USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 591 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 2 SER OG : rot -151:sc= 1.47 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -126:sc=-0.00202 (180deg=-0.227) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0.901) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.2) USER MOD Single : A 11 TYR OH : rot -9:sc= 0.866 USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= 1.24 (180deg=1.03) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.18) USER MOD Single : A 17 GLN : amide:sc= -1.48! C(o=-1.5!,f=-2!) USER MOD Single : A 21 SER OG : rot -86:sc= 1.09 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+ -156:sc= 1.26 (180deg=1.06) USER MOD Single : A 34 HIS : no HE2:sc= -0.749 K(o=-0.75,f=-3.1!) USER MOD Single : A 37 TYR OH : rot -138:sc= 1.07 USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= -1.08 (180deg=-2.75!) USER MOD Single : A 46 MET CE :methyl -112:sc= -0.582 (180deg=-3.06!) USER MOD Single : A 48 MET CE :methyl 155:sc= -1.53 (180deg=-3.13!) USER MOD Single : A 50 SER OG : rot -98:sc= 1.63 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.118 F(o=-0.95,f=-0.12) USER MOD Single : A 61 MET CE :methyl 164:sc= -0.359 (180deg=-1.04) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0423 F(o=-0.82,f=-0.042) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.08) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.2) USER MOD Single : B 12 TYR OH : rot -148:sc= 2.24 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.231 3.481 -5.456 1.00 10.00 N ATOM 9 CA SER A 2 -16.699 4.125 -4.268 1.00 10.00 C ATOM 10 C SER A 2 -16.520 5.620 -4.492 1.00 10.00 C ATOM 11 O SER A 2 -16.058 6.054 -5.551 1.00 10.00 O ATOM 12 CB SER A 2 -15.364 3.488 -3.876 1.00 10.00 C ATOM 13 OG SER A 2 -14.788 4.143 -2.756 1.00 10.00 O ATOM 0 HA SER A 2 -17.413 3.985 -3.456 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.516 2.434 -3.645 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.676 3.533 -4.720 1.00 10.00 H new ATOM 0 HG SER A 2 -13.812 4.070 -2.801 1.00 10.00 H new ATOM 19 N HIS A 3 -16.914 6.403 -3.499 1.00 10.00 N ATOM 20 CA HIS A 3 -16.773 7.851 -3.563 1.00 10.00 C ATOM 21 C HIS A 3 -15.484 8.267 -2.863 1.00 10.00 C ATOM 22 O HIS A 3 -15.215 9.453 -2.669 1.00 10.00 O ATOM 23 CB HIS A 3 -17.971 8.553 -2.913 1.00 10.00 C ATOM 24 CG HIS A 3 -19.222 8.516 -3.737 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.459 9.441 -4.730 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.273 7.663 -3.668 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.641 9.131 -5.237 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.168 8.063 -4.625 1.00 10.00 N ATOM 0 H HIS A 3 -17.335 6.059 -2.636 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.736 8.149 -4.611 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.171 8.088 -1.947 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.708 9.593 -2.718 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.384 6.830 -2.990 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.119 9.670 -6.041 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -22.067 7.629 -4.832 1.00 10.00 H new ATOM 36 N MET A 4 -14.687 7.274 -2.492 1.00 10.00 N ATOM 37 CA MET A 4 -13.428 7.517 -1.806 1.00 10.00 C ATOM 38 C MET A 4 -12.286 7.617 -2.807 1.00 10.00 C ATOM 39 O MET A 4 -12.474 7.390 -4.002 1.00 10.00 O ATOM 40 CB MET A 4 -13.146 6.398 -0.802 1.00 10.00 C ATOM 41 CG MET A 4 -14.245 6.208 0.233 1.00 10.00 C ATOM 42 SD MET A 4 -14.419 7.626 1.338 1.00 10.00 S ATOM 43 CE MET A 4 -12.939 7.472 2.339 1.00 10.00 C ATOM 0 H MET A 4 -14.893 6.289 -2.656 1.00 10.00 H new ATOM 0 HA MET A 4 -13.506 8.462 -1.269 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.006 5.463 -1.345 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.209 6.612 -0.288 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.192 6.033 -0.277 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.031 5.317 0.824 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.213 7.461 3.394 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.425 6.544 2.088 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.279 8.317 2.144 1.00 10.00 H new ATOM 53 N ALA A 5 -11.111 7.970 -2.312 1.00 10.00 N ATOM 54 CA ALA A 5 -9.937 8.100 -3.152 1.00 10.00 C ATOM 55 C ALA A 5 -9.171 6.785 -3.217 1.00 10.00 C ATOM 56 O ALA A 5 -8.836 6.193 -2.189 1.00 10.00 O ATOM 57 CB ALA A 5 -9.043 9.216 -2.634 1.00 10.00 C ATOM 0 H ALA A 5 -10.947 8.172 -1.326 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.260 8.352 -4.162 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.164 9.304 -3.273 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.594 10.157 -2.642 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.729 8.988 -1.615 1.00 10.00 H new ATOM 63 N THR A 6 -8.910 6.327 -4.428 1.00 10.00 N ATOM 64 CA THR A 6 -8.183 5.090 -4.633 1.00 10.00 C ATOM 65 C THR A 6 -6.683 5.357 -4.683 1.00 10.00 C ATOM 66 O THR A 6 -6.243 6.391 -5.195 1.00 10.00 O ATOM 67 CB THR A 6 -8.623 4.399 -5.938 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.980 4.755 -6.242 1.00 10.00 O ATOM 69 CG2 THR A 6 -8.507 2.887 -5.815 1.00 10.00 C ATOM 0 H THR A 6 -9.193 6.797 -5.288 1.00 10.00 H new ATOM 0 HA THR A 6 -8.407 4.431 -3.794 1.00 10.00 H new ATOM 0 HB THR A 6 -7.968 4.733 -6.742 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.255 4.315 -7.073 1.00 10.00 H new ATOM 0 HG21 THR A 6 -8.823 2.421 -6.748 1.00 10.00 H new ATOM 0 HG22 THR A 6 -7.472 2.617 -5.607 1.00 10.00 H new ATOM 0 HG23 THR A 6 -9.143 2.538 -5.002 1.00 10.00 H new ATOM 77 N VAL A 7 -5.908 4.441 -4.124 1.00 10.00 N ATOM 78 CA VAL A 7 -4.461 4.565 -4.118 1.00 10.00 C ATOM 79 C VAL A 7 -3.843 3.439 -4.943 1.00 10.00 C ATOM 80 O VAL A 7 -4.152 2.264 -4.735 1.00 10.00 O ATOM 81 CB VAL A 7 -3.892 4.518 -2.682 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.444 4.984 -2.661 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.735 5.354 -1.728 1.00 10.00 C ATOM 0 H VAL A 7 -6.260 3.600 -3.667 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.208 5.532 -4.554 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.927 3.482 -2.344 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.063 4.943 -1.640 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.844 4.335 -3.299 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.386 6.008 -3.029 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.310 5.301 -0.726 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.745 6.391 -2.064 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.755 4.969 -1.711 1.00 10.00 H new ATOM 93 N LYS A 8 -2.993 3.800 -5.890 1.00 10.00 N ATOM 94 CA LYS A 8 -2.343 2.818 -6.742 1.00 10.00 C ATOM 95 C LYS A 8 -0.960 2.476 -6.207 1.00 10.00 C ATOM 96 O LYS A 8 -0.111 3.354 -6.048 1.00 10.00 O ATOM 97 CB LYS A 8 -2.236 3.335 -8.176 1.00 10.00 C ATOM 98 CG LYS A 8 -3.560 3.340 -8.925 1.00 10.00 C ATOM 99 CD LYS A 8 -3.362 3.632 -10.404 1.00 10.00 C ATOM 100 CE LYS A 8 -4.667 3.517 -11.177 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.433 3.253 -12.621 1.00 10.00 N ATOM 0 H LYS A 8 -2.737 4.767 -6.088 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.952 1.914 -6.741 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.835 4.348 -8.158 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.522 2.719 -8.723 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -4.050 2.374 -8.806 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.222 4.089 -8.491 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.953 4.635 -10.526 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.631 2.938 -10.818 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -5.270 2.714 -10.754 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.239 4.438 -11.064 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.255 3.575 -13.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.585 3.766 -12.935 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -4.295 2.233 -12.770 1.00 10.00 H new ATOM 115 N PHE A 9 -0.741 1.204 -5.922 1.00 10.00 N ATOM 116 CA PHE A 9 0.536 0.745 -5.398 1.00 10.00 C ATOM 117 C PHE A 9 1.275 -0.094 -6.426 1.00 10.00 C ATOM 118 O PHE A 9 0.667 -0.871 -7.161 1.00 10.00 O ATOM 119 CB PHE A 9 0.329 -0.084 -4.130 1.00 10.00 C ATOM 120 CG PHE A 9 -0.279 0.682 -2.991 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.655 0.779 -2.862 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.526 1.300 -2.050 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.217 1.477 -1.812 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.030 2.001 -0.999 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.403 2.089 -0.879 1.00 10.00 C ATOM 0 H PHE A 9 -1.435 0.466 -6.045 1.00 10.00 H new ATOM 0 HA PHE A 9 1.132 1.627 -5.163 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.311 -0.934 -4.365 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.290 -0.487 -3.811 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.295 0.303 -3.591 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.600 1.233 -2.139 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.291 1.544 -1.720 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.608 2.480 -0.271 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.840 2.636 -0.056 1.00 10.00 H new ATOM 135 N LYS A 10 2.587 0.066 -6.468 1.00 10.00 N ATOM 136 CA LYS A 10 3.425 -0.689 -7.385 1.00 10.00 C ATOM 137 C LYS A 10 3.951 -1.931 -6.667 1.00 10.00 C ATOM 138 O LYS A 10 5.135 -2.029 -6.344 1.00 10.00 O ATOM 139 CB LYS A 10 4.578 0.186 -7.884 1.00 10.00 C ATOM 140 CG LYS A 10 5.281 -0.344 -9.127 1.00 10.00 C ATOM 141 CD LYS A 10 6.098 0.749 -9.796 1.00 10.00 C ATOM 142 CE LYS A 10 7.013 0.209 -10.881 1.00 10.00 C ATOM 143 NZ LYS A 10 8.049 1.208 -11.260 1.00 10.00 N ATOM 0 H LYS A 10 3.098 0.717 -5.873 1.00 10.00 H new ATOM 0 HA LYS A 10 2.842 -1.000 -8.252 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.194 1.184 -8.097 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.311 0.290 -7.084 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.932 -1.175 -8.855 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.543 -0.733 -9.829 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.424 1.489 -10.228 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.696 1.263 -9.044 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.495 -0.704 -10.532 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.423 -0.057 -11.758 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.710 0.782 -11.941 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.591 2.035 -11.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.571 1.506 -10.411 1.00 10.00 H new ATOM 157 N TYR A 11 3.047 -2.865 -6.405 1.00 10.00 N ATOM 158 CA TYR A 11 3.376 -4.098 -5.703 1.00 10.00 C ATOM 159 C TYR A 11 4.045 -5.104 -6.638 1.00 10.00 C ATOM 160 O TYR A 11 3.431 -5.586 -7.591 1.00 10.00 O ATOM 161 CB TYR A 11 2.100 -4.689 -5.080 1.00 10.00 C ATOM 162 CG TYR A 11 2.162 -6.175 -4.799 1.00 10.00 C ATOM 163 CD1 TYR A 11 2.832 -6.667 -3.689 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.548 -7.085 -5.652 1.00 10.00 C ATOM 165 CE1 TYR A 11 2.888 -8.023 -3.436 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.598 -8.440 -5.407 1.00 10.00 C ATOM 167 CZ TYR A 11 2.272 -8.906 -4.298 1.00 10.00 C ATOM 168 OH TYR A 11 2.329 -10.257 -4.050 1.00 10.00 O ATOM 0 H TYR A 11 2.066 -2.789 -6.673 1.00 10.00 H new ATOM 0 HA TYR A 11 4.088 -3.872 -4.909 1.00 10.00 H new ATOM 0 HB2 TYR A 11 1.892 -4.165 -4.147 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.262 -4.494 -5.749 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.317 -5.979 -3.012 1.00 10.00 H new ATOM 0 HD2 TYR A 11 1.022 -6.723 -6.523 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.412 -8.391 -2.566 1.00 10.00 H new ATOM 0 HE2 TYR A 11 1.113 -9.132 -6.079 1.00 10.00 H new ATOM 0 HH TYR A 11 2.952 -10.428 -3.314 1.00 10.00 H new ATOM 178 N LYS A 12 5.319 -5.390 -6.367 1.00 10.00 N ATOM 179 CA LYS A 12 6.102 -6.343 -7.155 1.00 10.00 C ATOM 180 C LYS A 12 6.144 -5.965 -8.639 1.00 10.00 C ATOM 181 O LYS A 12 6.385 -6.816 -9.496 1.00 10.00 O ATOM 182 CB LYS A 12 5.538 -7.758 -6.998 1.00 10.00 C ATOM 183 CG LYS A 12 5.901 -8.425 -5.681 1.00 10.00 C ATOM 184 CD LYS A 12 7.394 -8.688 -5.579 1.00 10.00 C ATOM 185 CE LYS A 12 7.721 -9.588 -4.398 1.00 10.00 C ATOM 186 NZ LYS A 12 9.180 -9.829 -4.278 1.00 10.00 N ATOM 0 H LYS A 12 5.837 -4.968 -5.596 1.00 10.00 H new ATOM 0 HA LYS A 12 7.122 -6.313 -6.773 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.452 -7.717 -7.086 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.901 -8.376 -7.819 1.00 10.00 H new ATOM 0 HG2 LYS A 12 5.585 -7.791 -4.852 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.358 -9.366 -5.587 1.00 10.00 H new ATOM 0 HD2 LYS A 12 7.747 -9.152 -6.500 1.00 10.00 H new ATOM 0 HD3 LYS A 12 7.925 -7.742 -5.475 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.351 -9.132 -3.480 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.203 -10.540 -4.512 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.344 -10.765 -3.856 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 9.617 -9.793 -5.221 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.604 -9.098 -3.672 1.00 10.00 H new ATOM 200 N GLY A 13 5.918 -4.694 -8.935 1.00 10.00 N ATOM 201 CA GLY A 13 5.929 -4.242 -10.313 1.00 10.00 C ATOM 202 C GLY A 13 4.539 -4.185 -10.926 1.00 10.00 C ATOM 203 O GLY A 13 4.359 -3.652 -12.022 1.00 10.00 O ATOM 0 H GLY A 13 5.727 -3.966 -8.246 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.384 -3.253 -10.362 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.555 -4.910 -10.905 1.00 10.00 H new ATOM 207 N GLU A 14 3.557 -4.731 -10.218 1.00 10.00 N ATOM 208 CA GLU A 14 2.180 -4.741 -10.696 1.00 10.00 C ATOM 209 C GLU A 14 1.400 -3.591 -10.066 1.00 10.00 C ATOM 210 O GLU A 14 1.691 -3.180 -8.943 1.00 10.00 O ATOM 211 CB GLU A 14 1.509 -6.077 -10.369 1.00 10.00 C ATOM 212 CG GLU A 14 0.166 -6.264 -11.059 1.00 10.00 C ATOM 213 CD GLU A 14 -0.624 -7.431 -10.505 1.00 10.00 C ATOM 214 OE1 GLU A 14 -0.338 -8.584 -10.890 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.539 -7.207 -9.687 1.00 10.00 O ATOM 0 H GLU A 14 3.690 -5.174 -9.309 1.00 10.00 H new ATOM 0 HA GLU A 14 2.186 -4.614 -11.779 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.175 -6.890 -10.659 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.368 -6.150 -9.291 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.421 -5.352 -10.953 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.329 -6.416 -12.126 1.00 10.00 H new ATOM 222 N GLU A 15 0.426 -3.067 -10.792 1.00 10.00 N ATOM 223 CA GLU A 15 -0.381 -1.965 -10.297 1.00 10.00 C ATOM 224 C GLU A 15 -1.557 -2.478 -9.474 1.00 10.00 C ATOM 225 O GLU A 15 -2.463 -3.125 -10.000 1.00 10.00 O ATOM 226 CB GLU A 15 -0.886 -1.109 -11.459 1.00 10.00 C ATOM 227 CG GLU A 15 -1.639 0.133 -11.010 1.00 10.00 C ATOM 228 CD GLU A 15 -2.018 1.036 -12.163 1.00 10.00 C ATOM 229 OE1 GLU A 15 -1.214 1.914 -12.524 1.00 10.00 O ATOM 230 OE2 GLU A 15 -3.132 0.881 -12.705 1.00 10.00 O ATOM 0 H GLU A 15 0.175 -3.388 -11.727 1.00 10.00 H new ATOM 0 HA GLU A 15 0.247 -1.350 -9.653 1.00 10.00 H new ATOM 0 HB2 GLU A 15 -0.038 -0.808 -12.075 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.539 -1.713 -12.089 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -2.541 -0.167 -10.477 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -1.023 0.691 -10.305 1.00 10.00 H new ATOM 237 N LYS A 16 -1.524 -2.196 -8.184 1.00 10.00 N ATOM 238 CA LYS A 16 -2.587 -2.604 -7.279 1.00 10.00 C ATOM 239 C LYS A 16 -3.443 -1.400 -6.914 1.00 10.00 C ATOM 240 O LYS A 16 -2.954 -0.438 -6.320 1.00 10.00 O ATOM 241 CB LYS A 16 -2.007 -3.236 -6.009 1.00 10.00 C ATOM 242 CG LYS A 16 -1.433 -4.631 -6.215 1.00 10.00 C ATOM 243 CD LYS A 16 -2.492 -5.603 -6.708 1.00 10.00 C ATOM 244 CE LYS A 16 -2.061 -7.048 -6.510 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.749 -7.967 -7.454 1.00 10.00 N ATOM 0 H LYS A 16 -0.766 -1.682 -7.735 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.204 -3.348 -7.783 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.224 -2.587 -5.618 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.789 -3.285 -5.251 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -0.616 -4.586 -6.935 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.013 -4.994 -5.277 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -3.426 -5.425 -6.175 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.688 -5.423 -7.765 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.983 -7.127 -6.648 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.275 -7.353 -5.486 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.560 -8.952 -7.179 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.773 -7.790 -7.426 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.395 -7.803 -8.418 1.00 10.00 H new ATOM 259 N GLN A 17 -4.713 -1.449 -7.284 1.00 10.00 N ATOM 260 CA GLN A 17 -5.631 -0.359 -6.988 1.00 10.00 C ATOM 261 C GLN A 17 -6.383 -0.644 -5.696 1.00 10.00 C ATOM 262 O GLN A 17 -7.337 -1.418 -5.683 1.00 10.00 O ATOM 263 CB GLN A 17 -6.620 -0.155 -8.139 1.00 10.00 C ATOM 264 CG GLN A 17 -6.693 1.285 -8.628 1.00 10.00 C ATOM 265 CD GLN A 17 -7.881 1.549 -9.534 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.809 2.372 -10.448 1.00 10.00 O ATOM 267 NE2 GLN A 17 -8.989 0.876 -9.275 1.00 10.00 N ATOM 0 H GLN A 17 -5.132 -2.230 -7.789 1.00 10.00 H new ATOM 0 HA GLN A 17 -5.051 0.556 -6.867 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -6.335 -0.799 -8.971 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.612 -0.472 -7.816 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -6.745 1.952 -7.767 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.775 1.527 -9.164 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -9.009 0.203 -8.509 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -9.823 1.030 -9.841 1.00 10.00 H new ATOM 276 N VAL A 18 -5.944 -0.030 -4.610 1.00 10.00 N ATOM 277 CA VAL A 18 -6.574 -0.233 -3.316 1.00 10.00 C ATOM 278 C VAL A 18 -7.253 1.045 -2.848 1.00 10.00 C ATOM 279 O VAL A 18 -6.653 2.118 -2.874 1.00 10.00 O ATOM 280 CB VAL A 18 -5.550 -0.687 -2.254 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.239 -0.980 -0.932 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.786 -1.909 -2.733 1.00 10.00 C ATOM 0 H VAL A 18 -5.153 0.614 -4.599 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.319 -1.019 -3.437 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.840 0.126 -2.100 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.498 -1.298 -0.198 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.740 -0.080 -0.575 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -6.974 -1.772 -1.073 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.070 -2.212 -1.970 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.485 -2.725 -2.920 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.255 -1.668 -3.654 1.00 10.00 H new ATOM 292 N ASP A 19 -8.509 0.933 -2.445 1.00 10.00 N ATOM 293 CA ASP A 19 -9.252 2.089 -1.961 1.00 10.00 C ATOM 294 C ASP A 19 -8.756 2.482 -0.576 1.00 10.00 C ATOM 295 O ASP A 19 -8.437 1.617 0.241 1.00 10.00 O ATOM 296 CB ASP A 19 -10.752 1.793 -1.915 1.00 10.00 C ATOM 297 CG ASP A 19 -11.585 3.048 -1.750 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.567 3.638 -0.650 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.269 3.439 -2.718 1.00 10.00 O ATOM 0 H ASP A 19 -9.034 0.059 -2.443 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.087 2.917 -2.651 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.047 1.283 -2.832 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.960 1.112 -1.090 1.00 10.00 H new ATOM 304 N ILE A 20 -8.710 3.780 -0.308 1.00 10.00 N ATOM 305 CA ILE A 20 -8.232 4.278 0.975 1.00 10.00 C ATOM 306 C ILE A 20 -9.126 3.828 2.135 1.00 10.00 C ATOM 307 O ILE A 20 -8.661 3.714 3.269 1.00 10.00 O ATOM 308 CB ILE A 20 -8.103 5.820 0.970 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.278 6.287 2.170 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.474 6.487 0.971 1.00 10.00 C ATOM 311 CD1 ILE A 20 -6.776 7.706 2.045 1.00 10.00 C ATOM 0 H ILE A 20 -8.998 4.508 -0.962 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.242 3.847 1.126 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.589 6.114 0.055 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -7.885 6.204 3.072 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.426 5.619 2.296 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.352 7.570 0.967 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.028 6.181 0.083 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.024 6.187 1.863 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.200 7.968 2.932 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.142 7.791 1.162 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -7.624 8.385 1.950 1.00 10.00 H new ATOM 323 N SER A 21 -10.394 3.539 1.853 1.00 10.00 N ATOM 324 CA SER A 21 -11.321 3.108 2.895 1.00 10.00 C ATOM 325 C SER A 21 -11.037 1.665 3.316 1.00 10.00 C ATOM 326 O SER A 21 -11.514 1.201 4.353 1.00 10.00 O ATOM 327 CB SER A 21 -12.775 3.250 2.427 1.00 10.00 C ATOM 328 OG SER A 21 -12.989 2.606 1.181 1.00 10.00 O ATOM 0 H SER A 21 -10.800 3.595 0.919 1.00 10.00 H new ATOM 0 HA SER A 21 -11.173 3.754 3.760 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.442 2.824 3.176 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.028 4.307 2.339 1.00 10.00 H new ATOM 0 HG SER A 21 -12.758 3.219 0.452 1.00 10.00 H new ATOM 334 N LYS A 22 -10.248 0.959 2.511 1.00 10.00 N ATOM 335 CA LYS A 22 -9.901 -0.424 2.803 1.00 10.00 C ATOM 336 C LYS A 22 -8.543 -0.506 3.489 1.00 10.00 C ATOM 337 O LYS A 22 -8.191 -1.531 4.071 1.00 10.00 O ATOM 338 CB LYS A 22 -9.899 -1.255 1.516 1.00 10.00 C ATOM 339 CG LYS A 22 -11.251 -1.300 0.822 1.00 10.00 C ATOM 340 CD LYS A 22 -11.209 -2.158 -0.429 1.00 10.00 C ATOM 341 CE LYS A 22 -12.544 -2.140 -1.155 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.499 -2.934 -2.408 1.00 10.00 N ATOM 0 H LYS A 22 -9.838 1.324 1.651 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.652 -0.830 3.481 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.160 -0.844 0.828 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.585 -2.272 1.750 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -12.000 -1.694 1.509 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.560 -0.288 0.560 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.425 -1.796 -1.095 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.952 -3.183 -0.161 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.320 -2.537 -0.500 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.819 -1.111 -1.386 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.427 -2.898 -2.875 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.776 -2.539 -3.043 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.262 -3.922 -2.185 1.00 10.00 H new ATOM 356 N ILE A 23 -7.787 0.582 3.423 1.00 10.00 N ATOM 357 CA ILE A 23 -6.466 0.636 4.036 1.00 10.00 C ATOM 358 C ILE A 23 -6.585 0.695 5.554 1.00 10.00 C ATOM 359 O ILE A 23 -7.213 1.606 6.105 1.00 10.00 O ATOM 360 CB ILE A 23 -5.659 1.850 3.533 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.456 1.760 2.018 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.318 1.936 4.252 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.703 2.934 1.429 1.00 10.00 C ATOM 0 H ILE A 23 -8.067 1.441 2.950 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.935 -0.272 3.749 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.221 2.758 3.753 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.916 0.842 1.788 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.430 1.686 1.535 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.763 2.799 3.884 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.486 2.043 5.324 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.745 1.028 4.063 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.600 2.797 0.353 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.252 3.855 1.626 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.714 2.997 1.883 1.00 10.00 H new ATOM 375 N LEU A 24 -5.993 -0.284 6.221 1.00 10.00 N ATOM 376 CA LEU A 24 -6.026 -0.352 7.672 1.00 10.00 C ATOM 377 C LEU A 24 -4.908 0.492 8.268 1.00 10.00 C ATOM 378 O LEU A 24 -5.155 1.526 8.888 1.00 10.00 O ATOM 379 CB LEU A 24 -5.884 -1.801 8.140 1.00 10.00 C ATOM 380 CG LEU A 24 -6.873 -2.789 7.522 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.420 -4.217 7.770 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.266 -2.566 8.084 1.00 10.00 C ATOM 0 H LEU A 24 -5.481 -1.046 5.776 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.985 0.039 8.012 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.872 -2.139 7.918 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.999 -1.828 9.224 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.905 -2.620 6.446 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.135 -4.908 7.324 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.438 -4.370 7.322 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.361 -4.399 8.843 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.958 -3.277 7.634 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.250 -2.710 9.164 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.591 -1.551 7.858 1.00 10.00 H new ATOM 394 N SER A 25 -3.675 0.059 8.061 1.00 10.00 N ATOM 395 CA SER A 25 -2.527 0.771 8.590 1.00 10.00 C ATOM 396 C SER A 25 -1.356 0.724 7.622 1.00 10.00 C ATOM 397 O SER A 25 -1.107 -0.301 6.983 1.00 10.00 O ATOM 398 CB SER A 25 -2.119 0.155 9.928 1.00 10.00 C ATOM 399 OG SER A 25 -2.734 -1.111 10.109 1.00 10.00 O ATOM 0 H SER A 25 -3.445 -0.781 7.531 1.00 10.00 H new ATOM 0 HA SER A 25 -2.805 1.815 8.732 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.035 0.047 9.968 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.403 0.822 10.742 1.00 10.00 H new ATOM 0 HG SER A 25 -2.458 -1.488 10.970 1.00 10.00 H new ATOM 405 N VAL A 26 -0.660 1.845 7.497 1.00 10.00 N ATOM 406 CA VAL A 26 0.500 1.935 6.629 1.00 10.00 C ATOM 407 C VAL A 26 1.768 1.909 7.474 1.00 10.00 C ATOM 408 O VAL A 26 1.946 2.751 8.354 1.00 10.00 O ATOM 409 CB VAL A 26 0.466 3.222 5.776 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.748 3.384 4.977 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.737 3.217 4.845 1.00 10.00 C ATOM 0 H VAL A 26 -0.883 2.709 7.991 1.00 10.00 H new ATOM 0 HA VAL A 26 0.488 1.082 5.950 1.00 10.00 H new ATOM 0 HB VAL A 26 0.379 4.070 6.456 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.695 4.298 4.386 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.597 3.441 5.659 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.873 2.529 4.312 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.743 4.132 4.253 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.679 2.355 4.180 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.653 3.160 5.434 1.00 10.00 H new ATOM 421 N GLY A 27 2.623 0.931 7.228 1.00 10.00 N ATOM 422 CA GLY A 27 3.857 0.816 7.978 1.00 10.00 C ATOM 423 C GLY A 27 5.061 1.167 7.133 1.00 10.00 C ATOM 424 O GLY A 27 5.363 0.484 6.153 1.00 10.00 O ATOM 0 H GLY A 27 2.485 0.211 6.519 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.818 1.474 8.846 1.00 10.00 H new ATOM 0 HA3 GLY A 27 3.961 -0.202 8.354 1.00 10.00 H new ATOM 428 N ARG A 28 5.747 2.234 7.502 1.00 10.00 N ATOM 429 CA ARG A 28 6.916 2.673 6.760 1.00 10.00 C ATOM 430 C ARG A 28 8.192 2.117 7.381 1.00 10.00 C ATOM 431 O ARG A 28 8.630 2.575 8.435 1.00 10.00 O ATOM 432 CB ARG A 28 6.973 4.202 6.705 1.00 10.00 C ATOM 433 CG ARG A 28 8.055 4.731 5.779 1.00 10.00 C ATOM 434 CD ARG A 28 8.204 6.237 5.891 1.00 10.00 C ATOM 435 NE ARG A 28 9.385 6.710 5.177 1.00 10.00 N ATOM 436 CZ ARG A 28 10.517 7.081 5.766 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.634 7.044 7.090 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.536 7.476 5.020 1.00 10.00 N ATOM 0 H ARG A 28 5.516 2.812 8.310 1.00 10.00 H new ATOM 0 HA ARG A 28 6.836 2.291 5.742 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.006 4.583 6.377 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.144 4.589 7.710 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.005 4.253 6.019 1.00 10.00 H new ATOM 0 HG3 ARG A 28 7.815 4.465 4.750 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.315 6.723 5.489 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.274 6.520 6.941 1.00 10.00 H new ATOM 0 HE ARG A 28 9.339 6.759 4.159 1.00 10.00 H new ATOM 0 HH11 ARG A 28 9.851 6.729 7.663 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.507 7.331 7.533 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.448 7.493 4.004 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.410 7.763 5.461 1.00 10.00 H new ATOM 452 N TYR A 29 8.791 1.140 6.712 1.00 10.00 N ATOM 453 CA TYR A 29 10.019 0.514 7.194 1.00 10.00 C ATOM 454 C TYR A 29 11.246 1.284 6.714 1.00 10.00 C ATOM 455 O TYR A 29 12.372 0.790 6.782 1.00 10.00 O ATOM 456 CB TYR A 29 10.102 -0.937 6.712 1.00 10.00 C ATOM 457 CG TYR A 29 9.328 -1.919 7.561 1.00 10.00 C ATOM 458 CD1 TYR A 29 7.940 -1.945 7.544 1.00 10.00 C ATOM 459 CD2 TYR A 29 9.992 -2.830 8.373 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.234 -2.848 8.313 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.295 -3.736 9.147 1.00 10.00 C ATOM 462 CZ TYR A 29 7.917 -3.743 9.113 1.00 10.00 C ATOM 463 OH TYR A 29 7.219 -4.649 9.882 1.00 10.00 O ATOM 0 H TYR A 29 8.446 0.762 5.830 1.00 10.00 H new ATOM 0 HA TYR A 29 9.999 0.530 8.284 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.732 -0.989 5.688 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.149 -1.241 6.689 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.404 -1.247 6.918 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.072 -2.829 8.399 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.154 -2.855 8.289 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.826 -4.435 9.776 1.00 10.00 H new ATOM 0 HH TYR A 29 7.850 -5.206 10.384 1.00 10.00 H new ATOM 473 N GLY A 30 11.018 2.494 6.232 1.00 10.00 N ATOM 474 CA GLY A 30 12.098 3.318 5.738 1.00 10.00 C ATOM 475 C GLY A 30 11.995 3.531 4.246 1.00 10.00 C ATOM 476 O GLY A 30 11.202 4.345 3.786 1.00 10.00 O ATOM 0 H GLY A 30 10.095 2.923 6.174 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.083 4.282 6.246 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.053 2.848 5.974 1.00 10.00 H new ATOM 480 N LYS A 31 12.777 2.778 3.489 1.00 10.00 N ATOM 481 CA LYS A 31 12.764 2.880 2.038 1.00 10.00 C ATOM 482 C LYS A 31 11.612 2.072 1.461 1.00 10.00 C ATOM 483 O LYS A 31 11.091 2.389 0.390 1.00 10.00 O ATOM 484 CB LYS A 31 14.092 2.386 1.452 1.00 10.00 C ATOM 485 CG LYS A 31 15.289 3.256 1.813 1.00 10.00 C ATOM 486 CD LYS A 31 15.097 4.691 1.345 1.00 10.00 C ATOM 487 CE LYS A 31 15.130 5.663 2.511 1.00 10.00 C ATOM 488 NZ LYS A 31 14.552 6.985 2.152 1.00 10.00 N ATOM 0 H LYS A 31 13.431 2.087 3.857 1.00 10.00 H new ATOM 0 HA LYS A 31 12.631 3.928 1.770 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.276 1.370 1.801 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.004 2.339 0.367 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.438 3.241 2.893 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.190 2.842 1.361 1.00 10.00 H new ATOM 0 HD2 LYS A 31 15.879 4.950 0.631 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.145 4.780 0.822 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.576 5.241 3.350 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.160 5.796 2.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.939 7.716 2.782 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.794 7.214 1.167 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.518 6.951 2.255 1.00 10.00 H new ATOM 502 N LEU A 32 11.216 1.034 2.182 1.00 10.00 N ATOM 503 CA LEU A 32 10.125 0.176 1.756 1.00 10.00 C ATOM 504 C LEU A 32 8.911 0.380 2.652 1.00 10.00 C ATOM 505 O LEU A 32 9.017 0.342 3.878 1.00 10.00 O ATOM 506 CB LEU A 32 10.568 -1.292 1.769 1.00 10.00 C ATOM 507 CG LEU A 32 11.414 -1.730 0.567 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.932 -3.144 0.769 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.603 -1.633 -0.719 1.00 10.00 C ATOM 0 H LEU A 32 11.638 0.766 3.071 1.00 10.00 H new ATOM 0 HA LEU A 32 9.847 0.442 0.736 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.138 -1.475 2.680 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.680 -1.922 1.817 1.00 10.00 H new ATOM 0 HG LEU A 32 12.270 -1.060 0.483 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.530 -3.439 -0.093 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.548 -3.181 1.668 1.00 10.00 H new ATOM 0 HD13 LEU A 32 11.090 -3.828 0.878 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.218 -1.947 -1.562 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.728 -2.279 -0.647 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.281 -0.603 -0.869 1.00 10.00 H new ATOM 521 N ILE A 33 7.767 0.611 2.033 1.00 10.00 N ATOM 522 CA ILE A 33 6.528 0.835 2.756 1.00 10.00 C ATOM 523 C ILE A 33 5.608 -0.376 2.636 1.00 10.00 C ATOM 524 O ILE A 33 5.255 -0.790 1.533 1.00 10.00 O ATOM 525 CB ILE A 33 5.792 2.083 2.222 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.761 3.264 2.101 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.624 2.441 3.129 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.184 4.449 1.360 1.00 10.00 C ATOM 0 H ILE A 33 7.671 0.649 1.018 1.00 10.00 H new ATOM 0 HA ILE A 33 6.785 0.994 3.803 1.00 10.00 H new ATOM 0 HB ILE A 33 5.400 1.856 1.231 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.060 3.582 3.100 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.664 2.931 1.589 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.117 3.323 2.738 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.924 1.606 3.167 1.00 10.00 H new ATOM 0 HG23 ILE A 33 4.994 2.651 4.133 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.926 5.246 1.314 1.00 10.00 H new ATOM 0 HD12 ILE A 33 5.911 4.148 0.348 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.298 4.809 1.883 1.00 10.00 H new ATOM 540 N HIS A 34 5.228 -0.938 3.773 1.00 10.00 N ATOM 541 CA HIS A 34 4.351 -2.099 3.810 1.00 10.00 C ATOM 542 C HIS A 34 3.056 -1.739 4.533 1.00 10.00 C ATOM 543 O HIS A 34 3.064 -1.420 5.722 1.00 10.00 O ATOM 544 CB HIS A 34 5.065 -3.277 4.496 1.00 10.00 C ATOM 545 CG HIS A 34 4.158 -4.385 4.951 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.747 -5.433 4.151 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.580 -4.594 6.164 1.00 10.00 C ATOM 548 CE1 HIS A 34 2.953 -6.220 4.886 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.818 -5.755 6.116 1.00 10.00 N ATOM 0 H HIS A 34 5.517 -0.604 4.693 1.00 10.00 H new ATOM 0 HA HIS A 34 4.103 -2.404 2.793 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.801 -3.689 3.806 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.614 -2.898 5.358 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.003 -5.581 3.175 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.695 -3.958 7.029 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.482 -7.121 4.521 1.00 10.00 H new ATOM 557 N PHE A 35 1.949 -1.787 3.815 1.00 10.00 N ATOM 558 CA PHE A 35 0.659 -1.451 4.389 1.00 10.00 C ATOM 559 C PHE A 35 -0.280 -2.647 4.347 1.00 10.00 C ATOM 560 O PHE A 35 -0.140 -3.531 3.498 1.00 10.00 O ATOM 561 CB PHE A 35 0.037 -0.267 3.637 1.00 10.00 C ATOM 562 CG PHE A 35 -0.657 -0.652 2.357 1.00 10.00 C ATOM 563 CD1 PHE A 35 -2.029 -0.527 2.237 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.066 -1.139 1.278 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.672 -0.887 1.070 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.570 -1.501 0.110 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.941 -1.373 0.004 1.00 10.00 C ATOM 0 H PHE A 35 1.917 -2.056 2.832 1.00 10.00 H new ATOM 0 HA PHE A 35 0.812 -1.170 5.431 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.679 0.230 4.291 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.819 0.458 3.411 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.604 -0.143 3.066 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.139 -1.236 1.354 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.745 -0.789 0.991 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.003 -1.884 -0.721 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.441 -1.653 -0.912 1.00 10.00 H new ATOM 577 N LEU A 36 -1.230 -2.665 5.269 1.00 10.00 N ATOM 578 CA LEU A 36 -2.216 -3.730 5.336 1.00 10.00 C ATOM 579 C LEU A 36 -3.586 -3.179 4.962 1.00 10.00 C ATOM 580 O LEU A 36 -4.003 -2.138 5.471 1.00 10.00 O ATOM 581 CB LEU A 36 -2.266 -4.346 6.742 1.00 10.00 C ATOM 582 CG LEU A 36 -1.105 -5.279 7.099 1.00 10.00 C ATOM 583 CD1 LEU A 36 -1.333 -5.914 8.462 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.930 -6.355 6.041 1.00 10.00 C ATOM 0 H LEU A 36 -1.338 -1.948 5.986 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.930 -4.512 4.633 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.296 -3.537 7.472 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.199 -4.901 6.843 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.192 -4.684 7.137 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.499 -6.574 8.700 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.406 -5.134 9.219 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -2.258 -6.490 8.445 1.00 10.00 H new ATOM 0 HD21 LEU A 36 -0.100 -7.005 6.317 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.844 -6.945 5.967 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.721 -5.888 5.078 1.00 10.00 H new ATOM 596 N TYR A 37 -4.277 -3.863 4.066 1.00 10.00 N ATOM 597 CA TYR A 37 -5.599 -3.426 3.640 1.00 10.00 C ATOM 598 C TYR A 37 -6.599 -4.563 3.767 1.00 10.00 C ATOM 599 O TYR A 37 -6.244 -5.726 3.606 1.00 10.00 O ATOM 600 CB TYR A 37 -5.567 -2.899 2.194 1.00 10.00 C ATOM 601 CG TYR A 37 -5.315 -3.956 1.131 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.368 -4.687 0.581 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.029 -4.221 0.671 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.147 -5.641 -0.391 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.802 -5.177 -0.304 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.863 -5.886 -0.827 1.00 10.00 C ATOM 607 OH TYR A 37 -4.644 -6.838 -1.795 1.00 10.00 O ATOM 0 H TYR A 37 -3.948 -4.719 3.620 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.912 -2.610 4.291 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.517 -2.410 1.980 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.792 -2.137 2.118 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.376 -4.503 0.923 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.194 -3.672 1.081 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.976 -6.193 -0.808 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.798 -5.367 -0.654 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.855 -7.370 -1.559 1.00 10.00 H new ATOM 617 N ASP A 38 -7.844 -4.227 4.066 1.00 10.00 N ATOM 618 CA ASP A 38 -8.886 -5.232 4.203 1.00 10.00 C ATOM 619 C ASP A 38 -9.372 -5.658 2.829 1.00 10.00 C ATOM 620 O ASP A 38 -9.923 -4.852 2.078 1.00 10.00 O ATOM 621 CB ASP A 38 -10.060 -4.702 5.025 1.00 10.00 C ATOM 622 CG ASP A 38 -11.123 -5.761 5.244 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.828 -6.773 5.915 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.260 -5.584 4.753 1.00 10.00 O ATOM 0 H ASP A 38 -8.157 -3.268 4.218 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.465 -6.091 4.726 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.697 -4.348 5.990 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.501 -3.845 4.516 1.00 10.00 H new ATOM 629 N LEU A 39 -9.158 -6.918 2.497 1.00 10.00 N ATOM 630 CA LEU A 39 -9.569 -7.438 1.206 1.00 10.00 C ATOM 631 C LEU A 39 -11.029 -7.874 1.234 1.00 10.00 C ATOM 632 O LEU A 39 -11.797 -7.566 0.321 1.00 10.00 O ATOM 633 CB LEU A 39 -8.669 -8.606 0.795 1.00 10.00 C ATOM 634 CG LEU A 39 -9.024 -9.258 -0.543 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.767 -9.614 -1.313 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.876 -10.496 -0.318 1.00 10.00 C ATOM 0 H LEU A 39 -8.702 -7.600 3.103 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.469 -6.641 0.469 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.639 -8.252 0.747 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -8.709 -9.367 1.574 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.598 -8.543 -1.133 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -8.040 -10.077 -2.261 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.189 -8.710 -1.503 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.168 -10.312 -0.728 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.121 -10.949 -1.279 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.324 -11.212 0.291 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.796 -10.216 0.196 1.00 10.00 H new ATOM 648 N GLY A 40 -11.402 -8.597 2.280 1.00 10.00 N ATOM 649 CA GLY A 40 -12.764 -9.068 2.405 1.00 10.00 C ATOM 650 C GLY A 40 -12.831 -10.543 2.741 1.00 10.00 C ATOM 651 O GLY A 40 -11.896 -11.296 2.456 1.00 10.00 O ATOM 0 H GLY A 40 -10.784 -8.866 3.045 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.274 -8.497 3.181 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.297 -8.885 1.472 1.00 10.00 H new ATOM 655 N GLY A 41 -13.926 -10.957 3.364 1.00 10.00 N ATOM 656 CA GLY A 41 -14.089 -12.351 3.723 1.00 10.00 C ATOM 657 C GLY A 41 -13.415 -12.700 5.036 1.00 10.00 C ATOM 658 O GLY A 41 -13.502 -13.836 5.501 1.00 10.00 O ATOM 0 H GLY A 41 -14.704 -10.352 3.627 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.152 -12.582 3.792 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.678 -12.976 2.931 1.00 10.00 H new ATOM 662 N GLY A 42 -12.736 -11.727 5.628 1.00 10.00 N ATOM 663 CA GLY A 42 -12.060 -11.952 6.887 1.00 10.00 C ATOM 664 C GLY A 42 -10.560 -11.794 6.775 1.00 10.00 C ATOM 665 O GLY A 42 -9.887 -11.495 7.764 1.00 10.00 O ATOM 0 H GLY A 42 -12.642 -10.782 5.256 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.441 -11.252 7.631 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.291 -12.955 7.245 1.00 10.00 H new ATOM 669 N LYS A 43 -10.031 -11.968 5.573 1.00 10.00 N ATOM 670 CA LYS A 43 -8.596 -11.852 5.358 1.00 10.00 C ATOM 671 C LYS A 43 -8.217 -10.485 4.811 1.00 10.00 C ATOM 672 O LYS A 43 -9.006 -9.824 4.126 1.00 10.00 O ATOM 673 CB LYS A 43 -8.086 -12.950 4.419 1.00 10.00 C ATOM 674 CG LYS A 43 -8.880 -13.111 3.131 1.00 10.00 C ATOM 675 CD LYS A 43 -9.621 -14.442 3.103 1.00 10.00 C ATOM 676 CE LYS A 43 -8.666 -15.621 2.976 1.00 10.00 C ATOM 677 NZ LYS A 43 -8.248 -16.158 4.300 1.00 10.00 N ATOM 0 H LYS A 43 -10.570 -12.189 4.736 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.120 -11.973 6.331 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.048 -12.737 4.164 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.094 -13.899 4.955 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.594 -12.293 3.036 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.207 -13.048 2.276 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -10.210 -14.549 4.014 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.321 -14.450 2.268 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.145 -16.413 2.401 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.783 -15.311 2.417 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -8.234 -17.197 4.264 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -7.297 -15.807 4.532 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -8.920 -15.845 5.029 1.00 10.00 H new ATOM 691 N ALA A 44 -7.003 -10.071 5.129 1.00 10.00 N ATOM 692 CA ALA A 44 -6.479 -8.799 4.679 1.00 10.00 C ATOM 693 C ALA A 44 -5.333 -9.028 3.701 1.00 10.00 C ATOM 694 O ALA A 44 -4.796 -10.134 3.610 1.00 10.00 O ATOM 695 CB ALA A 44 -6.017 -7.968 5.870 1.00 10.00 C ATOM 0 H ALA A 44 -6.356 -10.608 5.706 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.268 -8.249 4.166 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -5.625 -7.014 5.518 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -6.860 -7.790 6.538 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.235 -8.505 6.407 1.00 10.00 H new ATOM 701 N GLY A 45 -4.974 -7.992 2.968 1.00 10.00 N ATOM 702 CA GLY A 45 -3.898 -8.095 2.011 1.00 10.00 C ATOM 703 C GLY A 45 -2.802 -7.093 2.292 1.00 10.00 C ATOM 704 O GLY A 45 -2.951 -6.226 3.158 1.00 10.00 O ATOM 0 H GLY A 45 -5.413 -7.073 3.019 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.484 -9.103 2.036 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.288 -7.935 1.006 1.00 10.00 H new ATOM 708 N MET A 46 -1.710 -7.192 1.554 1.00 10.00 N ATOM 709 CA MET A 46 -0.581 -6.289 1.731 1.00 10.00 C ATOM 710 C MET A 46 0.062 -5.955 0.392 1.00 10.00 C ATOM 711 O MET A 46 -0.183 -6.630 -0.607 1.00 10.00 O ATOM 712 CB MET A 46 0.453 -6.913 2.670 1.00 10.00 C ATOM 713 CG MET A 46 1.004 -8.246 2.191 1.00 10.00 C ATOM 714 SD MET A 46 1.775 -9.187 3.523 1.00 10.00 S ATOM 715 CE MET A 46 2.504 -10.536 2.605 1.00 10.00 C ATOM 0 H MET A 46 -1.579 -7.891 0.823 1.00 10.00 H new ATOM 0 HA MET A 46 -0.951 -5.364 2.174 1.00 10.00 H new ATOM 0 HB2 MET A 46 1.280 -6.215 2.797 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.001 -7.051 3.651 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.197 -8.834 1.754 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.735 -8.072 1.402 1.00 10.00 H new ATOM 0 HE1 MET A 46 1.989 -11.464 2.852 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.410 -10.342 1.537 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.559 -10.626 2.866 1.00 10.00 H new ATOM 725 N GLY A 47 0.884 -4.914 0.374 1.00 10.00 N ATOM 726 CA GLY A 47 1.545 -4.512 -0.854 1.00 10.00 C ATOM 727 C GLY A 47 2.702 -3.573 -0.605 1.00 10.00 C ATOM 728 O GLY A 47 2.546 -2.354 -0.664 1.00 10.00 O ATOM 0 H GLY A 47 1.105 -4.340 1.188 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.906 -5.398 -1.376 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.822 -4.027 -1.511 1.00 10.00 H new ATOM 732 N MET A 48 3.861 -4.142 -0.313 1.00 10.00 N ATOM 733 CA MET A 48 5.059 -3.355 -0.050 1.00 10.00 C ATOM 734 C MET A 48 5.538 -2.629 -1.309 1.00 10.00 C ATOM 735 O MET A 48 5.715 -3.243 -2.362 1.00 10.00 O ATOM 736 CB MET A 48 6.168 -4.257 0.495 1.00 10.00 C ATOM 737 CG MET A 48 7.355 -3.496 1.060 1.00 10.00 C ATOM 738 SD MET A 48 8.336 -4.483 2.208 1.00 10.00 S ATOM 739 CE MET A 48 8.795 -5.863 1.158 1.00 10.00 C ATOM 0 H MET A 48 3.999 -5.151 -0.252 1.00 10.00 H new ATOM 0 HA MET A 48 4.810 -2.600 0.696 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.753 -4.896 1.275 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.515 -4.913 -0.303 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.991 -3.162 0.240 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.998 -2.602 1.570 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.716 -6.312 1.529 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.999 -6.608 1.167 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.949 -5.509 0.139 1.00 10.00 H new ATOM 749 N VAL A 49 5.746 -1.324 -1.185 1.00 10.00 N ATOM 750 CA VAL A 49 6.204 -0.494 -2.291 1.00 10.00 C ATOM 751 C VAL A 49 7.322 0.433 -1.808 1.00 10.00 C ATOM 752 O VAL A 49 7.453 0.667 -0.609 1.00 10.00 O ATOM 753 CB VAL A 49 5.034 0.335 -2.878 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.583 1.417 -1.903 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.404 0.940 -4.223 1.00 10.00 C ATOM 0 H VAL A 49 5.602 -0.812 -0.315 1.00 10.00 H new ATOM 0 HA VAL A 49 6.588 -1.141 -3.080 1.00 10.00 H new ATOM 0 HB VAL A 49 4.198 -0.346 -3.037 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.761 1.983 -2.342 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.250 0.954 -0.974 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.415 2.089 -1.695 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.562 1.515 -4.607 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.266 1.596 -4.102 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.650 0.143 -4.925 1.00 10.00 H new ATOM 765 N SER A 50 8.138 0.940 -2.724 1.00 10.00 N ATOM 766 CA SER A 50 9.227 1.833 -2.351 1.00 10.00 C ATOM 767 C SER A 50 8.776 3.288 -2.434 1.00 10.00 C ATOM 768 O SER A 50 7.764 3.598 -3.068 1.00 10.00 O ATOM 769 CB SER A 50 10.438 1.606 -3.264 1.00 10.00 C ATOM 770 OG SER A 50 10.264 2.247 -4.517 1.00 10.00 O ATOM 0 H SER A 50 8.067 0.750 -3.724 1.00 10.00 H new ATOM 0 HA SER A 50 9.515 1.614 -1.323 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.338 1.986 -2.780 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.586 0.537 -3.417 1.00 10.00 H new ATOM 0 HG SER A 50 9.943 1.596 -5.175 1.00 10.00 H new ATOM 776 N GLU A 51 9.531 4.179 -1.797 1.00 10.00 N ATOM 777 CA GLU A 51 9.214 5.602 -1.817 1.00 10.00 C ATOM 778 C GLU A 51 9.517 6.186 -3.193 1.00 10.00 C ATOM 779 O GLU A 51 9.047 7.269 -3.539 1.00 10.00 O ATOM 780 CB GLU A 51 10.025 6.365 -0.765 1.00 10.00 C ATOM 781 CG GLU A 51 10.005 5.745 0.623 1.00 10.00 C ATOM 782 CD GLU A 51 10.779 6.571 1.630 1.00 10.00 C ATOM 783 OE1 GLU A 51 12.005 6.742 1.455 1.00 10.00 O ATOM 784 OE2 GLU A 51 10.164 7.078 2.589 1.00 10.00 O ATOM 0 H GLU A 51 10.366 3.940 -1.261 1.00 10.00 H new ATOM 0 HA GLU A 51 8.153 5.709 -1.591 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.059 6.434 -1.103 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.642 7.384 -0.699 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.973 5.641 0.958 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.428 4.741 0.577 1.00 10.00 H new ATOM 791 N LYS A 52 10.310 5.458 -3.969 1.00 10.00 N ATOM 792 CA LYS A 52 10.690 5.892 -5.306 1.00 10.00 C ATOM 793 C LYS A 52 9.609 5.524 -6.316 1.00 10.00 C ATOM 794 O LYS A 52 9.352 6.261 -7.269 1.00 10.00 O ATOM 795 CB LYS A 52 12.018 5.246 -5.711 1.00 10.00 C ATOM 796 CG LYS A 52 13.135 5.477 -4.707 1.00 10.00 C ATOM 797 CD LYS A 52 14.384 4.689 -5.069 1.00 10.00 C ATOM 798 CE LYS A 52 15.442 4.797 -3.983 1.00 10.00 C ATOM 799 NZ LYS A 52 16.667 4.022 -4.313 1.00 10.00 N ATOM 0 H LYS A 52 10.704 4.559 -3.692 1.00 10.00 H new ATOM 0 HA LYS A 52 10.806 6.976 -5.296 1.00 10.00 H new ATOM 0 HB2 LYS A 52 11.868 4.174 -5.836 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.324 5.640 -6.680 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.374 6.540 -4.665 1.00 10.00 H new ATOM 0 HG3 LYS A 52 12.797 5.187 -3.712 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.124 3.642 -5.222 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.789 5.058 -6.011 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.705 5.845 -3.838 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.030 4.438 -3.040 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.360 4.125 -3.545 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.422 3.018 -4.426 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.077 4.381 -5.199 1.00 10.00 H new ATOM 813 N ASP A 53 8.973 4.382 -6.090 1.00 10.00 N ATOM 814 CA ASP A 53 7.921 3.899 -6.976 1.00 10.00 C ATOM 815 C ASP A 53 6.594 4.581 -6.679 1.00 10.00 C ATOM 816 O ASP A 53 5.716 4.652 -7.540 1.00 10.00 O ATOM 817 CB ASP A 53 7.754 2.383 -6.842 1.00 10.00 C ATOM 818 CG ASP A 53 8.896 1.607 -7.468 1.00 10.00 C ATOM 819 OD1 ASP A 53 9.066 1.677 -8.706 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.631 0.926 -6.722 1.00 10.00 O ATOM 0 H ASP A 53 9.168 3.770 -5.297 1.00 10.00 H new ATOM 0 HA ASP A 53 8.219 4.140 -7.996 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.680 2.122 -5.786 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.817 2.083 -7.311 1.00 10.00 H new ATOM 825 N ALA A 54 6.453 5.078 -5.461 1.00 10.00 N ATOM 826 CA ALA A 54 5.234 5.752 -5.040 1.00 10.00 C ATOM 827 C ALA A 54 5.330 7.262 -5.247 1.00 10.00 C ATOM 828 O ALA A 54 6.323 7.886 -4.864 1.00 10.00 O ATOM 829 CB ALA A 54 4.947 5.441 -3.580 1.00 10.00 C ATOM 0 H ALA A 54 7.174 5.027 -4.741 1.00 10.00 H new ATOM 0 HA ALA A 54 4.415 5.382 -5.657 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.033 5.949 -3.273 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.824 4.365 -3.455 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.778 5.785 -2.964 1.00 10.00 H new ATOM 835 N PRO A 55 4.307 7.871 -5.875 1.00 10.00 N ATOM 836 CA PRO A 55 4.271 9.313 -6.112 1.00 10.00 C ATOM 837 C PRO A 55 4.072 10.089 -4.815 1.00 10.00 C ATOM 838 O PRO A 55 3.431 9.596 -3.886 1.00 10.00 O ATOM 839 CB PRO A 55 3.060 9.515 -7.038 1.00 10.00 C ATOM 840 CG PRO A 55 2.631 8.153 -7.466 1.00 10.00 C ATOM 841 CD PRO A 55 3.113 7.201 -6.412 1.00 10.00 C ATOM 0 HA PRO A 55 5.205 9.675 -6.542 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.254 10.031 -6.517 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.327 10.128 -7.899 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.547 8.102 -7.567 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.054 7.901 -8.438 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.360 7.040 -5.640 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.354 6.224 -6.831 1.00 10.00 H new ATOM 849 N LYS A 56 4.602 11.306 -4.768 1.00 10.00 N ATOM 850 CA LYS A 56 4.499 12.155 -3.583 1.00 10.00 C ATOM 851 C LYS A 56 3.043 12.411 -3.199 1.00 10.00 C ATOM 852 O LYS A 56 2.726 12.560 -2.017 1.00 10.00 O ATOM 853 CB LYS A 56 5.216 13.485 -3.813 1.00 10.00 C ATOM 854 CG LYS A 56 6.729 13.371 -3.770 1.00 10.00 C ATOM 855 CD LYS A 56 7.394 14.714 -4.011 1.00 10.00 C ATOM 856 CE LYS A 56 8.908 14.585 -4.075 1.00 10.00 C ATOM 857 NZ LYS A 56 9.556 15.865 -4.458 1.00 10.00 N ATOM 0 H LYS A 56 5.112 11.731 -5.543 1.00 10.00 H new ATOM 0 HA LYS A 56 4.979 11.625 -2.760 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.917 13.888 -4.781 1.00 10.00 H new ATOM 0 HB3 LYS A 56 4.891 14.200 -3.057 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.038 12.979 -2.801 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.063 12.658 -4.524 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.025 15.141 -4.943 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.120 15.405 -3.213 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.286 14.262 -3.105 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.177 13.812 -4.795 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.587 15.736 -4.491 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.214 16.160 -5.395 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.321 16.597 -3.757 1.00 10.00 H new ATOM 871 N GLU A 57 2.168 12.470 -4.200 1.00 10.00 N ATOM 872 CA GLU A 57 0.743 12.693 -3.971 1.00 10.00 C ATOM 873 C GLU A 57 0.164 11.590 -3.088 1.00 10.00 C ATOM 874 O GLU A 57 -0.410 11.857 -2.029 1.00 10.00 O ATOM 875 CB GLU A 57 -0.005 12.726 -5.305 1.00 10.00 C ATOM 876 CG GLU A 57 -1.504 12.944 -5.164 1.00 10.00 C ATOM 877 CD GLU A 57 -1.893 14.398 -5.314 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.897 14.893 -6.463 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.207 15.048 -4.295 1.00 10.00 O ATOM 0 H GLU A 57 2.423 12.366 -5.182 1.00 10.00 H new ATOM 0 HA GLU A 57 0.622 13.651 -3.465 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.411 13.520 -5.925 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.168 11.787 -5.831 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -2.027 12.352 -5.915 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.831 12.582 -4.189 1.00 10.00 H new ATOM 886 N LEU A 58 0.345 10.350 -3.523 1.00 10.00 N ATOM 887 CA LEU A 58 -0.156 9.198 -2.788 1.00 10.00 C ATOM 888 C LEU A 58 0.658 8.990 -1.516 1.00 10.00 C ATOM 889 O LEU A 58 0.151 8.479 -0.521 1.00 10.00 O ATOM 890 CB LEU A 58 -0.108 7.945 -3.664 1.00 10.00 C ATOM 891 CG LEU A 58 -0.857 8.051 -4.996 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.764 6.739 -5.759 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.313 8.435 -4.768 1.00 10.00 C ATOM 0 H LEU A 58 0.837 10.117 -4.385 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.193 9.385 -2.511 1.00 10.00 H new ATOM 0 HB2 LEU A 58 0.935 7.705 -3.870 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.521 7.110 -3.099 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.389 8.834 -5.592 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.301 6.829 -6.704 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.282 6.507 -5.957 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.207 5.940 -5.164 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.825 8.505 -5.727 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.797 7.677 -4.152 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.360 9.399 -4.261 1.00 10.00 H new ATOM 905 N LEU A 59 1.920 9.401 -1.556 1.00 10.00 N ATOM 906 CA LEU A 59 2.808 9.281 -0.408 1.00 10.00 C ATOM 907 C LEU A 59 2.276 10.111 0.757 1.00 10.00 C ATOM 908 O LEU A 59 2.373 9.711 1.915 1.00 10.00 O ATOM 909 CB LEU A 59 4.217 9.740 -0.787 1.00 10.00 C ATOM 910 CG LEU A 59 5.333 9.299 0.159 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.371 7.785 0.272 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.673 9.829 -0.326 1.00 10.00 C ATOM 0 H LEU A 59 2.353 9.823 -2.378 1.00 10.00 H new ATOM 0 HA LEU A 59 2.850 8.236 -0.100 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.444 9.368 -1.786 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.222 10.829 -0.843 1.00 10.00 H new ATOM 0 HG LEU A 59 5.131 9.711 1.148 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.172 7.491 0.950 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.418 7.425 0.659 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.550 7.351 -0.712 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.460 9.508 0.357 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.878 9.442 -1.324 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.643 10.918 -0.359 1.00 10.00 H new ATOM 924 N GLN A 60 1.696 11.263 0.436 1.00 10.00 N ATOM 925 CA GLN A 60 1.127 12.139 1.450 1.00 10.00 C ATOM 926 C GLN A 60 -0.105 11.483 2.063 1.00 10.00 C ATOM 927 O GLN A 60 -0.416 11.682 3.236 1.00 10.00 O ATOM 928 CB GLN A 60 0.763 13.498 0.845 1.00 10.00 C ATOM 929 CG GLN A 60 0.359 14.538 1.881 1.00 10.00 C ATOM 930 CD GLN A 60 1.484 14.897 2.835 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.714 14.887 2.341 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 1.250 15.193 4.007 1.00 10.00 N flip ATOM 0 H GLN A 60 1.608 11.610 -0.519 1.00 10.00 H new ATOM 0 HA GLN A 60 1.869 12.303 2.231 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.615 13.874 0.278 1.00 10.00 H new ATOM 0 HB3 GLN A 60 -0.056 13.364 0.138 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.023 15.440 1.370 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.489 14.161 2.454 1.00 10.00 H new ATOM 0 HE21 GLN A 60 0.290 15.190 4.352 1.00 10.00 H new ATOM 0 HE22 GLN A 60 2.016 15.442 4.633 1.00 10.00 H new ATOM 941 N MET A 61 -0.797 10.690 1.253 1.00 10.00 N ATOM 942 CA MET A 61 -1.987 9.979 1.705 1.00 10.00 C ATOM 943 C MET A 61 -1.582 8.824 2.607 1.00 10.00 C ATOM 944 O MET A 61 -2.266 8.504 3.580 1.00 10.00 O ATOM 945 CB MET A 61 -2.789 9.459 0.512 1.00 10.00 C ATOM 946 CG MET A 61 -3.303 10.556 -0.406 1.00 10.00 C ATOM 947 SD MET A 61 -4.066 9.912 -1.909 1.00 10.00 S ATOM 948 CE MET A 61 -5.500 9.076 -1.232 1.00 10.00 C ATOM 0 H MET A 61 -0.553 10.523 0.277 1.00 10.00 H new ATOM 0 HA MET A 61 -2.616 10.670 2.266 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.164 8.778 -0.065 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.636 8.880 0.880 1.00 10.00 H new ATOM 0 HG2 MET A 61 -4.030 11.163 0.133 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.477 11.213 -0.677 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.214 8.875 -2.030 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.191 8.135 -0.776 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.968 9.709 -0.478 1.00 10.00 H new ATOM 958 N LEU A 62 -0.452 8.212 2.278 1.00 10.00 N ATOM 959 CA LEU A 62 0.076 7.100 3.054 1.00 10.00 C ATOM 960 C LEU A 62 0.488 7.572 4.437 1.00 10.00 C ATOM 961 O LEU A 62 0.310 6.860 5.420 1.00 10.00 O ATOM 962 CB LEU A 62 1.271 6.462 2.339 1.00 10.00 C ATOM 963 CG LEU A 62 0.943 5.790 1.006 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.192 5.177 0.395 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.137 4.734 1.189 1.00 10.00 C ATOM 0 H LEU A 62 0.119 8.470 1.473 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.708 6.350 3.156 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.024 7.231 2.166 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.718 5.721 3.002 1.00 10.00 H new ATOM 0 HG LEU A 62 0.565 6.551 0.323 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.938 4.703 -0.553 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.934 5.957 0.224 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.601 4.430 1.076 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.356 4.267 0.229 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.211 3.975 1.890 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.041 5.202 1.580 1.00 10.00 H new ATOM 977 N GLU A 63 1.028 8.784 4.506 1.00 10.00 N ATOM 978 CA GLU A 63 1.451 9.360 5.776 1.00 10.00 C ATOM 979 C GLU A 63 0.253 9.558 6.697 1.00 10.00 C ATOM 980 O GLU A 63 0.356 9.381 7.907 1.00 10.00 O ATOM 981 CB GLU A 63 2.156 10.700 5.560 1.00 10.00 C ATOM 982 CG GLU A 63 3.493 10.581 4.847 1.00 10.00 C ATOM 983 CD GLU A 63 4.465 9.666 5.567 1.00 10.00 C ATOM 984 OE1 GLU A 63 5.048 10.093 6.585 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.656 8.523 5.112 1.00 10.00 O ATOM 0 H GLU A 63 1.183 9.386 3.697 1.00 10.00 H new ATOM 0 HA GLU A 63 2.151 8.665 6.240 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.503 11.354 4.982 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.312 11.178 6.527 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.329 10.206 3.837 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.937 11.572 4.751 1.00 10.00 H new ATOM 992 N LYS A 64 -0.886 9.914 6.112 1.00 10.00 N ATOM 993 CA LYS A 64 -2.111 10.135 6.877 1.00 10.00 C ATOM 994 C LYS A 64 -2.668 8.821 7.417 1.00 10.00 C ATOM 995 O LYS A 64 -3.390 8.805 8.414 1.00 10.00 O ATOM 996 CB LYS A 64 -3.164 10.832 6.009 1.00 10.00 C ATOM 997 CG LYS A 64 -2.923 12.324 5.846 1.00 10.00 C ATOM 998 CD LYS A 64 -4.024 12.987 5.031 1.00 10.00 C ATOM 999 CE LYS A 64 -3.681 13.021 3.552 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.706 13.747 2.760 1.00 10.00 N ATOM 0 H LYS A 64 -0.988 10.056 5.107 1.00 10.00 H new ATOM 0 HA LYS A 64 -1.865 10.776 7.724 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.179 10.365 5.024 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.148 10.677 6.451 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.865 12.793 6.828 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.962 12.486 5.358 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.960 12.447 5.176 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.183 14.003 5.392 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -2.711 13.500 3.416 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -3.589 12.001 3.178 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.434 13.747 1.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.627 13.276 2.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -4.777 14.728 3.099 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.316 7.719 6.766 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.783 6.400 7.182 1.00 10.00 C ATOM 1016 C GLN A 65 -1.652 5.622 7.848 1.00 10.00 C ATOM 1017 O GLN A 65 -1.783 4.433 8.148 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.321 5.627 5.975 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.465 6.333 5.262 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.695 6.497 6.135 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.973 5.503 6.965 1.00 10.00 O flip ATOM 1022 NE2 GLN A 65 -6.398 7.504 6.052 1.00 10.00 N flip ATOM 0 H GLN A 65 -1.708 7.711 5.947 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.589 6.526 7.905 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.508 5.463 5.267 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.660 4.645 6.304 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.128 7.315 4.930 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.733 5.769 4.369 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.149 8.247 5.400 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.230 7.595 6.636 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.541 6.311 8.071 1.00 10.00 N ATOM 1032 CA LYS A 66 0.630 5.716 8.700 1.00 10.00 C ATOM 1033 C LYS A 66 0.361 5.458 10.177 1.00 10.00 C ATOM 1034 O LYS A 66 0.005 6.375 10.922 1.00 10.00 O ATOM 1035 CB LYS A 66 1.838 6.644 8.532 1.00 10.00 C ATOM 1036 CG LYS A 66 3.152 6.059 9.025 1.00 10.00 C ATOM 1037 CD LYS A 66 4.320 6.990 8.728 1.00 10.00 C ATOM 1038 CE LYS A 66 4.195 8.309 9.478 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.239 9.285 9.073 1.00 10.00 N ATOM 0 H LYS A 66 -0.426 7.294 7.822 1.00 10.00 H new ATOM 0 HA LYS A 66 0.847 4.763 8.217 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.941 6.899 7.477 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.644 7.573 9.068 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.092 5.879 10.098 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.324 5.094 8.549 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.254 6.501 9.005 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.367 7.184 7.656 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.209 8.737 9.295 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.269 8.124 10.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.376 9.982 9.833 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.133 8.784 8.897 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.939 9.774 8.205 1.00 10.00 H new ATOM 1053 N LYS A 67 0.522 4.210 10.590 1.00 10.00 N ATOM 1054 CA LYS A 67 0.291 3.816 11.978 1.00 10.00 C ATOM 1055 C LYS A 67 1.392 2.878 12.450 1.00 10.00 C ATOM 1056 O LYS A 67 2.028 2.203 11.634 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.072 3.128 12.123 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.252 4.028 11.791 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.544 3.234 11.680 1.00 10.00 C ATOM 1060 CE LYS A 67 -4.706 4.112 11.244 1.00 10.00 C ATOM 1061 NZ LYS A 67 -5.918 3.310 10.911 1.00 10.00 N ATOM 0 H LYS A 67 0.814 3.445 9.981 1.00 10.00 H new ATOM 0 HA LYS A 67 0.299 4.715 12.594 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.099 2.254 11.472 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.179 2.766 13.146 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.358 4.791 12.562 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.061 4.548 10.852 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.412 2.422 10.964 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -3.774 2.777 12.642 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -4.946 4.818 12.039 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.410 4.700 10.375 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.676 3.944 10.586 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.689 2.631 10.158 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.237 2.795 11.756 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.713 -12.324 -0.640 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.494 -12.282 -1.427 1.00 10.00 C ATOM 1107 C GLU B 6 0.741 -12.309 -0.525 1.00 10.00 C ATOM 1108 O GLU B 6 0.633 -12.226 0.703 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.470 -11.044 -2.336 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.439 -9.715 -1.590 1.00 10.00 C ATOM 1111 CD GLU B 6 -1.786 -9.314 -1.018 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.581 -8.669 -1.739 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -2.050 -9.640 0.157 1.00 10.00 O ATOM 0 HA GLU B 6 -0.474 -13.170 -2.059 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.403 -11.102 -2.986 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.349 -11.064 -2.980 1.00 10.00 H new ATOM 0 HG2 GLU B 6 0.287 -9.778 -0.780 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.093 -8.934 -2.268 1.00 10.00 H new ATOM 1120 N GLU B 7 1.912 -12.434 -1.141 1.00 10.00 N ATOM 1121 CA GLU B 7 3.171 -12.481 -0.406 1.00 10.00 C ATOM 1122 C GLU B 7 4.159 -11.470 -0.977 1.00 10.00 C ATOM 1123 O GLU B 7 3.993 -11.003 -2.105 1.00 10.00 O ATOM 1124 CB GLU B 7 3.779 -13.883 -0.487 1.00 10.00 C ATOM 1125 CG GLU B 7 2.791 -15.002 -0.196 1.00 10.00 C ATOM 1126 CD GLU B 7 3.291 -16.345 -0.673 1.00 10.00 C ATOM 1127 OE1 GLU B 7 3.748 -17.148 0.167 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.233 -16.609 -1.891 1.00 10.00 O ATOM 0 H GLU B 7 2.015 -12.505 -2.153 1.00 10.00 H new ATOM 0 HA GLU B 7 2.967 -12.234 0.636 1.00 10.00 H new ATOM 0 HB2 GLU B 7 4.196 -14.030 -1.483 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.607 -13.950 0.219 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.602 -15.047 0.876 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.840 -14.778 -0.679 1.00 10.00 H new ATOM 1135 N GLU B 8 5.177 -11.133 -0.197 1.00 10.00 N ATOM 1136 CA GLU B 8 6.201 -10.192 -0.633 1.00 10.00 C ATOM 1137 C GLU B 8 7.577 -10.838 -0.534 1.00 10.00 C ATOM 1138 O GLU B 8 7.695 -12.053 -0.339 1.00 10.00 O ATOM 1139 CB GLU B 8 6.174 -8.915 0.214 1.00 10.00 C ATOM 1140 CG GLU B 8 4.807 -8.261 0.330 1.00 10.00 C ATOM 1141 CD GLU B 8 4.680 -7.439 1.598 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.034 -6.373 1.557 1.00 10.00 O ATOM 1143 OE2 GLU B 8 5.244 -7.854 2.637 1.00 10.00 O ATOM 0 H GLU B 8 5.316 -11.499 0.745 1.00 10.00 H new ATOM 0 HA GLU B 8 5.994 -9.925 -1.669 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.535 -9.151 1.215 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.871 -8.195 -0.215 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.636 -7.622 -0.536 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.034 -9.030 0.317 1.00 10.00 H new ATOM 1150 N GLY B 9 8.612 -10.030 -0.677 1.00 10.00 N ATOM 1151 CA GLY B 9 9.962 -10.535 -0.590 1.00 10.00 C ATOM 1152 C GLY B 9 10.945 -9.607 -1.255 1.00 10.00 C ATOM 1153 O GLY B 9 11.438 -9.888 -2.347 1.00 10.00 O ATOM 0 H GLY B 9 8.540 -9.028 -0.853 1.00 10.00 H new ATOM 0 HA2 GLY B 9 10.235 -10.666 0.457 1.00 10.00 H new ATOM 0 HA3 GLY B 9 10.014 -11.518 -1.058 1.00 10.00 H new ATOM 1157 N GLU B 10 11.207 -8.486 -0.608 1.00 10.00 N ATOM 1158 CA GLU B 10 12.131 -7.498 -1.137 1.00 10.00 C ATOM 1159 C GLU B 10 13.459 -7.573 -0.402 1.00 10.00 C ATOM 1160 O GLU B 10 13.492 -7.762 0.815 1.00 10.00 O ATOM 1161 CB GLU B 10 11.545 -6.093 -0.999 1.00 10.00 C ATOM 1162 CG GLU B 10 10.658 -5.662 -2.161 1.00 10.00 C ATOM 1163 CD GLU B 10 9.754 -6.771 -2.670 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.122 -7.430 -3.667 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.679 -6.996 -2.078 1.00 10.00 O ATOM 0 H GLU B 10 10.791 -8.236 0.289 1.00 10.00 H new ATOM 0 HA GLU B 10 12.295 -7.711 -2.193 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.965 -6.044 -0.078 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.363 -5.380 -0.899 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.044 -4.818 -1.847 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.287 -5.312 -2.979 1.00 10.00 H new ATOM 1172 N GLU B 11 14.546 -7.455 -1.138 1.00 10.00 N ATOM 1173 CA GLU B 11 15.867 -7.496 -0.545 1.00 10.00 C ATOM 1174 C GLU B 11 16.245 -6.123 -0.005 1.00 10.00 C ATOM 1175 O GLU B 11 16.785 -5.279 -0.726 1.00 10.00 O ATOM 1176 CB GLU B 11 16.899 -7.970 -1.569 1.00 10.00 C ATOM 1177 CG GLU B 11 18.236 -8.349 -0.955 1.00 10.00 C ATOM 1178 CD GLU B 11 18.096 -9.373 0.151 1.00 10.00 C ATOM 1179 OE1 GLU B 11 18.240 -9.001 1.336 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.836 -10.551 -0.150 1.00 10.00 O ATOM 0 H GLU B 11 14.540 -7.330 -2.150 1.00 10.00 H new ATOM 0 HA GLU B 11 15.854 -8.205 0.283 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.498 -8.830 -2.105 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.057 -7.181 -2.305 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.890 -8.745 -1.732 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.717 -7.455 -0.559 1.00 10.00 H new ATOM 1187 N TYR B 12 15.931 -5.901 1.264 1.00 10.00 N ATOM 1188 CA TYR B 12 16.234 -4.638 1.923 1.00 10.00 C ATOM 1189 C TYR B 12 17.732 -4.531 2.187 1.00 10.00 C ATOM 1190 O TYR B 12 18.389 -5.533 2.479 1.00 10.00 O ATOM 1191 CB TYR B 12 15.468 -4.531 3.245 1.00 10.00 C ATOM 1192 CG TYR B 12 15.102 -3.112 3.634 1.00 10.00 C ATOM 1193 CD1 TYR B 12 15.997 -2.060 3.457 1.00 10.00 C ATOM 1194 CD2 TYR B 12 13.862 -2.828 4.191 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.661 -0.767 3.816 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.518 -1.539 4.549 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.422 -0.513 4.365 1.00 10.00 C ATOM 1198 OH TYR B 12 14.085 0.771 4.729 1.00 10.00 O ATOM 0 H TYR B 12 15.464 -6.584 1.861 1.00 10.00 H new ATOM 0 HA TYR B 12 15.926 -3.823 1.268 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.556 -5.124 3.173 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.072 -4.970 4.039 1.00 10.00 H new ATOM 0 HD1 TYR B 12 16.970 -2.257 3.032 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.154 -3.629 4.347 1.00 10.00 H new ATOM 0 HE1 TYR B 12 16.365 0.039 3.667 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.545 -1.335 4.971 1.00 10.00 H new ATOM 0 HH TYR B 12 13.485 0.745 5.503 1.00 10.00 H new