USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 696 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 58 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.91 K(o=2.1,f=-6!) USER MOD Set 2.1: A 43 HIS : no HE2:sc=-0.00757 K(o=-0.0076,f=-0.57) USER MOD Set 2.2: A 72 MET CE :methyl 164:sc= 0 (180deg=-0.383) USER MOD Set 3.1: A 11 GLN : amide:sc=-0.00197 K(o=0.92,f=0.11) USER MOD Set 3.2: A 15 ASN : amide:sc= 0.927 K(o=0.92,f=0.11) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0602) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0143 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.16) USER MOD Single : A 6 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=-0.027) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 77:sc= 0.508 USER MOD Single : A 24 MET CE :methyl 174:sc= -0.0655 (180deg=-0.173) USER MOD Single : A 27 ASN : amide:sc= 0.325 K(o=0.33,f=-1.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.032) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -88:sc= 1.25 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 179:sc= 0 (180deg=-0.00444) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -103:sc= 0.424 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 61 TYR OH : rot -158:sc= 1.17 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 65 MET CE :methyl 178:sc= 0 (180deg=-0.00252) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.102) USER MOD Single : A 67 SER OG : rot 83:sc= 0.182 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 82:sc= 1.2 USER MOD Single : A 75 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.391 4.153 23.825 1.00 0.00 N ATOM 2 CA MET A 1 13.740 3.771 23.365 1.00 0.00 C ATOM 3 C MET A 1 14.181 4.643 22.197 1.00 0.00 C ATOM 4 O MET A 1 13.372 4.974 21.331 1.00 0.00 O ATOM 5 CB MET A 1 13.790 2.274 23.025 1.00 0.00 C ATOM 6 CG MET A 1 15.226 1.753 22.903 1.00 0.00 C ATOM 7 SD MET A 1 15.367 -0.012 22.519 1.00 0.00 S ATOM 8 CE MET A 1 14.786 -0.759 24.066 1.00 0.00 C ATOM 0 H1 MET A 1 11.815 3.298 23.960 1.00 0.00 H new ATOM 0 H2 MET A 1 12.464 4.667 24.726 1.00 0.00 H new ATOM 0 H3 MET A 1 11.942 4.764 23.114 1.00 0.00 H new ATOM 0 HA MET A 1 14.449 3.942 24.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.266 1.711 23.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.261 2.099 22.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.738 2.321 22.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.749 1.949 23.839 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.949 -1.836 24.034 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.337 -0.334 24.905 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.722 -0.557 24.191 1.00 0.00 H new ATOM 20 N SER A 2 15.472 4.991 22.130 1.00 0.00 N ATOM 21 CA SER A 2 16.043 5.872 21.090 1.00 0.00 C ATOM 22 C SER A 2 15.949 5.334 19.652 1.00 0.00 C ATOM 23 O SER A 2 16.143 6.084 18.695 1.00 0.00 O ATOM 24 CB SER A 2 17.506 6.197 21.402 1.00 0.00 C ATOM 25 OG SER A 2 18.333 5.057 21.223 1.00 0.00 O ATOM 0 H SER A 2 16.164 4.666 22.805 1.00 0.00 H new ATOM 0 HA SER A 2 15.423 6.768 21.123 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.849 7.004 20.754 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.591 6.554 22.428 1.00 0.00 H new ATOM 0 HG SER A 2 19.262 5.292 21.427 1.00 0.00 H new ATOM 31 N SER A 3 15.594 4.064 19.458 1.00 0.00 N ATOM 32 CA SER A 3 15.278 3.503 18.142 1.00 0.00 C ATOM 33 C SER A 3 14.162 4.276 17.432 1.00 0.00 C ATOM 34 O SER A 3 14.318 4.676 16.278 1.00 0.00 O ATOM 35 CB SER A 3 14.834 2.053 18.294 1.00 0.00 C ATOM 36 OG SER A 3 13.879 1.909 19.332 1.00 0.00 O ATOM 0 H SER A 3 15.517 3.388 20.217 1.00 0.00 H new ATOM 0 HA SER A 3 16.184 3.575 17.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.408 1.701 17.354 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.700 1.426 18.505 1.00 0.00 H new ATOM 0 HG SER A 3 13.613 0.969 19.403 1.00 0.00 H new ATOM 42 N LYS A 4 13.071 4.582 18.144 1.00 0.00 N ATOM 43 CA LYS A 4 11.958 5.424 17.666 1.00 0.00 C ATOM 44 C LYS A 4 12.412 6.829 17.244 1.00 0.00 C ATOM 45 O LYS A 4 11.768 7.491 16.431 1.00 0.00 O ATOM 46 CB LYS A 4 10.913 5.478 18.796 1.00 0.00 C ATOM 47 CG LYS A 4 9.609 6.189 18.406 1.00 0.00 C ATOM 48 CD LYS A 4 9.502 7.629 18.894 1.00 0.00 C ATOM 49 CE LYS A 4 9.407 7.737 20.420 1.00 0.00 C ATOM 50 NZ LYS A 4 9.348 9.153 20.830 1.00 0.00 N ATOM 0 H LYS A 4 12.930 4.243 19.096 1.00 0.00 H new ATOM 0 HA LYS A 4 11.530 4.987 16.764 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.680 4.461 19.111 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.349 5.986 19.656 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.516 6.179 17.320 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.768 5.621 18.803 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.371 8.190 18.549 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.624 8.094 18.447 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.520 7.211 20.774 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.269 7.254 20.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.438 9.219 21.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.126 9.677 20.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.439 9.562 20.534 1.00 0.00 H new ATOM 64 N GLU A 5 13.542 7.277 17.779 1.00 0.00 N ATOM 65 CA GLU A 5 14.123 8.590 17.517 1.00 0.00 C ATOM 66 C GLU A 5 15.143 8.574 16.359 1.00 0.00 C ATOM 67 O GLU A 5 15.629 9.633 15.954 1.00 0.00 O ATOM 68 CB GLU A 5 14.729 9.128 18.820 1.00 0.00 C ATOM 69 CG GLU A 5 13.693 9.348 19.935 1.00 0.00 C ATOM 70 CD GLU A 5 12.735 10.516 19.667 1.00 0.00 C ATOM 71 OE1 GLU A 5 13.174 11.685 19.548 1.00 0.00 O ATOM 72 OE2 GLU A 5 11.513 10.273 19.563 1.00 0.00 O ATOM 0 H GLU A 5 14.097 6.719 18.428 1.00 0.00 H new ATOM 0 HA GLU A 5 13.333 9.262 17.183 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.488 8.430 19.173 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.234 10.071 18.614 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.111 8.435 20.063 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.216 9.527 20.874 1.00 0.00 H new ATOM 79 N THR A 6 15.514 7.389 15.844 1.00 0.00 N ATOM 80 CA THR A 6 16.651 7.214 14.912 1.00 0.00 C ATOM 81 C THR A 6 16.391 6.274 13.717 1.00 0.00 C ATOM 82 O THR A 6 17.268 6.132 12.863 1.00 0.00 O ATOM 83 CB THR A 6 17.931 6.778 15.670 1.00 0.00 C ATOM 84 OG1 THR A 6 17.954 7.214 17.017 1.00 0.00 O ATOM 85 CG2 THR A 6 19.188 7.403 15.064 1.00 0.00 C ATOM 0 H THR A 6 15.032 6.517 16.062 1.00 0.00 H new ATOM 0 HA THR A 6 16.793 8.201 14.473 1.00 0.00 H new ATOM 0 HB THR A 6 17.917 5.690 15.598 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.272 6.731 17.529 1.00 0.00 H new ATOM 0 HG21 THR A 6 20.064 7.073 15.623 1.00 0.00 H new ATOM 0 HG22 THR A 6 19.283 7.092 14.024 1.00 0.00 H new ATOM 0 HG23 THR A 6 19.114 8.489 15.113 1.00 0.00 H new ATOM 93 N ILE A 7 15.221 5.626 13.612 1.00 0.00 N ATOM 94 CA ILE A 7 14.892 4.591 12.630 1.00 0.00 C ATOM 95 C ILE A 7 15.181 5.049 11.177 1.00 0.00 C ATOM 96 O ILE A 7 14.689 6.101 10.760 1.00 0.00 O ATOM 97 CB ILE A 7 13.435 4.139 12.920 1.00 0.00 C ATOM 98 CG1 ILE A 7 13.139 2.708 12.448 1.00 0.00 C ATOM 99 CG2 ILE A 7 12.350 5.149 12.502 1.00 0.00 C ATOM 100 CD1 ILE A 7 12.926 2.549 10.946 1.00 0.00 C ATOM 0 H ILE A 7 14.443 5.822 14.242 1.00 0.00 H new ATOM 0 HA ILE A 7 15.539 3.719 12.728 1.00 0.00 H new ATOM 0 HB ILE A 7 13.377 4.118 14.008 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.965 2.065 12.751 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.249 2.349 12.965 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.366 4.747 12.743 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.500 6.087 13.037 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.415 5.329 11.429 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.724 1.503 10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.080 3.160 10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.822 2.871 10.415 1.00 0.00 H new ATOM 112 N PRO A 8 15.989 4.307 10.389 1.00 0.00 N ATOM 113 CA PRO A 8 16.397 4.713 9.041 1.00 0.00 C ATOM 114 C PRO A 8 15.233 4.865 8.057 1.00 0.00 C ATOM 115 O PRO A 8 14.369 3.988 7.961 1.00 0.00 O ATOM 116 CB PRO A 8 17.367 3.642 8.547 1.00 0.00 C ATOM 117 CG PRO A 8 17.883 2.994 9.827 1.00 0.00 C ATOM 118 CD PRO A 8 16.707 3.102 10.780 1.00 0.00 C ATOM 0 HA PRO A 8 16.851 5.703 9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.867 2.916 7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.179 4.077 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.172 1.956 9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.761 3.512 10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.065 2.224 10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 8 17.046 3.167 11.814 1.00 0.00 H new ATOM 126 N MET A 9 15.255 5.908 7.223 1.00 0.00 N ATOM 127 CA MET A 9 14.310 6.014 6.108 1.00 0.00 C ATOM 128 C MET A 9 14.477 4.861 5.106 1.00 0.00 C ATOM 129 O MET A 9 13.468 4.383 4.597 1.00 0.00 O ATOM 130 CB MET A 9 14.402 7.389 5.432 1.00 0.00 C ATOM 131 CG MET A 9 13.323 7.515 4.347 1.00 0.00 C ATOM 132 SD MET A 9 13.150 9.157 3.612 1.00 0.00 S ATOM 133 CE MET A 9 12.199 10.003 4.901 1.00 0.00 C ATOM 0 H MET A 9 15.911 6.685 7.297 1.00 0.00 H new ATOM 0 HA MET A 9 13.304 5.924 6.518 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.277 8.177 6.174 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.390 7.521 4.991 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.545 6.802 3.553 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.364 7.225 4.777 1.00 0.00 H new ATOM 0 HE1 MET A 9 12.010 11.032 4.597 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.250 9.488 5.050 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.765 9.998 5.833 1.00 0.00 H new ATOM 143 N HIS A 10 15.687 4.326 4.891 1.00 0.00 N ATOM 144 CA HIS A 10 15.861 3.150 4.024 1.00 0.00 C ATOM 145 C HIS A 10 15.092 1.911 4.534 1.00 0.00 C ATOM 146 O HIS A 10 14.511 1.173 3.734 1.00 0.00 O ATOM 147 CB HIS A 10 17.353 2.867 3.771 1.00 0.00 C ATOM 148 CG HIS A 10 18.176 2.348 4.929 1.00 0.00 C ATOM 149 ND1 HIS A 10 18.221 1.047 5.383 1.00 0.00 N ATOM 150 CD2 HIS A 10 19.169 3.031 5.583 1.00 0.00 C ATOM 151 CE1 HIS A 10 19.200 0.956 6.300 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.813 2.144 6.461 1.00 0.00 N ATOM 0 H HIS A 10 16.551 4.683 5.300 1.00 0.00 H new ATOM 0 HA HIS A 10 15.410 3.388 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.424 2.144 2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.814 3.789 3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.414 4.074 5.446 1.00 0.00 H new ATOM 0 HE1 HIS A 10 19.459 0.054 6.834 1.00 0.00 H new ATOM 0 HE2 HIS A 10 20.586 2.356 7.091 1.00 0.00 H new ATOM 160 N GLN A 11 14.994 1.738 5.860 1.00 0.00 N ATOM 161 CA GLN A 11 14.193 0.689 6.503 1.00 0.00 C ATOM 162 C GLN A 11 12.689 0.962 6.370 1.00 0.00 C ATOM 163 O GLN A 11 11.927 0.056 6.026 1.00 0.00 O ATOM 164 CB GLN A 11 14.601 0.591 7.989 1.00 0.00 C ATOM 165 CG GLN A 11 13.953 -0.570 8.757 1.00 0.00 C ATOM 166 CD GLN A 11 14.390 -1.951 8.278 1.00 0.00 C ATOM 167 OE1 GLN A 11 13.728 -2.584 7.467 1.00 0.00 O ATOM 168 NE2 GLN A 11 15.502 -2.467 8.749 1.00 0.00 N ATOM 0 H GLN A 11 15.480 2.336 6.528 1.00 0.00 H new ATOM 0 HA GLN A 11 14.388 -0.259 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.685 0.488 8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.342 1.526 8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 11 14.193 -0.471 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.870 -0.492 8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.060 -1.946 9.425 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.808 -3.389 8.438 1.00 0.00 H new ATOM 177 N ARG A 12 12.245 2.211 6.585 1.00 0.00 N ATOM 178 CA ARG A 12 10.841 2.605 6.357 1.00 0.00 C ATOM 179 C ARG A 12 10.436 2.352 4.909 1.00 0.00 C ATOM 180 O ARG A 12 9.476 1.623 4.686 1.00 0.00 O ATOM 181 CB ARG A 12 10.603 4.077 6.757 1.00 0.00 C ATOM 182 CG ARG A 12 10.794 4.326 8.264 1.00 0.00 C ATOM 183 CD ARG A 12 10.217 5.673 8.729 1.00 0.00 C ATOM 184 NE ARG A 12 11.095 6.836 8.471 1.00 0.00 N ATOM 185 CZ ARG A 12 10.707 8.044 8.090 1.00 0.00 C ATOM 186 NH1 ARG A 12 9.517 8.326 7.652 1.00 0.00 N ATOM 187 NH2 ARG A 12 11.545 9.031 8.162 1.00 0.00 N ATOM 0 H ARG A 12 12.840 2.970 6.918 1.00 0.00 H new ATOM 0 HA ARG A 12 10.209 1.986 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.288 4.715 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.592 4.367 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.317 3.521 8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.858 4.292 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.262 5.837 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.013 5.617 9.798 1.00 0.00 H new ATOM 0 HE ARG A 12 12.097 6.694 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.811 7.593 7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.288 9.281 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.491 8.873 8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.258 9.966 7.872 1.00 0.00 H new ATOM 201 N SER A 13 11.219 2.817 3.937 1.00 0.00 N ATOM 202 CA SER A 13 10.956 2.599 2.510 1.00 0.00 C ATOM 203 C SER A 13 10.892 1.114 2.132 1.00 0.00 C ATOM 204 O SER A 13 10.049 0.754 1.309 1.00 0.00 O ATOM 205 CB SER A 13 12.013 3.306 1.654 1.00 0.00 C ATOM 206 OG SER A 13 11.808 4.707 1.672 1.00 0.00 O ATOM 0 H SER A 13 12.063 3.361 4.117 1.00 0.00 H new ATOM 0 HA SER A 13 9.973 3.025 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.009 3.073 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.965 2.938 0.629 1.00 0.00 H new ATOM 0 HG SER A 13 12.491 5.145 1.123 1.00 0.00 H new ATOM 212 N GLN A 14 11.687 0.231 2.758 1.00 0.00 N ATOM 213 CA GLN A 14 11.620 -1.215 2.492 1.00 0.00 C ATOM 214 C GLN A 14 10.328 -1.860 3.034 1.00 0.00 C ATOM 215 O GLN A 14 9.799 -2.791 2.423 1.00 0.00 O ATOM 216 CB GLN A 14 12.887 -1.891 3.044 1.00 0.00 C ATOM 217 CG GLN A 14 13.135 -3.284 2.442 1.00 0.00 C ATOM 218 CD GLN A 14 14.513 -3.837 2.809 1.00 0.00 C ATOM 219 OE1 GLN A 14 14.939 -3.811 3.964 1.00 0.00 O ATOM 220 NE2 GLN A 14 15.271 -4.341 1.861 1.00 0.00 N ATOM 0 H GLN A 14 12.385 0.494 3.453 1.00 0.00 H new ATOM 0 HA GLN A 14 11.582 -1.366 1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.749 -1.255 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.803 -1.979 4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.365 -3.971 2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.045 -3.230 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.933 -4.370 0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 14 16.197 -4.703 2.087 1.00 0.00 H new ATOM 229 N ASN A 15 9.788 -1.336 4.143 1.00 0.00 N ATOM 230 CA ASN A 15 8.509 -1.758 4.729 1.00 0.00 C ATOM 231 C ASN A 15 7.282 -1.194 3.978 1.00 0.00 C ATOM 232 O ASN A 15 6.373 -1.942 3.623 1.00 0.00 O ATOM 233 CB ASN A 15 8.509 -1.446 6.233 1.00 0.00 C ATOM 234 CG ASN A 15 9.370 -2.426 7.014 1.00 0.00 C ATOM 235 OD1 ASN A 15 8.953 -3.529 7.347 1.00 0.00 O ATOM 236 ND2 ASN A 15 10.601 -2.092 7.314 1.00 0.00 N ATOM 0 H ASN A 15 10.240 -0.589 4.670 1.00 0.00 H new ATOM 0 HA ASN A 15 8.412 -2.837 4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.876 -0.432 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.487 -1.479 6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.199 -2.747 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.962 -1.177 7.043 1.00 0.00 H new ATOM 243 N VAL A 16 7.300 0.101 3.646 1.00 0.00 N ATOM 244 CA VAL A 16 6.362 0.781 2.723 1.00 0.00 C ATOM 245 C VAL A 16 6.301 0.054 1.380 1.00 0.00 C ATOM 246 O VAL A 16 5.223 -0.062 0.808 1.00 0.00 O ATOM 247 CB VAL A 16 6.859 2.222 2.507 1.00 0.00 C ATOM 248 CG1 VAL A 16 6.059 3.005 1.467 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.796 3.039 3.799 1.00 0.00 C ATOM 0 H VAL A 16 7.998 0.740 4.027 1.00 0.00 H new ATOM 0 HA VAL A 16 5.361 0.780 3.155 1.00 0.00 H new ATOM 0 HB VAL A 16 7.883 2.095 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.471 4.010 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.118 2.497 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.017 3.068 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.155 4.050 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.766 3.080 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.422 2.569 4.557 1.00 0.00 H new ATOM 259 N ALA A 17 7.414 -0.503 0.894 1.00 0.00 N ATOM 260 CA ALA A 17 7.435 -1.242 -0.361 1.00 0.00 C ATOM 261 C ALA A 17 6.641 -2.576 -0.320 1.00 0.00 C ATOM 262 O ALA A 17 6.227 -3.065 -1.369 1.00 0.00 O ATOM 263 CB ALA A 17 8.888 -1.430 -0.808 1.00 0.00 C ATOM 0 H ALA A 17 8.319 -0.452 1.361 1.00 0.00 H new ATOM 0 HA ALA A 17 6.906 -0.649 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.911 -1.983 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.354 -0.455 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.434 -1.986 -0.046 1.00 0.00 H new ATOM 269 N GLU A 18 6.402 -3.188 0.850 1.00 0.00 N ATOM 270 CA GLU A 18 5.507 -4.357 0.970 1.00 0.00 C ATOM 271 C GLU A 18 4.016 -3.975 0.883 1.00 0.00 C ATOM 272 O GLU A 18 3.238 -4.681 0.236 1.00 0.00 O ATOM 273 CB GLU A 18 5.797 -5.161 2.250 1.00 0.00 C ATOM 274 CG GLU A 18 7.127 -5.927 2.163 1.00 0.00 C ATOM 275 CD GLU A 18 6.999 -7.342 2.739 1.00 0.00 C ATOM 276 OE1 GLU A 18 6.630 -8.257 1.960 1.00 0.00 O ATOM 277 OE2 GLU A 18 7.230 -7.545 3.961 1.00 0.00 O ATOM 0 H GLU A 18 6.817 -2.893 1.734 1.00 0.00 H new ATOM 0 HA GLU A 18 5.721 -4.995 0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.824 -4.484 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.984 -5.866 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.448 -5.984 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.899 -5.381 2.705 1.00 0.00 H new ATOM 284 N LEU A 19 3.644 -2.827 1.463 1.00 0.00 N ATOM 285 CA LEU A 19 2.348 -2.155 1.286 1.00 0.00 C ATOM 286 C LEU A 19 2.127 -1.752 -0.184 1.00 0.00 C ATOM 287 O LEU A 19 1.073 -2.045 -0.746 1.00 0.00 O ATOM 288 CB LEU A 19 2.321 -0.964 2.250 1.00 0.00 C ATOM 289 CG LEU A 19 1.039 -0.118 2.141 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.541 0.185 3.536 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.298 1.219 1.459 1.00 0.00 C ATOM 0 H LEU A 19 4.263 -2.319 2.095 1.00 0.00 H new ATOM 0 HA LEU A 19 1.520 -2.824 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.420 -1.331 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.185 -0.328 2.055 1.00 0.00 H new ATOM 0 HG LEU A 19 0.316 -0.686 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.368 0.784 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.326 -0.748 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.305 0.738 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.368 1.785 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.032 1.784 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.679 1.046 0.453 1.00 0.00 H new ATOM 303 N LEU A 20 3.136 -1.149 -0.830 1.00 0.00 N ATOM 304 CA LEU A 20 3.137 -0.746 -2.233 1.00 0.00 C ATOM 305 C LEU A 20 2.738 -1.916 -3.147 1.00 0.00 C ATOM 306 O LEU A 20 1.822 -1.784 -3.951 1.00 0.00 O ATOM 307 CB LEU A 20 4.555 -0.222 -2.574 1.00 0.00 C ATOM 308 CG LEU A 20 4.680 0.949 -3.561 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.708 0.850 -4.725 1.00 0.00 C ATOM 310 CD2 LEU A 20 4.426 2.287 -2.876 1.00 0.00 C ATOM 0 H LEU A 20 4.012 -0.921 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 20 2.400 0.040 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.032 0.077 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.131 -1.057 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 20 5.702 0.891 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.845 1.705 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.895 -0.070 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.686 0.844 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.523 3.093 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.420 2.296 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.153 2.431 -2.077 1.00 0.00 H new ATOM 322 N THR A 21 3.356 -3.087 -2.963 1.00 0.00 N ATOM 323 CA THR A 21 3.074 -4.312 -3.733 1.00 0.00 C ATOM 324 C THR A 21 1.628 -4.806 -3.572 1.00 0.00 C ATOM 325 O THR A 21 1.037 -5.273 -4.547 1.00 0.00 O ATOM 326 CB THR A 21 4.061 -5.408 -3.298 1.00 0.00 C ATOM 327 OG1 THR A 21 5.383 -4.968 -3.508 1.00 0.00 O ATOM 328 CG2 THR A 21 3.923 -6.716 -4.068 1.00 0.00 C ATOM 0 H THR A 21 4.083 -3.217 -2.260 1.00 0.00 H new ATOM 0 HA THR A 21 3.199 -4.076 -4.790 1.00 0.00 H new ATOM 0 HB THR A 21 3.831 -5.595 -2.249 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.637 -4.344 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.655 -7.434 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.919 -7.117 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.096 -6.534 -5.129 1.00 0.00 H new ATOM 336 N VAL A 22 1.016 -4.657 -2.391 1.00 0.00 N ATOM 337 CA VAL A 22 -0.407 -4.983 -2.163 1.00 0.00 C ATOM 338 C VAL A 22 -1.332 -3.955 -2.826 1.00 0.00 C ATOM 339 O VAL A 22 -2.342 -4.351 -3.400 1.00 0.00 O ATOM 340 CB VAL A 22 -0.689 -5.128 -0.651 1.00 0.00 C ATOM 341 CG1 VAL A 22 -2.172 -5.085 -0.285 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.162 -6.464 -0.120 1.00 0.00 C ATOM 0 H VAL A 22 1.491 -4.306 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.620 -5.942 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.183 -4.272 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.284 -5.193 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.597 -4.132 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.695 -5.899 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.373 -6.541 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.651 -7.283 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.915 -6.521 -0.281 1.00 0.00 H new ATOM 352 N LEU A 23 -0.992 -2.661 -2.821 1.00 0.00 N ATOM 353 CA LEU A 23 -1.774 -1.641 -3.538 1.00 0.00 C ATOM 354 C LEU A 23 -1.664 -1.803 -5.070 1.00 0.00 C ATOM 355 O LEU A 23 -2.657 -1.691 -5.790 1.00 0.00 O ATOM 356 CB LEU A 23 -1.351 -0.228 -3.093 1.00 0.00 C ATOM 357 CG LEU A 23 -1.523 0.147 -1.617 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.150 1.616 -1.409 1.00 0.00 C ATOM 359 CD2 LEU A 23 -2.968 -0.060 -1.226 1.00 0.00 C ATOM 0 H LEU A 23 -0.179 -2.292 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.823 -1.784 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.299 -0.099 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.915 0.491 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.875 -0.478 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.274 1.878 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.112 1.773 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.798 2.246 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.102 0.204 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.606 0.572 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.239 -1.105 -1.375 1.00 0.00 H new ATOM 371 N MET A 24 -0.478 -2.156 -5.568 1.00 0.00 N ATOM 372 CA MET A 24 -0.229 -2.533 -6.967 1.00 0.00 C ATOM 373 C MET A 24 -1.045 -3.765 -7.398 1.00 0.00 C ATOM 374 O MET A 24 -1.530 -3.818 -8.532 1.00 0.00 O ATOM 375 CB MET A 24 1.282 -2.776 -7.142 1.00 0.00 C ATOM 376 CG MET A 24 2.074 -1.463 -7.179 1.00 0.00 C ATOM 377 SD MET A 24 1.682 -0.359 -8.561 1.00 0.00 S ATOM 378 CE MET A 24 2.805 1.007 -8.178 1.00 0.00 C ATOM 0 H MET A 24 0.364 -2.190 -4.994 1.00 0.00 H new ATOM 0 HA MET A 24 -0.555 -1.719 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.647 -3.397 -6.323 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.456 -3.330 -8.064 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.899 -0.926 -6.246 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.137 -1.700 -7.216 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.778 1.738 -8.986 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.495 1.483 -7.248 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.820 0.624 -8.069 1.00 0.00 H new ATOM 388 N ASP A 25 -1.280 -4.701 -6.472 1.00 0.00 N ATOM 389 CA ASP A 25 -2.191 -5.840 -6.642 1.00 0.00 C ATOM 390 C ASP A 25 -3.665 -5.392 -6.789 1.00 0.00 C ATOM 391 O ASP A 25 -4.403 -5.992 -7.569 1.00 0.00 O ATOM 392 CB ASP A 25 -2.016 -6.817 -5.457 1.00 0.00 C ATOM 393 CG ASP A 25 -1.308 -8.141 -5.773 1.00 0.00 C ATOM 394 OD1 ASP A 25 -0.546 -8.238 -6.770 1.00 0.00 O ATOM 395 OD2 ASP A 25 -1.467 -9.081 -4.959 1.00 0.00 O ATOM 0 H ASP A 25 -0.829 -4.687 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.933 -6.350 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.457 -6.308 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.002 -7.043 -5.051 1.00 0.00 H new ATOM 400 N ILE A 26 -4.103 -4.301 -6.142 1.00 0.00 N ATOM 401 CA ILE A 26 -5.460 -3.747 -6.349 1.00 0.00 C ATOM 402 C ILE A 26 -5.582 -3.194 -7.772 1.00 0.00 C ATOM 403 O ILE A 26 -6.603 -3.387 -8.433 1.00 0.00 O ATOM 404 CB ILE A 26 -5.833 -2.635 -5.332 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.440 -2.893 -3.874 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.329 -2.280 -5.430 1.00 0.00 C ATOM 407 CD1 ILE A 26 -6.065 -4.131 -3.265 1.00 0.00 C ATOM 0 H ILE A 26 -3.540 -3.781 -5.469 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.158 -4.569 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.218 -1.787 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.355 -2.982 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.723 -2.027 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.566 -1.499 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.553 -1.924 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.928 -3.165 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.732 -4.236 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.151 -4.040 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.762 -5.009 -3.835 1.00 0.00 H new ATOM 419 N ASN A 27 -4.521 -2.551 -8.278 1.00 0.00 N ATOM 420 CA ASN A 27 -4.514 -2.006 -9.639 1.00 0.00 C ATOM 421 C ASN A 27 -4.572 -3.110 -10.714 1.00 0.00 C ATOM 422 O ASN A 27 -5.140 -2.887 -11.787 1.00 0.00 O ATOM 423 CB ASN A 27 -3.321 -1.053 -9.833 1.00 0.00 C ATOM 424 CG ASN A 27 -3.615 -0.025 -10.917 1.00 0.00 C ATOM 425 OD1 ASN A 27 -4.582 0.715 -10.834 1.00 0.00 O ATOM 426 ND2 ASN A 27 -2.825 0.056 -11.958 1.00 0.00 N ATOM 0 H ASN A 27 -3.655 -2.396 -7.762 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.426 -1.423 -9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.101 -0.544 -8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.433 -1.626 -10.101 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.019 0.735 -12.694 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.015 -0.560 -12.033 1.00 0.00 H new ATOM 433 N LYS A 28 -4.045 -4.308 -10.418 1.00 0.00 N ATOM 434 CA LYS A 28 -4.251 -5.540 -11.200 1.00 0.00 C ATOM 435 C LYS A 28 -5.688 -6.062 -11.079 1.00 0.00 C ATOM 436 O LYS A 28 -6.361 -6.187 -12.103 1.00 0.00 O ATOM 437 CB LYS A 28 -3.231 -6.603 -10.743 1.00 0.00 C ATOM 438 CG LYS A 28 -1.854 -6.457 -11.416 1.00 0.00 C ATOM 439 CD LYS A 28 -1.710 -7.258 -12.721 1.00 0.00 C ATOM 440 CE LYS A 28 -1.761 -8.770 -12.460 1.00 0.00 C ATOM 441 NZ LYS A 28 -1.346 -9.564 -13.636 1.00 0.00 N ATOM 0 H LYS A 28 -3.446 -4.452 -9.605 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.093 -5.315 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.108 -6.537 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.629 -7.595 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.673 -5.403 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.083 -6.779 -10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.507 -6.979 -13.410 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.767 -7.002 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.114 -9.011 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.775 -9.052 -12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.398 -10.577 -13.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.978 -9.357 -14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.369 -9.318 -13.894 1.00 0.00 H new ATOM 455 N ILE A 29 -6.183 -6.299 -9.860 1.00 0.00 N ATOM 456 CA ILE A 29 -7.487 -6.944 -9.584 1.00 0.00 C ATOM 457 C ILE A 29 -8.684 -6.104 -10.070 1.00 0.00 C ATOM 458 O ILE A 29 -9.657 -6.663 -10.583 1.00 0.00 O ATOM 459 CB ILE A 29 -7.581 -7.287 -8.072 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.575 -8.409 -7.713 1.00 0.00 C ATOM 461 CG2 ILE A 29 -9.002 -7.721 -7.650 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.317 -8.552 -6.205 1.00 0.00 C ATOM 0 H ILE A 29 -5.680 -6.044 -9.010 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.540 -7.869 -10.158 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.337 -6.375 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.949 -9.357 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.629 -8.211 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.011 -7.949 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.705 -6.913 -7.854 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.294 -8.607 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.603 -9.357 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.912 -7.618 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.253 -8.782 -5.696 1.00 0.00 H new ATOM 474 N ASN A 30 -8.617 -4.770 -9.956 1.00 0.00 N ATOM 475 CA ASN A 30 -9.637 -3.844 -10.472 1.00 0.00 C ATOM 476 C ASN A 30 -9.392 -3.413 -11.937 1.00 0.00 C ATOM 477 O ASN A 30 -10.242 -2.749 -12.530 1.00 0.00 O ATOM 478 CB ASN A 30 -9.732 -2.634 -9.521 1.00 0.00 C ATOM 479 CG ASN A 30 -11.014 -1.840 -9.728 1.00 0.00 C ATOM 480 OD1 ASN A 30 -12.116 -2.358 -9.575 1.00 0.00 O ATOM 481 ND2 ASN A 30 -10.942 -0.566 -10.027 1.00 0.00 N ATOM 0 H ASN A 30 -7.840 -4.296 -9.495 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.592 -4.369 -10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.684 -2.981 -8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.873 -1.982 -9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.796 -0.017 -10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.032 -0.123 -10.157 1.00 0.00 H new ATOM 488 N GLY A 31 -8.234 -3.765 -12.510 1.00 0.00 N ATOM 489 CA GLY A 31 -7.836 -3.445 -13.885 1.00 0.00 C ATOM 490 C GLY A 31 -7.749 -1.961 -14.195 1.00 0.00 C ATOM 491 O GLY A 31 -8.328 -1.499 -15.178 1.00 0.00 O ATOM 0 H GLY A 31 -7.524 -4.300 -12.010 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.866 -3.900 -14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.549 -3.904 -14.570 1.00 0.00 H new ATOM 495 N GLY A 32 -7.012 -1.243 -13.348 1.00 0.00 N ATOM 496 CA GLY A 32 -6.672 0.160 -13.539 1.00 0.00 C ATOM 497 C GLY A 32 -5.466 0.409 -14.457 1.00 0.00 C ATOM 498 O GLY A 32 -4.959 -0.478 -15.148 1.00 0.00 O ATOM 0 H GLY A 32 -6.627 -1.635 -12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.538 0.677 -13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.469 0.606 -12.566 1.00 0.00 H new ATOM 502 N ASP A 33 -5.028 1.658 -14.469 1.00 0.00 N ATOM 503 CA ASP A 33 -4.016 2.252 -15.362 1.00 0.00 C ATOM 504 C ASP A 33 -2.663 2.542 -14.674 1.00 0.00 C ATOM 505 O ASP A 33 -2.574 2.616 -13.449 1.00 0.00 O ATOM 506 CB ASP A 33 -4.620 3.538 -15.965 1.00 0.00 C ATOM 507 CG ASP A 33 -3.679 4.250 -16.937 1.00 0.00 C ATOM 508 OD1 ASP A 33 -3.415 3.706 -18.035 1.00 0.00 O ATOM 509 OD2 ASP A 33 -3.140 5.326 -16.589 1.00 0.00 O ATOM 0 H ASP A 33 -5.392 2.345 -13.808 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.778 1.525 -16.139 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.545 3.288 -16.484 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.882 4.221 -15.157 1.00 0.00 H new ATOM 514 N SER A 34 -1.611 2.769 -15.470 1.00 0.00 N ATOM 515 CA SER A 34 -0.282 3.232 -15.039 1.00 0.00 C ATOM 516 C SER A 34 -0.310 4.485 -14.151 1.00 0.00 C ATOM 517 O SER A 34 0.413 4.557 -13.157 1.00 0.00 O ATOM 518 CB SER A 34 0.559 3.513 -16.290 1.00 0.00 C ATOM 519 OG SER A 34 1.916 3.759 -15.973 1.00 0.00 O ATOM 0 H SER A 34 -1.663 2.629 -16.479 1.00 0.00 H new ATOM 0 HA SER A 34 0.149 2.441 -14.426 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.494 2.663 -16.969 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.148 4.374 -16.817 1.00 0.00 H new ATOM 0 HG SER A 34 2.418 3.932 -16.797 1.00 0.00 H new ATOM 525 N THR A 35 -1.184 5.450 -14.448 1.00 0.00 N ATOM 526 CA THR A 35 -1.393 6.659 -13.638 1.00 0.00 C ATOM 527 C THR A 35 -2.109 6.363 -12.320 1.00 0.00 C ATOM 528 O THR A 35 -1.824 6.985 -11.299 1.00 0.00 O ATOM 529 CB THR A 35 -2.186 7.705 -14.433 1.00 0.00 C ATOM 530 OG1 THR A 35 -3.465 7.253 -14.843 1.00 0.00 O ATOM 531 CG2 THR A 35 -1.435 8.186 -15.670 1.00 0.00 C ATOM 0 H THR A 35 -1.780 5.415 -15.275 1.00 0.00 H new ATOM 0 HA THR A 35 -0.405 7.051 -13.396 1.00 0.00 H new ATOM 0 HB THR A 35 -2.314 8.530 -13.732 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.389 6.795 -15.706 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.038 8.925 -16.198 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.490 8.638 -15.369 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.239 7.340 -16.329 1.00 0.00 H new ATOM 539 N THR A 36 -2.984 5.360 -12.297 1.00 0.00 N ATOM 540 CA THR A 36 -3.628 4.861 -11.081 1.00 0.00 C ATOM 541 C THR A 36 -2.628 4.091 -10.208 1.00 0.00 C ATOM 542 O THR A 36 -2.669 4.201 -8.986 1.00 0.00 O ATOM 543 CB THR A 36 -4.859 4.033 -11.469 1.00 0.00 C ATOM 544 OG1 THR A 36 -5.618 4.774 -12.406 1.00 0.00 O ATOM 545 CG2 THR A 36 -5.768 3.771 -10.281 1.00 0.00 C ATOM 0 H THR A 36 -3.272 4.861 -13.139 1.00 0.00 H new ATOM 0 HA THR A 36 -3.972 5.695 -10.468 1.00 0.00 H new ATOM 0 HB THR A 36 -4.505 3.082 -11.867 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.409 4.258 -12.667 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.626 3.181 -10.603 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.218 3.223 -9.516 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.113 4.720 -9.871 1.00 0.00 H new ATOM 553 N ALA A 37 -1.636 3.427 -10.811 1.00 0.00 N ATOM 554 CA ALA A 37 -0.476 2.867 -10.115 1.00 0.00 C ATOM 555 C ALA A 37 0.456 3.964 -9.549 1.00 0.00 C ATOM 556 O ALA A 37 0.996 3.807 -8.453 1.00 0.00 O ATOM 557 CB ALA A 37 0.239 1.900 -11.068 1.00 0.00 C ATOM 0 H ALA A 37 -1.618 3.261 -11.817 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.808 2.312 -9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.107 1.472 -10.568 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.444 1.101 -11.356 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.563 2.439 -11.958 1.00 0.00 H new ATOM 563 N GLU A 38 0.578 5.122 -10.207 1.00 0.00 N ATOM 564 CA GLU A 38 1.208 6.305 -9.597 1.00 0.00 C ATOM 565 C GLU A 38 0.414 6.833 -8.388 1.00 0.00 C ATOM 566 O GLU A 38 1.018 7.124 -7.354 1.00 0.00 O ATOM 567 CB GLU A 38 1.471 7.407 -10.624 1.00 0.00 C ATOM 568 CG GLU A 38 2.483 7.064 -11.724 1.00 0.00 C ATOM 569 CD GLU A 38 3.861 6.650 -11.197 1.00 0.00 C ATOM 570 OE1 GLU A 38 4.490 7.401 -10.413 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.364 5.575 -11.599 1.00 0.00 O ATOM 0 H GLU A 38 0.250 5.268 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 38 2.177 5.978 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.525 7.671 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.823 8.294 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.081 6.255 -12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.600 7.928 -12.378 1.00 0.00 H new ATOM 578 N LYS A 39 -0.928 6.865 -8.440 1.00 0.00 N ATOM 579 CA LYS A 39 -1.771 7.120 -7.259 1.00 0.00 C ATOM 580 C LYS A 39 -1.553 6.090 -6.133 1.00 0.00 C ATOM 581 O LYS A 39 -1.511 6.486 -4.972 1.00 0.00 O ATOM 582 CB LYS A 39 -3.246 7.215 -7.674 1.00 0.00 C ATOM 583 CG LYS A 39 -3.743 8.643 -7.953 1.00 0.00 C ATOM 584 CD LYS A 39 -3.112 9.385 -9.142 1.00 0.00 C ATOM 585 CE LYS A 39 -3.735 10.789 -9.225 1.00 0.00 C ATOM 586 NZ LYS A 39 -3.157 11.610 -10.317 1.00 0.00 N ATOM 0 H LYS A 39 -1.458 6.715 -9.299 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.467 8.079 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.398 6.611 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.860 6.778 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.820 8.601 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.578 9.240 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.032 9.456 -9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.288 8.837 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.810 10.696 -9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.590 11.303 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.613 12.545 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.135 11.725 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.317 11.137 -11.229 1.00 0.00 H new ATOM 600 N MET A 40 -1.323 4.804 -6.432 1.00 0.00 N ATOM 601 CA MET A 40 -0.970 3.806 -5.399 1.00 0.00 C ATOM 602 C MET A 40 0.346 4.150 -4.680 1.00 0.00 C ATOM 603 O MET A 40 0.414 4.065 -3.451 1.00 0.00 O ATOM 604 CB MET A 40 -0.866 2.381 -5.972 1.00 0.00 C ATOM 605 CG MET A 40 -2.150 1.826 -6.593 1.00 0.00 C ATOM 606 SD MET A 40 -3.637 1.854 -5.553 1.00 0.00 S ATOM 607 CE MET A 40 -4.764 0.977 -6.669 1.00 0.00 C ATOM 0 H MET A 40 -1.374 4.426 -7.378 1.00 0.00 H new ATOM 0 HA MET A 40 -1.787 3.839 -4.678 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.082 2.369 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.549 1.709 -5.174 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.360 2.390 -7.502 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.964 0.795 -6.894 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.740 0.876 -6.195 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.868 1.539 -7.597 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.363 -0.013 -6.887 1.00 0.00 H new ATOM 617 N LYS A 41 1.372 4.603 -5.417 1.00 0.00 N ATOM 618 CA LYS A 41 2.631 5.100 -4.823 1.00 0.00 C ATOM 619 C LYS A 41 2.386 6.298 -3.888 1.00 0.00 C ATOM 620 O LYS A 41 2.890 6.328 -2.766 1.00 0.00 O ATOM 621 CB LYS A 41 3.653 5.461 -5.898 1.00 0.00 C ATOM 622 CG LYS A 41 4.136 4.289 -6.767 1.00 0.00 C ATOM 623 CD LYS A 41 4.944 4.810 -7.962 1.00 0.00 C ATOM 624 CE LYS A 41 5.423 3.671 -8.861 1.00 0.00 C ATOM 625 NZ LYS A 41 6.193 4.188 -10.015 1.00 0.00 N ATOM 0 H LYS A 41 1.357 4.637 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 41 3.041 4.286 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.218 6.219 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.519 5.914 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.750 3.614 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.281 3.713 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.331 5.499 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.804 5.375 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.044 2.985 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.565 3.101 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.447 3.400 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.614 4.875 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.059 4.653 -9.674 1.00 0.00 H new ATOM 639 N VAL A 42 1.554 7.254 -4.320 1.00 0.00 N ATOM 640 CA VAL A 42 1.154 8.437 -3.528 1.00 0.00 C ATOM 641 C VAL A 42 0.373 8.050 -2.262 1.00 0.00 C ATOM 642 O VAL A 42 0.585 8.660 -1.213 1.00 0.00 O ATOM 643 CB VAL A 42 0.343 9.424 -4.402 1.00 0.00 C ATOM 644 CG1 VAL A 42 -0.244 10.603 -3.614 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.219 10.030 -5.507 1.00 0.00 C ATOM 0 H VAL A 42 1.129 7.232 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 42 2.066 8.933 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.470 8.824 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.799 11.253 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.914 10.226 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.564 11.168 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.624 10.720 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.053 10.568 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.603 9.234 -6.145 1.00 0.00 H new ATOM 655 N HIS A 43 -0.465 7.009 -2.312 1.00 0.00 N ATOM 656 CA HIS A 43 -1.265 6.535 -1.182 1.00 0.00 C ATOM 657 C HIS A 43 -0.350 5.927 -0.119 1.00 0.00 C ATOM 658 O HIS A 43 -0.467 6.268 1.059 1.00 0.00 O ATOM 659 CB HIS A 43 -2.305 5.527 -1.698 1.00 0.00 C ATOM 660 CG HIS A 43 -3.251 4.954 -0.664 1.00 0.00 C ATOM 661 ND1 HIS A 43 -3.438 5.379 0.635 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.117 3.911 -0.864 1.00 0.00 C ATOM 663 CE1 HIS A 43 -4.386 4.612 1.195 1.00 0.00 C ATOM 664 NE2 HIS A 43 -4.835 3.695 0.320 1.00 0.00 N ATOM 0 H HIS A 43 -0.608 6.461 -3.160 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.797 7.363 -0.714 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.898 6.013 -2.473 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.775 4.701 -2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.941 6.144 1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.228 3.350 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.740 4.717 2.210 1.00 0.00 H new ATOM 672 N ALA A 44 0.632 5.119 -0.536 1.00 0.00 N ATOM 673 CA ALA A 44 1.637 4.573 0.368 1.00 0.00 C ATOM 674 C ALA A 44 2.476 5.679 1.034 1.00 0.00 C ATOM 675 O ALA A 44 2.624 5.688 2.253 1.00 0.00 O ATOM 676 CB ALA A 44 2.542 3.606 -0.396 1.00 0.00 C ATOM 0 H ALA A 44 0.748 4.829 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 44 1.118 4.039 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.293 3.199 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.942 2.793 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.037 4.136 -1.210 1.00 0.00 H new ATOM 682 N LYS A 45 2.981 6.647 0.255 1.00 0.00 N ATOM 683 CA LYS A 45 3.806 7.766 0.755 1.00 0.00 C ATOM 684 C LYS A 45 3.026 8.791 1.590 1.00 0.00 C ATOM 685 O LYS A 45 3.627 9.489 2.406 1.00 0.00 O ATOM 686 CB LYS A 45 4.565 8.423 -0.407 1.00 0.00 C ATOM 687 CG LYS A 45 5.652 7.490 -0.969 1.00 0.00 C ATOM 688 CD LYS A 45 6.403 8.181 -2.112 1.00 0.00 C ATOM 689 CE LYS A 45 7.402 7.255 -2.813 1.00 0.00 C ATOM 690 NZ LYS A 45 8.584 6.920 -1.982 1.00 0.00 N ATOM 0 H LYS A 45 2.828 6.679 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 45 4.528 7.339 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.864 8.685 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.022 9.352 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.351 7.216 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.199 6.566 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.683 8.550 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.933 9.049 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.894 6.333 -3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.739 7.729 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.217 6.292 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.092 7.793 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.273 6.440 -1.113 1.00 0.00 H new ATOM 704 N SER A 46 1.709 8.902 1.411 1.00 0.00 N ATOM 705 CA SER A 46 0.833 9.650 2.324 1.00 0.00 C ATOM 706 C SER A 46 0.566 8.870 3.617 1.00 0.00 C ATOM 707 O SER A 46 0.651 9.465 4.694 1.00 0.00 O ATOM 708 CB SER A 46 -0.477 10.031 1.626 1.00 0.00 C ATOM 709 OG SER A 46 -1.229 10.917 2.443 1.00 0.00 O ATOM 0 H SER A 46 1.215 8.476 0.627 1.00 0.00 H new ATOM 0 HA SER A 46 1.350 10.568 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.263 10.503 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.060 9.134 1.417 1.00 0.00 H new ATOM 0 HG SER A 46 -2.063 11.155 1.986 1.00 0.00 H new ATOM 715 N PHE A 47 0.328 7.550 3.538 1.00 0.00 N ATOM 716 CA PHE A 47 0.185 6.678 4.711 1.00 0.00 C ATOM 717 C PHE A 47 1.440 6.687 5.591 1.00 0.00 C ATOM 718 O PHE A 47 1.334 6.848 6.803 1.00 0.00 O ATOM 719 CB PHE A 47 -0.140 5.239 4.297 1.00 0.00 C ATOM 720 CG PHE A 47 -0.353 4.328 5.496 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.512 4.459 6.284 1.00 0.00 C ATOM 722 CD2 PHE A 47 0.653 3.421 5.887 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.653 3.711 7.467 1.00 0.00 C ATOM 724 CE2 PHE A 47 0.508 2.668 7.066 1.00 0.00 C ATOM 725 CZ PHE A 47 -0.640 2.822 7.863 1.00 0.00 C ATOM 0 H PHE A 47 0.229 7.057 2.651 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.645 7.078 5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.036 5.235 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.672 4.847 3.685 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.296 5.136 5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.538 3.304 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.541 3.820 8.072 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.279 1.971 7.359 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.743 2.258 8.778 1.00 0.00 H new ATOM 735 N GLU A 48 2.621 6.576 4.976 1.00 0.00 N ATOM 736 CA GLU A 48 3.936 6.592 5.619 1.00 0.00 C ATOM 737 C GLU A 48 4.107 7.830 6.507 1.00 0.00 C ATOM 738 O GLU A 48 4.276 7.748 7.724 1.00 0.00 O ATOM 739 CB GLU A 48 4.949 6.634 4.452 1.00 0.00 C ATOM 740 CG GLU A 48 6.370 6.272 4.835 1.00 0.00 C ATOM 741 CD GLU A 48 7.035 7.196 5.857 1.00 0.00 C ATOM 742 OE1 GLU A 48 7.248 8.390 5.530 1.00 0.00 O ATOM 743 OE2 GLU A 48 7.374 6.708 6.965 1.00 0.00 O ATOM 0 H GLU A 48 2.688 6.467 3.964 1.00 0.00 H new ATOM 0 HA GLU A 48 4.074 5.726 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.612 5.952 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.947 7.636 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.373 5.257 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.979 6.261 3.931 1.00 0.00 H new ATOM 750 N ALA A 49 3.907 8.981 5.877 1.00 0.00 N ATOM 751 CA ALA A 49 4.000 10.304 6.485 1.00 0.00 C ATOM 752 C ALA A 49 2.951 10.531 7.593 1.00 0.00 C ATOM 753 O ALA A 49 3.232 11.203 8.587 1.00 0.00 O ATOM 754 CB ALA A 49 3.859 11.328 5.351 1.00 0.00 C ATOM 0 H ALA A 49 3.665 9.020 4.887 1.00 0.00 H new ATOM 0 HA ALA A 49 4.961 10.410 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.923 12.336 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.659 11.180 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.895 11.196 4.860 1.00 0.00 H new ATOM 760 N ALA A 50 1.755 9.955 7.447 1.00 0.00 N ATOM 761 CA ALA A 50 0.661 10.069 8.415 1.00 0.00 C ATOM 762 C ALA A 50 0.810 9.086 9.589 1.00 0.00 C ATOM 763 O ALA A 50 0.368 9.380 10.701 1.00 0.00 O ATOM 764 CB ALA A 50 -0.663 9.878 7.673 1.00 0.00 C ATOM 0 H ALA A 50 1.515 9.385 6.636 1.00 0.00 H new ATOM 0 HA ALA A 50 0.687 11.061 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.490 9.960 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.764 10.645 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.680 8.893 7.206 1.00 0.00 H new ATOM 770 N LEU A 51 1.488 7.954 9.383 1.00 0.00 N ATOM 771 CA LEU A 51 1.914 7.053 10.450 1.00 0.00 C ATOM 772 C LEU A 51 3.103 7.640 11.228 1.00 0.00 C ATOM 773 O LEU A 51 3.157 7.511 12.450 1.00 0.00 O ATOM 774 CB LEU A 51 2.233 5.676 9.841 1.00 0.00 C ATOM 775 CG LEU A 51 2.616 4.625 10.896 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.479 4.337 11.872 1.00 0.00 C ATOM 777 CD2 LEU A 51 3.007 3.319 10.220 1.00 0.00 C ATOM 0 H LEU A 51 1.760 7.635 8.453 1.00 0.00 H new ATOM 0 HA LEU A 51 1.109 6.931 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.366 5.323 9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.051 5.781 9.128 1.00 0.00 H new ATOM 0 HG LEU A 51 3.455 5.039 11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.802 3.589 12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.207 5.254 12.395 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.615 3.962 11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.276 2.583 10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.166 2.946 9.635 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.859 3.491 9.562 1.00 0.00 H new ATOM 789 N PHE A 52 4.015 8.345 10.552 1.00 0.00 N ATOM 790 CA PHE A 52 5.128 9.057 11.189 1.00 0.00 C ATOM 791 C PHE A 52 4.646 10.120 12.198 1.00 0.00 C ATOM 792 O PHE A 52 5.301 10.353 13.207 1.00 0.00 O ATOM 793 CB PHE A 52 6.073 9.629 10.122 1.00 0.00 C ATOM 794 CG PHE A 52 7.489 9.864 10.622 1.00 0.00 C ATOM 795 CD1 PHE A 52 8.363 8.770 10.791 1.00 0.00 C ATOM 796 CD2 PHE A 52 7.946 11.165 10.907 1.00 0.00 C ATOM 797 CE1 PHE A 52 9.685 8.977 11.227 1.00 0.00 C ATOM 798 CE2 PHE A 52 9.269 11.371 11.340 1.00 0.00 C ATOM 799 CZ PHE A 52 10.144 10.279 11.489 1.00 0.00 C ATOM 0 H PHE A 52 4.002 8.439 9.536 1.00 0.00 H new ATOM 0 HA PHE A 52 5.696 8.339 11.781 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.106 8.945 9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.665 10.571 9.756 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.016 7.768 10.585 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.279 12.007 10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.347 8.134 11.360 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.614 12.371 11.559 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.164 10.441 11.804 1.00 0.00 H new ATOM 809 N GLU A 53 3.471 10.725 11.995 1.00 0.00 N ATOM 810 CA GLU A 53 2.828 11.643 12.955 1.00 0.00 C ATOM 811 C GLU A 53 2.438 10.979 14.302 1.00 0.00 C ATOM 812 O GLU A 53 2.365 11.664 15.332 1.00 0.00 O ATOM 813 CB GLU A 53 1.601 12.249 12.252 1.00 0.00 C ATOM 814 CG GLU A 53 0.844 13.309 13.063 1.00 0.00 C ATOM 815 CD GLU A 53 -0.252 13.974 12.222 1.00 0.00 C ATOM 816 OE1 GLU A 53 -1.108 13.257 11.649 1.00 0.00 O ATOM 817 OE2 GLU A 53 -0.258 15.223 12.106 1.00 0.00 O ATOM 0 H GLU A 53 2.926 10.591 11.144 1.00 0.00 H new ATOM 0 HA GLU A 53 3.547 12.413 13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.924 12.696 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.910 11.444 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.399 12.847 13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.543 14.066 13.418 1.00 0.00 H new ATOM 824 N LYS A 54 2.209 9.654 14.305 1.00 0.00 N ATOM 825 CA LYS A 54 1.745 8.826 15.444 1.00 0.00 C ATOM 826 C LYS A 54 2.730 7.718 15.894 1.00 0.00 C ATOM 827 O LYS A 54 2.383 6.847 16.691 1.00 0.00 O ATOM 828 CB LYS A 54 0.283 8.390 15.209 1.00 0.00 C ATOM 829 CG LYS A 54 0.016 7.543 13.955 1.00 0.00 C ATOM 830 CD LYS A 54 -1.496 7.420 13.692 1.00 0.00 C ATOM 831 CE LYS A 54 -1.792 6.662 12.390 1.00 0.00 C ATOM 832 NZ LYS A 54 -3.239 6.681 12.067 1.00 0.00 N ATOM 0 H LYS A 54 2.350 9.094 13.464 1.00 0.00 H new ATOM 0 HA LYS A 54 1.743 9.449 16.338 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.049 7.825 16.080 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.336 9.285 15.155 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.504 7.997 13.093 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.450 6.551 14.081 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.969 6.904 14.528 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.938 8.415 13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.229 7.110 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.452 5.630 12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.404 6.160 11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.773 6.231 12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.557 7.665 11.954 1.00 0.00 H new ATOM 846 N SER A 55 3.962 7.769 15.385 1.00 0.00 N ATOM 847 CA SER A 55 5.132 6.880 15.553 1.00 0.00 C ATOM 848 C SER A 55 5.646 6.519 16.970 1.00 0.00 C ATOM 849 O SER A 55 6.788 6.081 17.083 1.00 0.00 O ATOM 850 CB SER A 55 6.293 7.521 14.774 1.00 0.00 C ATOM 851 OG SER A 55 6.616 8.777 15.350 1.00 0.00 O ATOM 0 H SER A 55 4.203 8.537 14.759 1.00 0.00 H new ATOM 0 HA SER A 55 4.770 5.917 15.192 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.164 6.866 14.794 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.015 7.650 13.728 1.00 0.00 H new ATOM 0 HG SER A 55 6.251 9.496 14.793 1.00 0.00 H new ATOM 857 N SER A 56 4.884 6.677 18.059 1.00 0.00 N ATOM 858 CA SER A 56 5.394 6.756 19.452 1.00 0.00 C ATOM 859 C SER A 56 6.157 5.533 20.015 1.00 0.00 C ATOM 860 O SER A 56 6.732 5.622 21.100 1.00 0.00 O ATOM 861 CB SER A 56 4.246 7.141 20.393 1.00 0.00 C ATOM 862 OG SER A 56 3.878 8.479 20.116 1.00 0.00 O ATOM 0 H SER A 56 3.869 6.756 18.005 1.00 0.00 H new ATOM 0 HA SER A 56 6.168 7.522 19.401 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.396 6.475 20.248 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.556 7.039 21.433 1.00 0.00 H new ATOM 0 HG SER A 56 3.143 8.745 20.707 1.00 0.00 H new ATOM 868 N SER A 57 6.240 4.422 19.280 1.00 0.00 N ATOM 869 CA SER A 57 7.266 3.376 19.426 1.00 0.00 C ATOM 870 C SER A 57 7.592 2.788 18.047 1.00 0.00 C ATOM 871 O SER A 57 6.712 2.725 17.180 1.00 0.00 O ATOM 872 CB SER A 57 6.803 2.282 20.393 1.00 0.00 C ATOM 873 OG SER A 57 7.644 1.150 20.292 1.00 0.00 O ATOM 0 H SER A 57 5.572 4.214 18.538 1.00 0.00 H new ATOM 0 HA SER A 57 8.168 3.820 19.847 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.814 2.662 21.415 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.774 2.000 20.169 1.00 0.00 H new ATOM 0 HG SER A 57 7.339 0.459 20.916 1.00 0.00 H new ATOM 879 N LYS A 58 8.821 2.288 17.839 1.00 0.00 N ATOM 880 CA LYS A 58 9.176 1.528 16.624 1.00 0.00 C ATOM 881 C LYS A 58 8.274 0.307 16.450 1.00 0.00 C ATOM 882 O LYS A 58 7.837 0.037 15.336 1.00 0.00 O ATOM 883 CB LYS A 58 10.657 1.114 16.667 1.00 0.00 C ATOM 884 CG LYS A 58 11.129 0.375 15.432 1.00 0.00 C ATOM 885 CD LYS A 58 12.646 0.137 15.499 1.00 0.00 C ATOM 886 CE LYS A 58 13.186 -0.389 14.173 1.00 0.00 C ATOM 887 NZ LYS A 58 13.082 -1.858 14.051 1.00 0.00 N ATOM 0 H LYS A 58 9.591 2.396 18.499 1.00 0.00 H new ATOM 0 HA LYS A 58 9.022 2.176 15.761 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.269 2.006 16.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.821 0.483 17.540 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.608 -0.579 15.349 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.884 0.951 14.540 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.151 1.068 15.755 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.869 -0.576 16.293 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.640 0.078 13.353 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.230 -0.094 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.680 -2.184 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.399 -2.303 14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.093 -2.122 13.866 1.00 0.00 H new ATOM 901 N GLU A 59 7.927 -0.375 17.540 1.00 0.00 N ATOM 902 CA GLU A 59 7.001 -1.512 17.507 1.00 0.00 C ATOM 903 C GLU A 59 5.553 -1.091 17.201 1.00 0.00 C ATOM 904 O GLU A 59 4.784 -1.893 16.675 1.00 0.00 O ATOM 905 CB GLU A 59 7.068 -2.285 18.833 1.00 0.00 C ATOM 906 CG GLU A 59 8.395 -3.036 18.998 1.00 0.00 C ATOM 907 CD GLU A 59 8.283 -4.152 20.041 1.00 0.00 C ATOM 908 OE1 GLU A 59 7.701 -5.218 19.718 1.00 0.00 O ATOM 909 OE2 GLU A 59 8.797 -3.972 21.176 1.00 0.00 O ATOM 0 H GLU A 59 8.278 -0.157 18.472 1.00 0.00 H new ATOM 0 HA GLU A 59 7.317 -2.161 16.690 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.939 -1.591 19.663 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.242 -2.995 18.880 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.695 -3.461 18.040 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.176 -2.336 19.295 1.00 0.00 H new ATOM 916 N GLU A 60 5.155 0.154 17.474 1.00 0.00 N ATOM 917 CA GLU A 60 3.833 0.667 17.083 1.00 0.00 C ATOM 918 C GLU A 60 3.803 1.083 15.608 1.00 0.00 C ATOM 919 O GLU A 60 2.832 0.775 14.918 1.00 0.00 O ATOM 920 CB GLU A 60 3.399 1.831 17.990 1.00 0.00 C ATOM 921 CG GLU A 60 3.189 1.439 19.460 1.00 0.00 C ATOM 922 CD GLU A 60 1.887 0.667 19.695 1.00 0.00 C ATOM 923 OE1 GLU A 60 1.771 -0.512 19.283 1.00 0.00 O ATOM 924 OE2 GLU A 60 0.957 1.231 20.322 1.00 0.00 O ATOM 0 H GLU A 60 5.733 0.833 17.969 1.00 0.00 H new ATOM 0 HA GLU A 60 3.118 -0.146 17.211 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.153 2.617 17.939 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.472 2.253 17.602 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.030 0.830 19.791 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.186 2.340 20.073 1.00 0.00 H new ATOM 931 N TYR A 61 4.873 1.701 15.091 1.00 0.00 N ATOM 932 CA TYR A 61 5.046 1.953 13.653 1.00 0.00 C ATOM 933 C TYR A 61 5.058 0.623 12.872 1.00 0.00 C ATOM 934 O TYR A 61 4.261 0.430 11.953 1.00 0.00 O ATOM 935 CB TYR A 61 6.322 2.789 13.433 1.00 0.00 C ATOM 936 CG TYR A 61 6.583 3.196 11.989 1.00 0.00 C ATOM 937 CD1 TYR A 61 7.282 2.319 11.140 1.00 0.00 C ATOM 938 CD2 TYR A 61 6.142 4.443 11.491 1.00 0.00 C ATOM 939 CE1 TYR A 61 7.518 2.670 9.798 1.00 0.00 C ATOM 940 CE2 TYR A 61 6.359 4.795 10.139 1.00 0.00 C ATOM 941 CZ TYR A 61 7.051 3.902 9.287 1.00 0.00 C ATOM 942 OH TYR A 61 7.292 4.208 7.983 1.00 0.00 O ATOM 0 H TYR A 61 5.647 2.042 15.661 1.00 0.00 H new ATOM 0 HA TYR A 61 4.205 2.529 13.267 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.258 3.690 14.043 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.178 2.220 13.795 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.639 1.373 11.520 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.635 5.133 12.149 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.060 1.993 9.154 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.999 5.740 9.759 1.00 0.00 H new ATOM 0 HH TYR A 61 7.237 5.179 7.859 1.00 0.00 H new ATOM 952 N GLN A 62 5.890 -0.340 13.290 1.00 0.00 N ATOM 953 CA GLN A 62 6.016 -1.648 12.639 1.00 0.00 C ATOM 954 C GLN A 62 4.717 -2.477 12.702 1.00 0.00 C ATOM 955 O GLN A 62 4.294 -2.994 11.661 1.00 0.00 O ATOM 956 CB GLN A 62 7.204 -2.426 13.240 1.00 0.00 C ATOM 957 CG GLN A 62 8.567 -1.949 12.718 1.00 0.00 C ATOM 958 CD GLN A 62 9.681 -2.905 13.134 1.00 0.00 C ATOM 959 OE1 GLN A 62 10.410 -2.679 14.088 1.00 0.00 O ATOM 960 NE2 GLN A 62 9.857 -4.016 12.456 1.00 0.00 N ATOM 0 H GLN A 62 6.501 -0.230 14.099 1.00 0.00 H new ATOM 0 HA GLN A 62 6.207 -1.466 11.581 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.183 -2.327 14.325 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.087 -3.486 13.015 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.537 -1.872 11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.778 -0.951 13.102 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.260 -4.225 11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.591 -4.670 12.730 1.00 0.00 H new ATOM 969 N LYS A 63 4.033 -2.562 13.859 1.00 0.00 N ATOM 970 CA LYS A 63 2.783 -3.328 13.973 1.00 0.00 C ATOM 971 C LYS A 63 1.618 -2.644 13.264 1.00 0.00 C ATOM 972 O LYS A 63 0.842 -3.320 12.603 1.00 0.00 O ATOM 973 CB LYS A 63 2.493 -3.638 15.450 1.00 0.00 C ATOM 974 CG LYS A 63 1.297 -4.588 15.629 1.00 0.00 C ATOM 975 CD LYS A 63 1.333 -5.226 17.024 1.00 0.00 C ATOM 976 CE LYS A 63 0.206 -6.230 17.288 1.00 0.00 C ATOM 977 NZ LYS A 63 -1.098 -5.575 17.546 1.00 0.00 N ATOM 0 H LYS A 63 4.327 -2.110 14.725 1.00 0.00 H new ATOM 0 HA LYS A 63 2.910 -4.278 13.454 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.378 -4.083 15.905 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.296 -2.707 15.981 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.364 -4.040 15.496 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.322 -5.365 14.865 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.291 -5.730 17.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.283 -4.436 17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.110 -6.895 16.430 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.471 -6.850 18.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.823 -6.301 17.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.019 -4.960 18.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.369 -5.004 16.720 1.00 0.00 H new ATOM 991 N THR A 64 1.527 -1.311 13.295 1.00 0.00 N ATOM 992 CA THR A 64 0.474 -0.590 12.553 1.00 0.00 C ATOM 993 C THR A 64 0.646 -0.727 11.039 1.00 0.00 C ATOM 994 O THR A 64 -0.354 -0.911 10.343 1.00 0.00 O ATOM 995 CB THR A 64 0.419 0.895 12.938 1.00 0.00 C ATOM 996 OG1 THR A 64 0.269 1.044 14.336 1.00 0.00 O ATOM 997 CG2 THR A 64 -0.751 1.631 12.291 1.00 0.00 C ATOM 0 H THR A 64 2.161 -0.709 13.820 1.00 0.00 H new ATOM 0 HA THR A 64 -0.470 -1.056 12.835 1.00 0.00 H new ATOM 0 HB THR A 64 1.358 1.321 12.586 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.078 0.725 14.788 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.739 2.676 12.600 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.663 1.572 11.206 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.688 1.171 12.605 1.00 0.00 H new ATOM 1005 N MET A 65 1.888 -0.716 10.532 1.00 0.00 N ATOM 1006 CA MET A 65 2.193 -1.028 9.129 1.00 0.00 C ATOM 1007 C MET A 65 1.755 -2.461 8.778 1.00 0.00 C ATOM 1008 O MET A 65 1.020 -2.650 7.811 1.00 0.00 O ATOM 1009 CB MET A 65 3.696 -0.809 8.871 1.00 0.00 C ATOM 1010 CG MET A 65 4.093 -0.971 7.396 1.00 0.00 C ATOM 1011 SD MET A 65 3.475 0.307 6.262 1.00 0.00 S ATOM 1012 CE MET A 65 4.547 1.704 6.705 1.00 0.00 C ATOM 0 H MET A 65 2.713 -0.489 11.087 1.00 0.00 H new ATOM 0 HA MET A 65 1.631 -0.358 8.479 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.972 0.191 9.206 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.267 -1.516 9.473 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.181 -0.990 7.333 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.737 -1.941 7.048 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.314 2.558 6.069 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.381 1.973 7.748 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.590 1.421 6.565 1.00 0.00 H new ATOM 1022 N LYS A 66 2.107 -3.453 9.610 1.00 0.00 N ATOM 1023 CA LYS A 66 1.688 -4.860 9.450 1.00 0.00 C ATOM 1024 C LYS A 66 0.158 -4.987 9.427 1.00 0.00 C ATOM 1025 O LYS A 66 -0.398 -5.634 8.546 1.00 0.00 O ATOM 1026 CB LYS A 66 2.328 -5.707 10.563 1.00 0.00 C ATOM 1027 CG LYS A 66 2.576 -7.193 10.253 1.00 0.00 C ATOM 1028 CD LYS A 66 1.356 -8.028 9.839 1.00 0.00 C ATOM 1029 CE LYS A 66 1.702 -9.523 9.768 1.00 0.00 C ATOM 1030 NZ LYS A 66 1.897 -10.118 11.112 1.00 0.00 N ATOM 0 H LYS A 66 2.700 -3.301 10.426 1.00 0.00 H new ATOM 0 HA LYS A 66 2.037 -5.236 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.282 -5.252 10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.690 -5.647 11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.316 -7.254 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.020 -7.654 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.547 -7.873 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.993 -7.690 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.904 -10.055 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.609 -9.657 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.926 -11.155 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.792 -9.777 11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.109 -9.841 11.732 1.00 0.00 H new ATOM 1044 N SER A 67 -0.547 -4.304 10.327 1.00 0.00 N ATOM 1045 CA SER A 67 -2.001 -4.323 10.422 1.00 0.00 C ATOM 1046 C SER A 67 -2.705 -3.566 9.286 1.00 0.00 C ATOM 1047 O SER A 67 -3.823 -3.932 8.918 1.00 0.00 O ATOM 1048 CB SER A 67 -2.370 -3.792 11.801 1.00 0.00 C ATOM 1049 OG SER A 67 -1.880 -4.710 12.760 1.00 0.00 O ATOM 0 H SER A 67 -0.108 -3.707 11.028 1.00 0.00 H new ATOM 0 HA SER A 67 -2.357 -5.346 10.302 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.936 -2.805 11.960 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.451 -3.683 11.893 1.00 0.00 H new ATOM 0 HG SER A 67 -0.933 -4.527 12.935 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.048 -2.569 8.669 1.00 0.00 N ATOM 1056 CA LYS A 68 -2.524 -1.910 7.440 1.00 0.00 C ATOM 1057 C LYS A 68 -2.339 -2.816 6.220 1.00 0.00 C ATOM 1058 O LYS A 68 -3.250 -2.934 5.401 1.00 0.00 O ATOM 1059 CB LYS A 68 -1.801 -0.562 7.253 1.00 0.00 C ATOM 1060 CG LYS A 68 -2.452 0.344 6.191 1.00 0.00 C ATOM 1061 CD LYS A 68 -3.766 0.961 6.693 1.00 0.00 C ATOM 1062 CE LYS A 68 -4.348 1.925 5.654 1.00 0.00 C ATOM 1063 NZ LYS A 68 -5.610 2.537 6.131 1.00 0.00 N ATOM 0 H LYS A 68 -1.164 -2.194 9.012 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.592 -1.718 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.782 -0.034 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.765 -0.751 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.759 1.139 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.645 -0.235 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.486 0.171 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.589 1.491 7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.622 2.708 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.531 1.391 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.978 3.184 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.310 1.790 6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.429 3.067 7.007 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.202 -3.512 6.136 1.00 0.00 N ATOM 1078 CA ILE A 69 -0.948 -4.563 5.140 1.00 0.00 C ATOM 1079 C ILE A 69 -1.995 -5.681 5.272 1.00 0.00 C ATOM 1080 O ILE A 69 -2.580 -6.064 4.269 1.00 0.00 O ATOM 1081 CB ILE A 69 0.519 -5.055 5.249 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.467 -3.952 4.717 1.00 0.00 C ATOM 1083 CG2 ILE A 69 0.748 -6.374 4.488 1.00 0.00 C ATOM 1084 CD1 ILE A 69 2.954 -4.192 5.010 1.00 0.00 C ATOM 0 H ILE A 69 -0.416 -3.360 6.769 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.059 -4.164 4.132 1.00 0.00 H new ATOM 0 HB ILE A 69 0.733 -5.255 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.332 -3.864 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.174 -2.997 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.789 -6.679 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.100 -7.148 4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.517 -6.230 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.543 -3.371 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.108 -4.248 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.269 -5.128 4.549 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.325 -6.125 6.488 1.00 0.00 N ATOM 1097 CA ASP A 70 -3.390 -7.103 6.775 1.00 0.00 C ATOM 1098 C ASP A 70 -4.794 -6.637 6.332 1.00 0.00 C ATOM 1099 O ASP A 70 -5.564 -7.424 5.770 1.00 0.00 O ATOM 1100 CB ASP A 70 -3.343 -7.391 8.284 1.00 0.00 C ATOM 1101 CG ASP A 70 -4.529 -8.188 8.826 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -4.459 -9.439 8.841 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -5.481 -7.562 9.356 1.00 0.00 O ATOM 0 H ASP A 70 -1.846 -5.806 7.330 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.209 -8.007 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.426 -7.936 8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.287 -6.443 8.818 1.00 0.00 H new ATOM 1108 N ALA A 71 -5.120 -5.354 6.525 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.382 -4.769 6.068 1.00 0.00 C ATOM 1110 C ALA A 71 -6.463 -4.686 4.532 1.00 0.00 C ATOM 1111 O ALA A 71 -7.498 -4.999 3.933 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.541 -3.382 6.706 1.00 0.00 C ATOM 0 H ALA A 71 -4.512 -4.691 7.005 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.201 -5.417 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.478 -2.934 6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.550 -3.480 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.708 -2.746 6.406 1.00 0.00 H new ATOM 1118 N MET A 72 -5.361 -4.319 3.871 1.00 0.00 N ATOM 1119 CA MET A 72 -5.298 -4.229 2.409 1.00 0.00 C ATOM 1120 C MET A 72 -5.216 -5.609 1.740 1.00 0.00 C ATOM 1121 O MET A 72 -5.923 -5.842 0.761 1.00 0.00 O ATOM 1122 CB MET A 72 -4.147 -3.302 1.991 1.00 0.00 C ATOM 1123 CG MET A 72 -4.389 -1.836 2.365 1.00 0.00 C ATOM 1124 SD MET A 72 -5.780 -1.081 1.478 1.00 0.00 S ATOM 1125 CE MET A 72 -5.626 0.637 2.029 1.00 0.00 C ATOM 0 H MET A 72 -4.486 -4.076 4.335 1.00 0.00 H new ATOM 0 HA MET A 72 -6.231 -3.791 2.054 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.225 -3.643 2.461 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.002 -3.376 0.913 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.573 -1.769 3.437 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.484 -1.263 2.160 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.210 1.283 1.374 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.996 0.726 3.050 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.579 0.938 1.995 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.479 -6.565 2.325 1.00 0.00 N ATOM 1136 CA ARG A 73 -4.484 -7.998 1.972 1.00 0.00 C ATOM 1137 C ARG A 73 -5.908 -8.539 2.005 1.00 0.00 C ATOM 1138 O ARG A 73 -6.374 -9.086 1.010 1.00 0.00 O ATOM 1139 CB ARG A 73 -3.560 -8.757 2.948 1.00 0.00 C ATOM 1140 CG ARG A 73 -3.422 -10.278 2.744 1.00 0.00 C ATOM 1141 CD ARG A 73 -4.644 -11.125 3.146 1.00 0.00 C ATOM 1142 NE ARG A 73 -4.238 -12.512 3.417 1.00 0.00 N ATOM 1143 CZ ARG A 73 -4.811 -13.653 3.086 1.00 0.00 C ATOM 1144 NH1 ARG A 73 -5.909 -13.758 2.395 1.00 0.00 N ATOM 1145 NH2 ARG A 73 -4.238 -14.744 3.486 1.00 0.00 N ATOM 0 H ARG A 73 -3.836 -6.355 3.089 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.107 -8.139 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.565 -8.316 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.922 -8.583 3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.204 -10.466 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.560 -10.625 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.116 -10.698 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.386 -11.106 2.348 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.372 -12.607 3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.389 -12.919 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.290 -14.679 2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.379 -14.698 4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.646 -15.649 3.253 1.00 0.00 H new ATOM 1159 N SER A 74 -6.618 -8.320 3.115 1.00 0.00 N ATOM 1160 CA SER A 74 -8.019 -8.741 3.266 1.00 0.00 C ATOM 1161 C SER A 74 -8.927 -8.039 2.248 1.00 0.00 C ATOM 1162 O SER A 74 -9.857 -8.636 1.711 1.00 0.00 O ATOM 1163 CB SER A 74 -8.518 -8.477 4.694 1.00 0.00 C ATOM 1164 OG SER A 74 -7.714 -9.140 5.658 1.00 0.00 O ATOM 0 H SER A 74 -6.241 -7.846 3.936 1.00 0.00 H new ATOM 0 HA SER A 74 -8.061 -9.813 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.512 -7.405 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.551 -8.813 4.787 1.00 0.00 H new ATOM 0 HG SER A 74 -6.912 -8.606 5.838 1.00 0.00 H new ATOM 1170 N THR A 75 -8.616 -6.790 1.894 1.00 0.00 N ATOM 1171 CA THR A 75 -9.349 -6.050 0.861 1.00 0.00 C ATOM 1172 C THR A 75 -9.124 -6.619 -0.547 1.00 0.00 C ATOM 1173 O THR A 75 -10.094 -6.670 -1.295 1.00 0.00 O ATOM 1174 CB THR A 75 -9.083 -4.541 0.967 1.00 0.00 C ATOM 1175 OG1 THR A 75 -9.501 -4.117 2.253 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.868 -3.716 -0.052 1.00 0.00 C ATOM 0 H THR A 75 -7.850 -6.263 2.314 1.00 0.00 H new ATOM 0 HA THR A 75 -10.414 -6.190 1.048 1.00 0.00 H new ATOM 0 HB THR A 75 -8.020 -4.386 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.839 -4.394 2.920 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.634 -2.659 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.595 -4.027 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.936 -3.872 0.099 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.947 -7.168 -0.907 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.766 -7.927 -2.179 1.00 0.00 C ATOM 1186 C ARG A 76 -8.822 -9.021 -2.338 1.00 0.00 C ATOM 1187 O ARG A 76 -9.461 -9.161 -3.376 1.00 0.00 O ATOM 1188 CB ARG A 76 -6.390 -8.623 -2.264 1.00 0.00 C ATOM 1189 CG ARG A 76 -5.195 -7.708 -2.012 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.862 -8.313 -2.480 1.00 0.00 C ATOM 1191 NE ARG A 76 -3.566 -9.587 -1.794 1.00 0.00 N ATOM 1192 CZ ARG A 76 -2.380 -10.133 -1.617 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -1.300 -9.718 -2.216 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -2.289 -11.128 -0.793 1.00 0.00 N ATOM 0 H ARG A 76 -7.101 -7.105 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.856 -7.179 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.365 -9.438 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.285 -9.071 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.357 -6.760 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.133 -7.487 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.897 -8.480 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.056 -7.604 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.364 -10.098 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.346 -8.930 -2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.409 -10.181 -2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.120 -11.464 -0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.387 -11.575 -0.631 1.00 0.00 H new ATOM 1208 N ASP A 77 -9.024 -9.754 -1.250 1.00 0.00 N ATOM 1209 CA ASP A 77 -9.971 -10.875 -1.160 1.00 0.00 C ATOM 1210 C ASP A 77 -11.432 -10.393 -1.246 1.00 0.00 C ATOM 1211 O ASP A 77 -12.274 -11.016 -1.900 1.00 0.00 O ATOM 1212 CB ASP A 77 -9.749 -11.652 0.147 1.00 0.00 C ATOM 1213 CG ASP A 77 -8.356 -12.270 0.286 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -8.060 -13.240 -0.446 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -7.587 -11.898 1.202 1.00 0.00 O ATOM 0 H ASP A 77 -8.523 -9.586 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.786 -11.534 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.921 -10.981 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.494 -12.445 0.215 1.00 0.00 H new ATOM 1220 N LYS A 78 -11.731 -9.240 -0.641 1.00 0.00 N ATOM 1221 CA LYS A 78 -13.048 -8.583 -0.677 1.00 0.00 C ATOM 1222 C LYS A 78 -13.433 -8.118 -2.065 1.00 0.00 C ATOM 1223 O LYS A 78 -14.466 -8.512 -2.608 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.978 -7.383 0.282 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.314 -6.772 0.722 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.005 -5.582 1.645 1.00 0.00 C ATOM 1227 CE LYS A 78 -15.236 -4.739 1.980 1.00 0.00 C ATOM 1228 NZ LYS A 78 -14.856 -3.588 2.833 1.00 0.00 N ATOM 0 H LYS A 78 -11.045 -8.719 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.813 -9.299 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.435 -7.693 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.387 -6.601 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.888 -6.444 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.920 -7.513 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.565 -5.954 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.257 -4.947 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.701 -4.381 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.976 -5.352 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.702 -3.024 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.433 -3.936 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.166 -2.995 2.329 1.00 0.00 H new ATOM 1242 N ARG A 79 -12.516 -7.390 -2.691 1.00 0.00 N ATOM 1243 CA ARG A 79 -12.621 -6.972 -4.099 1.00 0.00 C ATOM 1244 C ARG A 79 -12.729 -8.165 -5.053 1.00 0.00 C ATOM 1245 O ARG A 79 -13.257 -7.986 -6.150 1.00 0.00 O ATOM 1246 CB ARG A 79 -11.446 -6.053 -4.486 1.00 0.00 C ATOM 1247 CG ARG A 79 -11.336 -4.767 -3.646 1.00 0.00 C ATOM 1248 CD ARG A 79 -12.571 -3.858 -3.718 1.00 0.00 C ATOM 1249 NE ARG A 79 -12.466 -2.762 -2.738 1.00 0.00 N ATOM 1250 CZ ARG A 79 -13.277 -2.485 -1.734 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -14.396 -3.109 -1.513 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -12.947 -1.542 -0.911 1.00 0.00 N ATOM 0 H ARG A 79 -11.663 -7.065 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.547 -6.406 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.516 -6.614 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.547 -5.778 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.161 -5.040 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.464 -4.203 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.668 -3.447 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.471 -4.442 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.666 -2.139 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.692 -3.862 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.978 -2.846 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.075 -1.030 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.559 -1.311 -0.128 1.00 0.00 H new ATOM 1266 N LYS A 80 -12.315 -9.373 -4.638 1.00 0.00 N ATOM 1267 CA LYS A 80 -12.494 -10.615 -5.420 1.00 0.00 C ATOM 1268 C LYS A 80 -13.917 -11.171 -5.299 1.00 0.00 C ATOM 1269 O LYS A 80 -14.503 -11.581 -6.300 1.00 0.00 O ATOM 1270 CB LYS A 80 -11.398 -11.635 -5.061 1.00 0.00 C ATOM 1271 CG LYS A 80 -11.475 -12.910 -5.917 1.00 0.00 C ATOM 1272 CD LYS A 80 -10.394 -13.932 -5.543 1.00 0.00 C ATOM 1273 CE LYS A 80 -8.999 -13.489 -5.996 1.00 0.00 C ATOM 1274 NZ LYS A 80 -7.957 -14.415 -5.505 1.00 0.00 N ATOM 0 H LYS A 80 -11.843 -9.520 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.374 -10.382 -6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.420 -11.173 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.486 -11.903 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.458 -13.365 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.372 -12.645 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.394 -14.080 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.633 -14.894 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.965 -13.444 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.797 -12.483 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.023 -14.089 -5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.975 -14.439 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.138 -15.369 -5.876 1.00 0.00 H new ATOM 1288 N ARG A 81 -14.533 -11.098 -4.116 1.00 0.00 N ATOM 1289 CA ARG A 81 -15.944 -11.478 -3.906 1.00 0.00 C ATOM 1290 C ARG A 81 -16.881 -10.564 -4.684 1.00 0.00 C ATOM 1291 O ARG A 81 -17.738 -11.033 -5.429 1.00 0.00 O ATOM 1292 CB ARG A 81 -16.290 -11.539 -2.405 1.00 0.00 C ATOM 1293 CG ARG A 81 -15.631 -12.751 -1.724 1.00 0.00 C ATOM 1294 CD ARG A 81 -16.048 -12.898 -0.253 1.00 0.00 C ATOM 1295 NE ARG A 81 -15.452 -11.868 0.620 1.00 0.00 N ATOM 1296 CZ ARG A 81 -14.279 -11.899 1.226 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -13.451 -12.892 1.084 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -13.939 -10.911 2.001 1.00 0.00 N ATOM 0 H ARG A 81 -14.069 -10.772 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.087 -12.484 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.960 -10.622 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -17.372 -11.594 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.898 -13.658 -2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.547 -12.652 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.134 -12.843 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.755 -13.885 0.105 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.014 -11.031 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.699 -13.682 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.553 -12.881 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.575 -10.125 2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.036 -10.922 2.475 1.00 0.00 H new ATOM 1312 N GLU A 82 -16.580 -9.277 -4.633 1.00 0.00 N ATOM 1313 CA GLU A 82 -17.259 -8.215 -5.386 1.00 0.00 C ATOM 1314 C GLU A 82 -17.006 -8.249 -6.905 1.00 0.00 C ATOM 1315 O GLU A 82 -17.772 -7.644 -7.654 1.00 0.00 O ATOM 1316 CB GLU A 82 -16.844 -6.839 -4.840 1.00 0.00 C ATOM 1317 CG GLU A 82 -17.309 -6.594 -3.400 1.00 0.00 C ATOM 1318 CD GLU A 82 -17.041 -5.155 -2.951 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -15.953 -4.603 -3.237 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -17.935 -4.544 -2.315 1.00 0.00 O ATOM 0 H GLU A 82 -15.827 -8.921 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 82 -18.325 -8.393 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -15.759 -6.750 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.254 -6.061 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.375 -6.806 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.797 -7.285 -2.730 1.00 0.00 H new ATOM 1327 N SER A 83 -15.957 -8.934 -7.379 1.00 0.00 N ATOM 1328 CA SER A 83 -15.635 -8.999 -8.820 1.00 0.00 C ATOM 1329 C SER A 83 -16.044 -10.327 -9.477 1.00 0.00 C ATOM 1330 O SER A 83 -16.556 -10.317 -10.599 1.00 0.00 O ATOM 1331 CB SER A 83 -14.152 -8.681 -9.039 1.00 0.00 C ATOM 1332 OG SER A 83 -13.846 -8.503 -10.409 1.00 0.00 O ATOM 0 H SER A 83 -15.311 -9.455 -6.786 1.00 0.00 H new ATOM 0 HA SER A 83 -16.235 -8.240 -9.322 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.890 -7.778 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.544 -9.490 -8.634 1.00 0.00 H new ATOM 0 HG SER A 83 -12.892 -8.300 -10.508 1.00 0.00 H new ATOM 1338 N VAL A 84 -15.873 -11.462 -8.785 1.00 0.00 N ATOM 1339 CA VAL A 84 -16.073 -12.825 -9.337 1.00 0.00 C ATOM 1340 C VAL A 84 -16.795 -13.811 -8.398 1.00 0.00 C ATOM 1341 O VAL A 84 -17.098 -14.933 -8.809 1.00 0.00 O ATOM 1342 CB VAL A 84 -14.738 -13.444 -9.820 1.00 0.00 C ATOM 1343 CG1 VAL A 84 -14.081 -12.629 -10.936 1.00 0.00 C ATOM 1344 CG2 VAL A 84 -13.704 -13.627 -8.703 1.00 0.00 C ATOM 0 H VAL A 84 -15.586 -11.467 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 84 -16.742 -12.672 -10.184 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.030 -14.425 -10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -13.149 -13.108 -11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.754 -12.576 -11.792 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.871 -11.622 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.796 -14.065 -9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.471 -12.658 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -14.109 -14.288 -7.937 1.00 0.00 H new ATOM 1354 N GLY A 85 -17.085 -13.437 -7.147 1.00 0.00 N ATOM 1355 CA GLY A 85 -17.797 -14.300 -6.186 1.00 0.00 C ATOM 1356 C GLY A 85 -16.968 -15.462 -5.611 1.00 0.00 C ATOM 1357 O GLY A 85 -17.544 -16.479 -5.212 1.00 0.00 O ATOM 0 H GLY A 85 -16.833 -12.525 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.150 -13.683 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.679 -14.712 -6.676 1.00 0.00 H new ATOM 1361 N SER A 86 -15.633 -15.339 -5.596 1.00 0.00 N ATOM 1362 CA SER A 86 -14.677 -16.347 -5.087 1.00 0.00 C ATOM 1363 C SER A 86 -14.100 -15.960 -3.726 1.00 0.00 C ATOM 1364 O SER A 86 -13.121 -15.183 -3.692 1.00 0.00 O ATOM 1365 CB SER A 86 -13.563 -16.589 -6.116 1.00 0.00 C ATOM 1366 OG SER A 86 -14.111 -17.152 -7.296 1.00 0.00 O ATOM 1367 OXT SER A 86 -14.601 -16.467 -2.696 1.00 0.00 O ATOM 0 H SER A 86 -15.166 -14.504 -5.951 1.00 0.00 H new ATOM 0 HA SER A 86 -15.224 -17.278 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.061 -15.650 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.810 -17.258 -5.699 1.00 0.00 H new ATOM 0 HG SER A 86 -13.396 -17.302 -7.949 1.00 0.00 H new TER 1373 SER A 86