USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 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 -159:sc= 1.42 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -125:sc= -0.0889 (180deg=-1.28) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.486) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 11 TYR OH : rot 25:sc= 0.787 USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= 1.56 (180deg=0.721) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= 1.29 (180deg=0.716) USER MOD Single : A 17 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.3) USER MOD Single : A 21 SER OG : rot -74:sc= 1.23 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+ -144:sc= 1.2 (180deg=1.03) USER MOD Single : A 34 HIS : no HE2:sc= -1.55! C(o=-1.6!,f=-3.2!) USER MOD Single : A 37 TYR OH : rot -163:sc= 1.26 USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -0.977 (180deg=-2.19!) USER MOD Single : A 46 MET CE :methyl -128:sc= -0.0396 (180deg=-1.21) USER MOD Single : A 48 MET CE :methyl 158:sc= -2.79! (180deg=-4.78!) USER MOD Single : A 50 SER OG : rot -105:sc= 1.65 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 : amide:sc= -0.736 K(o=-0.74,f=-0.18) USER MOD Single : A 61 MET CE :methyl 174:sc= -0.385 (180deg=-0.507) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.703 K(o=-0.7,f=-0.0012) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= 0.838 (180deg=-0.214!) USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= 0.89 (180deg=0.89) USER MOD Single : B 12 TYR OH : rot -118:sc= 2.14 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.477 3.471 -4.982 1.00 10.00 N ATOM 9 CA SER A 2 -16.929 4.130 -3.813 1.00 10.00 C ATOM 10 C SER A 2 -16.785 5.626 -4.064 1.00 10.00 C ATOM 11 O SER A 2 -16.462 6.054 -5.174 1.00 10.00 O ATOM 12 CB SER A 2 -15.572 3.517 -3.453 1.00 10.00 C ATOM 13 OG SER A 2 -14.977 4.175 -2.346 1.00 10.00 O ATOM 0 HA SER A 2 -17.613 3.986 -2.977 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.700 2.459 -3.222 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.906 3.577 -4.313 1.00 10.00 H new ATOM 0 HG SER A 2 -14.013 4.000 -2.341 1.00 10.00 H new ATOM 19 N HIS A 3 -17.043 6.413 -3.036 1.00 10.00 N ATOM 20 CA HIS A 3 -16.931 7.862 -3.134 1.00 10.00 C ATOM 21 C HIS A 3 -15.572 8.308 -2.613 1.00 10.00 C ATOM 22 O HIS A 3 -15.241 9.493 -2.621 1.00 10.00 O ATOM 23 CB HIS A 3 -18.044 8.547 -2.332 1.00 10.00 C ATOM 24 CG HIS A 3 -19.422 8.352 -2.890 1.00 10.00 C ATOM 25 ND1 HIS A 3 -20.540 8.756 -2.194 1.00 10.00 N ATOM 26 CD2 HIS A 3 -19.811 7.793 -4.062 1.00 10.00 C ATOM 27 CE1 HIS A 3 -21.574 8.437 -2.953 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.179 7.853 -4.092 1.00 10.00 N ATOM 0 H HIS A 3 -17.333 6.074 -2.119 1.00 10.00 H new ATOM 0 HA HIS A 3 -17.032 8.148 -4.181 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.023 8.170 -1.310 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.834 9.615 -2.282 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -19.167 7.380 -4.824 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -22.605 8.623 -2.689 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.784 7.516 -4.841 1.00 10.00 H new ATOM 36 N MET A 4 -14.789 7.333 -2.172 1.00 10.00 N ATOM 37 CA MET A 4 -13.467 7.591 -1.622 1.00 10.00 C ATOM 38 C MET A 4 -12.431 7.725 -2.732 1.00 10.00 C ATOM 39 O MET A 4 -12.769 7.934 -3.898 1.00 10.00 O ATOM 40 CB MET A 4 -13.057 6.466 -0.662 1.00 10.00 C ATOM 41 CG MET A 4 -14.164 6.010 0.276 1.00 10.00 C ATOM 42 SD MET A 4 -14.721 7.309 1.395 1.00 10.00 S ATOM 43 CE MET A 4 -13.280 7.501 2.445 1.00 10.00 C ATOM 0 H MET A 4 -15.051 6.347 -2.185 1.00 10.00 H new ATOM 0 HA MET A 4 -13.511 8.531 -1.072 1.00 10.00 H new ATOM 0 HB2 MET A 4 -12.717 5.611 -1.247 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.208 6.803 -0.067 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.011 5.659 -0.314 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.810 5.161 0.861 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.571 7.377 3.488 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.537 6.748 2.184 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.856 8.495 2.302 1.00 10.00 H new ATOM 53 N ALA A 5 -11.166 7.613 -2.361 1.00 10.00 N ATOM 54 CA ALA A 5 -10.078 7.722 -3.316 1.00 10.00 C ATOM 55 C ALA A 5 -9.306 6.414 -3.401 1.00 10.00 C ATOM 56 O ALA A 5 -9.034 5.777 -2.383 1.00 10.00 O ATOM 57 CB ALA A 5 -9.148 8.865 -2.932 1.00 10.00 C ATOM 0 H ALA A 5 -10.867 7.446 -1.400 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.502 7.934 -4.298 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.337 8.934 -3.657 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.707 9.801 -2.922 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.733 8.679 -1.941 1.00 10.00 H new ATOM 63 N THR A 6 -8.973 6.010 -4.613 1.00 10.00 N ATOM 64 CA THR A 6 -8.226 4.787 -4.828 1.00 10.00 C ATOM 65 C THR A 6 -6.741 5.090 -4.998 1.00 10.00 C ATOM 66 O THR A 6 -6.363 5.981 -5.763 1.00 10.00 O ATOM 67 CB THR A 6 -8.754 4.030 -6.060 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.521 4.920 -6.888 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.620 2.849 -5.641 1.00 10.00 C ATOM 0 H THR A 6 -9.210 6.515 -5.467 1.00 10.00 H new ATOM 0 HA THR A 6 -8.358 4.154 -3.951 1.00 10.00 H new ATOM 0 HB THR A 6 -7.900 3.652 -6.622 1.00 10.00 H new ATOM 0 HG1 THR A 6 -9.853 4.433 -7.671 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.981 2.330 -6.529 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.030 2.162 -5.034 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.469 3.209 -5.060 1.00 10.00 H new ATOM 77 N VAL A 7 -5.907 4.364 -4.270 1.00 10.00 N ATOM 78 CA VAL A 7 -4.467 4.565 -4.334 1.00 10.00 C ATOM 79 C VAL A 7 -3.804 3.460 -5.148 1.00 10.00 C ATOM 80 O VAL A 7 -4.093 2.277 -4.955 1.00 10.00 O ATOM 81 CB VAL A 7 -3.840 4.593 -2.923 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.462 5.231 -2.961 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.741 5.324 -1.940 1.00 10.00 C ATOM 0 H VAL A 7 -6.203 3.629 -3.627 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.298 5.528 -4.817 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.733 3.563 -2.582 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.038 5.241 -1.957 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.814 4.657 -3.623 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.544 6.253 -3.330 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.276 5.329 -0.954 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.890 6.350 -2.276 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.705 4.818 -1.884 1.00 10.00 H new ATOM 93 N LYS A 8 -2.928 3.849 -6.067 1.00 10.00 N ATOM 94 CA LYS A 8 -2.214 2.893 -6.901 1.00 10.00 C ATOM 95 C LYS A 8 -0.899 2.504 -6.239 1.00 10.00 C ATOM 96 O LYS A 8 -0.189 3.357 -5.708 1.00 10.00 O ATOM 97 CB LYS A 8 -1.938 3.477 -8.291 1.00 10.00 C ATOM 98 CG LYS A 8 -3.089 3.306 -9.269 1.00 10.00 C ATOM 99 CD LYS A 8 -2.623 3.493 -10.705 1.00 10.00 C ATOM 100 CE LYS A 8 -3.759 3.291 -11.694 1.00 10.00 C ATOM 101 NZ LYS A 8 -3.265 3.227 -13.096 1.00 10.00 N ATOM 0 H LYS A 8 -2.695 4.825 -6.253 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.840 2.008 -7.015 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.714 4.539 -8.190 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.049 3.001 -8.704 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.525 2.314 -9.152 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -3.873 4.028 -9.041 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.209 4.494 -10.826 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -1.821 2.787 -10.922 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.291 2.371 -11.454 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -4.475 4.107 -11.598 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -3.939 2.690 -13.677 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.172 4.191 -13.476 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -2.338 2.756 -13.116 1.00 10.00 H new ATOM 115 N PHE A 9 -0.583 1.220 -6.273 1.00 10.00 N ATOM 116 CA PHE A 9 0.642 0.716 -5.674 1.00 10.00 C ATOM 117 C PHE A 9 1.401 -0.163 -6.656 1.00 10.00 C ATOM 118 O PHE A 9 0.801 -0.876 -7.461 1.00 10.00 O ATOM 119 CB PHE A 9 0.326 -0.080 -4.403 1.00 10.00 C ATOM 120 CG PHE A 9 -0.290 0.746 -3.309 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.663 0.753 -3.114 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.506 1.518 -2.476 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.229 1.515 -2.112 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.056 2.282 -1.470 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.424 2.281 -1.289 1.00 10.00 C ATOM 0 H PHE A 9 -1.162 0.504 -6.712 1.00 10.00 H new ATOM 0 HA PHE A 9 1.267 1.570 -5.414 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.351 -0.896 -4.655 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.245 -0.532 -4.031 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.296 0.156 -3.753 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.577 1.522 -2.615 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.300 1.513 -1.971 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.574 2.878 -0.827 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.866 2.878 -0.505 1.00 10.00 H new ATOM 135 N LYS A 10 2.723 -0.095 -6.593 1.00 10.00 N ATOM 136 CA LYS A 10 3.582 -0.893 -7.460 1.00 10.00 C ATOM 137 C LYS A 10 4.166 -2.067 -6.673 1.00 10.00 C ATOM 138 O LYS A 10 5.386 -2.236 -6.570 1.00 10.00 O ATOM 139 CB LYS A 10 4.694 -0.017 -8.042 1.00 10.00 C ATOM 140 CG LYS A 10 5.364 -0.601 -9.277 1.00 10.00 C ATOM 141 CD LYS A 10 6.252 0.431 -9.953 1.00 10.00 C ATOM 142 CE LYS A 10 7.273 -0.213 -10.878 1.00 10.00 C ATOM 143 NZ LYS A 10 8.331 0.750 -11.282 1.00 10.00 N ATOM 0 H LYS A 10 3.229 0.509 -5.945 1.00 10.00 H new ATOM 0 HA LYS A 10 2.993 -1.292 -8.286 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.278 0.959 -8.295 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.451 0.148 -7.275 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.959 -1.470 -8.996 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.605 -0.948 -9.978 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.633 1.124 -10.523 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.770 1.017 -9.193 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.730 -1.067 -10.378 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.770 -0.595 -11.766 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.009 0.276 -11.912 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.897 1.553 -11.781 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.827 1.095 -10.436 1.00 10.00 H new ATOM 157 N TYR A 11 3.274 -2.875 -6.126 1.00 10.00 N ATOM 158 CA TYR A 11 3.650 -4.028 -5.322 1.00 10.00 C ATOM 159 C TYR A 11 4.296 -5.112 -6.183 1.00 10.00 C ATOM 160 O TYR A 11 3.692 -5.601 -7.139 1.00 10.00 O ATOM 161 CB TYR A 11 2.408 -4.566 -4.595 1.00 10.00 C ATOM 162 CG TYR A 11 2.372 -6.072 -4.435 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.277 -6.724 -3.616 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.434 -6.838 -5.113 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.252 -8.093 -3.480 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.402 -8.215 -4.977 1.00 10.00 C ATOM 167 CZ TYR A 11 2.315 -8.835 -4.159 1.00 10.00 C ATOM 168 OH TYR A 11 2.295 -10.205 -4.017 1.00 10.00 O ATOM 0 H TYR A 11 2.267 -2.751 -6.226 1.00 10.00 H new ATOM 0 HA TYR A 11 4.390 -3.721 -4.583 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.355 -4.108 -3.607 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.519 -4.251 -5.141 1.00 10.00 H new ATOM 0 HD1 TYR A 11 4.014 -6.149 -3.075 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.717 -6.351 -5.758 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.969 -8.585 -2.839 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.665 -8.798 -5.510 1.00 10.00 H new ATOM 0 HH TYR A 11 2.701 -10.451 -3.160 1.00 10.00 H new ATOM 178 N LYS A 12 5.540 -5.457 -5.843 1.00 10.00 N ATOM 179 CA LYS A 12 6.316 -6.485 -6.553 1.00 10.00 C ATOM 180 C LYS A 12 6.532 -6.130 -8.032 1.00 10.00 C ATOM 181 O LYS A 12 7.040 -6.945 -8.805 1.00 10.00 O ATOM 182 CB LYS A 12 5.639 -7.856 -6.449 1.00 10.00 C ATOM 183 CG LYS A 12 6.049 -8.655 -5.218 1.00 10.00 C ATOM 184 CD LYS A 12 7.516 -9.047 -5.271 1.00 10.00 C ATOM 185 CE LYS A 12 7.877 -10.028 -4.165 1.00 10.00 C ATOM 186 NZ LYS A 12 9.348 -10.217 -4.053 1.00 10.00 N ATOM 0 H LYS A 12 6.043 -5.031 -5.064 1.00 10.00 H new ATOM 0 HA LYS A 12 7.291 -6.527 -6.068 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.558 -7.717 -6.436 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.875 -8.436 -7.341 1.00 10.00 H new ATOM 0 HG2 LYS A 12 5.861 -8.065 -4.321 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.434 -9.552 -5.144 1.00 10.00 H new ATOM 0 HD2 LYS A 12 7.739 -9.493 -6.240 1.00 10.00 H new ATOM 0 HD3 LYS A 12 8.135 -8.154 -5.182 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.484 -9.666 -3.215 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.401 -10.989 -4.362 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.588 -10.504 -3.083 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 9.655 -10.955 -4.718 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.831 -9.324 -4.280 1.00 10.00 H new ATOM 200 N GLY A 13 6.161 -4.913 -8.412 1.00 10.00 N ATOM 201 CA GLY A 13 6.299 -4.481 -9.791 1.00 10.00 C ATOM 202 C GLY A 13 4.961 -4.454 -10.503 1.00 10.00 C ATOM 203 O GLY A 13 4.832 -3.890 -11.596 1.00 10.00 O ATOM 0 H GLY A 13 5.764 -4.213 -7.785 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.747 -3.488 -9.819 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.978 -5.152 -10.317 1.00 10.00 H new ATOM 207 N GLU A 14 3.964 -5.059 -9.874 1.00 10.00 N ATOM 208 CA GLU A 14 2.620 -5.120 -10.419 1.00 10.00 C ATOM 209 C GLU A 14 1.824 -3.897 -9.976 1.00 10.00 C ATOM 210 O GLU A 14 1.999 -3.403 -8.861 1.00 10.00 O ATOM 211 CB GLU A 14 1.923 -6.401 -9.943 1.00 10.00 C ATOM 212 CG GLU A 14 0.620 -6.701 -10.667 1.00 10.00 C ATOM 213 CD GLU A 14 -0.226 -7.731 -9.947 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.295 -8.815 -9.615 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.425 -7.466 -9.713 1.00 10.00 O ATOM 0 H GLU A 14 4.066 -5.521 -8.971 1.00 10.00 H new ATOM 0 HA GLU A 14 2.676 -5.130 -11.508 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.603 -7.243 -10.075 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.723 -6.318 -8.875 1.00 10.00 H new ATOM 0 HG2 GLU A 14 0.049 -5.779 -10.775 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.842 -7.058 -11.673 1.00 10.00 H new ATOM 222 N GLU A 15 0.955 -3.404 -10.846 1.00 10.00 N ATOM 223 CA GLU A 15 0.143 -2.247 -10.521 1.00 10.00 C ATOM 224 C GLU A 15 -1.155 -2.681 -9.852 1.00 10.00 C ATOM 225 O GLU A 15 -2.017 -3.295 -10.483 1.00 10.00 O ATOM 226 CB GLU A 15 -0.175 -1.421 -11.769 1.00 10.00 C ATOM 227 CG GLU A 15 -0.867 -0.102 -11.452 1.00 10.00 C ATOM 228 CD GLU A 15 -1.806 0.353 -12.549 1.00 10.00 C ATOM 229 OE1 GLU A 15 -1.418 1.230 -13.344 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.944 -0.152 -12.611 1.00 10.00 O ATOM 0 H GLU A 15 0.796 -3.787 -11.778 1.00 10.00 H new ATOM 0 HA GLU A 15 0.716 -1.625 -9.833 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.750 -1.219 -12.309 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.810 -2.007 -12.433 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.427 -0.206 -10.522 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.112 0.667 -11.285 1.00 10.00 H new ATOM 237 N LYS A 16 -1.276 -2.387 -8.574 1.00 10.00 N ATOM 238 CA LYS A 16 -2.472 -2.724 -7.827 1.00 10.00 C ATOM 239 C LYS A 16 -3.128 -1.447 -7.334 1.00 10.00 C ATOM 240 O LYS A 16 -2.497 -0.388 -7.318 1.00 10.00 O ATOM 241 CB LYS A 16 -2.146 -3.647 -6.655 1.00 10.00 C ATOM 242 CG LYS A 16 -1.851 -5.081 -7.069 1.00 10.00 C ATOM 243 CD LYS A 16 -2.018 -6.042 -5.904 1.00 10.00 C ATOM 244 CE LYS A 16 -1.659 -7.469 -6.288 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.565 -8.016 -7.328 1.00 10.00 N ATOM 0 H LYS A 16 -0.557 -1.913 -8.028 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.161 -3.257 -8.483 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.285 -3.249 -6.119 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.984 -3.645 -5.958 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.519 -5.371 -7.880 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.834 -5.148 -7.454 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.388 -5.720 -5.075 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.049 -6.010 -5.552 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.632 -7.498 -6.652 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.701 -8.103 -5.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.877 -8.969 -7.051 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.394 -7.396 -7.428 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.060 -8.068 -8.236 1.00 10.00 H new ATOM 259 N GLN A 17 -4.383 -1.533 -6.942 1.00 10.00 N ATOM 260 CA GLN A 17 -5.101 -0.363 -6.472 1.00 10.00 C ATOM 261 C GLN A 17 -5.933 -0.700 -5.246 1.00 10.00 C ATOM 262 O GLN A 17 -6.678 -1.678 -5.241 1.00 10.00 O ATOM 263 CB GLN A 17 -5.993 0.182 -7.586 1.00 10.00 C ATOM 264 CG GLN A 17 -6.474 1.603 -7.349 1.00 10.00 C ATOM 265 CD GLN A 17 -6.929 2.286 -8.625 1.00 10.00 C ATOM 266 OE1 GLN A 17 -6.847 3.509 -8.753 1.00 10.00 O ATOM 267 NE2 GLN A 17 -7.411 1.506 -9.578 1.00 10.00 N ATOM 0 H GLN A 17 -4.926 -2.396 -6.939 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.376 0.401 -6.192 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.445 0.147 -8.527 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.859 -0.471 -7.697 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.298 1.589 -6.635 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.670 2.184 -6.897 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.463 0.498 -9.434 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -7.731 1.913 -10.457 1.00 10.00 H new ATOM 276 N VAL A 18 -5.799 0.109 -4.208 1.00 10.00 N ATOM 277 CA VAL A 18 -6.538 -0.104 -2.974 1.00 10.00 C ATOM 278 C VAL A 18 -7.263 1.173 -2.562 1.00 10.00 C ATOM 279 O VAL A 18 -6.724 2.273 -2.696 1.00 10.00 O ATOM 280 CB VAL A 18 -5.609 -0.551 -1.820 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.412 -0.864 -0.566 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.772 -1.755 -2.229 1.00 10.00 C ATOM 0 H VAL A 18 -5.183 0.922 -4.195 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.261 -0.897 -3.165 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.934 0.275 -1.598 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.736 -1.176 0.230 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.957 0.026 -0.252 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.119 -1.667 -0.777 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.128 -2.049 -1.400 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.430 -2.584 -2.489 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.158 -1.495 -3.091 1.00 10.00 H new ATOM 292 N ASP A 19 -8.489 1.026 -2.086 1.00 10.00 N ATOM 293 CA ASP A 19 -9.281 2.167 -1.642 1.00 10.00 C ATOM 294 C ASP A 19 -8.725 2.697 -0.325 1.00 10.00 C ATOM 295 O ASP A 19 -8.305 1.919 0.533 1.00 10.00 O ATOM 296 CB ASP A 19 -10.748 1.767 -1.471 1.00 10.00 C ATOM 297 CG ASP A 19 -11.672 2.962 -1.334 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.586 3.670 -0.305 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.497 3.182 -2.246 1.00 10.00 O ATOM 0 H ASP A 19 -8.960 0.126 -1.996 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.224 2.951 -2.397 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.059 1.170 -2.328 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.847 1.134 -0.589 1.00 10.00 H new ATOM 304 N ILE A 20 -8.725 4.016 -0.166 1.00 10.00 N ATOM 305 CA ILE A 20 -8.210 4.654 1.043 1.00 10.00 C ATOM 306 C ILE A 20 -8.965 4.198 2.297 1.00 10.00 C ATOM 307 O ILE A 20 -8.406 4.188 3.393 1.00 10.00 O ATOM 308 CB ILE A 20 -8.263 6.199 0.926 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.540 6.858 2.105 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.704 6.688 0.839 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.331 8.349 1.932 1.00 10.00 C ATOM 0 H ILE A 20 -9.079 4.670 -0.865 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.170 4.344 1.144 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.751 6.485 0.007 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.113 6.683 3.015 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.571 6.377 2.241 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.715 7.775 0.758 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.183 6.254 -0.038 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.246 6.386 1.735 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.814 8.748 2.805 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.732 8.531 1.040 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.297 8.842 1.827 1.00 10.00 H new ATOM 323 N SER A 21 -10.222 3.794 2.134 1.00 10.00 N ATOM 324 CA SER A 21 -11.023 3.346 3.270 1.00 10.00 C ATOM 325 C SER A 21 -10.724 1.887 3.613 1.00 10.00 C ATOM 326 O SER A 21 -11.109 1.397 4.675 1.00 10.00 O ATOM 327 CB SER A 21 -12.518 3.531 2.979 1.00 10.00 C ATOM 328 OG SER A 21 -12.896 2.911 1.762 1.00 10.00 O ATOM 0 H SER A 21 -10.704 3.767 1.236 1.00 10.00 H new ATOM 0 HA SER A 21 -10.756 3.958 4.132 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.103 3.112 3.798 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.751 4.595 2.933 1.00 10.00 H new ATOM 0 HG SER A 21 -12.569 3.444 1.008 1.00 10.00 H new ATOM 334 N LYS A 22 -10.021 1.205 2.715 1.00 10.00 N ATOM 335 CA LYS A 22 -9.676 -0.197 2.917 1.00 10.00 C ATOM 336 C LYS A 22 -8.298 -0.342 3.549 1.00 10.00 C ATOM 337 O LYS A 22 -7.961 -1.397 4.090 1.00 10.00 O ATOM 338 CB LYS A 22 -9.730 -0.951 1.587 1.00 10.00 C ATOM 339 CG LYS A 22 -11.144 -1.272 1.135 1.00 10.00 C ATOM 340 CD LYS A 22 -11.171 -1.837 -0.276 1.00 10.00 C ATOM 341 CE LYS A 22 -12.549 -2.367 -0.632 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.737 -2.498 -2.100 1.00 10.00 N ATOM 0 H LYS A 22 -9.679 1.601 1.840 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.407 -0.628 3.601 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.237 -0.355 0.819 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.166 -1.879 1.680 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.591 -1.990 1.823 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.753 -0.369 1.177 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.883 -1.062 -0.986 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.437 -2.638 -0.363 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -12.696 -3.339 -0.160 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.309 -1.698 -0.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.691 -2.863 -2.297 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.623 -1.567 -2.549 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.029 -3.156 -2.483 1.00 10.00 H new ATOM 356 N ILE A 23 -7.503 0.716 3.478 1.00 10.00 N ATOM 357 CA ILE A 23 -6.165 0.702 4.049 1.00 10.00 C ATOM 358 C ILE A 23 -6.239 0.774 5.572 1.00 10.00 C ATOM 359 O ILE A 23 -6.610 1.803 6.138 1.00 10.00 O ATOM 360 CB ILE A 23 -5.302 1.872 3.520 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.212 1.820 1.993 1.00 10.00 C ATOM 362 CG2 ILE A 23 -3.910 1.818 4.133 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.498 3.009 1.378 1.00 10.00 C ATOM 0 H ILE A 23 -7.762 1.595 3.030 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.693 -0.233 3.746 1.00 10.00 H new ATOM 0 HB ILE A 23 -5.775 2.811 3.808 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.694 0.907 1.700 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.220 1.761 1.581 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.313 2.647 3.753 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -3.987 1.894 5.218 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.432 0.875 3.868 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.475 2.899 0.294 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.027 3.926 1.638 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.478 3.058 1.759 1.00 10.00 H new ATOM 375 N LEU A 24 -5.892 -0.326 6.225 1.00 10.00 N ATOM 376 CA LEU A 24 -5.924 -0.400 7.677 1.00 10.00 C ATOM 377 C LEU A 24 -4.830 0.467 8.289 1.00 10.00 C ATOM 378 O LEU A 24 -5.108 1.393 9.052 1.00 10.00 O ATOM 379 CB LEU A 24 -5.752 -1.849 8.141 1.00 10.00 C ATOM 380 CG LEU A 24 -6.761 -2.847 7.569 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.424 -4.258 8.022 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.173 -2.474 7.992 1.00 10.00 C ATOM 0 H LEU A 24 -5.583 -1.184 5.768 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.893 -0.029 8.011 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.748 -2.181 7.875 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.819 -1.874 9.229 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.707 -2.812 6.481 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.151 -4.957 7.607 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.426 -4.523 7.674 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.454 -4.308 9.110 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.879 -3.193 7.577 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.242 -2.484 9.080 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.412 -1.477 7.623 1.00 10.00 H new ATOM 394 N SER A 25 -3.586 0.172 7.939 1.00 10.00 N ATOM 395 CA SER A 25 -2.456 0.917 8.462 1.00 10.00 C ATOM 396 C SER A 25 -1.254 0.819 7.525 1.00 10.00 C ATOM 397 O SER A 25 -1.043 -0.207 6.873 1.00 10.00 O ATOM 398 CB SER A 25 -2.089 0.398 9.856 1.00 10.00 C ATOM 399 OG SER A 25 -1.989 -1.017 9.865 1.00 10.00 O ATOM 0 H SER A 25 -3.336 -0.579 7.295 1.00 10.00 H new ATOM 0 HA SER A 25 -2.740 1.967 8.535 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.141 0.834 10.172 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.843 0.717 10.576 1.00 10.00 H new ATOM 0 HG SER A 25 -1.752 -1.322 10.766 1.00 10.00 H new ATOM 405 N VAL A 26 -0.488 1.896 7.446 1.00 10.00 N ATOM 406 CA VAL A 26 0.697 1.941 6.600 1.00 10.00 C ATOM 407 C VAL A 26 1.964 1.936 7.450 1.00 10.00 C ATOM 408 O VAL A 26 2.100 2.732 8.382 1.00 10.00 O ATOM 409 CB VAL A 26 0.691 3.193 5.696 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.953 3.265 4.849 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.542 3.204 4.809 1.00 10.00 C ATOM 0 H VAL A 26 -0.667 2.758 7.962 1.00 10.00 H new ATOM 0 HA VAL A 26 0.682 1.053 5.968 1.00 10.00 H new ATOM 0 HB VAL A 26 0.666 4.071 6.341 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.921 4.157 4.223 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.826 3.310 5.500 1.00 10.00 H new ATOM 0 HG13 VAL A 26 2.018 2.380 4.216 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.529 4.093 4.179 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.546 2.314 4.180 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.437 3.213 5.431 1.00 10.00 H new ATOM 421 N GLY A 27 2.884 1.037 7.130 1.00 10.00 N ATOM 422 CA GLY A 27 4.129 0.949 7.865 1.00 10.00 C ATOM 423 C GLY A 27 5.318 1.260 6.984 1.00 10.00 C ATOM 424 O GLY A 27 5.577 0.558 6.007 1.00 10.00 O ATOM 0 H GLY A 27 2.789 0.363 6.370 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.106 1.643 8.705 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.236 -0.052 8.282 1.00 10.00 H new ATOM 428 N ARG A 28 6.036 2.316 7.315 1.00 10.00 N ATOM 429 CA ARG A 28 7.192 2.719 6.533 1.00 10.00 C ATOM 430 C ARG A 28 8.473 2.205 7.176 1.00 10.00 C ATOM 431 O ARG A 28 8.883 2.684 8.235 1.00 10.00 O ATOM 432 CB ARG A 28 7.234 4.243 6.399 1.00 10.00 C ATOM 433 CG ARG A 28 8.382 4.747 5.546 1.00 10.00 C ATOM 434 CD ARG A 28 8.341 6.255 5.400 1.00 10.00 C ATOM 435 NE ARG A 28 9.500 6.754 4.672 1.00 10.00 N ATOM 436 CZ ARG A 28 10.609 7.207 5.247 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.716 7.238 6.571 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.623 7.603 4.491 1.00 10.00 N ATOM 0 H ARG A 28 5.840 2.911 8.120 1.00 10.00 H new ATOM 0 HA ARG A 28 7.109 2.284 5.537 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.294 4.587 5.968 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.310 4.685 7.393 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.329 4.449 5.995 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.336 4.283 4.561 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.429 6.546 4.878 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.304 6.716 6.387 1.00 10.00 H new ATOM 0 HE ARG A 28 9.457 6.756 3.653 1.00 10.00 H new ATOM 0 HH11 ARG A 28 9.944 6.913 7.153 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.570 7.587 7.006 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.549 7.559 3.475 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.477 7.952 4.926 1.00 10.00 H new ATOM 452 N TYR A 29 9.102 1.235 6.529 1.00 10.00 N ATOM 453 CA TYR A 29 10.336 0.640 7.032 1.00 10.00 C ATOM 454 C TYR A 29 11.552 1.390 6.503 1.00 10.00 C ATOM 455 O TYR A 29 12.685 0.918 6.606 1.00 10.00 O ATOM 456 CB TYR A 29 10.419 -0.836 6.629 1.00 10.00 C ATOM 457 CG TYR A 29 9.360 -1.706 7.271 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.041 -1.683 6.826 1.00 10.00 C ATOM 459 CD2 TYR A 29 9.680 -2.551 8.327 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.076 -2.474 7.415 1.00 10.00 C ATOM 461 CE2 TYR A 29 8.718 -3.347 8.921 1.00 10.00 C ATOM 462 CZ TYR A 29 7.417 -3.304 8.462 1.00 10.00 C ATOM 463 OH TYR A 29 6.455 -4.093 9.049 1.00 10.00 O ATOM 0 H TYR A 29 8.776 0.839 5.647 1.00 10.00 H new ATOM 0 HA TYR A 29 10.328 0.712 8.120 1.00 10.00 H new ATOM 0 HB2 TYR A 29 10.330 -0.912 5.545 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.403 -1.221 6.896 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.769 -1.035 6.006 1.00 10.00 H new ATOM 0 HD2 TYR A 29 10.697 -2.586 8.690 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.057 -2.443 7.057 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.983 -3.999 9.740 1.00 10.00 H new ATOM 0 HH TYR A 29 6.859 -4.619 9.770 1.00 10.00 H new ATOM 473 N GLY A 30 11.310 2.562 5.948 1.00 10.00 N ATOM 474 CA GLY A 30 12.380 3.363 5.400 1.00 10.00 C ATOM 475 C GLY A 30 12.213 3.546 3.911 1.00 10.00 C ATOM 476 O GLY A 30 11.430 4.382 3.471 1.00 10.00 O ATOM 0 H GLY A 30 10.382 2.978 5.866 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.397 4.337 5.890 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.338 2.886 5.606 1.00 10.00 H new ATOM 480 N LYS A 31 12.918 2.738 3.136 1.00 10.00 N ATOM 481 CA LYS A 31 12.836 2.809 1.687 1.00 10.00 C ATOM 482 C LYS A 31 11.737 1.883 1.179 1.00 10.00 C ATOM 483 O LYS A 31 11.270 2.015 0.047 1.00 10.00 O ATOM 484 CB LYS A 31 14.182 2.448 1.053 1.00 10.00 C ATOM 485 CG LYS A 31 15.226 3.556 1.166 1.00 10.00 C ATOM 486 CD LYS A 31 14.772 4.829 0.460 1.00 10.00 C ATOM 487 CE LYS A 31 15.030 6.064 1.314 1.00 10.00 C ATOM 488 NZ LYS A 31 14.244 7.239 0.853 1.00 10.00 N ATOM 0 H LYS A 31 13.555 2.023 3.488 1.00 10.00 H new ATOM 0 HA LYS A 31 12.590 3.832 1.401 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.568 1.546 1.528 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.027 2.212 0.000 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.417 3.771 2.217 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.167 3.215 0.734 1.00 10.00 H new ATOM 0 HD2 LYS A 31 15.297 4.926 -0.490 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.709 4.760 0.231 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.779 5.845 2.352 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.092 6.307 1.288 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.808 8.104 0.976 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.003 7.123 -0.152 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.370 7.313 1.412 1.00 10.00 H new ATOM 502 N LEU A 32 11.341 0.940 2.025 1.00 10.00 N ATOM 503 CA LEU A 32 10.283 0.000 1.692 1.00 10.00 C ATOM 504 C LEU A 32 9.052 0.286 2.544 1.00 10.00 C ATOM 505 O LEU A 32 9.118 0.265 3.774 1.00 10.00 O ATOM 506 CB LEU A 32 10.747 -1.444 1.917 1.00 10.00 C ATOM 507 CG LEU A 32 11.468 -2.104 0.734 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.858 -3.532 1.079 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.598 -2.077 -0.513 1.00 10.00 C ATOM 0 H LEU A 32 11.742 0.807 2.954 1.00 10.00 H new ATOM 0 HA LEU A 32 10.032 0.121 0.638 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.413 -1.462 2.780 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.878 -2.050 2.172 1.00 10.00 H new ATOM 0 HG LEU A 32 12.375 -1.536 0.528 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.368 -3.985 0.229 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.523 -3.529 1.942 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.962 -4.107 1.313 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.130 -2.550 -1.338 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.671 -2.617 -0.322 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.369 -1.044 -0.774 1.00 10.00 H new ATOM 521 N ILE A 33 7.939 0.570 1.890 1.00 10.00 N ATOM 522 CA ILE A 33 6.696 0.866 2.586 1.00 10.00 C ATOM 523 C ILE A 33 5.720 -0.297 2.452 1.00 10.00 C ATOM 524 O ILE A 33 5.260 -0.604 1.356 1.00 10.00 O ATOM 525 CB ILE A 33 6.036 2.148 2.038 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.052 3.290 1.974 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.845 2.544 2.902 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.567 4.494 1.196 1.00 10.00 C ATOM 0 H ILE A 33 7.869 0.602 0.873 1.00 10.00 H new ATOM 0 HA ILE A 33 6.940 1.020 3.637 1.00 10.00 H new ATOM 0 HB ILE A 33 5.680 1.947 1.028 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.300 3.601 2.989 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.971 2.921 1.519 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.391 3.450 2.502 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.111 1.739 2.900 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.181 2.727 3.923 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.341 5.262 1.194 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.346 4.199 0.170 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.665 4.889 1.662 1.00 10.00 H new ATOM 540 N HIS A 34 5.410 -0.933 3.569 1.00 10.00 N ATOM 541 CA HIS A 34 4.497 -2.067 3.583 1.00 10.00 C ATOM 542 C HIS A 34 3.223 -1.704 4.347 1.00 10.00 C ATOM 543 O HIS A 34 3.283 -1.232 5.483 1.00 10.00 O ATOM 544 CB HIS A 34 5.194 -3.281 4.214 1.00 10.00 C ATOM 545 CG HIS A 34 4.274 -4.389 4.639 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.800 -5.372 3.797 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.736 -4.651 5.858 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.015 -6.182 4.514 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.940 -5.788 5.772 1.00 10.00 N ATOM 0 H HIS A 34 5.780 -0.682 4.486 1.00 10.00 H new ATOM 0 HA HIS A 34 4.216 -2.323 2.561 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.914 -3.680 3.499 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.760 -2.945 5.083 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.011 -5.465 2.803 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.900 -4.069 6.753 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.507 -7.048 4.115 1.00 10.00 H new ATOM 557 N PHE A 35 2.076 -1.925 3.728 1.00 10.00 N ATOM 558 CA PHE A 35 0.804 -1.605 4.359 1.00 10.00 C ATOM 559 C PHE A 35 -0.149 -2.793 4.316 1.00 10.00 C ATOM 560 O PHE A 35 -0.026 -3.673 3.460 1.00 10.00 O ATOM 561 CB PHE A 35 0.160 -0.392 3.672 1.00 10.00 C ATOM 562 CG PHE A 35 -0.433 -0.694 2.321 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.799 -0.889 2.177 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.372 -0.786 1.198 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.349 -1.172 0.942 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.171 -1.070 -0.038 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.533 -1.264 -0.165 1.00 10.00 C ATOM 0 H PHE A 35 1.998 -2.323 2.792 1.00 10.00 H new ATOM 0 HA PHE A 35 1.000 -1.364 5.404 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.621 0.006 4.319 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.911 0.390 3.561 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.441 -0.819 3.042 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.437 -0.634 1.291 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.414 -1.321 0.844 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.468 -1.141 -0.906 1.00 10.00 H new ATOM 0 HZ PHE A 35 -1.958 -1.488 -1.132 1.00 10.00 H new ATOM 577 N LEU A 36 -1.090 -2.806 5.249 1.00 10.00 N ATOM 578 CA LEU A 36 -2.088 -3.862 5.326 1.00 10.00 C ATOM 579 C LEU A 36 -3.456 -3.284 4.990 1.00 10.00 C ATOM 580 O LEU A 36 -3.810 -2.210 5.476 1.00 10.00 O ATOM 581 CB LEU A 36 -2.121 -4.468 6.735 1.00 10.00 C ATOM 582 CG LEU A 36 -0.815 -5.109 7.209 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.884 -5.415 8.693 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.525 -6.375 6.421 1.00 10.00 C ATOM 0 H LEU A 36 -1.183 -2.090 5.969 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.830 -4.646 4.614 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.398 -3.685 7.441 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.908 -5.221 6.769 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.003 -4.402 7.037 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.053 -5.871 9.014 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.047 -4.491 9.248 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.707 -6.104 8.885 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.408 -6.817 6.772 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.339 -7.086 6.562 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.435 -6.132 5.362 1.00 10.00 H new ATOM 596 N TYR A 37 -4.222 -3.977 4.159 1.00 10.00 N ATOM 597 CA TYR A 37 -5.543 -3.491 3.788 1.00 10.00 C ATOM 598 C TYR A 37 -6.579 -4.602 3.868 1.00 10.00 C ATOM 599 O TYR A 37 -6.275 -5.772 3.619 1.00 10.00 O ATOM 600 CB TYR A 37 -5.521 -2.863 2.385 1.00 10.00 C ATOM 601 CG TYR A 37 -5.424 -3.851 1.237 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.569 -4.380 0.650 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.190 -4.234 0.723 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.487 -5.263 -0.408 1.00 10.00 C ATOM 605 CE2 TYR A 37 -4.100 -5.121 -0.334 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.251 -5.630 -0.898 1.00 10.00 C ATOM 607 OH TYR A 37 -5.171 -6.506 -1.958 1.00 10.00 O ATOM 0 H TYR A 37 -3.956 -4.865 3.734 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.827 -2.718 4.502 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.425 -2.268 2.256 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.677 -2.176 2.325 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.539 -4.095 1.029 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.286 -3.832 1.157 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.387 -5.665 -0.850 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -3.133 -5.414 -0.716 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.264 -6.872 -2.012 1.00 10.00 H new ATOM 617 N ASP A 38 -7.797 -4.221 4.225 1.00 10.00 N ATOM 618 CA ASP A 38 -8.900 -5.162 4.350 1.00 10.00 C ATOM 619 C ASP A 38 -9.504 -5.434 2.981 1.00 10.00 C ATOM 620 O ASP A 38 -9.937 -4.510 2.291 1.00 10.00 O ATOM 621 CB ASP A 38 -9.969 -4.604 5.293 1.00 10.00 C ATOM 622 CG ASP A 38 -10.956 -5.659 5.757 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.974 -5.967 6.969 1.00 10.00 O ATOM 624 OD2 ASP A 38 -11.728 -6.179 4.922 1.00 10.00 O ATOM 0 H ASP A 38 -8.048 -3.255 4.435 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.521 -6.096 4.765 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.484 -4.160 6.162 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.510 -3.804 4.788 1.00 10.00 H new ATOM 629 N LEU A 39 -9.524 -6.697 2.583 1.00 10.00 N ATOM 630 CA LEU A 39 -10.072 -7.071 1.289 1.00 10.00 C ATOM 631 C LEU A 39 -11.533 -7.484 1.428 1.00 10.00 C ATOM 632 O LEU A 39 -12.424 -6.849 0.862 1.00 10.00 O ATOM 633 CB LEU A 39 -9.247 -8.199 0.663 1.00 10.00 C ATOM 634 CG LEU A 39 -9.354 -8.306 -0.858 1.00 10.00 C ATOM 635 CD1 LEU A 39 -8.014 -8.694 -1.455 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.419 -9.315 -1.251 1.00 10.00 C ATOM 0 H LEU A 39 -9.168 -7.477 3.135 1.00 10.00 H new ATOM 0 HA LEU A 39 -10.023 -6.205 0.629 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.200 -8.055 0.930 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.561 -9.146 1.102 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.643 -7.331 -1.251 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -8.106 -8.766 -2.539 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.271 -7.937 -1.203 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.701 -9.657 -1.052 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.479 -9.376 -2.338 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -10.160 -10.293 -0.846 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -11.383 -9.001 -0.851 1.00 10.00 H new ATOM 648 N GLY A 40 -11.780 -8.541 2.190 1.00 10.00 N ATOM 649 CA GLY A 40 -13.137 -9.007 2.383 1.00 10.00 C ATOM 650 C GLY A 40 -13.203 -10.502 2.602 1.00 10.00 C ATOM 651 O GLY A 40 -12.291 -11.230 2.208 1.00 10.00 O ATOM 0 H GLY A 40 -11.066 -9.083 2.677 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.576 -8.496 3.240 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.737 -8.742 1.513 1.00 10.00 H new ATOM 655 N GLY A 41 -14.276 -10.962 3.237 1.00 10.00 N ATOM 656 CA GLY A 41 -14.440 -12.380 3.499 1.00 10.00 C ATOM 657 C GLY A 41 -13.705 -12.817 4.747 1.00 10.00 C ATOM 658 O GLY A 41 -13.617 -14.010 5.043 1.00 10.00 O ATOM 0 H GLY A 41 -15.038 -10.375 3.576 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.501 -12.608 3.605 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -14.075 -12.951 2.645 1.00 10.00 H new ATOM 662 N GLY A 42 -13.167 -11.850 5.478 1.00 10.00 N ATOM 663 CA GLY A 42 -12.438 -12.150 6.692 1.00 10.00 C ATOM 664 C GLY A 42 -10.941 -12.129 6.471 1.00 10.00 C ATOM 665 O GLY A 42 -10.163 -12.050 7.421 1.00 10.00 O ATOM 0 H GLY A 42 -13.224 -10.858 5.249 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.701 -11.425 7.462 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.737 -13.131 7.062 1.00 10.00 H new ATOM 669 N LYS A 43 -10.535 -12.194 5.210 1.00 10.00 N ATOM 670 CA LYS A 43 -9.126 -12.185 4.860 1.00 10.00 C ATOM 671 C LYS A 43 -8.718 -10.813 4.342 1.00 10.00 C ATOM 672 O LYS A 43 -9.550 -10.045 3.849 1.00 10.00 O ATOM 673 CB LYS A 43 -8.811 -13.268 3.824 1.00 10.00 C ATOM 674 CG LYS A 43 -9.573 -13.122 2.512 1.00 10.00 C ATOM 675 CD LYS A 43 -10.429 -14.347 2.210 1.00 10.00 C ATOM 676 CE LYS A 43 -9.592 -15.565 1.832 1.00 10.00 C ATOM 677 NZ LYS A 43 -9.056 -16.290 3.017 1.00 10.00 N ATOM 0 H LYS A 43 -11.167 -12.254 4.411 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.550 -12.403 5.759 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.742 -13.253 3.613 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -9.037 -14.243 4.255 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -10.209 -12.238 2.558 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.866 -12.964 1.698 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -11.038 -14.585 3.082 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -11.116 -14.115 1.396 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -10.201 -16.248 1.239 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.762 -15.248 1.201 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -8.989 -17.305 2.802 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -8.112 -15.922 3.251 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -9.693 -16.150 3.827 1.00 10.00 H new ATOM 691 N ALA A 44 -7.440 -10.511 4.455 1.00 10.00 N ATOM 692 CA ALA A 44 -6.923 -9.232 4.018 1.00 10.00 C ATOM 693 C ALA A 44 -5.763 -9.406 3.050 1.00 10.00 C ATOM 694 O ALA A 44 -5.366 -10.529 2.721 1.00 10.00 O ATOM 695 CB ALA A 44 -6.490 -8.418 5.228 1.00 10.00 C ATOM 0 H ALA A 44 -6.738 -11.138 4.848 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.715 -8.701 3.489 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.101 -7.455 4.898 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.346 -8.258 5.884 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.713 -8.957 5.770 1.00 10.00 H new ATOM 701 N GLY A 45 -5.230 -8.286 2.600 1.00 10.00 N ATOM 702 CA GLY A 45 -4.113 -8.297 1.686 1.00 10.00 C ATOM 703 C GLY A 45 -3.058 -7.309 2.118 1.00 10.00 C ATOM 704 O GLY A 45 -3.305 -6.487 3.002 1.00 10.00 O ATOM 0 H GLY A 45 -5.557 -7.355 2.856 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.684 -9.298 1.641 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.457 -8.052 0.681 1.00 10.00 H new ATOM 708 N MET A 46 -1.888 -7.370 1.511 1.00 10.00 N ATOM 709 CA MET A 46 -0.812 -6.462 1.867 1.00 10.00 C ATOM 710 C MET A 46 0.034 -6.131 0.654 1.00 10.00 C ATOM 711 O MET A 46 0.081 -6.899 -0.309 1.00 10.00 O ATOM 712 CB MET A 46 0.052 -7.067 2.976 1.00 10.00 C ATOM 713 CG MET A 46 0.790 -8.337 2.581 1.00 10.00 C ATOM 714 SD MET A 46 1.471 -9.200 4.013 1.00 10.00 S ATOM 715 CE MET A 46 2.371 -10.531 3.222 1.00 10.00 C ATOM 0 H MET A 46 -1.658 -8.035 0.773 1.00 10.00 H new ATOM 0 HA MET A 46 -1.253 -5.536 2.237 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.781 -6.323 3.297 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.582 -7.283 3.836 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.109 -9.001 2.048 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.596 -8.088 1.891 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.073 -11.483 3.661 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.147 -10.538 2.155 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.441 -10.383 3.367 1.00 10.00 H new ATOM 725 N GLY A 47 0.687 -4.984 0.699 1.00 10.00 N ATOM 726 CA GLY A 47 1.520 -4.566 -0.404 1.00 10.00 C ATOM 727 C GLY A 47 2.688 -3.725 0.050 1.00 10.00 C ATOM 728 O GLY A 47 2.561 -2.916 0.973 1.00 10.00 O ATOM 0 H GLY A 47 0.655 -4.332 1.483 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.891 -5.445 -0.931 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.920 -3.998 -1.115 1.00 10.00 H new ATOM 732 N MET A 48 3.827 -3.929 -0.581 1.00 10.00 N ATOM 733 CA MET A 48 5.029 -3.186 -0.262 1.00 10.00 C ATOM 734 C MET A 48 5.511 -2.417 -1.485 1.00 10.00 C ATOM 735 O MET A 48 5.762 -3.001 -2.541 1.00 10.00 O ATOM 736 CB MET A 48 6.109 -4.148 0.229 1.00 10.00 C ATOM 737 CG MET A 48 7.229 -3.490 1.011 1.00 10.00 C ATOM 738 SD MET A 48 7.943 -4.589 2.253 1.00 10.00 S ATOM 739 CE MET A 48 8.192 -6.087 1.298 1.00 10.00 C ATOM 0 H MET A 48 3.945 -4.613 -1.328 1.00 10.00 H new ATOM 0 HA MET A 48 4.811 -2.468 0.528 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.643 -4.908 0.856 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.537 -4.663 -0.631 1.00 10.00 H new ATOM 0 HG2 MET A 48 8.010 -3.170 0.321 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.848 -2.593 1.500 1.00 10.00 H new ATOM 0 HE1 MET A 48 8.953 -6.702 1.778 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.256 -6.644 1.244 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.518 -5.827 0.291 1.00 10.00 H new ATOM 749 N VAL A 49 5.621 -1.107 -1.342 1.00 10.00 N ATOM 750 CA VAL A 49 6.061 -0.251 -2.430 1.00 10.00 C ATOM 751 C VAL A 49 7.281 0.562 -2.002 1.00 10.00 C ATOM 752 O VAL A 49 7.534 0.731 -0.810 1.00 10.00 O ATOM 753 CB VAL A 49 4.919 0.691 -2.888 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.653 1.775 -1.854 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.223 1.304 -4.247 1.00 10.00 C ATOM 0 H VAL A 49 5.410 -0.611 -0.476 1.00 10.00 H new ATOM 0 HA VAL A 49 6.338 -0.884 -3.273 1.00 10.00 H new ATOM 0 HB VAL A 49 4.015 0.089 -2.985 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.847 2.421 -2.203 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.366 1.314 -0.909 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.556 2.368 -1.708 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.404 1.960 -4.542 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.146 1.880 -4.188 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.337 0.511 -4.986 1.00 10.00 H new ATOM 765 N SER A 50 8.045 1.041 -2.968 1.00 10.00 N ATOM 766 CA SER A 50 9.223 1.836 -2.673 1.00 10.00 C ATOM 767 C SER A 50 8.875 3.319 -2.722 1.00 10.00 C ATOM 768 O SER A 50 7.900 3.708 -3.369 1.00 10.00 O ATOM 769 CB SER A 50 10.335 1.515 -3.672 1.00 10.00 C ATOM 770 OG SER A 50 10.179 2.248 -4.876 1.00 10.00 O ATOM 0 H SER A 50 7.871 0.893 -3.962 1.00 10.00 H new ATOM 0 HA SER A 50 9.576 1.593 -1.671 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.303 1.746 -3.227 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.331 0.447 -3.892 1.00 10.00 H new ATOM 0 HG SER A 50 9.845 1.654 -5.580 1.00 10.00 H new ATOM 776 N GLU A 51 9.669 4.142 -2.046 1.00 10.00 N ATOM 777 CA GLU A 51 9.435 5.585 -2.022 1.00 10.00 C ATOM 778 C GLU A 51 9.655 6.196 -3.405 1.00 10.00 C ATOM 779 O GLU A 51 9.139 7.271 -3.710 1.00 10.00 O ATOM 780 CB GLU A 51 10.356 6.258 -1.004 1.00 10.00 C ATOM 781 CG GLU A 51 10.216 5.704 0.404 1.00 10.00 C ATOM 782 CD GLU A 51 10.562 6.721 1.466 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.764 6.985 1.683 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.634 7.262 2.096 1.00 10.00 O ATOM 0 H GLU A 51 10.480 3.837 -1.507 1.00 10.00 H new ATOM 0 HA GLU A 51 8.398 5.753 -1.730 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.390 6.142 -1.330 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.145 7.327 -0.987 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.193 5.360 0.555 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.864 4.834 0.514 1.00 10.00 H new ATOM 791 N LYS A 52 10.419 5.502 -4.237 1.00 10.00 N ATOM 792 CA LYS A 52 10.703 5.970 -5.583 1.00 10.00 C ATOM 793 C LYS A 52 9.529 5.676 -6.509 1.00 10.00 C ATOM 794 O LYS A 52 9.204 6.472 -7.390 1.00 10.00 O ATOM 795 CB LYS A 52 11.964 5.299 -6.122 1.00 10.00 C ATOM 796 CG LYS A 52 13.202 5.546 -5.280 1.00 10.00 C ATOM 797 CD LYS A 52 14.426 4.901 -5.906 1.00 10.00 C ATOM 798 CE LYS A 52 15.692 5.240 -5.135 1.00 10.00 C ATOM 799 NZ LYS A 52 16.912 4.747 -5.830 1.00 10.00 N ATOM 0 H LYS A 52 10.854 4.610 -4.001 1.00 10.00 H new ATOM 0 HA LYS A 52 10.861 7.048 -5.544 1.00 10.00 H new ATOM 0 HB2 LYS A 52 11.791 4.225 -6.189 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.149 5.656 -7.135 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.366 6.618 -5.175 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.049 5.147 -4.277 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.294 3.819 -5.933 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.527 5.236 -6.938 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.760 6.320 -5.004 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.639 4.801 -4.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.754 4.998 -5.273 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.860 3.713 -5.932 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 16.976 5.185 -6.771 1.00 10.00 H new ATOM 813 N ASP A 53 8.889 4.533 -6.293 1.00 10.00 N ATOM 814 CA ASP A 53 7.754 4.116 -7.114 1.00 10.00 C ATOM 815 C ASP A 53 6.464 4.769 -6.643 1.00 10.00 C ATOM 816 O ASP A 53 5.486 4.836 -7.387 1.00 10.00 O ATOM 817 CB ASP A 53 7.597 2.593 -7.089 1.00 10.00 C ATOM 818 CG ASP A 53 8.728 1.878 -7.802 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.855 2.029 -9.033 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.500 1.160 -7.134 1.00 10.00 O ATOM 0 H ASP A 53 9.136 3.875 -5.554 1.00 10.00 H new ATOM 0 HA ASP A 53 7.955 4.438 -8.136 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.552 2.253 -6.054 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.650 2.321 -7.555 1.00 10.00 H new ATOM 825 N ALA A 54 6.458 5.238 -5.406 1.00 10.00 N ATOM 826 CA ALA A 54 5.284 5.883 -4.844 1.00 10.00 C ATOM 827 C ALA A 54 5.338 7.391 -5.060 1.00 10.00 C ATOM 828 O ALA A 54 6.268 8.058 -4.603 1.00 10.00 O ATOM 829 CB ALA A 54 5.165 5.564 -3.359 1.00 10.00 C ATOM 0 H ALA A 54 7.255 5.184 -4.771 1.00 10.00 H new ATOM 0 HA ALA A 54 4.403 5.497 -5.357 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.281 6.054 -2.951 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.077 4.486 -3.224 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.052 5.924 -2.837 1.00 10.00 H new ATOM 835 N PRO A 55 4.361 7.944 -5.796 1.00 10.00 N ATOM 836 CA PRO A 55 4.291 9.384 -6.060 1.00 10.00 C ATOM 837 C PRO A 55 4.162 10.189 -4.768 1.00 10.00 C ATOM 838 O PRO A 55 3.552 9.729 -3.800 1.00 10.00 O ATOM 839 CB PRO A 55 3.026 9.536 -6.915 1.00 10.00 C ATOM 840 CG PRO A 55 2.752 8.178 -7.464 1.00 10.00 C ATOM 841 CD PRO A 55 3.262 7.208 -6.439 1.00 10.00 C ATOM 0 HA PRO A 55 5.191 9.756 -6.550 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.188 9.894 -6.316 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.178 10.260 -7.716 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.686 8.036 -7.639 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.254 8.035 -8.421 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.487 6.935 -5.723 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.611 6.283 -6.899 1.00 10.00 H new ATOM 849 N LYS A 56 4.721 11.393 -4.765 1.00 10.00 N ATOM 850 CA LYS A 56 4.690 12.262 -3.591 1.00 10.00 C ATOM 851 C LYS A 56 3.266 12.520 -3.110 1.00 10.00 C ATOM 852 O LYS A 56 3.014 12.594 -1.904 1.00 10.00 O ATOM 853 CB LYS A 56 5.376 13.592 -3.893 1.00 10.00 C ATOM 854 CG LYS A 56 6.875 13.472 -4.104 1.00 10.00 C ATOM 855 CD LYS A 56 7.521 14.838 -4.225 1.00 10.00 C ATOM 856 CE LYS A 56 9.026 14.736 -4.409 1.00 10.00 C ATOM 857 NZ LYS A 56 9.675 16.072 -4.347 1.00 10.00 N ATOM 0 H LYS A 56 5.205 11.794 -5.568 1.00 10.00 H new ATOM 0 HA LYS A 56 5.227 11.745 -2.796 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.926 14.028 -4.785 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.188 14.283 -3.071 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.320 12.929 -3.271 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.073 12.892 -5.005 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.087 15.372 -5.070 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.303 15.424 -3.332 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.445 14.091 -3.637 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.245 14.268 -5.369 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.701 15.966 -4.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.292 16.679 -5.100 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.486 16.507 -3.422 1.00 10.00 H new ATOM 871 N GLU A 57 2.338 12.665 -4.048 1.00 10.00 N ATOM 872 CA GLU A 57 0.945 12.906 -3.699 1.00 10.00 C ATOM 873 C GLU A 57 0.368 11.716 -2.941 1.00 10.00 C ATOM 874 O GLU A 57 -0.247 11.879 -1.885 1.00 10.00 O ATOM 875 CB GLU A 57 0.111 13.173 -4.950 1.00 10.00 C ATOM 876 CG GLU A 57 -1.339 13.511 -4.642 1.00 10.00 C ATOM 877 CD GLU A 57 -2.258 13.332 -5.831 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.780 12.923 -6.908 1.00 10.00 O ATOM 879 OE2 GLU A 57 -3.471 13.597 -5.689 1.00 10.00 O ATOM 0 H GLU A 57 2.524 12.620 -5.050 1.00 10.00 H new ATOM 0 HA GLU A 57 0.909 13.787 -3.058 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.558 13.995 -5.508 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.144 12.295 -5.595 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.687 12.880 -3.824 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.399 14.543 -4.296 1.00 10.00 H new ATOM 886 N LEU A 58 0.587 10.520 -3.477 1.00 10.00 N ATOM 887 CA LEU A 58 0.085 9.302 -2.854 1.00 10.00 C ATOM 888 C LEU A 58 0.811 9.041 -1.540 1.00 10.00 C ATOM 889 O LEU A 58 0.221 8.543 -0.584 1.00 10.00 O ATOM 890 CB LEU A 58 0.239 8.104 -3.798 1.00 10.00 C ATOM 891 CG LEU A 58 -0.499 8.223 -5.138 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.496 6.892 -5.871 1.00 10.00 C ATOM 893 CD2 LEU A 58 -1.927 8.713 -4.931 1.00 10.00 C ATOM 0 H LEU A 58 1.108 10.369 -4.341 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.976 9.437 -2.646 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.300 7.955 -3.999 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.117 7.211 -3.285 1.00 10.00 H new ATOM 0 HG LEU A 58 0.028 8.956 -5.749 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.024 6.997 -6.819 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.532 6.583 -6.061 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.994 6.139 -5.260 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.429 8.789 -5.896 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.465 8.009 -4.296 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -1.910 9.692 -4.453 1.00 10.00 H new ATOM 905 N LEU A 59 2.090 9.399 -1.496 1.00 10.00 N ATOM 906 CA LEU A 59 2.899 9.227 -0.296 1.00 10.00 C ATOM 907 C LEU A 59 2.315 10.045 0.853 1.00 10.00 C ATOM 908 O LEU A 59 2.326 9.617 2.008 1.00 10.00 O ATOM 909 CB LEU A 59 4.348 9.648 -0.570 1.00 10.00 C ATOM 910 CG LEU A 59 5.329 9.414 0.579 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.436 7.934 0.901 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.693 9.979 0.228 1.00 10.00 C ATOM 0 H LEU A 59 2.590 9.812 -2.283 1.00 10.00 H new ATOM 0 HA LEU A 59 2.891 8.174 -0.013 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.706 9.107 -1.446 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.358 10.708 -0.824 1.00 10.00 H new ATOM 0 HG LEU A 59 4.953 9.929 1.463 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.139 7.790 1.721 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.457 7.553 1.191 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.789 7.395 0.022 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.382 9.806 1.054 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.071 9.487 -0.669 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.607 11.050 0.046 1.00 10.00 H new ATOM 924 N GLN A 60 1.788 11.221 0.520 1.00 10.00 N ATOM 925 CA GLN A 60 1.180 12.096 1.513 1.00 10.00 C ATOM 926 C GLN A 60 -0.156 11.515 1.962 1.00 10.00 C ATOM 927 O GLN A 60 -0.582 11.707 3.099 1.00 10.00 O ATOM 928 CB GLN A 60 0.988 13.507 0.953 1.00 10.00 C ATOM 929 CG GLN A 60 0.630 14.537 2.018 1.00 10.00 C ATOM 930 CD GLN A 60 1.711 14.695 3.077 1.00 10.00 C ATOM 931 OE1 GLN A 60 1.414 14.884 4.257 1.00 10.00 O ATOM 932 NE2 GLN A 60 2.967 14.643 2.665 1.00 10.00 N ATOM 0 H GLN A 60 1.771 11.588 -0.431 1.00 10.00 H new ATOM 0 HA GLN A 60 1.847 12.164 2.373 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.904 13.818 0.450 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.201 13.487 0.199 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.454 15.500 1.540 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.303 14.245 2.500 1.00 10.00 H new ATOM 0 HE21 GLN A 60 3.174 14.485 1.679 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.728 14.761 3.333 1.00 10.00 H new ATOM 941 N MET A 61 -0.814 10.798 1.058 1.00 10.00 N ATOM 942 CA MET A 61 -2.089 10.162 1.372 1.00 10.00 C ATOM 943 C MET A 61 -1.853 9.016 2.346 1.00 10.00 C ATOM 944 O MET A 61 -2.695 8.714 3.195 1.00 10.00 O ATOM 945 CB MET A 61 -2.775 9.642 0.103 1.00 10.00 C ATOM 946 CG MET A 61 -3.388 10.737 -0.751 1.00 10.00 C ATOM 947 SD MET A 61 -4.092 10.104 -2.286 1.00 10.00 S ATOM 948 CE MET A 61 -5.398 9.051 -1.657 1.00 10.00 C ATOM 0 H MET A 61 -0.487 10.643 0.104 1.00 10.00 H new ATOM 0 HA MET A 61 -2.746 10.903 1.827 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.047 9.092 -0.494 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.555 8.935 0.386 1.00 10.00 H new ATOM 0 HG2 MET A 61 -4.166 11.245 -0.181 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.626 11.481 -0.984 1.00 10.00 H new ATOM 0 HE1 MET A 61 -5.992 8.672 -2.489 1.00 10.00 H new ATOM 0 HE2 MET A 61 -4.960 8.214 -1.113 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.037 9.625 -0.986 1.00 10.00 H new ATOM 958 N LEU A 62 -0.689 8.389 2.219 1.00 10.00 N ATOM 959 CA LEU A 62 -0.305 7.290 3.090 1.00 10.00 C ATOM 960 C LEU A 62 0.015 7.825 4.477 1.00 10.00 C ATOM 961 O LEU A 62 -0.086 7.106 5.470 1.00 10.00 O ATOM 962 CB LEU A 62 0.907 6.548 2.523 1.00 10.00 C ATOM 963 CG LEU A 62 0.696 5.892 1.161 1.00 10.00 C ATOM 964 CD1 LEU A 62 1.974 5.225 0.685 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.442 4.889 1.221 1.00 10.00 C ATOM 0 H LEU A 62 0.009 8.627 1.514 1.00 10.00 H new ATOM 0 HA LEU A 62 -1.137 6.589 3.155 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.737 7.250 2.444 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.206 5.779 3.235 1.00 10.00 H new ATOM 0 HG LEU A 62 0.429 6.669 0.444 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.803 4.763 -0.287 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.764 5.971 0.598 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.274 4.461 1.402 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.577 4.432 0.240 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.207 4.116 1.952 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.360 5.398 1.513 1.00 10.00 H new ATOM 977 N GLU A 63 0.388 9.102 4.537 1.00 10.00 N ATOM 978 CA GLU A 63 0.713 9.757 5.798 1.00 10.00 C ATOM 979 C GLU A 63 -0.513 9.823 6.701 1.00 10.00 C ATOM 980 O GLU A 63 -0.396 9.886 7.926 1.00 10.00 O ATOM 981 CB GLU A 63 1.241 11.168 5.537 1.00 10.00 C ATOM 982 CG GLU A 63 2.692 11.205 5.087 1.00 10.00 C ATOM 983 CD GLU A 63 3.646 10.786 6.184 1.00 10.00 C ATOM 984 OE1 GLU A 63 3.715 11.484 7.215 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.329 9.755 6.026 1.00 10.00 O ATOM 0 H GLU A 63 0.472 9.706 3.719 1.00 10.00 H new ATOM 0 HA GLU A 63 1.484 9.173 6.299 1.00 10.00 H new ATOM 0 HB2 GLU A 63 0.622 11.643 4.776 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.137 11.759 6.447 1.00 10.00 H new ATOM 0 HG2 GLU A 63 2.820 10.548 4.227 1.00 10.00 H new ATOM 0 HG3 GLU A 63 2.942 12.213 4.757 1.00 10.00 H new ATOM 992 N LYS A 64 -1.691 9.805 6.091 1.00 10.00 N ATOM 993 CA LYS A 64 -2.936 9.858 6.840 1.00 10.00 C ATOM 994 C LYS A 64 -3.292 8.477 7.385 1.00 10.00 C ATOM 995 O LYS A 64 -4.089 8.352 8.311 1.00 10.00 O ATOM 996 CB LYS A 64 -4.076 10.374 5.958 1.00 10.00 C ATOM 997 CG LYS A 64 -3.859 11.779 5.427 1.00 10.00 C ATOM 998 CD LYS A 64 -5.122 12.321 4.774 1.00 10.00 C ATOM 999 CE LYS A 64 -4.889 13.689 4.157 1.00 10.00 C ATOM 1000 NZ LYS A 64 -6.161 14.350 3.756 1.00 10.00 N ATOM 0 H LYS A 64 -1.809 9.754 5.079 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.798 10.545 7.675 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -4.206 9.694 5.116 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -5.003 10.352 6.531 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -3.557 12.436 6.242 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -3.045 11.775 4.703 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -5.461 11.627 4.005 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.917 12.387 5.517 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -4.362 14.322 4.871 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -4.244 13.587 3.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -5.953 15.280 3.340 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -6.653 13.760 3.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -6.767 14.472 4.592 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.683 7.447 6.813 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.950 6.078 7.233 1.00 10.00 C ATOM 1016 C GLN A 65 -1.742 5.492 7.958 1.00 10.00 C ATOM 1017 O GLN A 65 -1.699 4.296 8.260 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.309 5.216 6.018 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.383 5.828 5.125 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.727 5.964 5.819 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.442 6.945 5.617 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.088 4.971 6.619 1.00 10.00 N ATOM 0 H GLN A 65 -2.002 7.533 6.058 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.794 6.086 7.923 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.410 5.047 5.425 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.650 4.240 6.364 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.052 6.811 4.790 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.501 5.211 4.234 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -5.464 4.176 6.758 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -6.989 5.002 7.095 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.760 6.338 8.233 1.00 10.00 N ATOM 1032 CA LYS A 66 0.448 5.906 8.919 1.00 10.00 C ATOM 1033 C LYS A 66 0.167 5.708 10.404 1.00 10.00 C ATOM 1034 O LYS A 66 0.050 6.674 11.164 1.00 10.00 O ATOM 1035 CB LYS A 66 1.575 6.920 8.711 1.00 10.00 C ATOM 1036 CG LYS A 66 2.953 6.399 9.107 1.00 10.00 C ATOM 1037 CD LYS A 66 4.070 7.281 8.565 1.00 10.00 C ATOM 1038 CE LYS A 66 4.127 8.624 9.276 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.134 9.530 8.662 1.00 10.00 N ATOM 0 H LYS A 66 -0.777 7.329 7.991 1.00 10.00 H new ATOM 0 HA LYS A 66 0.768 4.953 8.498 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.596 7.215 7.662 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.356 7.817 9.290 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.024 6.350 10.194 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.078 5.383 8.733 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.025 6.769 8.680 1.00 10.00 H new ATOM 0 HD3 LYS A 66 3.920 7.441 7.497 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.145 9.096 9.242 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.370 8.469 10.327 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.875 10.519 8.856 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.071 9.332 9.066 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.160 9.374 7.634 1.00 10.00 H new ATOM 1053 N LYS A 67 0.058 4.452 10.811 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.229 4.114 12.201 1.00 10.00 C ATOM 1055 C LYS A 67 0.861 3.217 12.778 1.00 10.00 C ATOM 1056 O LYS A 67 1.773 2.812 12.058 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.588 3.417 12.307 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.734 4.216 11.708 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.997 3.380 11.590 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.134 4.166 10.957 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.348 3.327 10.775 1.00 10.00 N ATOM 0 H LYS A 67 0.164 3.645 10.196 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.256 5.039 12.777 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.530 2.450 11.807 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.804 3.220 13.357 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.932 5.090 12.328 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.447 4.583 10.723 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.791 2.492 10.992 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.299 3.035 12.579 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.376 5.025 11.583 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.813 4.556 9.991 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.096 3.892 10.325 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.119 2.512 10.171 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.679 2.989 11.701 1.00 10.00 H new ATOM 1105 N GLU B 6 -2.424 -12.165 -0.710 1.00 10.00 N ATOM 1106 CA GLU B 6 -1.126 -12.118 -1.364 1.00 10.00 C ATOM 1107 C GLU B 6 0.022 -12.190 -0.361 1.00 10.00 C ATOM 1108 O GLU B 6 -0.124 -11.815 0.807 1.00 10.00 O ATOM 1109 CB GLU B 6 -1.006 -10.841 -2.201 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.373 -9.573 -1.444 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.819 -9.161 -1.646 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -3.053 -8.063 -2.189 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.724 -9.933 -1.270 1.00 10.00 O ATOM 0 HA GLU B 6 -1.054 -12.991 -2.013 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.017 -10.752 -2.566 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.650 -10.930 -3.076 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -1.189 -9.725 -0.380 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.721 -8.762 -1.767 1.00 10.00 H new ATOM 1120 N GLU B 7 1.159 -12.689 -0.827 1.00 10.00 N ATOM 1121 CA GLU B 7 2.350 -12.808 -0.001 1.00 10.00 C ATOM 1122 C GLU B 7 3.446 -11.903 -0.549 1.00 10.00 C ATOM 1123 O GLU B 7 3.390 -11.485 -1.712 1.00 10.00 O ATOM 1124 CB GLU B 7 2.840 -14.256 0.036 1.00 10.00 C ATOM 1125 CG GLU B 7 1.869 -15.220 0.698 1.00 10.00 C ATOM 1126 CD GLU B 7 2.489 -15.937 1.879 1.00 10.00 C ATOM 1127 OE1 GLU B 7 1.815 -16.066 2.924 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.649 -16.380 1.768 1.00 10.00 O ATOM 0 H GLU B 7 1.280 -13.021 -1.784 1.00 10.00 H new ATOM 0 HA GLU B 7 2.101 -12.503 1.016 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.030 -14.591 -0.984 1.00 10.00 H new ATOM 0 HB3 GLU B 7 3.792 -14.293 0.566 1.00 10.00 H new ATOM 0 HG2 GLU B 7 0.987 -14.673 1.030 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.532 -15.954 -0.034 1.00 10.00 H new ATOM 1135 N GLU B 8 4.434 -11.597 0.278 1.00 10.00 N ATOM 1136 CA GLU B 8 5.534 -10.733 -0.130 1.00 10.00 C ATOM 1137 C GLU B 8 6.878 -11.329 0.255 1.00 10.00 C ATOM 1138 O GLU B 8 6.956 -12.459 0.739 1.00 10.00 O ATOM 1139 CB GLU B 8 5.407 -9.353 0.510 1.00 10.00 C ATOM 1140 CG GLU B 8 4.100 -8.652 0.222 1.00 10.00 C ATOM 1141 CD GLU B 8 4.250 -7.153 0.258 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.438 -6.552 -0.819 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.201 -6.578 1.369 1.00 10.00 O ATOM 0 H GLU B 8 4.498 -11.935 1.238 1.00 10.00 H new ATOM 0 HA GLU B 8 5.481 -10.641 -1.215 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.522 -9.454 1.589 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.227 -8.726 0.160 1.00 10.00 H new ATOM 0 HG2 GLU B 8 3.732 -8.957 -0.758 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.353 -8.960 0.954 1.00 10.00 H new ATOM 1150 N GLY B 9 7.932 -10.559 0.029 1.00 10.00 N ATOM 1151 CA GLY B 9 9.262 -11.003 0.357 1.00 10.00 C ATOM 1152 C GLY B 9 10.313 -10.173 -0.337 1.00 10.00 C ATOM 1153 O GLY B 9 10.806 -10.545 -1.400 1.00 10.00 O ATOM 0 H GLY B 9 7.884 -9.626 -0.380 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.408 -10.948 1.436 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.377 -12.049 0.072 1.00 10.00 H new ATOM 1157 N GLU B 10 10.629 -9.027 0.244 1.00 10.00 N ATOM 1158 CA GLU B 10 11.628 -8.142 -0.322 1.00 10.00 C ATOM 1159 C GLU B 10 12.899 -8.183 0.500 1.00 10.00 C ATOM 1160 O GLU B 10 12.858 -8.049 1.725 1.00 10.00 O ATOM 1161 CB GLU B 10 11.114 -6.707 -0.386 1.00 10.00 C ATOM 1162 CG GLU B 10 10.684 -6.266 -1.774 1.00 10.00 C ATOM 1163 CD GLU B 10 9.967 -7.362 -2.543 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.546 -7.881 -3.525 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.831 -7.716 -2.168 1.00 10.00 O ATOM 0 H GLU B 10 10.206 -8.689 1.109 1.00 10.00 H new ATOM 0 HA GLU B 10 11.840 -8.486 -1.334 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.269 -6.604 0.295 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.895 -6.036 -0.028 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.028 -5.400 -1.688 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.561 -5.947 -2.337 1.00 10.00 H new ATOM 1172 N GLU B 11 14.023 -8.384 -0.163 1.00 10.00 N ATOM 1173 CA GLU B 11 15.294 -8.422 0.527 1.00 10.00 C ATOM 1174 C GLU B 11 15.761 -7.003 0.801 1.00 10.00 C ATOM 1175 O GLU B 11 16.049 -6.242 -0.125 1.00 10.00 O ATOM 1176 CB GLU B 11 16.335 -9.191 -0.286 1.00 10.00 C ATOM 1177 CG GLU B 11 17.291 -9.990 0.581 1.00 10.00 C ATOM 1178 CD GLU B 11 16.590 -10.646 1.754 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.700 -10.129 2.884 1.00 10.00 O ATOM 1180 OE2 GLU B 11 15.912 -11.672 1.551 1.00 10.00 O ATOM 0 H GLU B 11 14.080 -8.522 -1.172 1.00 10.00 H new ATOM 0 HA GLU B 11 15.168 -8.945 1.475 1.00 10.00 H new ATOM 0 HB2 GLU B 11 15.825 -9.866 -0.973 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.905 -8.488 -0.894 1.00 10.00 H new ATOM 0 HG2 GLU B 11 17.775 -10.756 -0.025 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.078 -9.333 0.952 1.00 10.00 H new ATOM 1187 N TYR B 12 15.811 -6.651 2.074 1.00 10.00 N ATOM 1188 CA TYR B 12 16.217 -5.317 2.485 1.00 10.00 C ATOM 1189 C TYR B 12 17.737 -5.213 2.569 1.00 10.00 C ATOM 1190 O TYR B 12 18.431 -6.219 2.737 1.00 10.00 O ATOM 1191 CB TYR B 12 15.588 -4.973 3.837 1.00 10.00 C ATOM 1192 CG TYR B 12 15.039 -3.563 3.918 1.00 10.00 C ATOM 1193 CD1 TYR B 12 15.702 -2.500 3.315 1.00 10.00 C ATOM 1194 CD2 TYR B 12 13.858 -3.296 4.605 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.205 -1.212 3.396 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.358 -2.014 4.686 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.033 -0.978 4.083 1.00 10.00 C ATOM 1198 OH TYR B 12 13.538 0.302 4.170 1.00 10.00 O ATOM 0 H TYR B 12 15.574 -7.274 2.846 1.00 10.00 H new ATOM 0 HA TYR B 12 15.868 -4.605 1.737 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.783 -5.678 4.042 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.335 -5.107 4.619 1.00 10.00 H new ATOM 0 HD1 TYR B 12 16.619 -2.683 2.775 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.325 -4.106 5.082 1.00 10.00 H new ATOM 0 HE1 TYR B 12 15.731 -0.395 2.924 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.439 -1.824 5.221 1.00 10.00 H new ATOM 0 HH TYR B 12 13.507 0.578 5.110 1.00 10.00 H new