.00 N ATOM 994 CA GLN A 64 8.375 14.129 -5.264 1.00 0.00 C ATOM 995 C GLN A 64 6.852 14.282 -5.287 1.00 0.00 C ATOM 996 O GLN A 64 6.184 13.585 -6.048 1.00 0.00 O ATOM 997 CB GLN A 64 8.803 12.838 -4.562 1.00 0.00 C ATOM 998 CG GLN A 64 8.286 11.587 -5.285 1.00 0.00 C ATOM 999 CD GLN A 64 8.921 10.316 -4.739 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.511 10.315 -3.660 1.00 0.00 O ATOM 1001 NE2 GLN A 64 8.815 9.216 -5.479 1.00 0.00 N ATOM 0 H GLN A 64 9.340 15.044 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 64 8.690 14.099 -6.307 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.891 12.800 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.431 12.843 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.203 11.527 -5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.497 11.670 -6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.320 9.247 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.229 8.342 -5.155 1.00 0.00 H new ATOM 1010 N ASN A 65 6.295 15.178 -4.465 1.00 0.00 N ATOM 1011 CA ASN A 65 4.850 15.365 -4.360 1.00 0.00 C ATOM 1012 C ASN A 65 4.515 16.826 -4.047 1.00 0.00 C ATOM 1013 O ASN A 65 5.334 17.538 -3.463 1.00 0.00 O ATOM 1014 CB ASN A 65 4.293 14.475 -3.245 1.00 0.00 C ATOM 1015 CG ASN A 65 4.626 13.003 -3.429 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.143 12.354 -4.356 1.00 0.00 O ATOM 1017 ND2 ASN A 65 5.457 12.460 -2.545 1.00 0.00 N ATOM 0 H ASN A 65 6.836 15.792 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 65 4.399 15.093 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.689 14.813 -2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.210 14.593 -3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.713 11.476 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.839 13.028 -1.789 1.00 0.00 H new ATOM 1024 N LYS A 66 3.315 17.275 -4.425 1.00 0.00 N ATOM 1025 CA LYS A 66 2.862 18.623 -4.111 1.00 0.00 C ATOM 1026 C LYS A 66 2.670 18.788 -2.604 1.00 0.00 C ATOM 1027 O LYS A 66 2.793 19.894 -2.082 1.00 0.00 O ATOM 1028 CB LYS A 66 1.545 18.914 -4.836 1.00 0.00 C ATOM 1029 CG LYS A 66 1.715 18.856 -6.356 1.00 0.00 C ATOM 1030 CD LYS A 66 0.381 19.210 -7.016 1.00 0.00 C ATOM 1031 CE LYS A 66 0.487 19.191 -8.538 1.00 0.00 C ATOM 1032 NZ LYS A 66 0.751 17.837 -9.058 1.00 0.00 N ATOM 0 H LYS A 66 2.641 16.718 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 66 3.622 19.330 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.791 18.191 -4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.180 19.900 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.491 19.552 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.035 17.860 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.384 18.503 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.061 20.198 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.439 19.571 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.285 19.862 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.698 17.848 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.700 17.531 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.041 17.176 -8.682 1.00 0.00 H new ATOM 1046 N GLU A 67 2.372 17.687 -1.912 1.00 0.00 N ATOM 1047 CA GLU A 67 2.190 17.672 -0.468 1.00 0.00 C ATOM 1048 C GLU A 67 3.506 17.909 0.273 1.00 0.00 C ATOM 1049 O GLU A 67 3.513 17.976 1.501 1.00 0.00 O ATOM 1050 CB GLU A 67 1.553 16.347 -0.032 1.00 0.00 C ATOM 1051 CG GLU A 67 0.105 16.209 -0.521 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.029 15.763 -1.978 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.191 15.703 -2.442 1.00 0.00 O ATOM 1054 OE2 GLU A 67 1.007 15.486 -2.622 1.00 0.00 O ATOM 0 H GLU A 67 2.250 16.773 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 67 1.521 18.492 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.145 15.517 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.575 16.276 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.414 15.492 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.400 17.167 -0.399 1.00 0.00 H new ATOM 1061 N GLN A 68 4.620 18.039 -0.460 1.00 0.00 N ATOM 1062 CA GLN A 68 5.911 18.365 0.126 1.00 0.00 C ATOM 1063 C GLN A 68 6.505 19.612 -0.527 1.00 0.00 C ATOM 1064 O GLN A 68 7.329 20.290 0.083 1.00 0.00 O ATOM 1065 CB GLN A 68 6.859 17.178 -0.050 1.00 0.00 C ATOM 1066 CG GLN A 68 6.315 15.905 0.606 1.00 0.00 C ATOM 1067 CD GLN A 68 7.185 14.705 0.267 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.689 13.691 -0.215 1.00 0.00 O ATOM 1069 NE2 GLN A 68 8.490 14.805 0.508 1.00 0.00 N ATOM 0 H GLN A 68 4.643 17.920 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 68 5.775 18.572 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.020 16.997 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.829 17.422 0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.276 16.037 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.294 15.726 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.870 15.662 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.110 14.025 0.291 1.00 0.00 H new ATOM 1078 N CYS A 69 6.098 19.926 -1.762 1.00 0.00 N ATOM 1079 CA CYS A 69 6.627 21.081 -2.474 1.00 0.00 C ATOM 1080 C CYS A 69 5.917 22.349 -1.998 1.00 0.00 C ATOM 1081 O CYS A 69 6.543 23.393 -1.837 1.00 0.00 O ATOM 1082 CB CYS A 69 6.391 20.875 -3.970 1.00 0.00 C ATOM 1083 SG CYS A 69 7.428 22.033 -4.899 1.00 0.00 S ATOM 0 H CYS A 69 5.403 19.392 -2.284 1.00 0.00 H new ATOM 0 HA CYS A 69 7.694 21.188 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.629 19.849 -4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.340 21.035 -4.210 1.00 0.00 H new ATOM 0 HG CYS A 69 7.235 21.863 -6.173 1.00 0.00 H new ATOM 1089 N GLN A 70 4.602 22.258 -1.770 1.00 0.00 N ATOM 1090 CA GLN A 70 3.809 23.403 -1.335 1.00 0.00 C ATOM 1091 C GLN A 70 4.096 23.762 0.119 1.00 0.00 C ATOM 1092 O GLN A 70 3.970 24.924 0.505 1.00 0.00 O ATOM 1093 CB GLN A 70 2.318 23.083 -1.481 1.00 0.00 C ATOM 1094 CG GLN A 70 1.912 22.827 -2.937 1.00 0.00 C ATOM 1095 CD GLN A 70 1.978 24.080 -3.803 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.175 25.189 -3.314 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.812 23.903 -5.114 1.00 0.00 N ATOM 0 H GLN A 70 4.067 21.397 -1.881 1.00 0.00 H new ATOM 0 HA GLN A 70 4.080 24.252 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.078 22.206 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.731 23.911 -1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.564 22.064 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.898 22.429 -2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.650 22.967 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.847 24.704 -5.745 1.00 0.00 H new ATOM 1106 N GLU A 71 4.486 22.782 0.935 1.00 0.00 N ATOM 1107 CA GLU A 71 4.757 23.038 2.338 1.00 0.00 C ATOM 1108 C GLU A 71 6.055 23.827 2.490 1.00 0.00 C ATOM 1109 O GLU A 71 6.189 24.626 3.414 1.00 0.00 O ATOM 1110 CB GLU A 71 4.846 21.705 3.088 1.00 0.00 C ATOM 1111 CG GLU A 71 3.563 20.879 2.952 1.00 0.00 C ATOM 1112 CD GLU A 71 2.339 21.550 3.575 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.223 21.055 3.304 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.513 22.544 4.314 1.00 0.00 O ATOM 0 H GLU A 71 4.619 21.813 0.646 1.00 0.00 H new ATOM 0 HA GLU A 71 3.947 23.632 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.689 21.130 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.043 21.896 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.369 20.695 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.714 19.907 3.422 1.00 0.00 H new ATOM 1121 N ALA A 72 7.014 23.606 1.585 1.00 0.00 N ATOM 1122 CA ALA A 72 8.262 24.350 1.580 1.00 0.00 C ATOM 1123 C ALA A 72 8.066 25.725 0.939 1.00 0.00 C ATOM 1124 O ALA A 72 8.772 26.671 1.273 1.00 0.00 O ATOM 1125 CB ALA A 72 9.304 23.544 0.804 1.00 0.00 C ATOM 0 H ALA A 72 6.941 22.910 0.843 1.00 0.00 H new ATOM 0 HA ALA A 72 8.601 24.506 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.248 24.088 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.449 22.577 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.958 23.391 -0.218 1.00 0.00 H new ATOM 1131 N ARG A 73 7.102 25.838 0.015 1.00 0.00 N ATOM 1132 CA ARG A 73 6.802 27.095 -0.654 1.00 0.00 C ATOM 1133 C ARG A 73 6.143 28.080 0.299 1.00 0.00 C ATOM 1134 O ARG A 73 6.456 29.267 0.272 1.00 0.00 O ATOM 1135 CB ARG A 73 5.884 26.809 -1.845 1.00 0.00 C ATOM 1136 CG ARG A 73 5.289 28.075 -2.460 1.00 0.00 C ATOM 1137 CD ARG A 73 6.371 29.032 -2.959 1.00 0.00 C ATOM 1138 NE ARG A 73 5.803 30.073 -3.826 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.977 31.039 -3.419 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.628 31.146 -2.141 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.495 31.911 -4.299 1.00 0.00 N ATOM 0 H ARG A 73 6.515 25.059 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 73 7.731 27.548 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.446 26.271 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.075 26.153 -1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.635 27.803 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.670 28.582 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.870 29.496 -2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.130 28.473 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 73 6.059 30.056 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.992 30.484 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.996 31.890 -1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.757 31.841 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.863 32.650 -3.991 1.00 0.00 H new ATOM 1155 N ASN A 74 5.235 27.589 1.141 1.00 0.00 N ATOM 1156 CA ASN A 74 4.528 28.427 2.092 1.00 0.00 C ATOM 1157 C ASN A 74 5.361 28.731 3.340 1.00 0.00 C ATOM 1158 O ASN A 74 4.983 29.596 4.127 1.00 0.00 O ATOM 1159 CB ASN A 74 3.188 27.769 2.435 1.00 0.00 C ATOM 1160 CG ASN A 74 2.197 27.924 1.287 1.00 0.00 C ATOM 1161 OD1 ASN A 74 1.680 29.012 1.051 1.00 0.00 O ATOM 1162 ND2 ASN A 74 1.926 26.841 0.567 1.00 0.00 N ATOM 0 H ASN A 74 4.974 26.604 1.179 1.00 0.00 H new ATOM 0 HA ASN A 74 4.340 29.397 1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.342 26.711 2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.778 28.220 3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.269 26.897 -0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.375 25.953 0.792 1.00 0.00 H new ATOM 1169 N ALA A 75 6.489 28.035 3.530 1.00 0.00 N ATOM 1170 CA ALA A 75 7.345 28.276 4.681 1.00 0.00 C ATOM 1171 C ALA A 75 8.299 29.441 4.427 1.00 0.00 C ATOM 1172 O ALA A 75 8.656 30.153 5.362 1.00 0.00 O ATOM 1173 CB ALA A 75 8.135 27.000 4.978 1.00 0.00 C ATOM 0 H ALA A 75 6.823 27.305 2.900 1.00 0.00 H new ATOM 0 HA ALA A 75 6.725 28.542 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.782 27.165 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.443 26.186 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.743 26.739 4.112 1.00 0.00 H new ATOM 1179 N VAL A 76 8.720 29.652 3.175 1.00 0.00 N ATOM 1180 CA VAL A 76 9.707 30.677 2.851 1.00 0.00 C ATOM 1181 C VAL A 76 9.046 32.052 2.767 1.00 0.00 C ATOM 1182 O VAL A 76 9.730 33.072 2.719 1.00 0.00 O ATOM 1183 CB VAL A 76 10.400 30.302 1.530 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.382 31.370 1.044 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.186 29.004 1.719 1.00 0.00 C ATOM 0 H VAL A 76 8.388 29.122 2.369 1.00 0.00 H new ATOM 0 HA VAL A 76 10.458 30.730 3.640 1.00 0.00 H new ATOM 0 HB VAL A 76 9.610 30.198 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.838 31.046 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.850 32.307 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.159 31.518 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.678 28.737 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.937 29.143 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.504 28.205 2.012 1.00 0.00 H new ATOM 1195 N MET A 77 7.710 32.096 2.753 1.00 0.00 N ATOM 1196 CA MET A 77 6.991 33.354 2.621 1.00 0.00 C ATOM 1197 C MET A 77 6.804 34.091 3.946 1.00 0.00 C ATOM 1198 O MET A 77 6.312 35.216 3.945 1.00 0.00 O ATOM 1199 CB MET A 77 5.636 33.087 1.966 1.00 0.00 C ATOM 1200 CG MET A 77 5.798 32.465 0.574 1.00 0.00 C ATOM 1201 SD MET A 77 6.375 33.605 -0.713 1.00 0.00 S ATOM 1202 CE MET A 77 8.142 33.204 -0.717 1.00 0.00 C ATOM 0 H MET A 77 7.111 31.274 2.832 1.00 0.00 H new ATOM 0 HA MET A 77 7.598 34.010 1.997 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.050 32.419 2.598 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.079 34.021 1.886 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.500 31.634 0.643 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.840 32.048 0.265 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.546 33.348 -1.719 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.665 33.857 -0.018 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.280 32.165 -0.416 1.00 0.00 H new ATOM 1212 N SER A 78 7.182 33.486 5.078 1.00 0.00 N ATOM 1213 CA SER A 78 7.020 34.155 6.368 1.00 0.00 C ATOM 1214 C SER A 78 7.935 33.582 7.451 1.00 0.00 C ATOM 1215 O SER A 78 8.457 34.336 8.272 1.00 0.00 O ATOM 1216 CB SER A 78 5.560 34.030 6.801 1.00 0.00 C ATOM 1217 OG SER A 78 5.381 34.605 8.080 1.00 0.00 O ATOM 0 H SER A 78 7.594 32.554 5.126 1.00 0.00 H new ATOM 0 HA SER A 78 7.302 35.200 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.914 34.527 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.267 32.980 6.822 1.00 0.00 H new ATOM 0 HG SER A 78 4.442 34.521 8.348 1.00 0.00 H new ATOM 1223 N LEU A 79 8.133 32.258 7.465 1.00 0.00 N ATOM 1224 CA LEU A 79 8.938 31.615 8.493 1.00 0.00 C ATOM 1225 C LEU A 79 10.417 31.657 8.131 1.00 0.00 C ATOM 1226 O LEU A 79 11.250 32.048 8.947 1.00 0.00 O ATOM 1227 CB LEU A 79 8.479 30.165 8.665 1.00 0.00 C ATOM 1228 CG LEU A 79 6.980 30.049 8.957 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.613 28.573 9.108 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.611 30.777 10.249 1.00 0.00 C ATOM 0 H LEU A 79 7.744 31.617 6.773 1.00 0.00 H new ATOM 0 HA LEU A 79 8.805 32.154 9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.713 29.605 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.040 29.705 9.479 1.00 0.00 H new ATOM 0 HG LEU A 79 6.434 30.503 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.547 28.483 9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.849 28.043 8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.181 28.139 9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.541 30.677 10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.162 30.341 11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.867 31.833 10.158 1.00 0.00 H new ATOM 1242 N MET A 80 10.728 31.247 6.898 1.00 0.00 N ATOM 1243 CA MET A 80 12.074 31.154 6.343 1.00 0.00 C ATOM 1244 C MET A 80 13.026 30.304 7.196 1.00 0.00 C ATOM 1245 O MET A 80 14.191 30.159 6.837 1.00 0.00 O ATOM 1246 CB MET A 80 12.629 32.560 6.090 1.00 0.00 C ATOM 1247 CG MET A 80 11.606 33.420 5.344 1.00 0.00 C ATOM 1248 SD MET A 80 12.226 35.031 4.797 1.00 0.00 S ATOM 1249 CE MET A 80 13.145 34.504 3.327 1.00 0.00 C ATOM 0 H MET A 80 10.012 30.958 6.231 1.00 0.00 H new ATOM 0 HA MET A 80 12.000 30.627 5.392 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.885 33.031 7.039 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.549 32.494 5.509 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.253 32.867 4.473 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.744 33.579 5.992 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.631 35.368 2.873 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.900 33.772 3.613 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.458 34.055 2.610 1.00 0.00 H new ATOM 1259 N GLN A 81 12.542 29.746 8.312 1.00 0.00 N ATOM 1260 CA GLN A 81 13.319 28.947 9.254 1.00 0.00 C ATOM 1261 C GLN A 81 14.598 29.652 9.724 1.00 0.00 C ATOM 1262 O GLN A 81 15.512 29.007 10.234 1.00 0.00 O ATOM 1263 CB GLN A 81 13.587 27.546 8.688 1.00 0.00 C ATOM 1264 CG GLN A 81 12.286 26.809 8.349 1.00 0.00 C ATOM 1265 CD GLN A 81 11.375 26.595 9.554 1.00 0.00 C ATOM 1266 OE1 GLN A 81 11.822 26.586 10.696 1.00 0.00 O ATOM 1267 NE2 GLN A 81 10.081 26.420 9.303 1.00 0.00 N ATOM 0 H GLN A 81 11.565 29.844 8.589 1.00 0.00 H new ATOM 0 HA GLN A 81 12.715 28.827 10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.202 27.628 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.156 26.964 9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.745 27.374 7.590 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.530 25.841 7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.742 26.433 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.428 26.273 10.072 1.00 0.00 H new ATOM 1276 N SER A 82 14.665 30.978 9.552 1.00 0.00 N ATOM 1277 CA SER A 82 15.838 31.781 9.880 1.00 0.00 C ATOM 1278 C SER A 82 15.866 32.186 11.357 1.00 0.00 C ATOM 1279 O SER A 82 16.709 32.980 11.769 1.00 0.00 O ATOM 1280 CB SER A 82 15.873 32.999 8.961 1.00 0.00 C ATOM 1281 OG SER A 82 17.064 33.736 9.161 1.00 0.00 O ATOM 0 H SER A 82 13.892 31.526 9.175 1.00 0.00 H new ATOM 0 HA SER A 82 16.733 31.180 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.806 32.679 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.008 33.634 9.155 1.00 0.00 H new ATOM 0 HG SER A 82 17.328 33.682 10.103 1.00 0.00 H new ATOM 1287 N HIS A 83 14.948 31.648 12.165 1.00 0.00 N ATOM 1288 CA HIS A 83 14.855 31.974 13.581 1.00 0.00 C ATOM 1289 C HIS A 83 16.124 31.576 14.335 1.00 0.00 C ATOM 1290 O HIS A 83 16.781 30.595 13.989 1.00 0.00 O ATOM 1291 CB HIS A 83 13.615 31.310 14.179 1.00 0.00 C ATOM 1292 CG HIS A 83 13.448 29.870 13.769 1.00 0.00 C ATOM 1293 ND1 HIS A 83 14.298 28.820 14.065 1.00 0.00 N ATOM 1294 CD2 HIS A 83 12.398 29.370 13.051 1.00 0.00 C ATOM 1295 CE1 HIS A 83 13.780 27.706 13.522 1.00 0.00 C ATOM 1296 NE2 HIS A 83 12.628 28.014 12.897 1.00 0.00 N ATOM 0 H HIS A 83 14.250 30.974 11.850 1.00 0.00 H new ATOM 0 HA HIS A 83 14.758 33.055 13.685 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.671 31.366 15.266 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.731 31.871 13.876 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.552 29.926 12.676 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.218 26.720 13.578 1.00 0.00 H new ATOM 0 HE2 HIS A 83 12.027 27.360 12.396 1.00 0.00 H new ATOM 1305 N GLN A 84 16.458 32.348 15.373 1.00 0.00 N ATOM 1306 CA GLN A 84 17.664 32.146 16.170 1.00 0.00 C ATOM 1307 C GLN A 84 17.482 31.072 17.248 1.00 0.00 C ATOM 1308 O GLN A 84 18.283 30.985 18.179 1.00 0.00 O ATOM 1309 CB GLN A 84 18.118 33.481 16.767 1.00 0.00 C ATOM 1310 CG GLN A 84 17.104 34.051 17.763 1.00 0.00 C ATOM 1311 CD GLN A 84 17.607 35.334 18.414 1.00 0.00 C ATOM 1312 OE1 GLN A 84 18.683 35.832 18.088 1.00 0.00 O ATOM 1313 NE2 GLN A 84 16.838 35.886 19.349 1.00 0.00 N ATOM 0 H GLN A 84 15.891 33.137 15.684 1.00 0.00 H new ATOM 0 HA GLN A 84 18.447 31.773 15.510 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.077 33.345 17.267 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.277 34.200 15.963 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.163 34.249 17.250 1.00 0.00 H new ATOM 0 HG3 GLN A 84 16.897 33.309 18.535 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.950 35.452 19.600 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.137 36.743 19.814 1.00 0.00 H new ATOM 1322 N ASP A 85 16.431 30.252 17.136 1.00 0.00 N ATOM 1323 CA ASP A 85 16.160 29.166 18.071 1.00 0.00 C ATOM 1324 C ASP A 85 15.922 29.583 19.523 1.00 0.00 C ATOM 1325 O ASP A 85 16.193 28.817 20.452 1.00 0.00 O ATOM 1326 CB ASP A 85 17.156 28.003 17.906 1.00 0.00 C ATOM 1327 CG ASP A 85 16.963 27.256 16.588 1.00 0.00 C ATOM 1328 OD1 ASP A 85 16.104 27.680 15.782 1.00 0.00 O ATOM 1329 OD2 ASP A 85 17.687 26.251 16.392 1.00 0.00 O ATOM 0 H ASP A 85 15.743 30.328 16.387 1.00 0.00 H new ATOM 0 HA ASP A 85 15.180 28.787 17.780 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.174 28.390 17.956 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.038 27.307 18.736 1.00 0.00 H new ATOM 1334 N LYS A 86 15.413 30.805 19.721 1.00 0.00 N ATOM 1335 CA LYS A 86 15.092 31.335 21.040 1.00 0.00 C ATOM 1336 C LYS A 86 14.010 30.496 21.722 1.00 0.00 C ATOM 1337 O LYS A 86 13.168 29.912 21.000 1.00 0.00 O ATOM 1338 CB LYS A 86 14.664 32.801 20.919 1.00 0.00 C ATOM 1339 CG LYS A 86 13.402 32.965 20.062 1.00 0.00 C ATOM 1340 CD LYS A 86 13.005 34.442 19.996 1.00 0.00 C ATOM 1341 CE LYS A 86 11.734 34.591 19.164 1.00 0.00 C ATOM 1342 NZ LYS A 86 11.316 36.002 19.073 1.00 0.00 N ATOM 0 H LYS A 86 15.213 31.454 18.960 1.00 0.00 H new ATOM 0 HA LYS A 86 15.983 31.283 21.666 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.482 33.208 21.914 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.477 33.381 20.481 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.582 32.583 19.057 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.586 32.379 20.485 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.842 34.831 21.001 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.812 35.027 19.555 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.903 34.194 18.163 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.934 34.000 19.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.450 36.071 18.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.132 36.372 20.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.071 36.560 18.626 1.00 0.00 H new TER 1356 LYS A 86