USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 606 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 Single : A 1 GLY N :NH3+ -125:sc= 0.0606 (180deg=0) USER MOD Single : A 2 SER OG : rot -163:sc= 1.36 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -172:sc= 0 (180deg=-0.0736) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.13) USER MOD Single : A 11 TYR OH : rot 2:sc= 1.05 USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 0.408 (180deg=-0.448!) USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= 0.993 (180deg=-0.633) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 21 SER OG : rot -81:sc= 1.16 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.06) USER MOD Single : A 34 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-4.4!) USER MOD Single : A 37 TYR OH : rot -150:sc= 1.28 USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= 0.646 (180deg=-2.07!) USER MOD Single : A 46 MET CE :methyl 155:sc= 0 (180deg=-0.176) USER MOD Single : A 48 MET CE :methyl 164:sc= -1.74 (180deg=-2.83!) USER MOD Single : A 50 SER OG : rot -110:sc= 1.43 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0486) USER MOD Single : A 60 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.47) USER MOD Single : A 61 MET CE :methyl 178:sc= -0.121 (180deg=-0.128) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.25) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= 1.19 (180deg=1.04) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.16) USER MOD Single : B 12 TYR OH : rot 30:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.310 2.606 -6.920 1.00 10.00 N ATOM 2 CA GLY A 1 -18.960 2.306 -6.484 1.00 10.00 C ATOM 3 C GLY A 1 -18.570 3.091 -5.248 1.00 10.00 C ATOM 4 O GLY A 1 -19.436 3.551 -4.499 1.00 10.00 O ATOM 0 H1 GLY A 1 -20.857 1.724 -6.986 1.00 10.00 H new ATOM 0 H2 GLY A 1 -20.763 3.244 -6.234 1.00 10.00 H new ATOM 0 H3 GLY A 1 -20.280 3.065 -7.853 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -18.876 1.239 -6.276 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -18.261 2.530 -7.290 1.00 10.00 H new ATOM 8 N SER A 2 -17.273 3.254 -5.046 1.00 10.00 N ATOM 9 CA SER A 2 -16.760 3.980 -3.898 1.00 10.00 C ATOM 10 C SER A 2 -16.632 5.465 -4.215 1.00 10.00 C ATOM 11 O SER A 2 -16.240 5.847 -5.322 1.00 10.00 O ATOM 12 CB SER A 2 -15.399 3.411 -3.488 1.00 10.00 C ATOM 13 OG SER A 2 -14.853 4.105 -2.374 1.00 10.00 O ATOM 0 H SER A 2 -16.552 2.890 -5.668 1.00 10.00 H new ATOM 0 HA SER A 2 -17.461 3.864 -3.071 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.505 2.354 -3.242 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.709 3.474 -4.330 1.00 10.00 H new ATOM 0 HG SER A 2 -13.895 3.910 -2.304 1.00 10.00 H new ATOM 19 N HIS A 3 -16.964 6.298 -3.242 1.00 10.00 N ATOM 20 CA HIS A 3 -16.876 7.741 -3.408 1.00 10.00 C ATOM 21 C HIS A 3 -15.650 8.275 -2.689 1.00 10.00 C ATOM 22 O HIS A 3 -15.446 9.485 -2.589 1.00 10.00 O ATOM 23 CB HIS A 3 -18.140 8.425 -2.885 1.00 10.00 C ATOM 24 CG HIS A 3 -19.352 8.155 -3.719 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.769 9.028 -4.700 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.195 7.098 -3.682 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.851 8.479 -5.233 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.140 7.313 -4.649 1.00 10.00 N ATOM 0 H HIS A 3 -17.298 5.999 -2.326 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.785 7.961 -4.472 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.329 8.091 -1.865 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.970 9.501 -2.842 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.134 6.248 -3.018 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.425 8.918 -6.036 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.920 6.697 -4.880 1.00 10.00 H new ATOM 36 N MET A 4 -14.836 7.356 -2.188 1.00 10.00 N ATOM 37 CA MET A 4 -13.616 7.713 -1.488 1.00 10.00 C ATOM 38 C MET A 4 -12.470 7.865 -2.481 1.00 10.00 C ATOM 39 O MET A 4 -12.687 7.900 -3.697 1.00 10.00 O ATOM 40 CB MET A 4 -13.269 6.653 -0.436 1.00 10.00 C ATOM 41 CG MET A 4 -14.153 6.700 0.799 1.00 10.00 C ATOM 42 SD MET A 4 -14.199 8.335 1.563 1.00 10.00 S ATOM 43 CE MET A 4 -12.544 8.454 2.242 1.00 10.00 C ATOM 0 H MET A 4 -15.003 6.352 -2.256 1.00 10.00 H new ATOM 0 HA MET A 4 -13.772 8.664 -0.979 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.348 5.665 -0.890 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.230 6.783 -0.133 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.166 6.402 0.527 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.792 5.974 1.527 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.469 9.346 2.864 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.334 7.572 2.847 1.00 10.00 H new ATOM 0 HE3 MET A 4 -11.821 8.517 1.429 1.00 10.00 H new ATOM 53 N ALA A 5 -11.255 7.961 -1.967 1.00 10.00 N ATOM 54 CA ALA A 5 -10.086 8.112 -2.811 1.00 10.00 C ATOM 55 C ALA A 5 -9.364 6.779 -2.974 1.00 10.00 C ATOM 56 O ALA A 5 -9.043 6.116 -1.989 1.00 10.00 O ATOM 57 CB ALA A 5 -9.148 9.154 -2.230 1.00 10.00 C ATOM 0 H ALA A 5 -11.054 7.937 -0.967 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.413 8.447 -3.795 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.275 9.257 -2.874 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.664 10.112 -2.163 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.830 8.843 -1.235 1.00 10.00 H new ATOM 63 N THR A 6 -9.121 6.384 -4.211 1.00 10.00 N ATOM 64 CA THR A 6 -8.431 5.136 -4.482 1.00 10.00 C ATOM 65 C THR A 6 -6.962 5.404 -4.783 1.00 10.00 C ATOM 66 O THR A 6 -6.639 6.247 -5.620 1.00 10.00 O ATOM 67 CB THR A 6 -9.080 4.389 -5.658 1.00 10.00 C ATOM 68 OG1 THR A 6 -10.463 4.757 -5.749 1.00 10.00 O ATOM 69 CG2 THR A 6 -8.972 2.883 -5.477 1.00 10.00 C ATOM 0 H THR A 6 -9.391 6.909 -5.043 1.00 10.00 H new ATOM 0 HA THR A 6 -8.507 4.508 -3.595 1.00 10.00 H new ATOM 0 HB THR A 6 -8.555 4.665 -6.573 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.879 4.283 -6.499 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.439 2.380 -6.324 1.00 10.00 H new ATOM 0 HG22 THR A 6 -7.922 2.598 -5.420 1.00 10.00 H new ATOM 0 HG23 THR A 6 -9.478 2.590 -4.557 1.00 10.00 H new ATOM 77 N VAL A 7 -6.080 4.691 -4.099 1.00 10.00 N ATOM 78 CA VAL A 7 -4.647 4.881 -4.275 1.00 10.00 C ATOM 79 C VAL A 7 -4.030 3.722 -5.053 1.00 10.00 C ATOM 80 O VAL A 7 -4.403 2.564 -4.861 1.00 10.00 O ATOM 81 CB VAL A 7 -3.922 5.018 -2.918 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.716 5.933 -3.042 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.865 5.522 -1.839 1.00 10.00 C ATOM 0 H VAL A 7 -6.331 3.975 -3.417 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.520 5.805 -4.840 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.575 4.027 -2.625 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.221 6.015 -2.075 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -2.020 5.521 -3.772 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -3.041 6.921 -3.368 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.326 5.608 -0.896 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -5.255 6.499 -2.124 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.692 4.821 -1.722 1.00 10.00 H new ATOM 93 N LYS A 8 -3.098 4.047 -5.940 1.00 10.00 N ATOM 94 CA LYS A 8 -2.414 3.041 -6.741 1.00 10.00 C ATOM 95 C LYS A 8 -1.074 2.688 -6.106 1.00 10.00 C ATOM 96 O LYS A 8 -0.276 3.570 -5.781 1.00 10.00 O ATOM 97 CB LYS A 8 -2.207 3.545 -8.172 1.00 10.00 C ATOM 98 CG LYS A 8 -3.476 3.542 -9.013 1.00 10.00 C ATOM 99 CD LYS A 8 -3.223 4.077 -10.413 1.00 10.00 C ATOM 100 CE LYS A 8 -4.368 3.731 -11.350 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.104 4.191 -12.738 1.00 10.00 N ATOM 0 H LYS A 8 -2.798 5.004 -6.123 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.033 2.145 -6.777 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.808 4.559 -8.136 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.456 2.924 -8.661 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.868 2.527 -9.077 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.238 4.148 -8.524 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -3.096 5.159 -10.374 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.294 3.661 -10.802 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.526 2.652 -11.348 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.288 4.188 -10.984 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.908 3.937 -13.347 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.979 5.223 -12.744 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.240 3.735 -13.096 1.00 10.00 H new ATOM 115 N PHE A 9 -0.829 1.400 -5.924 1.00 10.00 N ATOM 116 CA PHE A 9 0.405 0.935 -5.308 1.00 10.00 C ATOM 117 C PHE A 9 1.151 -0.024 -6.222 1.00 10.00 C ATOM 118 O PHE A 9 0.598 -1.030 -6.668 1.00 10.00 O ATOM 119 CB PHE A 9 0.101 0.246 -3.978 1.00 10.00 C ATOM 120 CG PHE A 9 -0.691 1.099 -3.033 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.975 0.740 -2.667 1.00 10.00 C ATOM 122 CD2 PHE A 9 -0.150 2.264 -2.515 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.705 1.522 -1.795 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.876 3.050 -1.645 1.00 10.00 C ATOM 125 CZ PHE A 9 -2.156 2.680 -1.286 1.00 10.00 C ATOM 0 H PHE A 9 -1.471 0.655 -6.195 1.00 10.00 H new ATOM 0 HA PHE A 9 1.039 1.804 -5.132 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.449 -0.675 -4.172 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.039 -0.037 -3.501 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.412 -0.163 -3.068 1.00 10.00 H new ATOM 0 HD2 PHE A 9 0.850 2.560 -2.795 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.705 1.227 -1.512 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -0.443 3.955 -1.245 1.00 10.00 H new ATOM 0 HZ PHE A 9 -2.727 3.296 -0.607 1.00 10.00 H new ATOM 135 N LYS A 10 2.407 0.291 -6.500 1.00 10.00 N ATOM 136 CA LYS A 10 3.243 -0.551 -7.345 1.00 10.00 C ATOM 137 C LYS A 10 3.873 -1.670 -6.512 1.00 10.00 C ATOM 138 O LYS A 10 5.037 -1.592 -6.106 1.00 10.00 O ATOM 139 CB LYS A 10 4.324 0.297 -8.024 1.00 10.00 C ATOM 140 CG LYS A 10 5.098 -0.436 -9.108 1.00 10.00 C ATOM 141 CD LYS A 10 6.136 0.473 -9.745 1.00 10.00 C ATOM 142 CE LYS A 10 7.130 -0.303 -10.591 1.00 10.00 C ATOM 143 NZ LYS A 10 8.335 0.510 -10.907 1.00 10.00 N ATOM 0 H LYS A 10 2.873 1.129 -6.151 1.00 10.00 H new ATOM 0 HA LYS A 10 2.626 -1.006 -8.119 1.00 10.00 H new ATOM 0 HB2 LYS A 10 3.857 1.180 -8.460 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.025 0.648 -7.266 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.588 -1.311 -8.681 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.409 -0.797 -9.871 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.635 1.216 -10.365 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.670 1.016 -8.965 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.430 -1.208 -10.062 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.651 -0.619 -11.518 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.960 -0.027 -11.541 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.045 1.393 -11.373 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.844 0.733 -10.028 1.00 10.00 H new ATOM 157 N TYR A 11 3.088 -2.704 -6.252 1.00 10.00 N ATOM 158 CA TYR A 11 3.537 -3.842 -5.462 1.00 10.00 C ATOM 159 C TYR A 11 4.192 -4.882 -6.368 1.00 10.00 C ATOM 160 O TYR A 11 3.554 -5.424 -7.268 1.00 10.00 O ATOM 161 CB TYR A 11 2.344 -4.428 -4.681 1.00 10.00 C ATOM 162 CG TYR A 11 2.293 -5.942 -4.613 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.216 -6.656 -3.864 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.325 -6.652 -5.310 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.172 -8.034 -3.806 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.273 -8.032 -5.254 1.00 10.00 C ATOM 167 CZ TYR A 11 2.204 -8.718 -4.503 1.00 10.00 C ATOM 168 OH TYR A 11 2.170 -10.094 -4.444 1.00 10.00 O ATOM 0 H TYR A 11 2.125 -2.779 -6.581 1.00 10.00 H new ATOM 0 HA TYR A 11 4.287 -3.521 -4.739 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.369 -4.036 -3.664 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.421 -4.070 -5.138 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.981 -6.125 -3.317 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.600 -6.117 -5.906 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.896 -8.574 -3.214 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.508 -8.570 -5.795 1.00 10.00 H new ATOM 0 HH TYR A 11 2.880 -10.414 -3.849 1.00 10.00 H new ATOM 178 N LYS A 12 5.484 -5.121 -6.141 1.00 10.00 N ATOM 179 CA LYS A 12 6.259 -6.086 -6.929 1.00 10.00 C ATOM 180 C LYS A 12 6.293 -5.691 -8.406 1.00 10.00 C ATOM 181 O LYS A 12 6.607 -6.508 -9.270 1.00 10.00 O ATOM 182 CB LYS A 12 5.678 -7.497 -6.792 1.00 10.00 C ATOM 183 CG LYS A 12 6.126 -8.230 -5.541 1.00 10.00 C ATOM 184 CD LYS A 12 7.630 -8.430 -5.519 1.00 10.00 C ATOM 185 CE LYS A 12 8.017 -9.618 -4.654 1.00 10.00 C ATOM 186 NZ LYS A 12 9.487 -9.702 -4.462 1.00 10.00 N ATOM 0 H LYS A 12 6.022 -4.655 -5.410 1.00 10.00 H new ATOM 0 HA LYS A 12 7.277 -6.080 -6.539 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.590 -7.432 -6.793 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.963 -8.083 -7.666 1.00 10.00 H new ATOM 0 HG2 LYS A 12 5.820 -7.667 -4.659 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.629 -9.199 -5.488 1.00 10.00 H new ATOM 0 HD2 LYS A 12 7.993 -8.584 -6.535 1.00 10.00 H new ATOM 0 HD3 LYS A 12 8.113 -7.529 -5.141 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.527 -9.536 -3.684 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.657 -10.537 -5.116 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.769 -10.699 -4.375 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 9.969 -9.275 -5.279 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.754 -9.190 -3.597 1.00 10.00 H new ATOM 200 N GLY A 13 5.976 -4.432 -8.685 1.00 10.00 N ATOM 201 CA GLY A 13 5.945 -3.956 -10.054 1.00 10.00 C ATOM 202 C GLY A 13 4.525 -3.906 -10.582 1.00 10.00 C ATOM 203 O GLY A 13 4.214 -3.148 -11.501 1.00 10.00 O ATOM 0 H GLY A 13 5.739 -3.730 -7.984 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.391 -2.963 -10.107 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.548 -4.611 -10.684 1.00 10.00 H new ATOM 207 N GLU A 14 3.663 -4.704 -9.965 1.00 10.00 N ATOM 208 CA GLU A 14 2.260 -4.785 -10.331 1.00 10.00 C ATOM 209 C GLU A 14 1.493 -3.640 -9.684 1.00 10.00 C ATOM 210 O GLU A 14 1.468 -3.511 -8.458 1.00 10.00 O ATOM 211 CB GLU A 14 1.694 -6.131 -9.873 1.00 10.00 C ATOM 212 CG GLU A 14 0.254 -6.376 -10.287 1.00 10.00 C ATOM 213 CD GLU A 14 -0.278 -7.692 -9.758 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.301 -8.752 -10.091 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.277 -7.681 -9.008 1.00 10.00 O ATOM 0 H GLU A 14 3.922 -5.316 -9.192 1.00 10.00 H new ATOM 0 HA GLU A 14 2.157 -4.705 -11.413 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.317 -6.930 -10.276 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.763 -6.190 -8.787 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.371 -5.561 -9.922 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.184 -6.369 -11.375 1.00 10.00 H new ATOM 222 N GLU A 15 0.896 -2.799 -10.505 1.00 10.00 N ATOM 223 CA GLU A 15 0.140 -1.666 -10.002 1.00 10.00 C ATOM 224 C GLU A 15 -1.226 -2.116 -9.494 1.00 10.00 C ATOM 225 O GLU A 15 -2.081 -2.548 -10.266 1.00 10.00 O ATOM 226 CB GLU A 15 -0.022 -0.600 -11.090 1.00 10.00 C ATOM 227 CG GLU A 15 -0.704 0.669 -10.601 1.00 10.00 C ATOM 228 CD GLU A 15 -0.890 1.688 -11.702 1.00 10.00 C ATOM 229 OE1 GLU A 15 -1.517 1.354 -12.729 1.00 10.00 O ATOM 230 OE2 GLU A 15 -0.412 2.830 -11.551 1.00 10.00 O ATOM 0 H GLU A 15 0.919 -2.877 -11.522 1.00 10.00 H new ATOM 0 HA GLU A 15 0.693 -1.230 -9.170 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.961 -0.345 -11.486 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.599 -1.019 -11.914 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.676 0.415 -10.178 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.112 1.110 -9.799 1.00 10.00 H new ATOM 237 N LYS A 16 -1.416 -2.029 -8.189 1.00 10.00 N ATOM 238 CA LYS A 16 -2.674 -2.410 -7.568 1.00 10.00 C ATOM 239 C LYS A 16 -3.445 -1.169 -7.156 1.00 10.00 C ATOM 240 O LYS A 16 -2.851 -0.163 -6.771 1.00 10.00 O ATOM 241 CB LYS A 16 -2.426 -3.290 -6.342 1.00 10.00 C ATOM 242 CG LYS A 16 -2.185 -4.751 -6.675 1.00 10.00 C ATOM 243 CD LYS A 16 -2.469 -5.638 -5.471 1.00 10.00 C ATOM 244 CE LYS A 16 -2.387 -7.113 -5.826 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.181 -7.441 -7.040 1.00 10.00 N ATOM 0 H LYS A 16 -0.709 -1.695 -7.534 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.258 -2.976 -8.294 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.564 -2.904 -5.798 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.284 -3.216 -5.674 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.822 -5.048 -7.508 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.153 -4.889 -6.998 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.755 -5.415 -4.678 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.461 -5.413 -5.079 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.345 -7.389 -5.989 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.746 -7.708 -4.986 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.453 -8.444 -7.016 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -4.037 -6.850 -7.065 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.609 -7.258 -7.889 1.00 10.00 H new ATOM 259 N GLN A 17 -4.760 -1.230 -7.245 1.00 10.00 N ATOM 260 CA GLN A 17 -5.585 -0.094 -6.874 1.00 10.00 C ATOM 261 C GLN A 17 -6.423 -0.432 -5.646 1.00 10.00 C ATOM 262 O GLN A 17 -7.394 -1.186 -5.729 1.00 10.00 O ATOM 263 CB GLN A 17 -6.481 0.320 -8.043 1.00 10.00 C ATOM 264 CG GLN A 17 -6.867 1.791 -8.009 1.00 10.00 C ATOM 265 CD GLN A 17 -7.726 2.218 -9.184 1.00 10.00 C ATOM 266 OE1 GLN A 17 -8.526 1.304 -9.706 1.00 10.00 O flip ATOM 267 NE2 GLN A 17 -7.673 3.371 -9.614 1.00 10.00 N flip ATOM 0 H GLN A 17 -5.278 -2.047 -7.568 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.935 0.746 -6.629 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.966 0.107 -8.980 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.386 -0.287 -8.032 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.404 1.996 -7.083 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.961 2.396 -7.993 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.042 4.047 -9.184 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.260 3.649 -10.400 1.00 10.00 H new ATOM 276 N VAL A 18 -6.036 0.117 -4.503 1.00 10.00 N ATOM 277 CA VAL A 18 -6.743 -0.136 -3.259 1.00 10.00 C ATOM 278 C VAL A 18 -7.349 1.156 -2.716 1.00 10.00 C ATOM 279 O VAL A 18 -6.678 2.191 -2.649 1.00 10.00 O ATOM 280 CB VAL A 18 -5.807 -0.759 -2.197 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.563 -1.078 -0.920 1.00 10.00 C ATOM 282 CG2 VAL A 18 -5.135 -2.012 -2.739 1.00 10.00 C ATOM 0 H VAL A 18 -5.234 0.741 -4.413 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.542 -0.846 -3.473 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.037 -0.024 -1.962 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.879 -1.515 -0.192 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.991 -0.162 -0.512 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.362 -1.786 -1.138 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.481 -2.434 -1.975 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.895 -2.744 -3.010 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.546 -1.757 -3.620 1.00 10.00 H new ATOM 292 N ASP A 19 -8.624 1.096 -2.354 1.00 10.00 N ATOM 293 CA ASP A 19 -9.330 2.253 -1.817 1.00 10.00 C ATOM 294 C ASP A 19 -8.817 2.591 -0.421 1.00 10.00 C ATOM 295 O ASP A 19 -8.460 1.700 0.350 1.00 10.00 O ATOM 296 CB ASP A 19 -10.834 1.981 -1.773 1.00 10.00 C ATOM 297 CG ASP A 19 -11.646 3.229 -1.497 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.700 3.660 -0.326 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.245 3.771 -2.447 1.00 10.00 O ATOM 0 H ASP A 19 -9.194 0.253 -2.423 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.145 3.105 -2.471 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.149 1.550 -2.723 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.042 1.239 -1.002 1.00 10.00 H new ATOM 304 N ILE A 20 -8.793 3.881 -0.099 1.00 10.00 N ATOM 305 CA ILE A 20 -8.315 4.343 1.197 1.00 10.00 C ATOM 306 C ILE A 20 -9.141 3.757 2.353 1.00 10.00 C ATOM 307 O ILE A 20 -8.615 3.534 3.445 1.00 10.00 O ATOM 308 CB ILE A 20 -8.317 5.891 1.275 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.665 6.368 2.576 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.734 6.433 1.159 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.467 7.866 2.647 1.00 10.00 C ATOM 0 H ILE A 20 -9.101 4.627 -0.722 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.290 3.988 1.300 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.733 6.274 0.438 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.282 6.052 3.417 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.698 5.878 2.688 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.713 7.521 1.216 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.163 6.128 0.205 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.342 6.039 1.973 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -7.001 8.127 3.597 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.825 8.187 1.827 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.433 8.365 2.568 1.00 10.00 H new ATOM 323 N SER A 21 -10.417 3.466 2.104 1.00 10.00 N ATOM 324 CA SER A 21 -11.279 2.916 3.139 1.00 10.00 C ATOM 325 C SER A 21 -10.964 1.442 3.390 1.00 10.00 C ATOM 326 O SER A 21 -11.335 0.884 4.425 1.00 10.00 O ATOM 327 CB SER A 21 -12.752 3.097 2.766 1.00 10.00 C ATOM 328 OG SER A 21 -13.042 2.503 1.510 1.00 10.00 O ATOM 0 H SER A 21 -10.870 3.602 1.201 1.00 10.00 H new ATOM 0 HA SER A 21 -11.088 3.463 4.062 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.382 2.651 3.536 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.993 4.159 2.733 1.00 10.00 H new ATOM 0 HG SER A 21 -12.767 3.109 0.790 1.00 10.00 H new ATOM 334 N LYS A 22 -10.272 0.813 2.445 1.00 10.00 N ATOM 335 CA LYS A 22 -9.908 -0.592 2.574 1.00 10.00 C ATOM 336 C LYS A 22 -8.581 -0.725 3.308 1.00 10.00 C ATOM 337 O LYS A 22 -8.252 -1.787 3.832 1.00 10.00 O ATOM 338 CB LYS A 22 -9.807 -1.263 1.202 1.00 10.00 C ATOM 339 CG LYS A 22 -11.143 -1.424 0.501 1.00 10.00 C ATOM 340 CD LYS A 22 -11.003 -2.251 -0.765 1.00 10.00 C ATOM 341 CE LYS A 22 -12.290 -2.270 -1.573 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.163 -3.108 -2.794 1.00 10.00 N ATOM 0 H LYS A 22 -9.953 1.254 1.583 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.690 -1.091 3.146 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.143 -0.675 0.568 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.348 -2.245 1.321 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.854 -1.902 1.174 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.548 -0.442 0.254 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.196 -1.846 -1.376 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.723 -3.271 -0.503 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.102 -2.651 -0.954 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.556 -1.252 -1.857 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.061 -3.096 -3.318 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.405 -2.730 -3.397 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.934 -4.085 -2.522 1.00 10.00 H new ATOM 356 N ILE A 23 -7.827 0.365 3.346 1.00 10.00 N ATOM 357 CA ILE A 23 -6.536 0.377 4.016 1.00 10.00 C ATOM 358 C ILE A 23 -6.728 0.349 5.527 1.00 10.00 C ATOM 359 O ILE A 23 -7.456 1.171 6.086 1.00 10.00 O ATOM 360 CB ILE A 23 -5.707 1.619 3.625 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.493 1.658 2.109 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.370 1.619 4.354 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.786 2.906 1.625 1.00 10.00 C ATOM 0 H ILE A 23 -8.089 1.254 2.919 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.991 -0.512 3.698 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.258 2.512 3.921 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.914 0.784 1.810 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.461 1.584 1.613 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.799 2.502 4.066 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.542 1.633 5.430 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.811 0.722 4.088 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.670 2.862 0.542 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.374 3.784 1.892 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.804 2.972 2.092 1.00 10.00 H new ATOM 375 N LEU A 24 -6.089 -0.611 6.181 1.00 10.00 N ATOM 376 CA LEU A 24 -6.195 -0.751 7.625 1.00 10.00 C ATOM 377 C LEU A 24 -5.045 -0.039 8.326 1.00 10.00 C ATOM 378 O LEU A 24 -5.263 0.777 9.223 1.00 10.00 O ATOM 379 CB LEU A 24 -6.205 -2.229 8.023 1.00 10.00 C ATOM 380 CG LEU A 24 -7.358 -3.057 7.451 1.00 10.00 C ATOM 381 CD1 LEU A 24 -7.147 -4.534 7.740 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.687 -2.593 8.027 1.00 10.00 C ATOM 0 H LEU A 24 -5.491 -1.305 5.733 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.133 -0.292 7.936 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -5.265 -2.679 7.705 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.238 -2.294 9.111 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.379 -2.913 6.371 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.976 -5.108 7.326 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -6.214 -4.864 7.284 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -7.099 -4.691 8.818 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.495 -3.194 7.608 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.674 -2.708 9.111 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.847 -1.545 7.775 1.00 10.00 H new ATOM 394 N SER A 25 -3.821 -0.347 7.914 1.00 10.00 N ATOM 395 CA SER A 25 -2.640 0.257 8.516 1.00 10.00 C ATOM 396 C SER A 25 -1.512 0.411 7.496 1.00 10.00 C ATOM 397 O SER A 25 -1.352 -0.422 6.604 1.00 10.00 O ATOM 398 CB SER A 25 -2.163 -0.602 9.691 1.00 10.00 C ATOM 399 OG SER A 25 -2.992 -1.745 9.862 1.00 10.00 O ATOM 0 H SER A 25 -3.621 -1.011 7.166 1.00 10.00 H new ATOM 0 HA SER A 25 -2.911 1.251 8.872 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.134 -0.918 9.520 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.166 -0.007 10.604 1.00 10.00 H new ATOM 0 HG SER A 25 -2.664 -2.277 10.617 1.00 10.00 H new ATOM 405 N VAL A 26 -0.747 1.489 7.630 1.00 10.00 N ATOM 406 CA VAL A 26 0.381 1.753 6.743 1.00 10.00 C ATOM 407 C VAL A 26 1.649 1.939 7.571 1.00 10.00 C ATOM 408 O VAL A 26 1.644 2.671 8.565 1.00 10.00 O ATOM 409 CB VAL A 26 0.149 3.012 5.870 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.359 3.302 4.989 1.00 10.00 C ATOM 411 CG2 VAL A 26 -1.098 2.850 5.017 1.00 10.00 C ATOM 0 H VAL A 26 -0.889 2.198 8.349 1.00 10.00 H new ATOM 0 HA VAL A 26 0.485 0.897 6.076 1.00 10.00 H new ATOM 0 HB VAL A 26 0.006 3.860 6.540 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.167 4.191 4.388 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.234 3.471 5.617 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.542 2.452 4.332 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.243 3.745 4.411 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.982 1.985 4.364 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.964 2.704 5.663 1.00 10.00 H new ATOM 421 N GLY A 27 2.715 1.251 7.185 1.00 10.00 N ATOM 422 CA GLY A 27 3.965 1.362 7.906 1.00 10.00 C ATOM 423 C GLY A 27 5.151 1.540 6.983 1.00 10.00 C ATOM 424 O GLY A 27 5.374 0.736 6.074 1.00 10.00 O ATOM 0 H GLY A 27 2.735 0.618 6.385 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.912 2.208 8.592 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.112 0.469 8.513 1.00 10.00 H new ATOM 428 N ARG A 28 5.920 2.592 7.211 1.00 10.00 N ATOM 429 CA ARG A 28 7.082 2.866 6.386 1.00 10.00 C ATOM 430 C ARG A 28 8.348 2.338 7.050 1.00 10.00 C ATOM 431 O ARG A 28 8.787 2.849 8.084 1.00 10.00 O ATOM 432 CB ARG A 28 7.217 4.366 6.111 1.00 10.00 C ATOM 433 CG ARG A 28 8.490 4.731 5.364 1.00 10.00 C ATOM 434 CD ARG A 28 8.507 6.196 4.978 1.00 10.00 C ATOM 435 NE ARG A 28 9.833 6.633 4.544 1.00 10.00 N ATOM 436 CZ ARG A 28 10.479 7.677 5.061 1.00 10.00 C ATOM 437 NH1 ARG A 28 9.925 8.401 6.027 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.670 8.008 4.585 1.00 10.00 N ATOM 0 H ARG A 28 5.760 3.268 7.958 1.00 10.00 H new ATOM 0 HA ARG A 28 6.946 2.353 5.434 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.356 4.701 5.532 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.193 4.905 7.058 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.356 4.508 5.988 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.576 4.117 4.468 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.788 6.368 4.177 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.187 6.799 5.828 1.00 10.00 H new ATOM 0 HE ARG A 28 10.291 6.107 3.800 1.00 10.00 H new ATOM 0 HH11 ARG A 28 8.998 8.159 6.378 1.00 10.00 H new ATOM 0 HH12 ARG A 28 10.426 9.199 6.418 1.00 10.00 H new ATOM 0 HH21 ARG A 28 12.086 7.465 3.828 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.171 8.806 4.975 1.00 10.00 H new ATOM 452 N TYR A 29 8.936 1.316 6.449 1.00 10.00 N ATOM 453 CA TYR A 29 10.152 0.719 6.972 1.00 10.00 C ATOM 454 C TYR A 29 11.363 1.326 6.275 1.00 10.00 C ATOM 455 O TYR A 29 12.199 0.620 5.712 1.00 10.00 O ATOM 456 CB TYR A 29 10.125 -0.800 6.776 1.00 10.00 C ATOM 457 CG TYR A 29 10.496 -1.576 8.017 1.00 10.00 C ATOM 458 CD1 TYR A 29 9.641 -1.619 9.110 1.00 10.00 C ATOM 459 CD2 TYR A 29 11.700 -2.263 8.097 1.00 10.00 C ATOM 460 CE1 TYR A 29 9.975 -2.322 10.251 1.00 10.00 C ATOM 461 CE2 TYR A 29 12.042 -2.971 9.234 1.00 10.00 C ATOM 462 CZ TYR A 29 11.175 -2.996 10.309 1.00 10.00 C ATOM 463 OH TYR A 29 11.514 -3.694 11.448 1.00 10.00 O ATOM 0 H TYR A 29 8.588 0.882 5.594 1.00 10.00 H new ATOM 0 HA TYR A 29 10.220 0.925 8.040 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.127 -1.099 6.455 1.00 10.00 H new ATOM 0 HB3 TYR A 29 10.811 -1.067 5.972 1.00 10.00 H new ATOM 0 HD1 TYR A 29 8.698 -1.094 9.067 1.00 10.00 H new ATOM 0 HD2 TYR A 29 12.380 -2.244 7.258 1.00 10.00 H new ATOM 0 HE1 TYR A 29 9.299 -2.343 11.093 1.00 10.00 H new ATOM 0 HE2 TYR A 29 12.982 -3.501 9.281 1.00 10.00 H new ATOM 0 HH TYR A 29 12.391 -4.114 11.326 1.00 10.00 H new ATOM 473 N GLY A 30 11.441 2.647 6.312 1.00 10.00 N ATOM 474 CA GLY A 30 12.537 3.344 5.684 1.00 10.00 C ATOM 475 C GLY A 30 12.340 3.503 4.192 1.00 10.00 C ATOM 476 O GLY A 30 11.512 4.299 3.746 1.00 10.00 O ATOM 0 H GLY A 30 10.758 3.250 6.770 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.647 4.328 6.140 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.464 2.801 5.870 1.00 10.00 H new ATOM 480 N LYS A 31 13.092 2.731 3.425 1.00 10.00 N ATOM 481 CA LYS A 31 13.023 2.789 1.972 1.00 10.00 C ATOM 482 C LYS A 31 11.842 1.994 1.435 1.00 10.00 C ATOM 483 O LYS A 31 11.314 2.299 0.366 1.00 10.00 O ATOM 484 CB LYS A 31 14.327 2.266 1.362 1.00 10.00 C ATOM 485 CG LYS A 31 15.502 3.209 1.555 1.00 10.00 C ATOM 486 CD LYS A 31 15.371 4.429 0.664 1.00 10.00 C ATOM 487 CE LYS A 31 16.085 5.635 1.246 1.00 10.00 C ATOM 488 NZ LYS A 31 15.795 6.865 0.462 1.00 10.00 N ATOM 0 H LYS A 31 13.762 2.052 3.786 1.00 10.00 H new ATOM 0 HA LYS A 31 12.882 3.832 1.687 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.567 1.301 1.809 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.178 2.096 0.296 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.556 3.520 2.598 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.432 2.688 1.330 1.00 10.00 H new ATOM 0 HD2 LYS A 31 15.781 4.205 -0.321 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.316 4.665 0.524 1.00 10.00 H new ATOM 0 HE2 LYS A 31 15.775 5.779 2.281 1.00 10.00 H new ATOM 0 HE3 LYS A 31 17.160 5.453 1.258 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 15.833 7.694 1.089 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 16.502 6.970 -0.294 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 14.847 6.793 0.041 1.00 10.00 H new ATOM 502 N LEU A 32 11.423 0.984 2.178 1.00 10.00 N ATOM 503 CA LEU A 32 10.311 0.147 1.756 1.00 10.00 C ATOM 504 C LEU A 32 9.083 0.390 2.622 1.00 10.00 C ATOM 505 O LEU A 32 9.128 0.253 3.843 1.00 10.00 O ATOM 506 CB LEU A 32 10.716 -1.328 1.802 1.00 10.00 C ATOM 507 CG LEU A 32 11.522 -1.827 0.594 1.00 10.00 C ATOM 508 CD1 LEU A 32 12.053 -3.227 0.856 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.668 -1.809 -0.665 1.00 10.00 C ATOM 0 H LEU A 32 11.834 0.723 3.074 1.00 10.00 H new ATOM 0 HA LEU A 32 10.054 0.411 0.730 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.303 -1.498 2.705 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.813 -1.933 1.890 1.00 10.00 H new ATOM 0 HG LEU A 32 12.368 -1.156 0.443 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.622 -3.568 -0.009 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.700 -3.213 1.733 1.00 10.00 H new ATOM 0 HD13 LEU A 32 11.218 -3.906 1.031 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.257 -2.166 -1.510 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.802 -2.457 -0.527 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.332 -0.791 -0.862 1.00 10.00 H new ATOM 521 N ILE A 33 7.988 0.760 1.984 1.00 10.00 N ATOM 522 CA ILE A 33 6.739 1.025 2.687 1.00 10.00 C ATOM 523 C ILE A 33 5.791 -0.155 2.525 1.00 10.00 C ATOM 524 O ILE A 33 5.489 -0.559 1.409 1.00 10.00 O ATOM 525 CB ILE A 33 6.050 2.298 2.148 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.064 3.433 1.999 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.906 2.717 3.063 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.600 4.547 1.086 1.00 10.00 C ATOM 0 H ILE A 33 7.935 0.885 0.973 1.00 10.00 H new ATOM 0 HA ILE A 33 6.977 1.174 3.740 1.00 10.00 H new ATOM 0 HB ILE A 33 5.636 2.075 1.164 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.279 3.848 2.984 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.999 3.025 1.614 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.433 3.616 2.666 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.171 1.914 3.117 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.294 2.922 4.061 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.371 5.316 1.029 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.413 4.147 0.090 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.682 4.982 1.481 1.00 10.00 H new ATOM 540 N HIS A 34 5.323 -0.702 3.635 1.00 10.00 N ATOM 541 CA HIS A 34 4.415 -1.839 3.595 1.00 10.00 C ATOM 542 C HIS A 34 3.064 -1.452 4.185 1.00 10.00 C ATOM 543 O HIS A 34 2.994 -0.800 5.226 1.00 10.00 O ATOM 544 CB HIS A 34 5.023 -3.026 4.356 1.00 10.00 C ATOM 545 CG HIS A 34 4.187 -4.268 4.326 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.181 -5.176 3.288 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.315 -4.752 5.246 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.326 -6.153 3.601 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.774 -5.946 4.777 1.00 10.00 N ATOM 0 H HIS A 34 5.556 -0.379 4.574 1.00 10.00 H new ATOM 0 HA HIS A 34 4.263 -2.138 2.558 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.002 -3.251 3.934 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.183 -2.734 5.394 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.078 -4.286 6.191 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.115 -7.004 2.970 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.090 -6.538 5.248 1.00 10.00 H new ATOM 557 N PHE A 35 1.992 -1.844 3.514 1.00 10.00 N ATOM 558 CA PHE A 35 0.657 -1.521 3.983 1.00 10.00 C ATOM 559 C PHE A 35 -0.203 -2.771 4.086 1.00 10.00 C ATOM 560 O PHE A 35 -0.002 -3.749 3.357 1.00 10.00 O ATOM 561 CB PHE A 35 -0.011 -0.491 3.062 1.00 10.00 C ATOM 562 CG PHE A 35 -0.373 -1.018 1.699 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.649 -1.495 1.441 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.563 -1.038 0.678 1.00 10.00 C ATOM 565 CE1 PHE A 35 -1.984 -1.978 0.194 1.00 10.00 C ATOM 566 CE2 PHE A 35 0.232 -1.521 -0.573 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.043 -1.994 -0.813 1.00 10.00 C ATOM 0 H PHE A 35 2.021 -2.383 2.648 1.00 10.00 H new ATOM 0 HA PHE A 35 0.751 -1.087 4.978 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.914 -0.120 3.546 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.659 0.360 2.943 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.390 -1.488 2.227 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.562 -0.672 0.862 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -2.983 -2.343 0.006 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.969 -1.529 -1.362 1.00 10.00 H new ATOM 0 HZ PHE A 35 -1.303 -2.376 -1.789 1.00 10.00 H new ATOM 577 N LEU A 36 -1.152 -2.729 5.004 1.00 10.00 N ATOM 578 CA LEU A 36 -2.073 -3.829 5.225 1.00 10.00 C ATOM 579 C LEU A 36 -3.490 -3.352 4.935 1.00 10.00 C ATOM 580 O LEU A 36 -3.960 -2.380 5.532 1.00 10.00 O ATOM 581 CB LEU A 36 -1.964 -4.327 6.668 1.00 10.00 C ATOM 582 CG LEU A 36 -0.551 -4.709 7.119 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.462 -4.730 8.636 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.156 -6.061 6.550 1.00 10.00 C ATOM 0 H LEU A 36 -1.306 -1.929 5.618 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.824 -4.656 4.560 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.344 -3.551 7.333 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.613 -5.194 6.787 1.00 10.00 H new ATOM 0 HG LEU A 36 0.142 -3.958 6.741 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.549 -5.003 8.937 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -0.703 -3.742 9.028 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.168 -5.460 9.032 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.851 -6.315 6.881 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -0.855 -6.821 6.899 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.180 -6.018 5.461 1.00 10.00 H new ATOM 596 N TYR A 37 -4.165 -4.017 4.012 1.00 10.00 N ATOM 597 CA TYR A 37 -5.518 -3.629 3.648 1.00 10.00 C ATOM 598 C TYR A 37 -6.490 -4.781 3.846 1.00 10.00 C ATOM 599 O TYR A 37 -6.088 -5.942 3.873 1.00 10.00 O ATOM 600 CB TYR A 37 -5.567 -3.136 2.194 1.00 10.00 C ATOM 601 CG TYR A 37 -5.450 -4.233 1.151 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.584 -4.805 0.588 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.207 -4.693 0.729 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.487 -5.802 -0.364 1.00 10.00 C ATOM 605 CE2 TYR A 37 -4.101 -5.690 -0.224 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.244 -6.242 -0.767 1.00 10.00 C ATOM 607 OH TYR A 37 -5.143 -7.239 -1.711 1.00 10.00 O ATOM 0 H TYR A 37 -3.801 -4.823 3.504 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.819 -2.813 4.305 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.504 -2.601 2.037 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.761 -2.419 2.040 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.560 -4.464 0.900 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.310 -4.265 1.152 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.380 -6.234 -0.790 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -3.128 -6.035 -0.542 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.326 -7.757 -1.553 1.00 10.00 H new ATOM 617 N ASP A 38 -7.761 -4.447 3.993 1.00 10.00 N ATOM 618 CA ASP A 38 -8.799 -5.450 4.177 1.00 10.00 C ATOM 619 C ASP A 38 -9.295 -5.917 2.819 1.00 10.00 C ATOM 620 O ASP A 38 -9.702 -5.104 1.988 1.00 10.00 O ATOM 621 CB ASP A 38 -9.963 -4.884 4.995 1.00 10.00 C ATOM 622 CG ASP A 38 -11.026 -5.925 5.290 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.748 -6.852 6.079 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.145 -5.811 4.746 1.00 10.00 O ATOM 0 H ASP A 38 -8.101 -3.485 3.989 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.379 -6.295 4.723 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.582 -4.483 5.934 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.414 -4.053 4.453 1.00 10.00 H new ATOM 629 N LEU A 39 -9.258 -7.216 2.590 1.00 10.00 N ATOM 630 CA LEU A 39 -9.689 -7.772 1.318 1.00 10.00 C ATOM 631 C LEU A 39 -11.170 -8.119 1.356 1.00 10.00 C ATOM 632 O LEU A 39 -11.929 -7.769 0.448 1.00 10.00 O ATOM 633 CB LEU A 39 -8.859 -9.008 0.984 1.00 10.00 C ATOM 634 CG LEU A 39 -8.951 -9.482 -0.464 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.562 -9.695 -1.038 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.772 -10.759 -0.554 1.00 10.00 C ATOM 0 H LEU A 39 -8.934 -7.907 3.267 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.537 -7.023 0.540 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.815 -8.798 1.215 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.172 -9.823 1.637 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.452 -8.713 -1.052 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -7.643 -10.033 -2.071 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.007 -8.757 -1.005 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.037 -10.448 -0.450 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -9.828 -11.083 -1.593 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.300 -11.538 0.044 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.778 -10.572 -0.178 1.00 10.00 H new ATOM 648 N GLY A 40 -11.574 -8.815 2.407 1.00 10.00 N ATOM 649 CA GLY A 40 -12.959 -9.199 2.549 1.00 10.00 C ATOM 650 C GLY A 40 -13.112 -10.684 2.792 1.00 10.00 C ATOM 651 O GLY A 40 -12.187 -11.462 2.541 1.00 10.00 O ATOM 0 H GLY A 40 -10.964 -9.121 3.165 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.405 -8.648 3.377 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.507 -8.920 1.649 1.00 10.00 H new ATOM 655 N GLY A 41 -14.274 -11.078 3.288 1.00 10.00 N ATOM 656 CA GLY A 41 -14.535 -12.475 3.566 1.00 10.00 C ATOM 657 C GLY A 41 -13.859 -12.944 4.835 1.00 10.00 C ATOM 658 O GLY A 41 -13.752 -14.146 5.085 1.00 10.00 O ATOM 0 H GLY A 41 -15.048 -10.449 3.505 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.610 -12.631 3.651 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -14.190 -13.081 2.728 1.00 10.00 H new ATOM 662 N GLY A 42 -13.398 -11.993 5.634 1.00 10.00 N ATOM 663 CA GLY A 42 -12.733 -12.328 6.872 1.00 10.00 C ATOM 664 C GLY A 42 -11.229 -12.407 6.716 1.00 10.00 C ATOM 665 O GLY A 42 -10.524 -12.755 7.663 1.00 10.00 O ATOM 0 H GLY A 42 -13.474 -10.994 5.445 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.979 -11.581 7.627 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -13.109 -13.284 7.236 1.00 10.00 H new ATOM 669 N LYS A 43 -10.734 -12.095 5.523 1.00 10.00 N ATOM 670 CA LYS A 43 -9.302 -12.134 5.266 1.00 10.00 C ATOM 671 C LYS A 43 -8.811 -10.782 4.761 1.00 10.00 C ATOM 672 O LYS A 43 -9.573 -10.010 4.168 1.00 10.00 O ATOM 673 CB LYS A 43 -8.952 -13.248 4.270 1.00 10.00 C ATOM 674 CG LYS A 43 -9.202 -12.895 2.810 1.00 10.00 C ATOM 675 CD LYS A 43 -9.056 -14.111 1.907 1.00 10.00 C ATOM 676 CE LYS A 43 -7.625 -14.643 1.889 1.00 10.00 C ATOM 677 NZ LYS A 43 -6.613 -13.558 1.754 1.00 10.00 N ATOM 0 H LYS A 43 -11.301 -11.814 4.723 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.795 -12.354 6.206 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.901 -13.509 4.392 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -9.532 -14.136 4.520 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -10.204 -12.479 2.702 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.500 -12.122 2.497 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.731 -14.897 2.246 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -9.357 -13.848 0.893 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -7.436 -15.199 2.807 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.512 -15.345 1.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -5.798 -13.909 1.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -7.037 -12.748 1.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -6.297 -13.259 2.698 1.00 10.00 H new ATOM 691 N ALA A 44 -7.545 -10.499 5.001 1.00 10.00 N ATOM 692 CA ALA A 44 -6.952 -9.244 4.582 1.00 10.00 C ATOM 693 C ALA A 44 -5.866 -9.478 3.539 1.00 10.00 C ATOM 694 O ALA A 44 -5.638 -10.613 3.114 1.00 10.00 O ATOM 695 CB ALA A 44 -6.388 -8.514 5.793 1.00 10.00 C ATOM 0 H ALA A 44 -6.904 -11.126 5.487 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.724 -8.626 4.124 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -5.943 -7.571 5.475 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.190 -8.315 6.504 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.627 -9.132 6.269 1.00 10.00 H new ATOM 701 N GLY A 45 -5.224 -8.398 3.123 1.00 10.00 N ATOM 702 CA GLY A 45 -4.162 -8.475 2.143 1.00 10.00 C ATOM 703 C GLY A 45 -3.002 -7.591 2.541 1.00 10.00 C ATOM 704 O GLY A 45 -3.044 -6.958 3.600 1.00 10.00 O ATOM 0 H GLY A 45 -5.424 -7.454 3.453 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.823 -9.507 2.047 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.539 -8.171 1.166 1.00 10.00 H new ATOM 708 N MET A 46 -1.978 -7.517 1.705 1.00 10.00 N ATOM 709 CA MET A 46 -0.811 -6.701 2.016 1.00 10.00 C ATOM 710 C MET A 46 -0.024 -6.354 0.756 1.00 10.00 C ATOM 711 O MET A 46 -0.215 -6.967 -0.294 1.00 10.00 O ATOM 712 CB MET A 46 0.097 -7.428 3.013 1.00 10.00 C ATOM 713 CG MET A 46 0.741 -8.688 2.456 1.00 10.00 C ATOM 714 SD MET A 46 1.676 -9.595 3.701 1.00 10.00 S ATOM 715 CE MET A 46 2.371 -10.908 2.700 1.00 10.00 C ATOM 0 H MET A 46 -1.929 -8.007 0.812 1.00 10.00 H new ATOM 0 HA MET A 46 -1.165 -5.772 2.463 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.881 -6.745 3.340 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.486 -7.690 3.896 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.033 -9.336 2.044 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.403 -8.420 1.633 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.284 -11.277 3.167 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.651 -11.722 2.617 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.601 -10.525 1.706 1.00 10.00 H new ATOM 725 N GLY A 47 0.846 -5.360 0.869 1.00 10.00 N ATOM 726 CA GLY A 47 1.663 -4.942 -0.254 1.00 10.00 C ATOM 727 C GLY A 47 2.767 -4.001 0.179 1.00 10.00 C ATOM 728 O GLY A 47 2.630 -3.307 1.190 1.00 10.00 O ATOM 0 H GLY A 47 1.002 -4.831 1.727 1.00 10.00 H new ATOM 0 HA2 GLY A 47 2.099 -5.818 -0.734 1.00 10.00 H new ATOM 0 HA3 GLY A 47 1.036 -4.450 -0.998 1.00 10.00 H new ATOM 732 N MET A 48 3.862 -3.983 -0.562 1.00 10.00 N ATOM 733 CA MET A 48 4.985 -3.118 -0.236 1.00 10.00 C ATOM 734 C MET A 48 5.446 -2.324 -1.459 1.00 10.00 C ATOM 735 O MET A 48 5.581 -2.871 -2.556 1.00 10.00 O ATOM 736 CB MET A 48 6.131 -3.960 0.321 1.00 10.00 C ATOM 737 CG MET A 48 7.339 -3.162 0.774 1.00 10.00 C ATOM 738 SD MET A 48 8.489 -4.150 1.755 1.00 10.00 S ATOM 739 CE MET A 48 8.412 -5.720 0.892 1.00 10.00 C ATOM 0 H MET A 48 3.998 -4.557 -1.394 1.00 10.00 H new ATOM 0 HA MET A 48 4.665 -2.400 0.519 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.760 -4.543 1.164 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.447 -4.670 -0.443 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.858 -2.766 -0.099 1.00 10.00 H new ATOM 0 HG3 MET A 48 7.006 -2.307 1.362 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.258 -6.340 1.188 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.483 -6.230 1.146 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.448 -5.546 -0.183 1.00 10.00 H new ATOM 749 N VAL A 49 5.688 -1.039 -1.254 1.00 10.00 N ATOM 750 CA VAL A 49 6.130 -0.145 -2.312 1.00 10.00 C ATOM 751 C VAL A 49 7.294 0.714 -1.805 1.00 10.00 C ATOM 752 O VAL A 49 7.389 0.986 -0.612 1.00 10.00 O ATOM 753 CB VAL A 49 4.961 0.749 -2.793 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.503 1.698 -1.696 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.338 1.517 -4.048 1.00 10.00 C ATOM 0 H VAL A 49 5.583 -0.586 -0.346 1.00 10.00 H new ATOM 0 HA VAL A 49 6.470 -0.738 -3.161 1.00 10.00 H new ATOM 0 HB VAL A 49 4.126 0.092 -3.037 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.681 2.312 -2.065 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.167 1.122 -0.834 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.332 2.341 -1.402 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.498 2.136 -4.362 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.199 2.152 -3.841 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.588 0.815 -4.843 1.00 10.00 H new ATOM 765 N SER A 50 8.188 1.118 -2.692 1.00 10.00 N ATOM 766 CA SER A 50 9.331 1.929 -2.292 1.00 10.00 C ATOM 767 C SER A 50 9.018 3.415 -2.436 1.00 10.00 C ATOM 768 O SER A 50 7.996 3.785 -3.015 1.00 10.00 O ATOM 769 CB SER A 50 10.541 1.582 -3.154 1.00 10.00 C ATOM 770 OG SER A 50 10.393 2.106 -4.462 1.00 10.00 O ATOM 0 H SER A 50 8.147 0.901 -3.688 1.00 10.00 H new ATOM 0 HA SER A 50 9.551 1.716 -1.246 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.446 1.983 -2.697 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.661 0.500 -3.202 1.00 10.00 H new ATOM 0 HG SER A 50 10.259 1.371 -5.096 1.00 10.00 H new ATOM 776 N GLU A 51 9.908 4.266 -1.927 1.00 10.00 N ATOM 777 CA GLU A 51 9.719 5.711 -2.026 1.00 10.00 C ATOM 778 C GLU A 51 9.893 6.166 -3.469 1.00 10.00 C ATOM 779 O GLU A 51 9.388 7.214 -3.868 1.00 10.00 O ATOM 780 CB GLU A 51 10.724 6.463 -1.153 1.00 10.00 C ATOM 781 CG GLU A 51 11.003 5.826 0.198 1.00 10.00 C ATOM 782 CD GLU A 51 12.055 6.594 0.967 1.00 10.00 C ATOM 783 OE1 GLU A 51 13.135 6.863 0.396 1.00 10.00 O ATOM 784 OE2 GLU A 51 11.806 6.950 2.131 1.00 10.00 O ATOM 0 H GLU A 51 10.761 3.982 -1.445 1.00 10.00 H new ATOM 0 HA GLU A 51 8.710 5.934 -1.680 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.664 6.549 -1.699 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.356 7.476 -0.991 1.00 10.00 H new ATOM 0 HG2 GLU A 51 10.082 5.786 0.780 1.00 10.00 H new ATOM 0 HG3 GLU A 51 11.334 4.797 0.055 1.00 10.00 H new ATOM 791 N LYS A 52 10.617 5.368 -4.242 1.00 10.00 N ATOM 792 CA LYS A 52 10.874 5.681 -5.638 1.00 10.00 C ATOM 793 C LYS A 52 9.697 5.270 -6.508 1.00 10.00 C ATOM 794 O LYS A 52 9.448 5.865 -7.555 1.00 10.00 O ATOM 795 CB LYS A 52 12.142 4.973 -6.117 1.00 10.00 C ATOM 796 CG LYS A 52 13.414 5.488 -5.471 1.00 10.00 C ATOM 797 CD LYS A 52 14.636 4.777 -6.024 1.00 10.00 C ATOM 798 CE LYS A 52 15.918 5.359 -5.454 1.00 10.00 C ATOM 799 NZ LYS A 52 17.118 4.900 -6.198 1.00 10.00 N ATOM 0 H LYS A 52 11.038 4.496 -3.922 1.00 10.00 H new ATOM 0 HA LYS A 52 11.012 6.759 -5.723 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.049 3.906 -5.914 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.223 5.086 -7.198 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.505 6.560 -5.644 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.362 5.342 -4.392 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.580 3.715 -5.787 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.648 4.861 -7.111 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.867 6.447 -5.485 1.00 10.00 H new ATOM 0 HE3 LYS A 52 16.011 5.074 -4.406 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.970 5.321 -5.776 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.182 3.863 -6.147 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.043 5.194 -7.193 1.00 10.00 H new ATOM 813 N ASP A 53 8.978 4.246 -6.075 1.00 10.00 N ATOM 814 CA ASP A 53 7.828 3.752 -6.827 1.00 10.00 C ATOM 815 C ASP A 53 6.561 4.499 -6.435 1.00 10.00 C ATOM 816 O ASP A 53 5.584 4.520 -7.185 1.00 10.00 O ATOM 817 CB ASP A 53 7.636 2.249 -6.605 1.00 10.00 C ATOM 818 CG ASP A 53 8.728 1.416 -7.245 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.890 1.481 -8.482 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.434 0.692 -6.509 1.00 10.00 O ATOM 0 H ASP A 53 9.167 3.740 -5.210 1.00 10.00 H new ATOM 0 HA ASP A 53 8.024 3.928 -7.885 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.610 2.045 -5.535 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.670 1.947 -7.010 1.00 10.00 H new ATOM 825 N ALA A 54 6.586 5.121 -5.263 1.00 10.00 N ATOM 826 CA ALA A 54 5.441 5.869 -4.767 1.00 10.00 C ATOM 827 C ALA A 54 5.662 7.372 -4.916 1.00 10.00 C ATOM 828 O ALA A 54 6.477 7.959 -4.202 1.00 10.00 O ATOM 829 CB ALA A 54 5.166 5.516 -3.312 1.00 10.00 C ATOM 0 H ALA A 54 7.391 5.121 -4.637 1.00 10.00 H new ATOM 0 HA ALA A 54 4.572 5.593 -5.365 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.307 6.084 -2.956 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.956 4.450 -3.230 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.039 5.761 -2.707 1.00 10.00 H new ATOM 835 N PRO A 55 4.940 8.012 -5.849 1.00 10.00 N ATOM 836 CA PRO A 55 5.047 9.458 -6.089 1.00 10.00 C ATOM 837 C PRO A 55 4.643 10.278 -4.864 1.00 10.00 C ATOM 838 O PRO A 55 3.920 9.790 -3.995 1.00 10.00 O ATOM 839 CB PRO A 55 4.066 9.709 -7.239 1.00 10.00 C ATOM 840 CG PRO A 55 3.825 8.379 -7.859 1.00 10.00 C ATOM 841 CD PRO A 55 3.969 7.378 -6.752 1.00 10.00 C ATOM 0 HA PRO A 55 6.071 9.755 -6.314 1.00 10.00 H new ATOM 0 HB2 PRO A 55 3.136 10.145 -6.873 1.00 10.00 H new ATOM 0 HB3 PRO A 55 4.482 10.409 -7.963 1.00 10.00 H new ATOM 0 HG2 PRO A 55 2.831 8.330 -8.304 1.00 10.00 H new ATOM 0 HG3 PRO A 55 4.541 8.184 -8.657 1.00 10.00 H new ATOM 0 HD2 PRO A 55 3.018 7.190 -6.253 1.00 10.00 H new ATOM 0 HD3 PRO A 55 4.330 6.418 -7.122 1.00 10.00 H new ATOM 849 N LYS A 56 5.085 11.534 -4.821 1.00 10.00 N ATOM 850 CA LYS A 56 4.793 12.430 -3.696 1.00 10.00 C ATOM 851 C LYS A 56 3.292 12.564 -3.443 1.00 10.00 C ATOM 852 O LYS A 56 2.854 12.620 -2.293 1.00 10.00 O ATOM 853 CB LYS A 56 5.397 13.816 -3.949 1.00 10.00 C ATOM 854 CG LYS A 56 6.905 13.805 -4.128 1.00 10.00 C ATOM 855 CD LYS A 56 7.477 15.208 -4.070 1.00 10.00 C ATOM 856 CE LYS A 56 8.955 15.226 -4.428 1.00 10.00 C ATOM 857 NZ LYS A 56 9.174 15.010 -5.885 1.00 10.00 N ATOM 0 H LYS A 56 5.650 11.959 -5.556 1.00 10.00 H new ATOM 0 HA LYS A 56 5.244 11.988 -2.808 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.938 14.245 -4.840 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.144 14.470 -3.114 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.361 13.192 -3.351 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.156 13.347 -5.084 1.00 10.00 H new ATOM 0 HD2 LYS A 56 6.928 15.854 -4.756 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.340 15.616 -3.069 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.389 16.181 -4.133 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.475 14.452 -3.864 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.174 15.180 -6.115 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 8.923 14.032 -6.132 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 8.578 15.668 -6.427 1.00 10.00 H new ATOM 871 N GLU A 57 2.514 12.601 -4.520 1.00 10.00 N ATOM 872 CA GLU A 57 1.065 12.729 -4.420 1.00 10.00 C ATOM 873 C GLU A 57 0.473 11.573 -3.612 1.00 10.00 C ATOM 874 O GLU A 57 -0.375 11.776 -2.742 1.00 10.00 O ATOM 875 CB GLU A 57 0.441 12.776 -5.818 1.00 10.00 C ATOM 876 CG GLU A 57 -1.080 12.802 -5.808 1.00 10.00 C ATOM 877 CD GLU A 57 -1.676 13.108 -7.166 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.568 12.259 -8.075 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.273 14.192 -7.321 1.00 10.00 O ATOM 0 H GLU A 57 2.865 12.544 -5.476 1.00 10.00 H new ATOM 0 HA GLU A 57 0.837 13.660 -3.901 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.807 13.660 -6.340 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.777 11.908 -6.386 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.452 11.837 -5.463 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.420 13.549 -5.091 1.00 10.00 H new ATOM 886 N LEU A 58 0.951 10.368 -3.882 1.00 10.00 N ATOM 887 CA LEU A 58 0.466 9.184 -3.188 1.00 10.00 C ATOM 888 C LEU A 58 1.164 9.024 -1.843 1.00 10.00 C ATOM 889 O LEU A 58 0.574 8.528 -0.885 1.00 10.00 O ATOM 890 CB LEU A 58 0.673 7.936 -4.052 1.00 10.00 C ATOM 891 CG LEU A 58 0.121 8.033 -5.478 1.00 10.00 C ATOM 892 CD1 LEU A 58 0.240 6.700 -6.192 1.00 10.00 C ATOM 893 CD2 LEU A 58 -1.327 8.495 -5.465 1.00 10.00 C ATOM 0 H LEU A 58 1.675 10.184 -4.577 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.602 9.306 -3.006 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.741 7.724 -4.106 1.00 10.00 H new ATOM 0 HB3 LEU A 58 0.204 7.087 -3.555 1.00 10.00 H new ATOM 0 HG LEU A 58 0.714 8.770 -6.019 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.158 6.792 -7.203 1.00 10.00 H new ATOM 0 HD12 LEU A 58 1.288 6.405 -6.240 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.325 5.944 -5.647 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -1.698 8.557 -6.488 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -1.931 7.783 -4.902 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -1.391 9.477 -4.996 1.00 10.00 H new ATOM 905 N LEU A 59 2.418 9.463 -1.776 1.00 10.00 N ATOM 906 CA LEU A 59 3.208 9.384 -0.550 1.00 10.00 C ATOM 907 C LEU A 59 2.536 10.174 0.569 1.00 10.00 C ATOM 908 O LEU A 59 2.501 9.740 1.721 1.00 10.00 O ATOM 909 CB LEU A 59 4.622 9.924 -0.801 1.00 10.00 C ATOM 910 CG LEU A 59 5.681 9.493 0.217 1.00 10.00 C ATOM 911 CD1 LEU A 59 6.073 8.041 -0.001 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.901 10.394 0.125 1.00 10.00 C ATOM 0 H LEU A 59 2.913 9.881 -2.564 1.00 10.00 H new ATOM 0 HA LEU A 59 3.275 8.340 -0.245 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.944 9.604 -1.792 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.579 11.013 -0.816 1.00 10.00 H new ATOM 0 HG LEU A 59 5.256 9.586 1.217 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.827 7.754 0.732 1.00 10.00 H new ATOM 0 HD12 LEU A 59 5.195 7.406 0.113 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.479 7.921 -1.005 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.645 10.075 0.855 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.325 10.331 -0.877 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.609 11.424 0.331 1.00 10.00 H new ATOM 924 N GLN A 60 1.986 11.328 0.212 1.00 10.00 N ATOM 925 CA GLN A 60 1.300 12.183 1.169 1.00 10.00 C ATOM 926 C GLN A 60 0.060 11.479 1.718 1.00 10.00 C ATOM 927 O GLN A 60 -0.327 11.679 2.867 1.00 10.00 O ATOM 928 CB GLN A 60 0.909 13.507 0.508 1.00 10.00 C ATOM 929 CG GLN A 60 0.556 14.607 1.498 1.00 10.00 C ATOM 930 CD GLN A 60 1.614 14.787 2.570 1.00 10.00 C ATOM 931 OE1 GLN A 60 1.531 14.198 3.648 1.00 10.00 O ATOM 932 NE2 GLN A 60 2.620 15.597 2.283 1.00 10.00 N ATOM 0 H GLN A 60 2.003 11.694 -0.740 1.00 10.00 H new ATOM 0 HA GLN A 60 1.976 12.391 1.998 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.733 13.846 -0.119 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.057 13.336 -0.150 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.425 15.546 0.961 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.398 14.374 1.970 1.00 10.00 H new ATOM 0 HE21 GLN A 60 2.654 16.067 1.379 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.362 15.751 2.966 1.00 10.00 H new ATOM 941 N MET A 61 -0.553 10.642 0.888 1.00 10.00 N ATOM 942 CA MET A 61 -1.745 9.904 1.288 1.00 10.00 C ATOM 943 C MET A 61 -1.368 8.773 2.241 1.00 10.00 C ATOM 944 O MET A 61 -2.170 8.360 3.078 1.00 10.00 O ATOM 945 CB MET A 61 -2.463 9.337 0.059 1.00 10.00 C ATOM 946 CG MET A 61 -2.870 10.394 -0.955 1.00 10.00 C ATOM 947 SD MET A 61 -3.632 9.691 -2.434 1.00 10.00 S ATOM 948 CE MET A 61 -5.251 9.256 -1.805 1.00 10.00 C ATOM 0 H MET A 61 -0.244 10.458 -0.066 1.00 10.00 H new ATOM 0 HA MET A 61 -2.420 10.589 1.800 1.00 10.00 H new ATOM 0 HB2 MET A 61 -1.812 8.611 -0.428 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.353 8.798 0.386 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.568 11.089 -0.488 1.00 10.00 H new ATOM 0 HG3 MET A 61 -1.991 10.971 -1.244 1.00 10.00 H new ATOM 0 HE1 MET A 61 -5.855 8.841 -2.612 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.146 8.516 -1.012 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.738 10.146 -1.408 1.00 10.00 H new ATOM 958 N LEU A 62 -0.142 8.282 2.114 1.00 10.00 N ATOM 959 CA LEU A 62 0.345 7.203 2.966 1.00 10.00 C ATOM 960 C LEU A 62 0.562 7.707 4.384 1.00 10.00 C ATOM 961 O LEU A 62 0.289 7.000 5.354 1.00 10.00 O ATOM 962 CB LEU A 62 1.652 6.627 2.417 1.00 10.00 C ATOM 963 CG LEU A 62 1.615 6.198 0.949 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.942 5.584 0.535 1.00 10.00 C ATOM 965 CD2 LEU A 62 0.477 5.222 0.707 1.00 10.00 C ATOM 0 H LEU A 62 0.535 8.614 1.428 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.407 6.414 2.978 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.438 7.372 2.540 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.932 5.765 3.023 1.00 10.00 H new ATOM 0 HG LEU A 62 1.444 7.085 0.338 1.00 10.00 H new ATOM 0 HD11 LEU A 62 2.894 5.286 -0.512 1.00 10.00 H new ATOM 0 HD12 LEU A 62 3.739 6.316 0.668 1.00 10.00 H new ATOM 0 HD13 LEU A 62 3.146 4.709 1.152 1.00 10.00 H new ATOM 0 HD21 LEU A 62 0.467 4.928 -0.343 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.617 4.338 1.330 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -0.470 5.698 0.960 1.00 10.00 H new ATOM 977 N GLU A 63 1.041 8.939 4.498 1.00 10.00 N ATOM 978 CA GLU A 63 1.287 9.551 5.800 1.00 10.00 C ATOM 979 C GLU A 63 -0.025 9.825 6.531 1.00 10.00 C ATOM 980 O GLU A 63 -0.046 10.012 7.745 1.00 10.00 O ATOM 981 CB GLU A 63 2.074 10.850 5.636 1.00 10.00 C ATOM 982 CG GLU A 63 3.540 10.637 5.300 1.00 10.00 C ATOM 983 CD GLU A 63 4.282 9.892 6.389 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.630 10.515 7.413 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.528 8.679 6.225 1.00 10.00 O ATOM 0 H GLU A 63 1.268 9.537 3.703 1.00 10.00 H new ATOM 0 HA GLU A 63 1.874 8.852 6.396 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.613 11.447 4.849 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.002 11.427 6.558 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.618 10.081 4.366 1.00 10.00 H new ATOM 0 HG3 GLU A 63 4.016 11.604 5.136 1.00 10.00 H new ATOM 992 N LYS A 64 -1.118 9.838 5.786 1.00 10.00 N ATOM 993 CA LYS A 64 -2.429 10.088 6.363 1.00 10.00 C ATOM 994 C LYS A 64 -3.043 8.795 6.895 1.00 10.00 C ATOM 995 O LYS A 64 -3.970 8.820 7.704 1.00 10.00 O ATOM 996 CB LYS A 64 -3.346 10.734 5.325 1.00 10.00 C ATOM 997 CG LYS A 64 -2.916 12.139 4.935 1.00 10.00 C ATOM 998 CD LYS A 64 -3.900 12.782 3.974 1.00 10.00 C ATOM 999 CE LYS A 64 -3.452 14.179 3.574 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.505 14.901 2.815 1.00 10.00 N ATOM 0 H LYS A 64 -1.124 9.678 4.779 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.313 10.775 7.201 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.371 10.108 4.433 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.362 10.768 5.719 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.827 12.754 5.831 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.929 12.103 4.474 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.000 12.161 3.084 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.885 12.833 4.439 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.194 14.747 4.468 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.549 14.111 2.967 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.161 15.849 2.561 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.734 14.372 1.949 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.358 14.988 3.403 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.511 7.668 6.443 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.998 6.364 6.875 1.00 10.00 C ATOM 1016 C GLN A 65 -1.927 5.651 7.690 1.00 10.00 C ATOM 1017 O GLN A 65 -2.046 4.466 8.007 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.398 5.516 5.664 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.625 6.038 4.933 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.877 6.005 5.793 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.176 6.955 6.516 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.627 4.918 5.711 1.00 10.00 N ATOM 0 H GLN A 65 -1.740 7.630 5.776 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.878 6.508 7.501 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.561 5.475 4.967 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.589 4.495 5.993 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.440 7.061 4.606 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.790 5.442 4.036 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.347 4.150 5.101 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.485 4.848 6.258 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.883 6.394 8.023 1.00 10.00 N ATOM 1032 CA LYS A 66 0.229 5.874 8.802 1.00 10.00 C ATOM 1033 C LYS A 66 -0.214 5.581 10.232 1.00 10.00 C ATOM 1034 O LYS A 66 -0.910 6.387 10.855 1.00 10.00 O ATOM 1035 CB LYS A 66 1.374 6.890 8.794 1.00 10.00 C ATOM 1036 CG LYS A 66 2.618 6.443 9.545 1.00 10.00 C ATOM 1037 CD LYS A 66 3.722 7.488 9.458 1.00 10.00 C ATOM 1038 CE LYS A 66 3.307 8.801 10.109 1.00 10.00 C ATOM 1039 NZ LYS A 66 4.339 9.857 9.945 1.00 10.00 N ATOM 0 H LYS A 66 -0.783 7.375 7.761 1.00 10.00 H new ATOM 0 HA LYS A 66 0.575 4.941 8.356 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.646 7.104 7.760 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.018 7.824 9.230 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.368 6.261 10.590 1.00 10.00 H new ATOM 0 HG3 LYS A 66 2.975 5.499 9.133 1.00 10.00 H new ATOM 0 HD2 LYS A 66 4.621 7.109 9.944 1.00 10.00 H new ATOM 0 HD3 LYS A 66 3.975 7.664 8.412 1.00 10.00 H new ATOM 0 HE2 LYS A 66 2.368 9.141 9.672 1.00 10.00 H new ATOM 0 HE3 LYS A 66 3.123 8.636 11.171 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.291 10.517 10.747 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.282 9.419 9.913 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.168 10.375 9.060 1.00 10.00 H new ATOM 1053 N LYS A 67 0.183 4.422 10.740 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.170 4.012 12.095 1.00 10.00 C ATOM 1055 C LYS A 67 1.034 3.406 12.807 1.00 10.00 C ATOM 1056 O LYS A 67 2.178 3.641 12.412 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.320 3.004 12.068 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.669 3.628 11.755 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.777 2.584 11.754 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.144 3.216 11.546 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.221 2.199 11.426 1.00 10.00 N ATOM 0 H LYS A 67 0.753 3.745 10.232 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.490 4.898 12.643 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.103 2.237 11.324 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.376 2.504 13.035 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.894 4.399 12.491 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.628 4.118 10.782 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.589 1.855 10.966 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -3.767 2.041 12.699 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.366 3.881 12.381 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -5.125 3.830 10.646 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.124 2.672 11.218 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.991 1.539 10.656 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.304 1.674 12.320 1.00 10.00 H new TER 1075 LYS A 67 ATOM 1076 N GLY B 3 -8.202 -18.117 -0.437 1.00 10.00 N ATOM 1077 CA GLY B 3 -8.155 -17.737 -1.833 1.00 10.00 C ATOM 1078 C GLY B 3 -6.983 -16.829 -2.141 1.00 10.00 C ATOM 1079 O GLY B 3 -5.957 -17.275 -2.661 1.00 10.00 O ATOM 0 HA2 GLY B 3 -8.089 -18.633 -2.450 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -9.083 -17.233 -2.102 1.00 10.00 H new ATOM 1083 N GLU B 4 -7.135 -15.553 -1.818 1.00 10.00 N ATOM 1084 CA GLU B 4 -6.082 -14.576 -2.059 1.00 10.00 C ATOM 1085 C GLU B 4 -4.914 -14.810 -1.113 1.00 10.00 C ATOM 1086 O GLU B 4 -5.109 -15.190 0.043 1.00 10.00 O ATOM 1087 CB GLU B 4 -6.611 -13.151 -1.892 1.00 10.00 C ATOM 1088 CG GLU B 4 -7.890 -12.874 -2.667 1.00 10.00 C ATOM 1089 CD GLU B 4 -7.707 -12.963 -4.166 1.00 10.00 C ATOM 1090 OE1 GLU B 4 -8.241 -13.916 -4.769 1.00 10.00 O ATOM 1091 OE2 GLU B 4 -7.038 -12.080 -4.741 1.00 10.00 O ATOM 0 H GLU B 4 -7.977 -15.170 -1.388 1.00 10.00 H new ATOM 0 HA GLU B 4 -5.737 -14.699 -3.086 1.00 10.00 H new ATOM 0 HB2 GLU B 4 -6.791 -12.962 -0.834 1.00 10.00 H new ATOM 0 HB3 GLU B 4 -5.843 -12.448 -2.215 1.00 10.00 H new ATOM 0 HG2 GLU B 4 -8.656 -13.585 -2.358 1.00 10.00 H new ATOM 0 HG3 GLU B 4 -8.255 -11.880 -2.410 1.00 10.00 H new ATOM 1098 N GLY B 5 -3.709 -14.592 -1.609 1.00 10.00 N ATOM 1099 CA GLY B 5 -2.525 -14.781 -0.803 1.00 10.00 C ATOM 1100 C GLY B 5 -1.298 -14.192 -1.459 1.00 10.00 C ATOM 1101 O GLY B 5 -0.392 -14.923 -1.863 1.00 10.00 O ATOM 0 H GLY B 5 -3.529 -14.285 -2.565 1.00 10.00 H new ATOM 0 HA2 GLY B 5 -2.672 -14.319 0.173 1.00 10.00 H new ATOM 0 HA3 GLY B 5 -2.369 -15.846 -0.631 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.286 -12.870 -1.573 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.177 -12.145 -2.182 1.00 10.00 C ATOM 1107 C GLU B 6 1.131 -12.419 -1.445 1.00 10.00 C ATOM 1108 O GLU B 6 1.165 -12.479 -0.214 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.473 -10.641 -2.191 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.086 -10.126 -0.894 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.600 -10.044 -0.945 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -3.131 -8.917 -1.050 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.259 -11.106 -0.878 1.00 10.00 O ATOM 0 H GLU B 6 -2.044 -12.270 -1.246 1.00 10.00 H new ATOM 0 HA GLU B 6 -0.066 -12.494 -3.209 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.453 -10.099 -2.384 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.151 -10.419 -3.015 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -0.791 -10.781 -0.074 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.681 -9.138 -0.675 1.00 10.00 H new ATOM 1120 N GLU B 7 2.202 -12.596 -2.203 1.00 10.00 N ATOM 1121 CA GLU B 7 3.511 -12.870 -1.631 1.00 10.00 C ATOM 1122 C GLU B 7 4.448 -11.689 -1.830 1.00 10.00 C ATOM 1123 O GLU B 7 4.265 -10.895 -2.754 1.00 10.00 O ATOM 1124 CB GLU B 7 4.128 -14.104 -2.283 1.00 10.00 C ATOM 1125 CG GLU B 7 3.440 -15.408 -1.935 1.00 10.00 C ATOM 1126 CD GLU B 7 4.277 -16.604 -2.325 1.00 10.00 C ATOM 1127 OE1 GLU B 7 5.216 -16.940 -1.572 1.00 10.00 O ATOM 1128 OE2 GLU B 7 4.019 -17.200 -3.394 1.00 10.00 O ATOM 0 H GLU B 7 2.190 -12.554 -3.222 1.00 10.00 H new ATOM 0 HA GLU B 7 3.376 -13.045 -0.564 1.00 10.00 H new ATOM 0 HB2 GLU B 7 4.109 -13.975 -3.365 1.00 10.00 H new ATOM 0 HB3 GLU B 7 5.175 -14.170 -1.988 1.00 10.00 H new ATOM 0 HG2 GLU B 7 3.239 -15.439 -0.864 1.00 10.00 H new ATOM 0 HG3 GLU B 7 2.476 -15.457 -2.442 1.00 10.00 H new ATOM 1135 N GLU B 8 5.447 -11.583 -0.960 1.00 10.00 N ATOM 1136 CA GLU B 8 6.440 -10.516 -1.041 1.00 10.00 C ATOM 1137 C GLU B 8 7.828 -11.078 -0.763 1.00 10.00 C ATOM 1138 O GLU B 8 7.968 -12.238 -0.363 1.00 10.00 O ATOM 1139 CB GLU B 8 6.147 -9.392 -0.046 1.00 10.00 C ATOM 1140 CG GLU B 8 4.778 -8.757 -0.201 1.00 10.00 C ATOM 1141 CD GLU B 8 4.839 -7.250 -0.095 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.773 -6.574 -1.140 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.971 -6.742 1.040 1.00 10.00 O ATOM 0 H GLU B 8 5.591 -12.229 -0.184 1.00 10.00 H new ATOM 0 HA GLU B 8 6.395 -10.102 -2.048 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.238 -9.787 0.966 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.907 -8.619 -0.156 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.356 -9.036 -1.166 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.108 -9.148 0.565 1.00 10.00 H new ATOM 1150 N GLY B 9 8.846 -10.257 -0.976 1.00 10.00 N ATOM 1151 CA GLY B 9 10.208 -10.685 -0.744 1.00 10.00 C ATOM 1152 C GLY B 9 11.206 -9.665 -1.237 1.00 10.00 C ATOM 1153 O GLY B 9 11.922 -9.901 -2.210 1.00 10.00 O ATOM 0 H GLY B 9 8.751 -9.297 -1.307 1.00 10.00 H new ATOM 0 HA2 GLY B 9 10.359 -10.856 0.322 1.00 10.00 H new ATOM 0 HA3 GLY B 9 10.381 -11.636 -1.247 1.00 10.00 H new ATOM 1157 N GLU B 10 11.241 -8.524 -0.570 1.00 10.00 N ATOM 1158 CA GLU B 10 12.151 -7.451 -0.931 1.00 10.00 C ATOM 1159 C GLU B 10 13.269 -7.350 0.090 1.00 10.00 C ATOM 1160 O GLU B 10 13.015 -7.157 1.280 1.00 10.00 O ATOM 1161 CB GLU B 10 11.405 -6.120 -1.002 1.00 10.00 C ATOM 1162 CG GLU B 10 11.019 -5.697 -2.409 1.00 10.00 C ATOM 1163 CD GLU B 10 10.427 -6.830 -3.226 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.971 -7.129 -4.310 1.00 10.00 O ATOM 1165 OE2 GLU B 10 9.428 -7.437 -2.786 1.00 10.00 O ATOM 0 H GLU B 10 10.644 -8.316 0.231 1.00 10.00 H new ATOM 0 HA GLU B 10 12.574 -7.674 -1.910 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.502 -6.189 -0.395 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.028 -5.343 -0.559 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.298 -4.882 -2.353 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.900 -5.309 -2.921 1.00 10.00 H new ATOM 1172 N GLU B 11 14.498 -7.485 -0.375 1.00 10.00 N ATOM 1173 CA GLU B 11 15.647 -7.400 0.506 1.00 10.00 C ATOM 1174 C GLU B 11 16.012 -5.939 0.736 1.00 10.00 C ATOM 1175 O GLU B 11 15.956 -5.123 -0.189 1.00 10.00 O ATOM 1176 CB GLU B 11 16.832 -8.166 -0.089 1.00 10.00 C ATOM 1177 CG GLU B 11 17.975 -8.385 0.891 1.00 10.00 C ATOM 1178 CD GLU B 11 17.501 -8.921 2.228 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.142 -8.109 3.103 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.486 -10.156 2.411 1.00 10.00 O ATOM 0 H GLU B 11 14.725 -7.653 -1.355 1.00 10.00 H new ATOM 0 HA GLU B 11 15.396 -7.854 1.465 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.483 -9.134 -0.449 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.207 -7.621 -0.955 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.692 -9.082 0.458 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.501 -7.443 1.047 1.00 10.00 H new ATOM 1187 N TYR B 12 16.384 -5.615 1.963 1.00 10.00 N ATOM 1188 CA TYR B 12 16.743 -4.248 2.321 1.00 10.00 C ATOM 1189 C TYR B 12 18.219 -3.987 2.052 1.00 10.00 C ATOM 1190 O TYR B 12 18.881 -4.765 1.363 1.00 10.00 O ATOM 1191 CB TYR B 12 16.433 -3.982 3.797 1.00 10.00 C ATOM 1192 CG TYR B 12 16.104 -2.537 4.100 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.967 -1.746 4.846 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.924 -1.970 3.642 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.661 -0.427 5.129 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.611 -0.653 3.918 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.482 0.115 4.662 1.00 10.00 C ATOM 1198 OH TYR B 12 15.174 1.429 4.940 1.00 10.00 O ATOM 0 H TYR B 12 16.446 -6.281 2.733 1.00 10.00 H new ATOM 0 HA TYR B 12 16.150 -3.573 1.704 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.594 -4.608 4.101 1.00 10.00 H new ATOM 0 HB3 TYR B 12 17.290 -4.284 4.399 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.892 -2.167 5.211 1.00 10.00 H new ATOM 0 HD2 TYR B 12 14.238 -2.568 3.060 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.342 0.175 5.713 1.00 10.00 H new ATOM 0 HE2 TYR B 12 13.688 -0.227 3.553 1.00 10.00 H new ATOM 0 HH TYR B 12 16.001 1.948 5.024 1.00 10.00 H new TER 1208 TYR B 12