USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 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 Set 1.1: A 16 LYS NZ :NH3+ -175:sc= 1.45 (180deg=0.932) USER MOD Set 1.2: A 37 TYR OH : rot -155:sc= 1.51 USER MOD Single : A 2 SER OG : rot -134:sc= 1.16 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 4 MET CE :methyl -118:sc= 0 (180deg=-0.401) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0935 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.1) USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= 1.01 (180deg=0.776) USER MOD Single : A 11 TYR OH : rot 11:sc= 0.0971 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.93) USER MOD Single : A 21 SER OG : rot -78:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.16) USER MOD Single : A 34 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-3.1!) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -0.121 (180deg=-0.183) USER MOD Single : A 46 MET CE :methyl 173:sc= 0 (180deg=-0.0451) USER MOD Single : A 48 MET CE :methyl 145:sc= -0.962 (180deg=-1.93) USER MOD Single : A 50 SER OG : rot -102:sc= 1.45 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= -0.728 X(o=-0.73,f=-0.35) USER MOD Single : A 61 MET CE :methyl 173:sc= -0.58 (180deg=-0.782) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.274 K(o=-0.27,f=-0.79) USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= 0.0884 (180deg=-0.981!) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0.798 (180deg=0.751) USER MOD Single : B 12 TYR OH : rot -134:sc= 1.56 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.315 3.245 -5.196 1.00 10.00 N ATOM 9 CA SER A 2 -16.770 3.979 -4.067 1.00 10.00 C ATOM 10 C SER A 2 -16.641 5.459 -4.406 1.00 10.00 C ATOM 11 O SER A 2 -16.302 5.826 -5.534 1.00 10.00 O ATOM 12 CB SER A 2 -15.406 3.403 -3.663 1.00 10.00 C ATOM 13 OG SER A 2 -14.942 3.972 -2.446 1.00 10.00 O ATOM 0 HA SER A 2 -17.454 3.875 -3.225 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.484 2.321 -3.554 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.681 3.592 -4.454 1.00 10.00 H new ATOM 0 HG SER A 2 -14.000 4.224 -2.541 1.00 10.00 H new ATOM 19 N HIS A 3 -16.937 6.304 -3.434 1.00 10.00 N ATOM 20 CA HIS A 3 -16.847 7.744 -3.615 1.00 10.00 C ATOM 21 C HIS A 3 -15.636 8.282 -2.870 1.00 10.00 C ATOM 22 O HIS A 3 -15.491 9.491 -2.678 1.00 10.00 O ATOM 23 CB HIS A 3 -18.121 8.436 -3.128 1.00 10.00 C ATOM 24 CG HIS A 3 -19.261 8.350 -4.097 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.957 9.469 -4.483 1.00 10.00 N ATOM 26 CD2 HIS A 3 -19.787 7.266 -4.717 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.886 9.049 -5.324 1.00 10.00 C ATOM 28 NE2 HIS A 3 -20.822 7.721 -5.492 1.00 10.00 N ATOM 0 H HIS A 3 -17.244 6.016 -2.505 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.735 7.954 -4.679 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.426 7.991 -2.181 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.901 9.485 -2.931 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -19.455 6.243 -4.620 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.603 9.692 -5.812 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.429 7.155 -6.085 1.00 10.00 H new ATOM 36 N MET A 4 -14.771 7.373 -2.454 1.00 10.00 N ATOM 37 CA MET A 4 -13.567 7.737 -1.730 1.00 10.00 C ATOM 38 C MET A 4 -12.407 7.888 -2.708 1.00 10.00 C ATOM 39 O MET A 4 -12.592 7.779 -3.920 1.00 10.00 O ATOM 40 CB MET A 4 -13.233 6.676 -0.673 1.00 10.00 C ATOM 41 CG MET A 4 -14.411 6.295 0.209 1.00 10.00 C ATOM 42 SD MET A 4 -14.961 7.645 1.272 1.00 10.00 S ATOM 43 CE MET A 4 -13.663 7.652 2.508 1.00 10.00 C ATOM 0 H MET A 4 -14.882 6.371 -2.607 1.00 10.00 H new ATOM 0 HA MET A 4 -13.735 8.687 -1.222 1.00 10.00 H new ATOM 0 HB2 MET A 4 -12.862 5.782 -1.174 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.424 7.047 -0.043 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.241 5.975 -0.421 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.133 5.442 0.828 1.00 10.00 H new ATOM 0 HE1 MET A 4 -14.091 7.432 3.486 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.919 6.895 2.259 1.00 10.00 H new ATOM 0 HE3 MET A 4 -13.188 8.633 2.532 1.00 10.00 H new ATOM 53 N ALA A 5 -11.219 8.139 -2.186 1.00 10.00 N ATOM 54 CA ALA A 5 -10.040 8.300 -3.024 1.00 10.00 C ATOM 55 C ALA A 5 -9.281 6.984 -3.158 1.00 10.00 C ATOM 56 O ALA A 5 -8.839 6.405 -2.164 1.00 10.00 O ATOM 57 CB ALA A 5 -9.134 9.383 -2.461 1.00 10.00 C ATOM 0 H ALA A 5 -11.044 8.236 -1.186 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.369 8.602 -4.018 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.257 9.491 -3.099 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.676 10.328 -2.425 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.819 9.107 -1.455 1.00 10.00 H new ATOM 63 N THR A 6 -9.141 6.512 -4.388 1.00 10.00 N ATOM 64 CA THR A 6 -8.436 5.270 -4.655 1.00 10.00 C ATOM 65 C THR A 6 -6.945 5.529 -4.850 1.00 10.00 C ATOM 66 O THR A 6 -6.551 6.426 -5.601 1.00 10.00 O ATOM 67 CB THR A 6 -9.010 4.580 -5.904 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.679 5.550 -6.722 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.984 3.483 -5.508 1.00 10.00 C ATOM 0 H THR A 6 -9.509 6.974 -5.220 1.00 10.00 H new ATOM 0 HA THR A 6 -8.571 4.615 -3.795 1.00 10.00 H new ATOM 0 HB THR A 6 -8.191 4.130 -6.465 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.043 5.111 -7.519 1.00 10.00 H new ATOM 0 HG21 THR A 6 -10.380 3.006 -6.405 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.468 2.740 -4.900 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.804 3.914 -4.935 1.00 10.00 H new ATOM 77 N VAL A 7 -6.121 4.750 -4.161 1.00 10.00 N ATOM 78 CA VAL A 7 -4.674 4.897 -4.243 1.00 10.00 C ATOM 79 C VAL A 7 -4.064 3.778 -5.083 1.00 10.00 C ATOM 80 O VAL A 7 -4.440 2.612 -4.945 1.00 10.00 O ATOM 81 CB VAL A 7 -4.025 4.884 -2.841 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.711 5.650 -2.847 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.970 5.457 -1.798 1.00 10.00 C ATOM 0 H VAL A 7 -6.432 4.006 -3.536 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.476 5.859 -4.715 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.817 3.847 -2.578 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.272 5.627 -1.850 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -2.024 5.188 -3.556 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.894 6.684 -3.140 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.489 5.436 -0.820 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -5.218 6.486 -2.058 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.882 4.860 -1.766 1.00 10.00 H new ATOM 93 N LYS A 8 -3.134 4.136 -5.959 1.00 10.00 N ATOM 94 CA LYS A 8 -2.473 3.161 -6.815 1.00 10.00 C ATOM 95 C LYS A 8 -1.074 2.853 -6.290 1.00 10.00 C ATOM 96 O LYS A 8 -0.300 3.760 -5.991 1.00 10.00 O ATOM 97 CB LYS A 8 -2.391 3.670 -8.257 1.00 10.00 C ATOM 98 CG LYS A 8 -3.709 3.595 -9.008 1.00 10.00 C ATOM 99 CD LYS A 8 -3.498 3.728 -10.508 1.00 10.00 C ATOM 100 CE LYS A 8 -4.761 3.400 -11.285 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.467 3.078 -12.708 1.00 10.00 N ATOM 0 H LYS A 8 -2.820 5.097 -6.095 1.00 10.00 H new ATOM 0 HA LYS A 8 -3.064 2.245 -6.804 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -2.046 4.704 -8.249 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.643 3.089 -8.796 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -4.201 2.647 -8.790 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.374 4.386 -8.660 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -3.181 4.744 -10.742 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.694 3.062 -10.823 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -5.266 2.554 -10.818 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.447 4.246 -11.238 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.322 2.698 -13.162 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -4.167 3.941 -13.204 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.707 2.370 -12.754 1.00 10.00 H new ATOM 115 N PHE A 9 -0.757 1.575 -6.184 1.00 10.00 N ATOM 116 CA PHE A 9 0.537 1.142 -5.684 1.00 10.00 C ATOM 117 C PHE A 9 1.248 0.264 -6.705 1.00 10.00 C ATOM 118 O PHE A 9 0.652 -0.164 -7.692 1.00 10.00 O ATOM 119 CB PHE A 9 0.367 0.370 -4.374 1.00 10.00 C ATOM 120 CG PHE A 9 -0.437 1.105 -3.342 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.741 0.732 -3.070 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.114 2.166 -2.644 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.482 1.403 -2.117 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.622 2.840 -1.692 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.923 2.458 -1.428 1.00 10.00 C ATOM 0 H PHE A 9 -1.384 0.812 -6.440 1.00 10.00 H new ATOM 0 HA PHE A 9 1.143 2.030 -5.504 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.115 -0.585 -4.585 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.352 0.147 -3.964 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.184 -0.093 -3.609 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.131 2.469 -2.847 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.499 1.101 -1.912 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -0.181 3.666 -1.153 1.00 10.00 H new ATOM 0 HZ PHE A 9 -2.501 2.985 -0.683 1.00 10.00 H new ATOM 135 N LYS A 10 2.518 -0.006 -6.453 1.00 10.00 N ATOM 136 CA LYS A 10 3.313 -0.836 -7.338 1.00 10.00 C ATOM 137 C LYS A 10 3.757 -2.095 -6.600 1.00 10.00 C ATOM 138 O LYS A 10 4.866 -2.171 -6.074 1.00 10.00 O ATOM 139 CB LYS A 10 4.521 -0.048 -7.851 1.00 10.00 C ATOM 140 CG LYS A 10 5.016 -0.490 -9.220 1.00 10.00 C ATOM 141 CD LYS A 10 5.958 0.545 -9.806 1.00 10.00 C ATOM 142 CE LYS A 10 6.736 0.003 -10.992 1.00 10.00 C ATOM 143 NZ LYS A 10 7.844 0.916 -11.373 1.00 10.00 N ATOM 0 H LYS A 10 3.022 0.341 -5.637 1.00 10.00 H new ATOM 0 HA LYS A 10 2.711 -1.132 -8.197 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.259 1.009 -7.895 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.336 -0.145 -7.133 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.527 -1.449 -9.136 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.168 -0.638 -9.889 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.387 1.420 -10.117 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.655 0.877 -9.037 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.139 -0.979 -10.747 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.064 -0.131 -11.840 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.530 0.402 -11.961 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.462 1.721 -11.910 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.317 1.265 -10.515 1.00 10.00 H new ATOM 157 N TYR A 11 2.864 -3.071 -6.561 1.00 10.00 N ATOM 158 CA TYR A 11 3.121 -4.333 -5.884 1.00 10.00 C ATOM 159 C TYR A 11 4.126 -5.173 -6.670 1.00 10.00 C ATOM 160 O TYR A 11 3.781 -5.800 -7.674 1.00 10.00 O ATOM 161 CB TYR A 11 1.796 -5.083 -5.683 1.00 10.00 C ATOM 162 CG TYR A 11 1.927 -6.576 -5.452 1.00 10.00 C ATOM 163 CD1 TYR A 11 2.926 -7.101 -4.643 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.041 -7.460 -6.054 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.038 -8.458 -4.443 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.147 -8.821 -5.855 1.00 10.00 C ATOM 167 CZ TYR A 11 2.147 -9.314 -5.048 1.00 10.00 C ATOM 168 OH TYR A 11 2.260 -10.671 -4.846 1.00 10.00 O ATOM 0 H TYR A 11 1.943 -3.012 -6.996 1.00 10.00 H new ATOM 0 HA TYR A 11 3.560 -4.136 -4.906 1.00 10.00 H new ATOM 0 HB2 TYR A 11 1.274 -4.644 -4.832 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.169 -4.921 -6.560 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.626 -6.434 -4.163 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.256 -7.076 -6.688 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.823 -8.850 -3.813 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.450 -9.495 -6.330 1.00 10.00 H new ATOM 0 HH TYR A 11 2.900 -10.842 -4.124 1.00 10.00 H new ATOM 178 N LYS A 12 5.375 -5.149 -6.209 1.00 10.00 N ATOM 179 CA LYS A 12 6.467 -5.902 -6.828 1.00 10.00 C ATOM 180 C LYS A 12 6.588 -5.584 -8.320 1.00 10.00 C ATOM 181 O LYS A 12 7.044 -6.413 -9.105 1.00 10.00 O ATOM 182 CB LYS A 12 6.279 -7.409 -6.619 1.00 10.00 C ATOM 183 CG LYS A 12 7.550 -8.113 -6.167 1.00 10.00 C ATOM 184 CD LYS A 12 7.370 -9.619 -6.094 1.00 10.00 C ATOM 185 CE LYS A 12 8.641 -10.305 -5.622 1.00 10.00 C ATOM 186 NZ LYS A 12 8.629 -11.760 -5.910 1.00 10.00 N ATOM 0 H LYS A 12 5.660 -4.606 -5.394 1.00 10.00 H new ATOM 0 HA LYS A 12 7.393 -5.596 -6.341 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.497 -7.572 -5.877 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.934 -7.858 -7.550 1.00 10.00 H new ATOM 0 HG2 LYS A 12 8.360 -7.878 -6.857 1.00 10.00 H new ATOM 0 HG3 LYS A 12 7.845 -7.735 -5.188 1.00 10.00 H new ATOM 0 HD2 LYS A 12 6.552 -9.857 -5.414 1.00 10.00 H new ATOM 0 HD3 LYS A 12 7.091 -10.002 -7.076 1.00 10.00 H new ATOM 0 HE2 LYS A 12 9.502 -9.847 -6.108 1.00 10.00 H new ATOM 0 HE3 LYS A 12 8.760 -10.149 -4.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.514 -12.188 -5.572 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 7.823 -12.203 -5.425 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 8.542 -11.910 -6.935 1.00 10.00 H new ATOM 200 N GLY A 13 6.178 -4.377 -8.703 1.00 10.00 N ATOM 201 CA GLY A 13 6.246 -3.973 -10.095 1.00 10.00 C ATOM 202 C GLY A 13 4.885 -3.918 -10.762 1.00 10.00 C ATOM 203 O GLY A 13 4.684 -3.166 -11.717 1.00 10.00 O ATOM 0 H GLY A 13 5.799 -3.671 -8.072 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.717 -2.992 -10.161 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.884 -4.670 -10.639 1.00 10.00 H new ATOM 207 N GLU A 14 3.945 -4.702 -10.256 1.00 10.00 N ATOM 208 CA GLU A 14 2.598 -4.746 -10.811 1.00 10.00 C ATOM 209 C GLU A 14 1.718 -3.694 -10.142 1.00 10.00 C ATOM 210 O GLU A 14 1.667 -3.603 -8.918 1.00 10.00 O ATOM 211 CB GLU A 14 2.003 -6.142 -10.621 1.00 10.00 C ATOM 212 CG GLU A 14 0.794 -6.427 -11.498 1.00 10.00 C ATOM 213 CD GLU A 14 0.406 -7.890 -11.487 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.850 -8.634 -12.390 1.00 10.00 O ATOM 215 OE2 GLU A 14 -0.331 -8.308 -10.571 1.00 10.00 O ATOM 0 H GLU A 14 4.090 -5.320 -9.458 1.00 10.00 H new ATOM 0 HA GLU A 14 2.645 -4.527 -11.878 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.773 -6.885 -10.830 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.717 -6.264 -9.576 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.049 -5.828 -11.155 1.00 10.00 H new ATOM 0 HG3 GLU A 14 1.010 -6.119 -12.521 1.00 10.00 H new ATOM 222 N GLU A 15 1.023 -2.900 -10.945 1.00 10.00 N ATOM 223 CA GLU A 15 0.170 -1.848 -10.412 1.00 10.00 C ATOM 224 C GLU A 15 -1.067 -2.419 -9.724 1.00 10.00 C ATOM 225 O GLU A 15 -1.772 -3.268 -10.278 1.00 10.00 O ATOM 226 CB GLU A 15 -0.252 -0.882 -11.519 1.00 10.00 C ATOM 227 CG GLU A 15 -1.058 0.300 -11.005 1.00 10.00 C ATOM 228 CD GLU A 15 -1.536 1.214 -12.108 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.748 2.073 -12.553 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.708 1.092 -12.523 1.00 10.00 O ATOM 0 H GLU A 15 1.033 -2.964 -11.963 1.00 10.00 H new ATOM 0 HA GLU A 15 0.753 -1.306 -9.667 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.638 -0.513 -12.029 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.843 -1.422 -12.259 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.919 -0.069 -10.448 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.448 0.872 -10.306 1.00 10.00 H new ATOM 237 N LYS A 16 -1.307 -1.937 -8.516 1.00 10.00 N ATOM 238 CA LYS A 16 -2.447 -2.340 -7.709 1.00 10.00 C ATOM 239 C LYS A 16 -3.201 -1.093 -7.273 1.00 10.00 C ATOM 240 O LYS A 16 -2.620 -0.012 -7.211 1.00 10.00 O ATOM 241 CB LYS A 16 -1.977 -3.119 -6.479 1.00 10.00 C ATOM 242 CG LYS A 16 -1.925 -4.625 -6.681 1.00 10.00 C ATOM 243 CD LYS A 16 -3.036 -5.322 -5.913 1.00 10.00 C ATOM 244 CE LYS A 16 -2.642 -6.733 -5.500 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.613 -7.327 -4.540 1.00 10.00 N ATOM 0 H LYS A 16 -0.709 -1.247 -8.063 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.101 -2.985 -8.296 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -0.985 -2.767 -6.196 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.644 -2.898 -5.645 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.014 -4.855 -7.743 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.958 -5.005 -6.352 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -3.284 -4.740 -5.025 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.934 -5.362 -6.530 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -2.576 -7.365 -6.386 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.651 -6.714 -5.047 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.263 -8.253 -4.220 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.721 -6.696 -3.720 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.534 -7.448 -5.008 1.00 10.00 H new ATOM 259 N GLN A 17 -4.479 -1.228 -6.980 1.00 10.00 N ATOM 260 CA GLN A 17 -5.268 -0.084 -6.555 1.00 10.00 C ATOM 261 C GLN A 17 -6.137 -0.436 -5.356 1.00 10.00 C ATOM 262 O GLN A 17 -6.946 -1.366 -5.409 1.00 10.00 O ATOM 263 CB GLN A 17 -6.132 0.434 -7.704 1.00 10.00 C ATOM 264 CG GLN A 17 -6.785 1.773 -7.403 1.00 10.00 C ATOM 265 CD GLN A 17 -7.368 2.434 -8.635 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.406 3.657 -8.734 1.00 10.00 O ATOM 267 NE2 GLN A 17 -7.821 1.637 -9.585 1.00 10.00 N ATOM 0 H GLN A 17 -4.992 -2.109 -7.027 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.578 0.706 -6.257 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.517 0.530 -8.599 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.907 -0.299 -7.927 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.575 1.629 -6.666 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.048 2.439 -6.954 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.773 0.625 -9.468 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.219 2.033 -10.436 1.00 10.00 H new ATOM 276 N VAL A 18 -5.953 0.306 -4.275 1.00 10.00 N ATOM 277 CA VAL A 18 -6.718 0.090 -3.058 1.00 10.00 C ATOM 278 C VAL A 18 -7.344 1.400 -2.595 1.00 10.00 C ATOM 279 O VAL A 18 -6.713 2.457 -2.654 1.00 10.00 O ATOM 280 CB VAL A 18 -5.845 -0.478 -1.913 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.710 -0.998 -0.779 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.915 -1.575 -2.419 1.00 10.00 C ATOM 0 H VAL A 18 -5.276 1.067 -4.217 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.492 -0.641 -3.293 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.230 0.338 -1.532 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -6.073 -1.392 0.013 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.320 -0.185 -0.384 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.359 -1.791 -1.151 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.315 -1.954 -1.592 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.507 -2.388 -2.840 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.258 -1.169 -3.188 1.00 10.00 H new ATOM 292 N ASP A 19 -8.593 1.325 -2.161 1.00 10.00 N ATOM 293 CA ASP A 19 -9.316 2.494 -1.681 1.00 10.00 C ATOM 294 C ASP A 19 -8.762 2.948 -0.334 1.00 10.00 C ATOM 295 O ASP A 19 -8.309 2.127 0.469 1.00 10.00 O ATOM 296 CB ASP A 19 -10.806 2.171 -1.555 1.00 10.00 C ATOM 297 CG ASP A 19 -11.659 3.403 -1.340 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.603 3.986 -0.237 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.399 3.778 -2.266 1.00 10.00 O ATOM 0 H ASP A 19 -9.131 0.459 -2.131 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.187 3.304 -2.399 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.139 1.657 -2.457 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.954 1.483 -0.723 1.00 10.00 H new ATOM 304 N ILE A 20 -8.800 4.251 -0.093 1.00 10.00 N ATOM 305 CA ILE A 20 -8.304 4.822 1.154 1.00 10.00 C ATOM 306 C ILE A 20 -9.080 4.287 2.365 1.00 10.00 C ATOM 307 O ILE A 20 -8.546 4.213 3.471 1.00 10.00 O ATOM 308 CB ILE A 20 -8.367 6.371 1.124 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.634 6.969 2.328 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.812 6.860 1.081 1.00 10.00 C ATOM 311 CD1 ILE A 20 -6.126 6.984 2.181 1.00 10.00 C ATOM 0 H ILE A 20 -9.172 4.938 -0.749 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.262 4.518 1.254 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.867 6.708 0.216 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -7.984 7.989 2.485 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -7.897 6.401 3.220 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.827 7.950 1.061 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.300 6.474 0.186 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.342 6.506 1.965 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -5.678 7.422 3.073 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -5.763 5.964 2.056 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -5.851 7.577 1.309 1.00 10.00 H new ATOM 323 N SER A 21 -10.332 3.895 2.152 1.00 10.00 N ATOM 324 CA SER A 21 -11.154 3.370 3.237 1.00 10.00 C ATOM 325 C SER A 21 -10.889 1.881 3.447 1.00 10.00 C ATOM 326 O SER A 21 -11.277 1.303 4.465 1.00 10.00 O ATOM 327 CB SER A 21 -12.641 3.620 2.959 1.00 10.00 C ATOM 328 OG SER A 21 -13.028 3.127 1.687 1.00 10.00 O ATOM 0 H SER A 21 -10.797 3.930 1.245 1.00 10.00 H new ATOM 0 HA SER A 21 -10.883 3.896 4.153 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.241 3.141 3.733 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.846 4.689 3.013 1.00 10.00 H new ATOM 0 HG SER A 21 -12.730 3.749 0.991 1.00 10.00 H new ATOM 334 N LYS A 22 -10.219 1.264 2.484 1.00 10.00 N ATOM 335 CA LYS A 22 -9.899 -0.153 2.567 1.00 10.00 C ATOM 336 C LYS A 22 -8.560 -0.354 3.262 1.00 10.00 C ATOM 337 O LYS A 22 -8.290 -1.420 3.809 1.00 10.00 O ATOM 338 CB LYS A 22 -9.879 -0.787 1.175 1.00 10.00 C ATOM 339 CG LYS A 22 -11.251 -1.228 0.699 1.00 10.00 C ATOM 340 CD LYS A 22 -11.214 -1.781 -0.719 1.00 10.00 C ATOM 341 CE LYS A 22 -12.552 -2.392 -1.114 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.670 -2.593 -2.581 1.00 10.00 N ATOM 0 H LYS A 22 -9.887 1.723 1.636 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.674 -0.645 3.155 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.467 -0.072 0.463 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.211 -1.648 1.185 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.641 -1.989 1.375 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.938 -0.383 0.740 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.957 -0.983 -1.416 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.431 -2.535 -0.796 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -12.675 -3.349 -0.608 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.359 -1.744 -0.772 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.597 -3.011 -2.801 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.579 -1.677 -3.065 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.917 -3.232 -2.906 1.00 10.00 H new ATOM 356 N ILE A 23 -7.726 0.676 3.236 1.00 10.00 N ATOM 357 CA ILE A 23 -6.420 0.616 3.875 1.00 10.00 C ATOM 358 C ILE A 23 -6.569 0.685 5.393 1.00 10.00 C ATOM 359 O ILE A 23 -7.207 1.597 5.920 1.00 10.00 O ATOM 360 CB ILE A 23 -5.499 1.759 3.391 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.345 1.704 1.870 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.139 1.672 4.070 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.650 2.913 1.283 1.00 10.00 C ATOM 0 H ILE A 23 -7.931 1.564 2.778 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.961 -0.333 3.597 1.00 10.00 H new ATOM 0 HB ILE A 23 -5.955 2.712 3.660 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.784 0.809 1.603 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.332 1.608 1.417 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.504 2.484 3.717 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.266 1.753 5.150 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.673 0.716 3.830 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.578 2.802 0.201 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.221 3.811 1.518 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.649 2.999 1.706 1.00 10.00 H new ATOM 375 N LEU A 24 -5.987 -0.278 6.086 1.00 10.00 N ATOM 376 CA LEU A 24 -6.069 -0.331 7.535 1.00 10.00 C ATOM 377 C LEU A 24 -4.952 0.489 8.172 1.00 10.00 C ATOM 378 O LEU A 24 -5.207 1.499 8.831 1.00 10.00 O ATOM 379 CB LEU A 24 -5.993 -1.783 8.011 1.00 10.00 C ATOM 380 CG LEU A 24 -7.059 -2.720 7.432 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.734 -4.168 7.768 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.435 -2.345 7.954 1.00 10.00 C ATOM 0 H LEU A 24 -5.450 -1.037 5.666 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.024 0.096 7.841 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -5.009 -2.179 7.759 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.073 -1.796 9.098 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.062 -2.612 6.347 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.501 -4.820 7.349 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.764 -4.431 7.345 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.704 -4.292 8.850 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.180 -3.020 7.533 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.446 -2.425 9.041 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.668 -1.321 7.663 1.00 10.00 H new ATOM 394 N SER A 25 -3.713 0.056 7.974 1.00 10.00 N ATOM 395 CA SER A 25 -2.565 0.750 8.545 1.00 10.00 C ATOM 396 C SER A 25 -1.364 0.700 7.604 1.00 10.00 C ATOM 397 O SER A 25 -1.136 -0.304 6.925 1.00 10.00 O ATOM 398 CB SER A 25 -2.191 0.121 9.891 1.00 10.00 C ATOM 399 OG SER A 25 -3.309 -0.512 10.492 1.00 10.00 O ATOM 0 H SER A 25 -3.478 -0.770 7.424 1.00 10.00 H new ATOM 0 HA SER A 25 -2.841 1.794 8.692 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.393 -0.607 9.745 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.803 0.890 10.559 1.00 10.00 H new ATOM 0 HG SER A 25 -3.041 -0.906 11.348 1.00 10.00 H new ATOM 405 N VAL A 26 -0.618 1.795 7.554 1.00 10.00 N ATOM 406 CA VAL A 26 0.573 1.889 6.719 1.00 10.00 C ATOM 407 C VAL A 26 1.811 2.031 7.598 1.00 10.00 C ATOM 408 O VAL A 26 1.785 2.754 8.595 1.00 10.00 O ATOM 409 CB VAL A 26 0.493 3.093 5.756 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.715 3.151 4.854 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.780 3.032 4.927 1.00 10.00 C ATOM 0 H VAL A 26 -0.820 2.640 8.088 1.00 10.00 H new ATOM 0 HA VAL A 26 0.637 0.977 6.126 1.00 10.00 H new ATOM 0 HB VAL A 26 0.471 4.003 6.355 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.633 4.008 4.186 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.613 3.251 5.464 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.776 2.236 4.265 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.818 3.889 4.255 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.790 2.112 4.343 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.646 3.051 5.588 1.00 10.00 H new ATOM 421 N GLY A 27 2.878 1.330 7.243 1.00 10.00 N ATOM 422 CA GLY A 27 4.103 1.401 8.007 1.00 10.00 C ATOM 423 C GLY A 27 5.322 1.589 7.130 1.00 10.00 C ATOM 424 O GLY A 27 5.612 0.757 6.265 1.00 10.00 O ATOM 0 H GLY A 27 2.915 0.710 6.434 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.038 2.227 8.716 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.217 0.488 8.591 1.00 10.00 H new ATOM 428 N ARG A 28 6.030 2.690 7.335 1.00 10.00 N ATOM 429 CA ARG A 28 7.226 2.980 6.562 1.00 10.00 C ATOM 430 C ARG A 28 8.443 2.351 7.229 1.00 10.00 C ATOM 431 O ARG A 28 8.927 2.845 8.248 1.00 10.00 O ATOM 432 CB ARG A 28 7.430 4.495 6.423 1.00 10.00 C ATOM 433 CG ARG A 28 8.602 4.877 5.527 1.00 10.00 C ATOM 434 CD ARG A 28 9.129 6.267 5.853 1.00 10.00 C ATOM 435 NE ARG A 28 10.113 6.729 4.872 1.00 10.00 N ATOM 436 CZ ARG A 28 11.146 7.525 5.159 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.342 7.950 6.399 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.974 7.913 4.199 1.00 10.00 N ATOM 0 H ARG A 28 5.796 3.397 8.031 1.00 10.00 H new ATOM 0 HA ARG A 28 7.103 2.555 5.566 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.519 4.940 6.023 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.586 4.924 7.413 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.403 4.147 5.644 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.289 4.842 4.483 1.00 10.00 H new ATOM 0 HD2 ARG A 28 8.297 6.970 5.889 1.00 10.00 H new ATOM 0 HD3 ARG A 28 9.583 6.259 6.844 1.00 10.00 H new ATOM 0 HE ARG A 28 10.002 6.423 3.905 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.702 7.669 7.142 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.133 8.558 6.611 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.823 7.603 3.239 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.762 8.521 4.420 1.00 10.00 H new ATOM 452 N TYR A 29 8.929 1.258 6.653 1.00 10.00 N ATOM 453 CA TYR A 29 10.097 0.564 7.188 1.00 10.00 C ATOM 454 C TYR A 29 11.365 1.336 6.847 1.00 10.00 C ATOM 455 O TYR A 29 12.451 1.035 7.345 1.00 10.00 O ATOM 456 CB TYR A 29 10.183 -0.858 6.623 1.00 10.00 C ATOM 457 CG TYR A 29 9.285 -1.852 7.322 1.00 10.00 C ATOM 458 CD1 TYR A 29 7.902 -1.776 7.207 1.00 10.00 C ATOM 459 CD2 TYR A 29 9.823 -2.874 8.091 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.081 -2.691 7.841 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.009 -3.791 8.727 1.00 10.00 C ATOM 462 CZ TYR A 29 7.639 -3.696 8.597 1.00 10.00 C ATOM 463 OH TYR A 29 6.824 -4.608 9.230 1.00 10.00 O ATOM 0 H TYR A 29 8.533 0.832 5.815 1.00 10.00 H new ATOM 0 HA TYR A 29 9.997 0.503 8.272 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.926 -0.833 5.564 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.214 -1.204 6.693 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.461 -0.989 6.613 1.00 10.00 H new ATOM 0 HD2 TYR A 29 10.895 -2.954 8.194 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.008 -2.617 7.743 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.444 -4.579 9.324 1.00 10.00 H new ATOM 0 HH TYR A 29 7.375 -5.253 9.721 1.00 10.00 H new ATOM 473 N GLY A 30 11.208 2.337 5.995 1.00 10.00 N ATOM 474 CA GLY A 30 12.324 3.156 5.581 1.00 10.00 C ATOM 475 C GLY A 30 12.333 3.344 4.084 1.00 10.00 C ATOM 476 O GLY A 30 11.657 4.226 3.561 1.00 10.00 O ATOM 0 H GLY A 30 10.314 2.598 5.579 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.268 4.127 6.072 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.258 2.691 5.898 1.00 10.00 H new ATOM 480 N LYS A 31 13.082 2.496 3.393 1.00 10.00 N ATOM 481 CA LYS A 31 13.170 2.562 1.938 1.00 10.00 C ATOM 482 C LYS A 31 12.016 1.784 1.320 1.00 10.00 C ATOM 483 O LYS A 31 11.697 1.933 0.138 1.00 10.00 O ATOM 484 CB LYS A 31 14.511 2.000 1.451 1.00 10.00 C ATOM 485 CG LYS A 31 15.730 2.629 2.117 1.00 10.00 C ATOM 486 CD LYS A 31 15.741 4.145 1.963 1.00 10.00 C ATOM 487 CE LYS A 31 15.391 4.842 3.269 1.00 10.00 C ATOM 488 NZ LYS A 31 14.724 6.149 3.045 1.00 10.00 N ATOM 0 H LYS A 31 13.639 1.753 3.816 1.00 10.00 H new ATOM 0 HA LYS A 31 13.106 3.605 1.629 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.528 0.925 1.629 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.584 2.146 0.373 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.739 2.371 3.176 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.638 2.213 1.680 1.00 10.00 H new ATOM 0 HD2 LYS A 31 16.726 4.470 1.629 1.00 10.00 H new ATOM 0 HD3 LYS A 31 15.029 4.438 1.191 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.738 4.199 3.859 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.299 4.995 3.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.114 6.371 3.858 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 15.444 6.892 2.938 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 14.146 6.100 2.182 1.00 10.00 H new ATOM 502 N LEU A 32 11.398 0.949 2.140 1.00 10.00 N ATOM 503 CA LEU A 32 10.272 0.138 1.719 1.00 10.00 C ATOM 504 C LEU A 32 9.063 0.432 2.601 1.00 10.00 C ATOM 505 O LEU A 32 9.172 0.466 3.828 1.00 10.00 O ATOM 506 CB LEU A 32 10.629 -1.353 1.784 1.00 10.00 C ATOM 507 CG LEU A 32 11.459 -1.887 0.611 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.791 -3.354 0.823 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.719 -1.684 -0.705 1.00 10.00 C ATOM 0 H LEU A 32 11.664 0.816 3.116 1.00 10.00 H new ATOM 0 HA LEU A 32 10.027 0.387 0.687 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.178 -1.537 2.708 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.704 -1.927 1.843 1.00 10.00 H new ATOM 0 HG LEU A 32 12.393 -1.328 0.564 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.381 -3.719 -0.018 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.363 -3.468 1.744 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.868 -3.929 0.896 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.324 -2.069 -1.526 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.768 -2.216 -0.674 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.534 -0.621 -0.858 1.00 10.00 H new ATOM 521 N ILE A 33 7.927 0.667 1.974 1.00 10.00 N ATOM 522 CA ILE A 33 6.702 0.965 2.697 1.00 10.00 C ATOM 523 C ILE A 33 5.718 -0.189 2.566 1.00 10.00 C ATOM 524 O ILE A 33 5.335 -0.562 1.460 1.00 10.00 O ATOM 525 CB ILE A 33 6.041 2.259 2.173 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.090 3.367 2.015 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.930 2.707 3.113 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.572 4.606 1.317 1.00 10.00 C ATOM 0 H ILE A 33 7.825 0.658 0.959 1.00 10.00 H new ATOM 0 HA ILE A 33 6.965 1.107 3.745 1.00 10.00 H new ATOM 0 HB ILE A 33 5.604 2.054 1.196 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.461 3.646 3.001 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.938 2.974 1.455 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.475 3.620 2.729 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.174 1.925 3.181 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.345 2.897 4.103 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.372 5.343 1.243 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.228 4.343 0.317 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.743 5.025 1.888 1.00 10.00 H new ATOM 540 N HIS A 34 5.319 -0.750 3.697 1.00 10.00 N ATOM 541 CA HIS A 34 4.383 -1.866 3.707 1.00 10.00 C ATOM 542 C HIS A 34 3.067 -1.432 4.339 1.00 10.00 C ATOM 543 O HIS A 34 3.058 -0.741 5.360 1.00 10.00 O ATOM 544 CB HIS A 34 4.985 -3.051 4.469 1.00 10.00 C ATOM 545 CG HIS A 34 4.156 -4.297 4.412 1.00 10.00 C ATOM 546 ND1 HIS A 34 4.024 -5.090 3.293 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.410 -4.887 5.375 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.219 -6.109 3.603 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.818 -6.034 4.858 1.00 10.00 N ATOM 0 H HIS A 34 5.629 -0.451 4.622 1.00 10.00 H new ATOM 0 HA HIS A 34 4.189 -2.180 2.682 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.974 -3.266 4.063 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.123 -2.766 5.512 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.293 -4.524 6.385 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.933 -6.892 2.916 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.202 -6.683 5.347 1.00 10.00 H new ATOM 557 N PHE A 35 1.963 -1.827 3.735 1.00 10.00 N ATOM 558 CA PHE A 35 0.653 -1.456 4.242 1.00 10.00 C ATOM 559 C PHE A 35 -0.288 -2.654 4.297 1.00 10.00 C ATOM 560 O PHE A 35 -0.149 -3.605 3.527 1.00 10.00 O ATOM 561 CB PHE A 35 0.038 -0.351 3.375 1.00 10.00 C ATOM 562 CG PHE A 35 -0.026 -0.686 1.909 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.110 -1.380 1.387 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.998 -0.313 1.054 1.00 10.00 C ATOM 565 CE1 PHE A 35 -1.167 -1.692 0.042 1.00 10.00 C ATOM 566 CE2 PHE A 35 0.944 -0.622 -0.290 1.00 10.00 C ATOM 567 CZ PHE A 35 -0.140 -1.314 -0.796 1.00 10.00 C ATOM 0 H PHE A 35 1.945 -2.404 2.894 1.00 10.00 H new ATOM 0 HA PHE A 35 0.788 -1.085 5.258 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.970 -0.141 3.733 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.619 0.563 3.503 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -1.917 -1.679 2.039 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.849 0.226 1.444 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -2.015 -2.232 -0.352 1.00 10.00 H new ATOM 0 HE2 PHE A 35 1.748 -0.323 -0.946 1.00 10.00 H new ATOM 0 HZ PHE A 35 -0.182 -1.558 -1.847 1.00 10.00 H new ATOM 577 N LEU A 36 -1.238 -2.591 5.217 1.00 10.00 N ATOM 578 CA LEU A 36 -2.236 -3.636 5.389 1.00 10.00 C ATOM 579 C LEU A 36 -3.598 -3.084 4.992 1.00 10.00 C ATOM 580 O LEU A 36 -3.960 -1.983 5.405 1.00 10.00 O ATOM 581 CB LEU A 36 -2.272 -4.102 6.851 1.00 10.00 C ATOM 582 CG LEU A 36 -1.802 -5.536 7.111 1.00 10.00 C ATOM 583 CD1 LEU A 36 -2.743 -6.537 6.461 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.378 -5.735 6.613 1.00 10.00 C ATOM 0 H LEU A 36 -1.339 -1.812 5.867 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.981 -4.489 4.760 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -1.655 -3.426 7.442 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.294 -4.004 7.218 1.00 10.00 H new ATOM 0 HG LEU A 36 -1.813 -5.707 8.187 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -2.390 -7.549 6.658 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -3.745 -6.415 6.873 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -2.770 -6.365 5.385 1.00 10.00 H new ATOM 0 HD21 LEU A 36 -0.064 -6.761 6.808 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -0.337 -5.540 5.541 1.00 10.00 H new ATOM 0 HD23 LEU A 36 0.289 -5.047 7.133 1.00 10.00 H new ATOM 596 N TYR A 37 -4.348 -3.822 4.190 1.00 10.00 N ATOM 597 CA TYR A 37 -5.661 -3.357 3.759 1.00 10.00 C ATOM 598 C TYR A 37 -6.695 -4.469 3.849 1.00 10.00 C ATOM 599 O TYR A 37 -6.363 -5.648 3.745 1.00 10.00 O ATOM 600 CB TYR A 37 -5.602 -2.786 2.331 1.00 10.00 C ATOM 601 CG TYR A 37 -5.295 -3.801 1.248 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.313 -4.510 0.622 1.00 10.00 C ATOM 603 CD2 TYR A 37 -3.987 -4.042 0.845 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.039 -5.428 -0.371 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.703 -4.958 -0.150 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.734 -5.650 -0.755 1.00 10.00 C ATOM 607 OH TYR A 37 -4.454 -6.568 -1.745 1.00 10.00 O ATOM 0 H TYR A 37 -4.077 -4.736 3.826 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.966 -2.557 4.434 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.558 -2.314 2.105 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.844 -2.003 2.300 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.337 -4.339 0.918 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.178 -3.504 1.318 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.844 -5.970 -0.845 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.681 -5.132 -0.453 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.540 -6.904 -1.631 1.00 10.00 H new ATOM 617 N ASP A 38 -7.945 -4.086 4.060 1.00 10.00 N ATOM 618 CA ASP A 38 -9.039 -5.042 4.163 1.00 10.00 C ATOM 619 C ASP A 38 -9.376 -5.607 2.793 1.00 10.00 C ATOM 620 O ASP A 38 -9.616 -4.858 1.846 1.00 10.00 O ATOM 621 CB ASP A 38 -10.279 -4.378 4.770 1.00 10.00 C ATOM 622 CG ASP A 38 -11.559 -5.137 4.464 1.00 10.00 C ATOM 623 OD1 ASP A 38 -11.693 -6.292 4.915 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.441 -4.573 3.778 1.00 10.00 O ATOM 0 H ASP A 38 -8.229 -3.112 4.164 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.722 -5.855 4.815 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -10.155 -4.304 5.850 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.365 -3.360 4.389 1.00 10.00 H new ATOM 629 N LEU A 39 -9.381 -6.926 2.686 1.00 10.00 N ATOM 630 CA LEU A 39 -9.693 -7.581 1.428 1.00 10.00 C ATOM 631 C LEU A 39 -11.139 -8.061 1.428 1.00 10.00 C ATOM 632 O LEU A 39 -11.920 -7.706 0.542 1.00 10.00 O ATOM 633 CB LEU A 39 -8.736 -8.749 1.178 1.00 10.00 C ATOM 634 CG LEU A 39 -8.292 -8.923 -0.276 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.057 -9.799 -0.346 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.411 -9.514 -1.119 1.00 10.00 C ATOM 0 H LEU A 39 -9.173 -7.563 3.455 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.568 -6.860 0.620 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.850 -8.612 1.798 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.217 -9.670 1.508 1.00 10.00 H new ATOM 0 HG LEU A 39 -8.048 -7.940 -0.679 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -6.752 -9.915 -1.386 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.249 -9.335 0.220 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.281 -10.778 0.078 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -9.070 -9.628 -2.148 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.691 -10.489 -0.720 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.275 -8.850 -1.094 1.00 10.00 H new ATOM 648 N GLY A 40 -11.495 -8.862 2.421 1.00 10.00 N ATOM 649 CA GLY A 40 -12.853 -9.359 2.515 1.00 10.00 C ATOM 650 C GLY A 40 -12.919 -10.861 2.686 1.00 10.00 C ATOM 651 O GLY A 40 -12.013 -11.586 2.266 1.00 10.00 O ATOM 0 H GLY A 40 -10.869 -9.177 3.163 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.352 -8.880 3.357 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.401 -9.076 1.616 1.00 10.00 H new ATOM 655 N GLY A 41 -13.991 -11.327 3.314 1.00 10.00 N ATOM 656 CA GLY A 41 -14.172 -12.749 3.527 1.00 10.00 C ATOM 657 C GLY A 41 -13.491 -13.237 4.792 1.00 10.00 C ATOM 658 O GLY A 41 -13.622 -14.404 5.165 1.00 10.00 O ATOM 0 H GLY A 41 -14.741 -10.742 3.681 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.237 -12.972 3.582 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.776 -13.295 2.671 1.00 10.00 H new ATOM 662 N GLY A 42 -12.778 -12.342 5.458 1.00 10.00 N ATOM 663 CA GLY A 42 -12.080 -12.698 6.675 1.00 10.00 C ATOM 664 C GLY A 42 -10.608 -12.369 6.598 1.00 10.00 C ATOM 665 O GLY A 42 -10.035 -11.839 7.549 1.00 10.00 O ATOM 0 H GLY A 42 -12.670 -11.368 5.174 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.526 -12.169 7.517 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.204 -13.764 6.866 1.00 10.00 H new ATOM 669 N LYS A 43 -9.995 -12.668 5.458 1.00 10.00 N ATOM 670 CA LYS A 43 -8.579 -12.396 5.273 1.00 10.00 C ATOM 671 C LYS A 43 -8.372 -11.003 4.695 1.00 10.00 C ATOM 672 O LYS A 43 -9.244 -10.462 4.008 1.00 10.00 O ATOM 673 CB LYS A 43 -7.911 -13.452 4.378 1.00 10.00 C ATOM 674 CG LYS A 43 -8.602 -13.690 3.037 1.00 10.00 C ATOM 675 CD LYS A 43 -9.234 -15.074 2.977 1.00 10.00 C ATOM 676 CE LYS A 43 -8.281 -16.121 2.402 1.00 10.00 C ATOM 677 NZ LYS A 43 -6.975 -16.172 3.121 1.00 10.00 N ATOM 0 H LYS A 43 -10.455 -13.096 4.654 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.105 -12.444 6.253 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -6.881 -13.149 4.190 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -7.871 -14.396 4.922 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.369 -12.931 2.881 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -7.878 -13.583 2.229 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.540 -15.375 3.979 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.136 -15.033 2.367 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -8.755 -17.102 2.449 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.102 -15.904 1.349 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -6.402 -16.954 2.745 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.468 -15.274 2.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -7.143 -16.323 4.136 1.00 10.00 H new ATOM 691 N ALA A 44 -7.216 -10.431 4.979 1.00 10.00 N ATOM 692 CA ALA A 44 -6.883 -9.105 4.504 1.00 10.00 C ATOM 693 C ALA A 44 -5.716 -9.172 3.528 1.00 10.00 C ATOM 694 O ALA A 44 -5.091 -10.221 3.370 1.00 10.00 O ATOM 695 CB ALA A 44 -6.542 -8.201 5.676 1.00 10.00 C ATOM 0 H ALA A 44 -6.488 -10.871 5.542 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.746 -8.691 3.983 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.293 -7.206 5.308 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.399 -8.136 6.347 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.689 -8.612 6.216 1.00 10.00 H new ATOM 701 N GLY A 45 -5.418 -8.052 2.894 1.00 10.00 N ATOM 702 CA GLY A 45 -4.331 -8.005 1.945 1.00 10.00 C ATOM 703 C GLY A 45 -3.190 -7.157 2.453 1.00 10.00 C ATOM 704 O GLY A 45 -3.373 -6.344 3.357 1.00 10.00 O ATOM 0 H GLY A 45 -5.913 -7.169 3.021 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.975 -9.016 1.748 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.691 -7.603 0.998 1.00 10.00 H new ATOM 708 N MET A 46 -2.022 -7.328 1.862 1.00 10.00 N ATOM 709 CA MET A 46 -0.843 -6.577 2.270 1.00 10.00 C ATOM 710 C MET A 46 0.022 -6.285 1.058 1.00 10.00 C ATOM 711 O MET A 46 0.121 -7.110 0.155 1.00 10.00 O ATOM 712 CB MET A 46 -0.043 -7.351 3.328 1.00 10.00 C ATOM 713 CG MET A 46 0.638 -8.604 2.798 1.00 10.00 C ATOM 714 SD MET A 46 1.661 -9.421 4.042 1.00 10.00 S ATOM 715 CE MET A 46 2.540 -10.602 3.021 1.00 10.00 C ATOM 0 H MET A 46 -1.861 -7.982 1.096 1.00 10.00 H new ATOM 0 HA MET A 46 -1.163 -5.635 2.714 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.714 -6.690 3.751 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.712 -7.631 4.141 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.120 -9.302 2.442 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.257 -8.341 1.940 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.303 -11.101 3.618 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.839 -11.342 2.635 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.013 -10.082 2.188 1.00 10.00 H new ATOM 725 N GLY A 47 0.637 -5.118 1.032 1.00 10.00 N ATOM 726 CA GLY A 47 1.475 -4.760 -0.092 1.00 10.00 C ATOM 727 C GLY A 47 2.647 -3.897 0.315 1.00 10.00 C ATOM 728 O GLY A 47 2.555 -3.128 1.277 1.00 10.00 O ATOM 0 H GLY A 47 0.573 -4.412 1.766 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.844 -5.667 -0.570 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.877 -4.230 -0.833 1.00 10.00 H new ATOM 732 N MET A 48 3.756 -4.045 -0.388 1.00 10.00 N ATOM 733 CA MET A 48 4.953 -3.270 -0.108 1.00 10.00 C ATOM 734 C MET A 48 5.416 -2.523 -1.355 1.00 10.00 C ATOM 735 O MET A 48 5.562 -3.110 -2.426 1.00 10.00 O ATOM 736 CB MET A 48 6.064 -4.190 0.399 1.00 10.00 C ATOM 737 CG MET A 48 7.179 -3.462 1.127 1.00 10.00 C ATOM 738 SD MET A 48 8.198 -4.572 2.118 1.00 10.00 S ATOM 739 CE MET A 48 8.853 -5.667 0.858 1.00 10.00 C ATOM 0 H MET A 48 3.853 -4.700 -1.163 1.00 10.00 H new ATOM 0 HA MET A 48 4.718 -2.536 0.663 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.630 -4.933 1.068 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.488 -4.732 -0.446 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.808 -2.948 0.400 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.748 -2.697 1.772 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.871 -5.955 1.120 1.00 10.00 H new ATOM 0 HE2 MET A 48 8.229 -6.558 0.791 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.857 -5.154 -0.104 1.00 10.00 H new ATOM 749 N VAL A 49 5.641 -1.226 -1.205 1.00 10.00 N ATOM 750 CA VAL A 49 6.084 -0.388 -2.307 1.00 10.00 C ATOM 751 C VAL A 49 7.300 0.439 -1.879 1.00 10.00 C ATOM 752 O VAL A 49 7.495 0.691 -0.691 1.00 10.00 O ATOM 753 CB VAL A 49 4.939 0.540 -2.787 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.571 1.563 -1.719 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.298 1.233 -4.095 1.00 10.00 C ATOM 0 H VAL A 49 5.522 -0.729 -0.322 1.00 10.00 H new ATOM 0 HA VAL A 49 6.369 -1.031 -3.140 1.00 10.00 H new ATOM 0 HB VAL A 49 4.067 -0.088 -2.968 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.765 2.199 -2.086 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.243 1.046 -0.817 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.441 2.177 -1.488 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.474 1.876 -4.404 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.195 1.835 -3.953 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.482 0.484 -4.865 1.00 10.00 H new ATOM 765 N SER A 50 8.127 0.834 -2.834 1.00 10.00 N ATOM 766 CA SER A 50 9.311 1.620 -2.527 1.00 10.00 C ATOM 767 C SER A 50 9.004 3.112 -2.620 1.00 10.00 C ATOM 768 O SER A 50 7.979 3.509 -3.183 1.00 10.00 O ATOM 769 CB SER A 50 10.439 1.266 -3.498 1.00 10.00 C ATOM 770 OG SER A 50 10.199 1.838 -4.774 1.00 10.00 O ATOM 0 H SER A 50 8.001 0.624 -3.824 1.00 10.00 H new ATOM 0 HA SER A 50 9.623 1.389 -1.509 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.390 1.626 -3.105 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.521 0.183 -3.589 1.00 10.00 H new ATOM 0 HG SER A 50 9.860 1.149 -5.383 1.00 10.00 H new ATOM 776 N GLU A 51 9.899 3.936 -2.085 1.00 10.00 N ATOM 777 CA GLU A 51 9.725 5.385 -2.128 1.00 10.00 C ATOM 778 C GLU A 51 9.948 5.907 -3.542 1.00 10.00 C ATOM 779 O GLU A 51 9.593 7.039 -3.864 1.00 10.00 O ATOM 780 CB GLU A 51 10.704 6.080 -1.185 1.00 10.00 C ATOM 781 CG GLU A 51 10.751 5.495 0.215 1.00 10.00 C ATOM 782 CD GLU A 51 11.775 6.191 1.083 1.00 10.00 C ATOM 783 OE1 GLU A 51 12.954 5.773 1.075 1.00 10.00 O ATOM 784 OE2 GLU A 51 11.412 7.173 1.755 1.00 10.00 O ATOM 0 H GLU A 51 10.751 3.627 -1.617 1.00 10.00 H new ATOM 0 HA GLU A 51 8.705 5.604 -1.812 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.703 6.033 -1.619 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.436 7.134 -1.116 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.767 5.578 0.677 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.987 4.432 0.157 1.00 10.00 H new ATOM 791 N LYS A 52 10.550 5.075 -4.377 1.00 10.00 N ATOM 792 CA LYS A 52 10.832 5.437 -5.756 1.00 10.00 C ATOM 793 C LYS A 52 9.614 5.181 -6.631 1.00 10.00 C ATOM 794 O LYS A 52 9.342 5.919 -7.580 1.00 10.00 O ATOM 795 CB LYS A 52 12.017 4.626 -6.284 1.00 10.00 C ATOM 796 CG LYS A 52 13.304 4.833 -5.501 1.00 10.00 C ATOM 797 CD LYS A 52 14.422 3.973 -6.063 1.00 10.00 C ATOM 798 CE LYS A 52 15.739 4.215 -5.343 1.00 10.00 C ATOM 799 NZ LYS A 52 16.808 3.300 -5.816 1.00 10.00 N ATOM 0 H LYS A 52 10.855 4.136 -4.120 1.00 10.00 H new ATOM 0 HA LYS A 52 11.079 6.498 -5.788 1.00 10.00 H new ATOM 0 HB2 LYS A 52 11.758 3.567 -6.264 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.191 4.892 -7.327 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.593 5.883 -5.539 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.141 4.585 -4.452 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.149 2.921 -5.977 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.544 4.185 -7.125 1.00 10.00 H new ATOM 0 HE2 LYS A 52 16.052 5.248 -5.497 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.596 4.082 -4.271 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.689 3.499 -5.300 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.522 2.315 -5.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 16.964 3.445 -6.834 1.00 10.00 H new ATOM 813 N ASP A 53 8.882 4.126 -6.303 1.00 10.00 N ATOM 814 CA ASP A 53 7.693 3.757 -7.059 1.00 10.00 C ATOM 815 C ASP A 53 6.477 4.541 -6.582 1.00 10.00 C ATOM 816 O ASP A 53 5.602 4.888 -7.379 1.00 10.00 O ATOM 817 CB ASP A 53 7.423 2.256 -6.933 1.00 10.00 C ATOM 818 CG ASP A 53 8.511 1.407 -7.560 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.799 1.586 -8.766 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.084 0.554 -6.848 1.00 10.00 O ATOM 0 H ASP A 53 9.091 3.510 -5.518 1.00 10.00 H new ATOM 0 HA ASP A 53 7.874 4.001 -8.106 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.328 1.996 -5.879 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.469 2.022 -7.406 1.00 10.00 H new ATOM 825 N ALA A 54 6.430 4.816 -5.284 1.00 10.00 N ATOM 826 CA ALA A 54 5.323 5.553 -4.691 1.00 10.00 C ATOM 827 C ALA A 54 5.493 7.056 -4.893 1.00 10.00 C ATOM 828 O ALA A 54 6.415 7.663 -4.341 1.00 10.00 O ATOM 829 CB ALA A 54 5.211 5.229 -3.207 1.00 10.00 C ATOM 0 H ALA A 54 7.151 4.537 -4.619 1.00 10.00 H new ATOM 0 HA ALA A 54 4.404 5.247 -5.191 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.380 5.786 -2.775 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.037 4.161 -3.080 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.136 5.508 -2.703 1.00 10.00 H new ATOM 835 N PRO A 55 4.611 7.677 -5.693 1.00 10.00 N ATOM 836 CA PRO A 55 4.663 9.115 -5.955 1.00 10.00 C ATOM 837 C PRO A 55 4.316 9.925 -4.710 1.00 10.00 C ATOM 838 O PRO A 55 3.523 9.480 -3.877 1.00 10.00 O ATOM 839 CB PRO A 55 3.602 9.334 -7.043 1.00 10.00 C ATOM 840 CG PRO A 55 3.226 7.977 -7.532 1.00 10.00 C ATOM 841 CD PRO A 55 3.497 7.032 -6.399 1.00 10.00 C ATOM 0 HA PRO A 55 5.660 9.438 -6.255 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.735 9.858 -6.642 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.996 9.945 -7.855 1.00 10.00 H new ATOM 0 HG2 PRO A 55 2.176 7.945 -7.822 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.808 7.706 -8.413 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.626 6.913 -5.755 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.767 6.039 -6.757 1.00 10.00 H new ATOM 849 N LYS A 56 4.895 11.120 -4.592 1.00 10.00 N ATOM 850 CA LYS A 56 4.652 11.990 -3.443 1.00 10.00 C ATOM 851 C LYS A 56 3.172 12.332 -3.308 1.00 10.00 C ATOM 852 O LYS A 56 2.683 12.577 -2.204 1.00 10.00 O ATOM 853 CB LYS A 56 5.475 13.275 -3.553 1.00 10.00 C ATOM 854 CG LYS A 56 6.965 13.072 -3.320 1.00 10.00 C ATOM 855 CD LYS A 56 7.702 14.399 -3.318 1.00 10.00 C ATOM 856 CE LYS A 56 9.177 14.228 -2.983 1.00 10.00 C ATOM 857 NZ LYS A 56 9.859 15.539 -2.800 1.00 10.00 N ATOM 0 H LYS A 56 5.538 11.508 -5.282 1.00 10.00 H new ATOM 0 HA LYS A 56 4.961 11.446 -2.550 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.327 13.706 -4.543 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.099 13.999 -2.830 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.122 12.564 -2.369 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.373 12.426 -4.097 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.604 14.870 -4.296 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.240 15.070 -2.593 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.277 13.636 -2.073 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.669 13.671 -3.781 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.861 15.380 -2.573 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.786 16.094 -3.677 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.406 16.060 -2.022 1.00 10.00 H new ATOM 871 N GLU A 57 2.469 12.345 -4.437 1.00 10.00 N ATOM 872 CA GLU A 57 1.044 12.645 -4.457 1.00 10.00 C ATOM 873 C GLU A 57 0.268 11.639 -3.610 1.00 10.00 C ATOM 874 O GLU A 57 -0.579 12.008 -2.796 1.00 10.00 O ATOM 875 CB GLU A 57 0.525 12.608 -5.895 1.00 10.00 C ATOM 876 CG GLU A 57 -0.880 13.161 -6.051 1.00 10.00 C ATOM 877 CD GLU A 57 -0.895 14.659 -6.265 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.589 15.123 -7.197 1.00 10.00 O ATOM 879 OE2 GLU A 57 -0.209 15.381 -5.507 1.00 10.00 O ATOM 0 H GLU A 57 2.868 12.150 -5.355 1.00 10.00 H new ATOM 0 HA GLU A 57 0.897 13.641 -4.040 1.00 10.00 H new ATOM 0 HB2 GLU A 57 1.203 13.177 -6.531 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.542 11.578 -6.252 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.367 12.672 -6.895 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.463 12.919 -5.162 1.00 10.00 H new ATOM 886 N LEU A 58 0.581 10.365 -3.801 1.00 10.00 N ATOM 887 CA LEU A 58 -0.087 9.296 -3.075 1.00 10.00 C ATOM 888 C LEU A 58 0.583 9.059 -1.729 1.00 10.00 C ATOM 889 O LEU A 58 -0.049 8.592 -0.782 1.00 10.00 O ATOM 890 CB LEU A 58 -0.080 8.020 -3.914 1.00 10.00 C ATOM 891 CG LEU A 58 -0.659 8.178 -5.325 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.495 6.895 -6.124 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.126 8.586 -5.264 1.00 10.00 C ATOM 0 H LEU A 58 1.296 10.047 -4.455 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.120 9.589 -2.887 1.00 10.00 H new ATOM 0 HB2 LEU A 58 0.946 7.660 -3.995 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.646 7.252 -3.387 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.104 8.968 -5.831 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.913 7.031 -7.121 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.564 6.650 -6.205 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.018 6.083 -5.619 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.516 8.692 -6.276 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.695 7.822 -4.734 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.218 9.536 -4.738 1.00 10.00 H new ATOM 905 N LEU A 59 1.865 9.395 -1.649 1.00 10.00 N ATOM 906 CA LEU A 59 2.630 9.237 -0.415 1.00 10.00 C ATOM 907 C LEU A 59 2.018 10.075 0.698 1.00 10.00 C ATOM 908 O LEU A 59 1.995 9.668 1.859 1.00 10.00 O ATOM 909 CB LEU A 59 4.087 9.650 -0.632 1.00 10.00 C ATOM 910 CG LEU A 59 5.013 9.452 0.573 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.245 7.972 0.828 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.335 10.172 0.353 1.00 10.00 C ATOM 0 H LEU A 59 2.400 9.780 -2.427 1.00 10.00 H new ATOM 0 HA LEU A 59 2.600 8.186 -0.126 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.486 9.083 -1.473 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.110 10.702 -0.918 1.00 10.00 H new ATOM 0 HG LEU A 59 4.532 9.880 1.452 1.00 10.00 H new ATOM 0 HD11 LEU A 59 5.905 7.850 1.687 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.292 7.484 1.030 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.705 7.519 -0.050 1.00 10.00 H new ATOM 0 HD21 LEU A 59 6.980 10.021 1.218 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.822 9.774 -0.537 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.151 11.238 0.220 1.00 10.00 H new ATOM 924 N GLN A 60 1.504 11.246 0.325 1.00 10.00 N ATOM 925 CA GLN A 60 0.882 12.155 1.280 1.00 10.00 C ATOM 926 C GLN A 60 -0.345 11.506 1.914 1.00 10.00 C ATOM 927 O GLN A 60 -0.706 11.806 3.051 1.00 10.00 O ATOM 928 CB GLN A 60 0.494 13.473 0.596 1.00 10.00 C ATOM 929 CG GLN A 60 0.269 14.613 1.575 1.00 10.00 C ATOM 930 CD GLN A 60 1.491 14.903 2.428 1.00 10.00 C ATOM 931 OE1 GLN A 60 1.379 15.143 3.628 1.00 10.00 O ATOM 932 NE2 GLN A 60 2.664 14.893 1.816 1.00 10.00 N ATOM 0 H GLN A 60 1.507 11.586 -0.637 1.00 10.00 H new ATOM 0 HA GLN A 60 1.605 12.373 2.066 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.279 13.755 -0.106 1.00 10.00 H new ATOM 0 HB3 GLN A 60 -0.414 13.319 0.013 1.00 10.00 H new ATOM 0 HG2 GLN A 60 -0.005 15.512 1.023 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.572 14.369 2.224 1.00 10.00 H new ATOM 0 HE21 GLN A 60 2.717 14.689 0.818 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.515 15.089 2.342 1.00 10.00 H new ATOM 941 N MET A 61 -0.976 10.603 1.171 1.00 10.00 N ATOM 942 CA MET A 61 -2.152 9.901 1.660 1.00 10.00 C ATOM 943 C MET A 61 -1.725 8.753 2.563 1.00 10.00 C ATOM 944 O MET A 61 -2.367 8.470 3.576 1.00 10.00 O ATOM 945 CB MET A 61 -2.989 9.379 0.489 1.00 10.00 C ATOM 946 CG MET A 61 -3.467 10.477 -0.444 1.00 10.00 C ATOM 947 SD MET A 61 -4.195 9.834 -1.966 1.00 10.00 S ATOM 948 CE MET A 61 -5.690 9.083 -1.327 1.00 10.00 C ATOM 0 H MET A 61 -0.691 10.341 0.227 1.00 10.00 H new ATOM 0 HA MET A 61 -2.766 10.594 2.235 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.398 8.661 -0.079 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.853 8.842 0.880 1.00 10.00 H new ATOM 0 HG2 MET A 61 -4.203 11.092 0.074 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.628 11.126 -0.694 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.313 8.749 -2.157 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.430 8.229 -0.702 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.239 9.813 -0.732 1.00 10.00 H new ATOM 958 N LEU A 62 -0.617 8.114 2.196 1.00 10.00 N ATOM 959 CA LEU A 62 -0.069 7.002 2.967 1.00 10.00 C ATOM 960 C LEU A 62 0.342 7.462 4.359 1.00 10.00 C ATOM 961 O LEU A 62 0.226 6.718 5.331 1.00 10.00 O ATOM 962 CB LEU A 62 1.145 6.402 2.249 1.00 10.00 C ATOM 963 CG LEU A 62 0.825 5.475 1.074 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.095 5.110 0.321 1.00 10.00 C ATOM 965 CD2 LEU A 62 0.118 4.216 1.561 1.00 10.00 C ATOM 0 H LEU A 62 -0.078 8.350 1.363 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.845 6.242 3.060 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.770 7.218 1.886 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.737 5.847 2.976 1.00 10.00 H new ATOM 0 HG LEU A 62 0.158 6.004 0.393 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.848 4.450 -0.511 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.564 6.016 -0.061 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.784 4.601 0.995 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.101 3.570 0.711 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.761 3.686 2.263 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -0.813 4.490 2.057 1.00 10.00 H new ATOM 977 N GLU A 63 0.822 8.696 4.444 1.00 10.00 N ATOM 978 CA GLU A 63 1.250 9.269 5.715 1.00 10.00 C ATOM 979 C GLU A 63 0.062 9.478 6.650 1.00 10.00 C ATOM 980 O GLU A 63 0.208 9.438 7.870 1.00 10.00 O ATOM 981 CB GLU A 63 1.965 10.598 5.476 1.00 10.00 C ATOM 982 CG GLU A 63 3.285 10.458 4.737 1.00 10.00 C ATOM 983 CD GLU A 63 4.360 9.786 5.568 1.00 10.00 C ATOM 984 OE1 GLU A 63 5.241 10.495 6.097 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.342 8.546 5.694 1.00 10.00 O ATOM 0 H GLU A 63 0.925 9.322 3.645 1.00 10.00 H new ATOM 0 HA GLU A 63 1.939 8.569 6.188 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.308 11.256 4.907 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.146 11.081 6.436 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.125 9.883 3.825 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.632 11.446 4.434 1.00 10.00 H new ATOM 992 N LYS A 64 -1.116 9.680 6.071 1.00 10.00 N ATOM 993 CA LYS A 64 -2.323 9.898 6.859 1.00 10.00 C ATOM 994 C LYS A 64 -2.828 8.586 7.445 1.00 10.00 C ATOM 995 O LYS A 64 -3.493 8.569 8.482 1.00 10.00 O ATOM 996 CB LYS A 64 -3.410 10.553 6.002 1.00 10.00 C ATOM 997 CG LYS A 64 -3.000 11.908 5.448 1.00 10.00 C ATOM 998 CD LYS A 64 -4.128 12.583 4.680 1.00 10.00 C ATOM 999 CE LYS A 64 -3.677 13.913 4.100 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.795 14.657 3.457 1.00 10.00 N ATOM 0 H LYS A 64 -1.261 9.697 5.061 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.077 10.569 7.682 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.660 9.890 5.174 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.314 10.670 6.600 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.685 12.553 6.268 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.139 11.784 4.791 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.467 11.929 3.877 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.979 12.742 5.343 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.245 14.524 4.892 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.890 13.739 3.366 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.439 15.557 3.076 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.192 14.087 2.683 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.536 14.848 4.162 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.502 7.484 6.782 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.918 6.168 7.242 1.00 10.00 C ATOM 1016 C GLN A 65 -1.765 5.456 7.943 1.00 10.00 C ATOM 1017 O GLN A 65 -1.870 4.282 8.314 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.429 5.327 6.070 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.850 5.675 5.647 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.859 5.419 6.751 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.130 6.289 7.576 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.424 4.221 6.774 1.00 10.00 N ATOM 0 H GLN A 65 -1.951 7.477 5.924 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.731 6.296 7.957 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.762 5.461 5.219 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.388 4.273 6.344 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.893 6.724 5.355 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -5.119 5.088 4.769 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.173 3.525 6.072 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.110 3.994 7.494 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.663 6.172 8.117 1.00 10.00 N ATOM 1032 CA LYS A 66 0.506 5.625 8.785 1.00 10.00 C ATOM 1033 C LYS A 66 0.236 5.535 10.280 1.00 10.00 C ATOM 1034 O LYS A 66 0.100 6.553 10.962 1.00 10.00 O ATOM 1035 CB LYS A 66 1.738 6.492 8.509 1.00 10.00 C ATOM 1036 CG LYS A 66 3.053 5.849 8.922 1.00 10.00 C ATOM 1037 CD LYS A 66 4.252 6.616 8.384 1.00 10.00 C ATOM 1038 CE LYS A 66 4.370 7.990 9.020 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.449 8.795 8.393 1.00 10.00 N ATOM 0 H LYS A 66 -0.556 7.136 7.803 1.00 10.00 H new ATOM 0 HA LYS A 66 0.707 4.626 8.398 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.777 6.722 7.444 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.628 7.440 9.036 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.109 5.803 10.010 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.085 4.822 8.558 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.163 6.048 8.573 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.161 6.722 7.303 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.421 8.517 8.925 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.570 7.882 10.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 6.148 9.061 9.115 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.914 8.234 7.651 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.041 9.655 7.973 1.00 10.00 H new ATOM 1053 N LYS A 67 0.145 4.312 10.778 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.139 4.078 12.185 1.00 10.00 C ATOM 1055 C LYS A 67 0.867 3.102 12.783 1.00 10.00 C ATOM 1056 O LYS A 67 1.192 2.081 12.168 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.558 3.524 12.345 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.621 4.340 11.628 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.915 3.557 11.495 1.00 10.00 C ATOM 1060 CE LYS A 67 -4.972 4.336 10.725 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.239 3.565 10.596 1.00 10.00 N ATOM 0 H LYS A 67 0.264 3.463 10.226 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.059 5.027 12.716 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.583 2.501 11.968 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.803 3.479 13.406 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.806 5.264 12.176 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.261 4.623 10.639 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.718 2.613 10.987 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.295 3.312 12.487 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.170 5.280 11.233 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.593 4.581 9.733 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.976 4.174 10.188 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.085 2.745 9.975 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.542 3.236 11.535 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.516 -13.141 -0.748 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.460 -12.552 -1.560 1.00 10.00 C ATOM 1107 C GLU B 6 0.851 -12.486 -0.787 1.00 10.00 C ATOM 1108 O GLU B 6 0.920 -11.907 0.299 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.865 -11.154 -2.042 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.624 -10.335 -1.005 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.327 -9.139 -1.611 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.705 -9.202 -2.803 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -2.516 -8.131 -0.902 1.00 10.00 O ATOM 0 HA GLU B 6 -0.311 -13.191 -2.431 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.032 -10.608 -2.335 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.483 -11.254 -2.934 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -2.358 -10.971 -0.511 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.930 -9.994 -0.237 1.00 10.00 H new ATOM 1120 N GLU B 7 1.882 -13.103 -1.341 1.00 10.00 N ATOM 1121 CA GLU B 7 3.195 -13.117 -0.714 1.00 10.00 C ATOM 1122 C GLU B 7 4.158 -12.203 -1.468 1.00 10.00 C ATOM 1123 O GLU B 7 4.082 -12.079 -2.693 1.00 10.00 O ATOM 1124 CB GLU B 7 3.746 -14.544 -0.668 1.00 10.00 C ATOM 1125 CG GLU B 7 2.865 -15.514 0.107 1.00 10.00 C ATOM 1126 CD GLU B 7 2.762 -15.164 1.579 1.00 10.00 C ATOM 1127 OE1 GLU B 7 1.634 -14.935 2.067 1.00 10.00 O ATOM 1128 OE2 GLU B 7 3.811 -15.118 2.257 1.00 10.00 O ATOM 0 H GLU B 7 1.835 -13.603 -2.229 1.00 10.00 H new ATOM 0 HA GLU B 7 3.094 -12.747 0.306 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.866 -14.911 -1.687 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.738 -14.527 -0.216 1.00 10.00 H new ATOM 0 HG2 GLU B 7 1.867 -15.521 -0.331 1.00 10.00 H new ATOM 0 HG3 GLU B 7 3.265 -16.523 0.005 1.00 10.00 H new ATOM 1135 N GLU B 8 5.063 -11.572 -0.734 1.00 10.00 N ATOM 1136 CA GLU B 8 6.039 -10.662 -1.325 1.00 10.00 C ATOM 1137 C GLU B 8 7.453 -11.116 -0.989 1.00 10.00 C ATOM 1138 O GLU B 8 7.652 -12.229 -0.495 1.00 10.00 O ATOM 1139 CB GLU B 8 5.812 -9.235 -0.814 1.00 10.00 C ATOM 1140 CG GLU B 8 4.346 -8.847 -0.717 1.00 10.00 C ATOM 1141 CD GLU B 8 4.150 -7.372 -0.448 1.00 10.00 C ATOM 1142 OE1 GLU B 8 3.688 -6.656 -1.363 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.461 -6.928 0.679 1.00 10.00 O ATOM 0 H GLU B 8 5.143 -11.673 0.278 1.00 10.00 H new ATOM 0 HA GLU B 8 5.913 -10.673 -2.408 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.271 -9.133 0.169 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.321 -8.536 -1.478 1.00 10.00 H new ATOM 0 HG2 GLU B 8 3.842 -9.113 -1.646 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.874 -9.423 0.079 1.00 10.00 H new ATOM 1150 N GLY B 9 8.431 -10.266 -1.262 1.00 10.00 N ATOM 1151 CA GLY B 9 9.800 -10.615 -0.962 1.00 10.00 C ATOM 1152 C GLY B 9 10.804 -9.634 -1.526 1.00 10.00 C ATOM 1153 O GLY B 9 11.172 -9.712 -2.699 1.00 10.00 O ATOM 0 H GLY B 9 8.301 -9.346 -1.683 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.925 -10.671 0.119 1.00 10.00 H new ATOM 0 HA3 GLY B 9 10.010 -11.608 -1.359 1.00 10.00 H new ATOM 1157 N GLU B 10 11.245 -8.708 -0.688 1.00 10.00 N ATOM 1158 CA GLU B 10 12.227 -7.715 -1.091 1.00 10.00 C ATOM 1159 C GLU B 10 13.409 -7.739 -0.133 1.00 10.00 C ATOM 1160 O GLU B 10 13.228 -7.827 1.083 1.00 10.00 O ATOM 1161 CB GLU B 10 11.613 -6.316 -1.106 1.00 10.00 C ATOM 1162 CG GLU B 10 11.974 -5.498 -2.333 1.00 10.00 C ATOM 1163 CD GLU B 10 11.582 -6.174 -3.630 1.00 10.00 C ATOM 1164 OE1 GLU B 10 12.480 -6.676 -4.335 1.00 10.00 O ATOM 1165 OE2 GLU B 10 10.378 -6.190 -3.955 1.00 10.00 O ATOM 0 H GLU B 10 10.936 -8.624 0.280 1.00 10.00 H new ATOM 0 HA GLU B 10 12.565 -7.958 -2.098 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.528 -6.406 -1.048 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.937 -5.778 -0.215 1.00 10.00 H new ATOM 0 HG2 GLU B 10 11.483 -4.527 -2.273 1.00 10.00 H new ATOM 0 HG3 GLU B 10 13.048 -5.313 -2.336 1.00 10.00 H new ATOM 1172 N GLU B 11 14.612 -7.674 -0.676 1.00 10.00 N ATOM 1173 CA GLU B 11 15.813 -7.681 0.142 1.00 10.00 C ATOM 1174 C GLU B 11 16.221 -6.253 0.477 1.00 10.00 C ATOM 1175 O GLU B 11 16.526 -5.462 -0.415 1.00 10.00 O ATOM 1176 CB GLU B 11 16.949 -8.406 -0.580 1.00 10.00 C ATOM 1177 CG GLU B 11 17.840 -9.210 0.354 1.00 10.00 C ATOM 1178 CD GLU B 11 17.049 -10.141 1.251 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.129 -9.994 2.490 1.00 10.00 O ATOM 1180 OE2 GLU B 11 16.341 -11.020 0.721 1.00 10.00 O ATOM 0 H GLU B 11 14.784 -7.616 -1.680 1.00 10.00 H new ATOM 0 HA GLU B 11 15.603 -8.214 1.069 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.526 -9.073 -1.331 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.558 -7.674 -1.111 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.547 -9.793 -0.236 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.425 -8.527 0.970 1.00 10.00 H new ATOM 1187 N TYR B 12 16.208 -5.928 1.763 1.00 10.00 N ATOM 1188 CA TYR B 12 16.566 -4.592 2.219 1.00 10.00 C ATOM 1189 C TYR B 12 18.039 -4.294 1.948 1.00 10.00 C ATOM 1190 O TYR B 12 18.370 -3.453 1.108 1.00 10.00 O ATOM 1191 CB TYR B 12 16.272 -4.449 3.712 1.00 10.00 C ATOM 1192 CG TYR B 12 15.671 -3.111 4.085 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.371 -1.928 3.872 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.405 -3.033 4.648 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.825 -0.705 4.212 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.850 -1.814 4.990 1.00 10.00 C ATOM 1197 CZ TYR B 12 14.564 -0.653 4.768 1.00 10.00 C ATOM 1198 OH TYR B 12 14.018 0.562 5.105 1.00 10.00 O ATOM 0 H TYR B 12 15.953 -6.573 2.510 1.00 10.00 H new ATOM 0 HA TYR B 12 15.964 -3.873 1.663 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.590 -5.242 4.017 1.00 10.00 H new ATOM 0 HB3 TYR B 12 17.197 -4.591 4.271 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.357 -1.966 3.434 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.844 -3.939 4.822 1.00 10.00 H new ATOM 0 HE1 TYR B 12 16.382 0.205 4.043 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.864 -1.770 5.428 1.00 10.00 H new ATOM 0 HH TYR B 12 13.616 0.504 5.997 1.00 10.00 H new