USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 76 GLN : amide:sc= 1.03 K(o=1.2,f=0.31) USER MOD Set 1.2: A 81 TYR OH : rot -91:sc= 0.136 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -163:sc= -1.61 (180deg=-2.66!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.3) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.056) USER MOD Single : A 67 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -2.89! C(o=-2.9!,f=-6.6!) USER MOD Single : A 78 SER OG : rot -99:sc= 1.17 USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 0.0014 (180deg=0.00136) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.0981 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.050 -5.461 -6.728 1.00 0.00 N ATOM 2 CA GLY A 1 8.856 -6.667 -6.803 1.00 0.00 C ATOM 3 C GLY A 1 8.981 -7.365 -5.463 1.00 0.00 C ATOM 4 O GLY A 1 10.012 -7.267 -4.800 1.00 0.00 O ATOM 0 H1 GLY A 1 7.995 -5.021 -7.669 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.092 -5.703 -6.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.485 -4.794 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.413 -7.352 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.850 -6.414 -7.171 1.00 0.00 H new ATOM 8 N SER A 2 7.927 -8.070 -5.064 1.00 0.00 N ATOM 9 CA SER A 2 7.922 -8.783 -3.792 1.00 0.00 C ATOM 10 C SER A 2 7.478 -10.231 -3.983 1.00 0.00 C ATOM 11 O SER A 2 6.740 -10.548 -4.916 1.00 0.00 O ATOM 12 CB SER A 2 6.999 -8.081 -2.794 1.00 0.00 C ATOM 13 OG SER A 2 7.700 -7.095 -2.058 1.00 0.00 O ATOM 0 H SER A 2 7.066 -8.163 -5.603 1.00 0.00 H new ATOM 0 HA SER A 2 8.938 -8.782 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.167 -7.619 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.572 -8.815 -2.110 1.00 0.00 H new ATOM 0 HG SER A 2 7.088 -6.660 -1.429 1.00 0.00 H new ATOM 19 N SER A 3 7.933 -11.104 -3.091 1.00 0.00 N ATOM 20 CA SER A 3 7.587 -12.519 -3.162 1.00 0.00 C ATOM 21 C SER A 3 7.889 -13.219 -1.840 1.00 0.00 C ATOM 22 O SER A 3 9.049 -13.393 -1.467 1.00 0.00 O ATOM 23 CB SER A 3 8.354 -13.198 -4.298 1.00 0.00 C ATOM 24 OG SER A 3 8.035 -14.576 -4.378 1.00 0.00 O ATOM 0 H SER A 3 8.542 -10.857 -2.311 1.00 0.00 H new ATOM 0 HA SER A 3 6.518 -12.596 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.115 -12.711 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.426 -13.078 -4.139 1.00 0.00 H new ATOM 0 HG SER A 3 8.537 -14.986 -5.113 1.00 0.00 H new ATOM 30 N GLY A 4 6.835 -13.619 -1.134 1.00 0.00 N ATOM 31 CA GLY A 4 7.007 -14.295 0.138 1.00 0.00 C ATOM 32 C GLY A 4 6.260 -13.608 1.264 1.00 0.00 C ATOM 33 O GLY A 4 6.870 -13.114 2.211 1.00 0.00 O ATOM 0 H GLY A 4 5.865 -13.487 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.659 -15.324 0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.068 -14.338 0.383 1.00 0.00 H new ATOM 37 N SER A 5 4.935 -13.578 1.161 1.00 0.00 N ATOM 38 CA SER A 5 4.104 -12.943 2.177 1.00 0.00 C ATOM 39 C SER A 5 2.859 -13.778 2.460 1.00 0.00 C ATOM 40 O SER A 5 2.427 -14.572 1.624 1.00 0.00 O ATOM 41 CB SER A 5 3.698 -11.537 1.728 1.00 0.00 C ATOM 42 OG SER A 5 2.813 -11.590 0.623 1.00 0.00 O ATOM 0 H SER A 5 4.414 -13.986 0.385 1.00 0.00 H new ATOM 0 HA SER A 5 4.687 -12.870 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.221 -11.011 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.587 -10.967 1.459 1.00 0.00 H new ATOM 0 HG SER A 5 2.567 -10.679 0.357 1.00 0.00 H new ATOM 48 N SER A 6 2.286 -13.592 3.645 1.00 0.00 N ATOM 49 CA SER A 6 1.092 -14.330 4.041 1.00 0.00 C ATOM 50 C SER A 6 -0.158 -13.714 3.422 1.00 0.00 C ATOM 51 O SER A 6 -0.139 -12.573 2.962 1.00 0.00 O ATOM 52 CB SER A 6 0.963 -14.351 5.566 1.00 0.00 C ATOM 53 OG SER A 6 2.170 -14.776 6.174 1.00 0.00 O ATOM 0 H SER A 6 2.629 -12.937 4.347 1.00 0.00 H new ATOM 0 HA SER A 6 1.189 -15.353 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.702 -13.356 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.151 -15.018 5.856 1.00 0.00 H new ATOM 0 HG SER A 6 2.062 -14.779 7.148 1.00 0.00 H new ATOM 59 N GLY A 7 -1.246 -14.479 3.413 1.00 0.00 N ATOM 60 CA GLY A 7 -2.490 -13.993 2.849 1.00 0.00 C ATOM 61 C GLY A 7 -2.280 -13.221 1.561 1.00 0.00 C ATOM 62 O GLY A 7 -1.270 -13.380 0.875 1.00 0.00 O ATOM 0 H GLY A 7 -1.287 -15.427 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.153 -14.837 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.989 -13.352 3.576 1.00 0.00 H new ATOM 66 N PRO A 8 -3.252 -12.364 1.214 1.00 0.00 N ATOM 67 CA PRO A 8 -3.192 -11.549 -0.002 1.00 0.00 C ATOM 68 C PRO A 8 -2.127 -10.461 0.081 1.00 0.00 C ATOM 69 O PRO A 8 -1.705 -10.072 1.171 1.00 0.00 O ATOM 70 CB PRO A 8 -4.588 -10.925 -0.081 1.00 0.00 C ATOM 71 CG PRO A 8 -5.075 -10.907 1.327 1.00 0.00 C ATOM 72 CD PRO A 8 -4.484 -12.124 1.985 1.00 0.00 C ATOM 0 HA PRO A 8 -2.925 -12.142 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.549 -9.919 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.248 -11.511 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.761 -9.996 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.164 -10.934 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.270 -11.947 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.161 -12.976 1.936 1.00 0.00 H new ATOM 80 N LYS A 9 -1.695 -9.971 -1.077 1.00 0.00 N ATOM 81 CA LYS A 9 -0.681 -8.926 -1.136 1.00 0.00 C ATOM 82 C LYS A 9 -1.325 -7.544 -1.184 1.00 0.00 C ATOM 83 O LYS A 9 -1.925 -7.163 -2.189 1.00 0.00 O ATOM 84 CB LYS A 9 0.215 -9.126 -2.360 1.00 0.00 C ATOM 85 CG LYS A 9 1.499 -8.313 -2.313 1.00 0.00 C ATOM 86 CD LYS A 9 2.392 -8.614 -3.506 1.00 0.00 C ATOM 87 CE LYS A 9 2.021 -7.760 -4.708 1.00 0.00 C ATOM 88 NZ LYS A 9 2.753 -6.463 -4.715 1.00 0.00 N ATOM 0 H LYS A 9 -2.033 -10.282 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.074 -8.992 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.467 -10.183 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.343 -8.857 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.258 -7.250 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.036 -8.532 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.433 -8.434 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.308 -9.669 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.243 -8.307 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.948 -7.571 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.472 -5.910 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.522 -5.929 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.777 -6.642 -4.747 1.00 0.00 H new ATOM 102 N ALA A 10 -1.195 -6.797 -0.093 1.00 0.00 N ATOM 103 CA ALA A 10 -1.762 -5.456 -0.013 1.00 0.00 C ATOM 104 C ALA A 10 -1.230 -4.568 -1.132 1.00 0.00 C ATOM 105 O ALA A 10 -0.062 -4.180 -1.147 1.00 0.00 O ATOM 106 CB ALA A 10 -1.461 -4.837 1.344 1.00 0.00 C ATOM 0 H ALA A 10 -0.702 -7.097 0.748 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.843 -5.536 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.890 -3.836 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.895 -5.455 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.382 -4.776 1.485 1.00 0.00 H new ATOM 112 N PRO A 11 -2.105 -4.238 -2.094 1.00 0.00 N ATOM 113 CA PRO A 11 -1.745 -3.391 -3.235 1.00 0.00 C ATOM 114 C PRO A 11 -1.497 -1.943 -2.828 1.00 0.00 C ATOM 115 O PRO A 11 -1.440 -1.623 -1.640 1.00 0.00 O ATOM 116 CB PRO A 11 -2.971 -3.487 -4.148 1.00 0.00 C ATOM 117 CG PRO A 11 -4.100 -3.815 -3.233 1.00 0.00 C ATOM 118 CD PRO A 11 -3.513 -4.665 -2.139 1.00 0.00 C ATOM 0 HA PRO A 11 -0.818 -3.716 -3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.147 -2.549 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.840 -4.258 -4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.548 -2.909 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.889 -4.350 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.015 -4.496 -1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.604 -5.728 -2.363 1.00 0.00 H new ATOM 126 N VAL A 12 -1.349 -1.071 -3.820 1.00 0.00 N ATOM 127 CA VAL A 12 -1.108 0.345 -3.564 1.00 0.00 C ATOM 128 C VAL A 12 -2.392 1.154 -3.701 1.00 0.00 C ATOM 129 O VAL A 12 -3.178 0.941 -4.625 1.00 0.00 O ATOM 130 CB VAL A 12 -0.048 0.915 -4.525 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.286 0.213 -4.328 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.517 0.793 -5.967 1.00 0.00 C ATOM 0 H VAL A 12 -1.392 -1.320 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.740 0.425 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 12 0.090 1.972 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.022 0.630 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.625 0.358 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.169 -0.853 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.244 1.200 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.685 -0.257 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.446 1.348 -6.096 1.00 0.00 H new ATOM 142 N THR A 13 -2.600 2.085 -2.775 1.00 0.00 N ATOM 143 CA THR A 13 -3.789 2.927 -2.792 1.00 0.00 C ATOM 144 C THR A 13 -3.572 4.169 -3.651 1.00 0.00 C ATOM 145 O THR A 13 -2.448 4.469 -4.052 1.00 0.00 O ATOM 146 CB THR A 13 -4.189 3.364 -1.370 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.209 4.366 -1.434 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.985 3.906 -0.613 1.00 0.00 C ATOM 0 H THR A 13 -1.960 2.275 -2.004 1.00 0.00 H new ATOM 0 HA THR A 13 -4.593 2.329 -3.220 1.00 0.00 H new ATOM 0 HB THR A 13 -4.571 2.492 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.459 4.637 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.291 4.209 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.222 3.131 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.579 4.767 -1.144 1.00 0.00 H new ATOM 156 N GLY A 14 -4.655 4.888 -3.929 1.00 0.00 N ATOM 157 CA GLY A 14 -4.561 6.088 -4.738 1.00 0.00 C ATOM 158 C GLY A 14 -3.396 6.970 -4.333 1.00 0.00 C ATOM 159 O GLY A 14 -2.939 7.805 -5.115 1.00 0.00 O ATOM 0 H GLY A 14 -5.596 4.660 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.454 5.809 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.488 6.654 -4.652 1.00 0.00 H new ATOM 163 N TYR A 15 -2.915 6.787 -3.109 1.00 0.00 N ATOM 164 CA TYR A 15 -1.799 7.575 -2.601 1.00 0.00 C ATOM 165 C TYR A 15 -0.472 7.059 -3.151 1.00 0.00 C ATOM 166 O TYR A 15 0.173 7.717 -3.968 1.00 0.00 O ATOM 167 CB TYR A 15 -1.777 7.540 -1.071 1.00 0.00 C ATOM 168 CG TYR A 15 -0.679 8.382 -0.463 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.425 9.668 -0.924 1.00 0.00 C ATOM 170 CD2 TYR A 15 0.104 7.892 0.576 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.578 10.440 -0.371 1.00 0.00 C ATOM 172 CE2 TYR A 15 1.108 8.658 1.136 1.00 0.00 C ATOM 173 CZ TYR A 15 1.342 9.931 0.660 1.00 0.00 C ATOM 174 OH TYR A 15 2.341 10.697 1.215 1.00 0.00 O ATOM 0 H TYR A 15 -3.281 6.100 -2.450 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.934 8.604 -2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.740 7.886 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.657 6.508 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.022 10.071 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.076 6.896 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.764 11.437 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.707 8.262 1.943 1.00 0.00 H new ATOM 0 HH TYR A 15 2.782 10.192 1.929 1.00 0.00 H new ATOM 184 N VAL A 16 -0.071 5.875 -2.698 1.00 0.00 N ATOM 185 CA VAL A 16 1.177 5.268 -3.144 1.00 0.00 C ATOM 186 C VAL A 16 1.192 5.096 -4.659 1.00 0.00 C ATOM 187 O VAL A 16 2.225 5.277 -5.304 1.00 0.00 O ATOM 188 CB VAL A 16 1.403 3.897 -2.481 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.658 3.237 -3.032 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.489 4.045 -0.969 1.00 0.00 C ATOM 0 H VAL A 16 -0.593 5.317 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 16 1.981 5.942 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 16 0.553 3.256 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.801 2.269 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.553 3.096 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.521 3.872 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.649 3.066 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.320 4.703 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.560 4.472 -0.592 1.00 0.00 H new ATOM 200 N ARG A 17 0.040 4.745 -5.221 1.00 0.00 N ATOM 201 CA ARG A 17 -0.079 4.547 -6.661 1.00 0.00 C ATOM 202 C ARG A 17 0.414 5.776 -7.421 1.00 0.00 C ATOM 203 O ARG A 17 1.076 5.657 -8.452 1.00 0.00 O ATOM 204 CB ARG A 17 -1.531 4.249 -7.039 1.00 0.00 C ATOM 205 CG ARG A 17 -1.684 3.606 -8.406 1.00 0.00 C ATOM 206 CD ARG A 17 -3.138 3.590 -8.855 1.00 0.00 C ATOM 207 NE ARG A 17 -3.318 2.852 -10.102 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.055 3.359 -11.301 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.602 4.600 -11.414 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.245 2.626 -12.390 1.00 0.00 N ATOM 0 H ARG A 17 -0.824 4.592 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 17 0.543 3.696 -6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.966 3.591 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.101 5.178 -7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.083 4.150 -9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.301 2.586 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.753 3.140 -8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.488 4.614 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.665 1.894 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.455 5.167 -10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.401 4.987 -12.336 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.594 1.671 -12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.042 3.017 -13.310 1.00 0.00 H new ATOM 224 N PHE A 18 0.086 6.955 -6.904 1.00 0.00 N ATOM 225 CA PHE A 18 0.493 8.206 -7.534 1.00 0.00 C ATOM 226 C PHE A 18 1.922 8.571 -7.144 1.00 0.00 C ATOM 227 O PHE A 18 2.626 9.256 -7.888 1.00 0.00 O ATOM 228 CB PHE A 18 -0.461 9.336 -7.139 1.00 0.00 C ATOM 229 CG PHE A 18 0.176 10.695 -7.171 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.061 11.085 -6.179 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.112 11.585 -8.193 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.649 12.336 -6.205 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.473 12.837 -8.225 1.00 0.00 C ATOM 234 CZ PHE A 18 1.353 13.214 -7.230 1.00 0.00 C ATOM 0 H PHE A 18 -0.460 7.071 -6.051 1.00 0.00 H new ATOM 0 HA PHE A 18 0.454 8.069 -8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.318 9.329 -7.812 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.842 9.145 -6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.295 10.403 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.801 11.297 -8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.338 12.626 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.242 13.521 -9.029 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.809 14.193 -7.253 1.00 0.00 H new ATOM 244 N LEU A 19 2.345 8.111 -5.972 1.00 0.00 N ATOM 245 CA LEU A 19 3.689 8.389 -5.481 1.00 0.00 C ATOM 246 C LEU A 19 4.741 7.728 -6.367 1.00 0.00 C ATOM 247 O LEU A 19 5.749 8.341 -6.714 1.00 0.00 O ATOM 248 CB LEU A 19 3.840 7.899 -4.039 1.00 0.00 C ATOM 249 CG LEU A 19 3.134 8.733 -2.970 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.092 7.982 -1.649 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.828 10.077 -2.799 1.00 0.00 C ATOM 0 H LEU A 19 1.776 7.543 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 19 3.842 9.468 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.463 6.878 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.902 7.861 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 19 2.109 8.913 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.586 8.591 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.551 7.045 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.109 7.771 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.312 10.658 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.863 9.916 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.806 10.620 -3.744 1.00 0.00 H new ATOM 263 N ASN A 20 4.497 6.473 -6.730 1.00 0.00 N ATOM 264 CA ASN A 20 5.420 5.729 -7.578 1.00 0.00 C ATOM 265 C ASN A 20 5.451 6.308 -8.989 1.00 0.00 C ATOM 266 O ASN A 20 6.521 6.549 -9.547 1.00 0.00 O ATOM 267 CB ASN A 20 5.022 4.252 -7.629 1.00 0.00 C ATOM 268 CG ASN A 20 5.097 3.586 -6.268 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.799 4.055 -5.373 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.372 2.485 -6.109 1.00 0.00 N ATOM 0 H ASN A 20 3.667 5.950 -6.450 1.00 0.00 H new ATOM 0 HA ASN A 20 6.418 5.815 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.007 4.165 -8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.676 3.726 -8.325 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.383 1.992 -5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.804 2.132 -6.880 1.00 0.00 H new ATOM 277 N GLU A 21 4.271 6.528 -9.559 1.00 0.00 N ATOM 278 CA GLU A 21 4.163 7.079 -10.904 1.00 0.00 C ATOM 279 C GLU A 21 4.987 8.357 -11.037 1.00 0.00 C ATOM 280 O GLU A 21 5.778 8.505 -11.969 1.00 0.00 O ATOM 281 CB GLU A 21 2.700 7.365 -11.247 1.00 0.00 C ATOM 282 CG GLU A 21 2.446 7.544 -12.735 1.00 0.00 C ATOM 283 CD GLU A 21 2.244 6.225 -13.454 1.00 0.00 C ATOM 284 OE1 GLU A 21 1.221 5.558 -13.193 1.00 0.00 O ATOM 285 OE2 GLU A 21 3.108 5.859 -14.278 1.00 0.00 O ATOM 0 H GLU A 21 3.376 6.333 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 21 4.555 6.340 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.083 6.546 -10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.382 8.266 -10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.565 8.170 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.288 8.073 -13.183 1.00 0.00 H new ATOM 292 N ARG A 22 4.795 9.278 -10.098 1.00 0.00 N ATOM 293 CA ARG A 22 5.518 10.544 -10.110 1.00 0.00 C ATOM 294 C ARG A 22 6.974 10.343 -9.698 1.00 0.00 C ATOM 295 O ARG A 22 7.883 10.913 -10.299 1.00 0.00 O ATOM 296 CB ARG A 22 4.846 11.548 -9.173 1.00 0.00 C ATOM 297 CG ARG A 22 3.687 12.297 -9.812 1.00 0.00 C ATOM 298 CD ARG A 22 4.178 13.366 -10.775 1.00 0.00 C ATOM 299 NE ARG A 22 4.975 14.387 -10.098 1.00 0.00 N ATOM 300 CZ ARG A 22 5.576 15.389 -10.731 1.00 0.00 C ATOM 301 NH1 ARG A 22 5.472 15.503 -12.048 1.00 0.00 N ATOM 302 NH2 ARG A 22 6.283 16.279 -10.046 1.00 0.00 N ATOM 0 H ARG A 22 4.145 9.171 -9.319 1.00 0.00 H new ATOM 0 HA ARG A 22 5.497 10.936 -11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.484 11.022 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.590 12.269 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.047 11.593 -10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.078 12.758 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.775 12.901 -11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.323 13.836 -11.261 1.00 0.00 H new ATOM 0 HE ARG A 22 5.075 14.327 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.930 14.821 -12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.934 16.273 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.365 16.194 -9.033 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.744 17.048 -10.533 1.00 0.00 H new ATOM 316 N ARG A 23 7.184 9.529 -8.669 1.00 0.00 N ATOM 317 CA ARG A 23 8.529 9.254 -8.175 1.00 0.00 C ATOM 318 C ARG A 23 9.509 9.084 -9.332 1.00 0.00 C ATOM 319 O ARG A 23 10.709 9.304 -9.177 1.00 0.00 O ATOM 320 CB ARG A 23 8.527 7.996 -7.305 1.00 0.00 C ATOM 321 CG ARG A 23 9.903 7.370 -7.137 1.00 0.00 C ATOM 322 CD ARG A 23 10.768 8.175 -6.181 1.00 0.00 C ATOM 323 NE ARG A 23 11.685 7.327 -5.425 1.00 0.00 N ATOM 324 CZ ARG A 23 12.666 6.626 -5.982 1.00 0.00 C ATOM 325 NH1 ARG A 23 12.858 6.674 -7.293 1.00 0.00 N ATOM 326 NH2 ARG A 23 13.460 5.876 -5.227 1.00 0.00 N ATOM 0 H ARG A 23 6.441 9.049 -8.161 1.00 0.00 H new ATOM 0 HA ARG A 23 8.849 10.104 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.128 8.245 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.854 7.261 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.797 6.351 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.395 7.305 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.338 8.914 -6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.129 8.724 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 23 11.566 7.270 -4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.252 7.250 -7.876 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.612 6.135 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.317 5.838 -4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.213 5.338 -5.656 1.00 0.00 H new ATOM 340 N GLU A 24 8.986 8.691 -10.490 1.00 0.00 N ATOM 341 CA GLU A 24 9.816 8.492 -11.672 1.00 0.00 C ATOM 342 C GLU A 24 10.104 9.820 -12.366 1.00 0.00 C ATOM 343 O GLU A 24 11.261 10.179 -12.586 1.00 0.00 O ATOM 344 CB GLU A 24 9.131 7.532 -12.648 1.00 0.00 C ATOM 345 CG GLU A 24 9.660 7.628 -14.068 1.00 0.00 C ATOM 346 CD GLU A 24 9.266 6.437 -14.920 1.00 0.00 C ATOM 347 OE1 GLU A 24 9.640 5.301 -14.560 1.00 0.00 O ATOM 348 OE2 GLU A 24 8.583 6.640 -15.946 1.00 0.00 O ATOM 0 H GLU A 24 7.994 8.505 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 24 10.763 8.058 -11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.259 6.511 -12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.060 7.736 -12.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.284 8.541 -14.531 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.747 7.708 -14.042 1.00 0.00 H new ATOM 355 N GLN A 25 9.044 10.544 -12.709 1.00 0.00 N ATOM 356 CA GLN A 25 9.182 11.831 -13.379 1.00 0.00 C ATOM 357 C GLN A 25 10.239 12.691 -12.692 1.00 0.00 C ATOM 358 O GLN A 25 10.972 13.432 -13.349 1.00 0.00 O ATOM 359 CB GLN A 25 7.842 12.568 -13.396 1.00 0.00 C ATOM 360 CG GLN A 25 6.767 11.855 -14.200 1.00 0.00 C ATOM 361 CD GLN A 25 6.972 11.987 -15.696 1.00 0.00 C ATOM 362 OE1 GLN A 25 6.976 13.093 -16.239 1.00 0.00 O ATOM 363 NE2 GLN A 25 7.145 10.858 -16.373 1.00 0.00 N ATOM 0 H GLN A 25 8.080 10.261 -12.534 1.00 0.00 H new ATOM 0 HA GLN A 25 9.500 11.646 -14.405 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.493 12.695 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.991 13.566 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.758 10.799 -13.930 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.791 12.261 -13.934 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.135 9.963 -15.884 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.288 10.886 -17.382 1.00 0.00 H new ATOM 372 N ILE A 26 10.312 12.587 -11.370 1.00 0.00 N ATOM 373 CA ILE A 26 11.279 13.355 -10.595 1.00 0.00 C ATOM 374 C ILE A 26 12.700 12.863 -10.849 1.00 0.00 C ATOM 375 O ILE A 26 13.582 13.642 -11.212 1.00 0.00 O ATOM 376 CB ILE A 26 10.983 13.276 -9.086 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.502 13.553 -8.820 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.857 14.259 -8.323 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.098 14.987 -9.084 1.00 0.00 C ATOM 0 H ILE A 26 9.713 11.978 -10.812 1.00 0.00 H new ATOM 0 HA ILE A 26 11.191 14.392 -10.919 1.00 0.00 H new ATOM 0 HB ILE A 26 11.213 12.269 -8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.900 12.894 -9.445 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.275 13.305 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.636 14.191 -7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.907 14.019 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.655 15.272 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.035 15.110 -8.874 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.674 15.652 -8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.293 15.234 -10.128 1.00 0.00 H new ATOM 391 N ARG A 27 12.915 11.565 -10.659 1.00 0.00 N ATOM 392 CA ARG A 27 14.228 10.969 -10.868 1.00 0.00 C ATOM 393 C ARG A 27 14.882 11.522 -12.131 1.00 0.00 C ATOM 394 O ARG A 27 16.096 11.713 -12.183 1.00 0.00 O ATOM 395 CB ARG A 27 14.111 9.447 -10.965 1.00 0.00 C ATOM 396 CG ARG A 27 14.184 8.744 -9.620 1.00 0.00 C ATOM 397 CD ARG A 27 15.625 8.504 -9.193 1.00 0.00 C ATOM 398 NE ARG A 27 15.722 7.505 -8.133 1.00 0.00 N ATOM 399 CZ ARG A 27 16.822 6.801 -7.886 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.910 6.986 -8.620 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.833 5.909 -6.904 1.00 0.00 N ATOM 0 H ARG A 27 12.196 10.906 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 27 14.855 11.224 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.167 9.194 -11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.908 9.070 -11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.675 9.345 -8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.657 7.792 -9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.209 8.177 -10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.062 9.441 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 27 14.901 7.338 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.905 7.670 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.753 6.444 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.997 5.763 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.677 5.369 -6.715 1.00 0.00 H new ATOM 415 N THR A 28 14.066 11.776 -13.150 1.00 0.00 N ATOM 416 CA THR A 28 14.564 12.304 -14.413 1.00 0.00 C ATOM 417 C THR A 28 15.101 13.721 -14.244 1.00 0.00 C ATOM 418 O THR A 28 16.167 14.057 -14.762 1.00 0.00 O ATOM 419 CB THR A 28 13.464 12.310 -15.492 1.00 0.00 C ATOM 420 OG1 THR A 28 12.815 11.034 -15.538 1.00 0.00 O ATOM 421 CG2 THR A 28 14.048 12.637 -16.858 1.00 0.00 C ATOM 0 H THR A 28 13.058 11.624 -13.124 1.00 0.00 H new ATOM 0 HA THR A 28 15.373 11.647 -14.732 1.00 0.00 H new ATOM 0 HB THR A 28 12.736 13.078 -15.232 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.116 11.047 -16.225 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.253 12.635 -17.604 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.515 13.621 -16.828 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.795 11.889 -17.123 1.00 0.00 H new ATOM 429 N ARG A 29 14.358 14.547 -13.514 1.00 0.00 N ATOM 430 CA ARG A 29 14.761 15.928 -13.278 1.00 0.00 C ATOM 431 C ARG A 29 15.874 15.999 -12.235 1.00 0.00 C ATOM 432 O ARG A 29 16.933 16.575 -12.482 1.00 0.00 O ATOM 433 CB ARG A 29 13.562 16.759 -12.815 1.00 0.00 C ATOM 434 CG ARG A 29 12.653 17.200 -13.950 1.00 0.00 C ATOM 435 CD ARG A 29 11.231 17.435 -13.465 1.00 0.00 C ATOM 436 NE ARG A 29 10.441 18.194 -14.432 1.00 0.00 N ATOM 437 CZ ARG A 29 9.165 18.514 -14.250 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.538 18.144 -13.141 1.00 0.00 N ATOM 439 NH2 ARG A 29 8.514 19.207 -15.175 1.00 0.00 N ATOM 0 H ARG A 29 13.475 14.284 -13.076 1.00 0.00 H new ATOM 0 HA ARG A 29 15.138 16.336 -14.216 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.981 16.176 -12.101 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.924 17.641 -12.287 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.043 18.115 -14.395 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.651 16.441 -14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.749 16.476 -13.277 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.256 17.971 -12.516 1.00 0.00 H new ATOM 0 HE ARG A 29 10.895 18.495 -15.295 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.036 17.613 -12.427 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.558 18.391 -13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.993 19.495 -16.028 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.534 19.452 -15.033 1.00 0.00 H new ATOM 453 N HIS A 30 15.625 15.408 -11.071 1.00 0.00 N ATOM 454 CA HIS A 30 16.606 15.404 -9.991 1.00 0.00 C ATOM 455 C HIS A 30 17.194 14.010 -9.797 1.00 0.00 C ATOM 456 O HIS A 30 16.787 13.256 -8.912 1.00 0.00 O ATOM 457 CB HIS A 30 15.966 15.886 -8.690 1.00 0.00 C ATOM 458 CG HIS A 30 15.175 17.148 -8.843 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.667 18.391 -8.501 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.920 17.357 -9.307 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.748 19.308 -8.746 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.679 18.707 -9.236 1.00 0.00 N ATOM 0 H HIS A 30 14.753 14.926 -10.851 1.00 0.00 H new ATOM 0 HA HIS A 30 17.412 16.085 -10.263 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.314 15.103 -8.304 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.748 16.045 -7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.236 16.602 -9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 30 14.853 20.369 -8.575 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.815 19.170 -9.516 1.00 0.00 H new ATOM 471 N PRO A 31 18.175 13.656 -10.642 1.00 0.00 N ATOM 472 CA PRO A 31 18.838 12.351 -10.584 1.00 0.00 C ATOM 473 C PRO A 31 19.719 12.204 -9.347 1.00 0.00 C ATOM 474 O PRO A 31 20.332 11.158 -9.131 1.00 0.00 O ATOM 475 CB PRO A 31 19.693 12.331 -11.853 1.00 0.00 C ATOM 476 CG PRO A 31 19.940 13.766 -12.168 1.00 0.00 C ATOM 477 CD PRO A 31 18.709 14.505 -11.720 1.00 0.00 C ATOM 0 HA PRO A 31 18.121 11.532 -10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.628 11.795 -11.692 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.175 11.830 -12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.826 14.133 -11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.114 13.907 -13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.949 15.506 -11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.992 14.621 -12.533 1.00 0.00 H new ATOM 485 N ASP A 32 19.776 13.256 -8.539 1.00 0.00 N ATOM 486 CA ASP A 32 20.580 13.243 -7.322 1.00 0.00 C ATOM 487 C ASP A 32 19.710 12.978 -6.098 1.00 0.00 C ATOM 488 O ASP A 32 20.195 12.508 -5.068 1.00 0.00 O ATOM 489 CB ASP A 32 21.319 14.573 -7.160 1.00 0.00 C ATOM 490 CG ASP A 32 22.517 14.685 -8.081 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.198 13.660 -8.299 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.775 15.798 -8.586 1.00 0.00 O ATOM 0 H ASP A 32 19.275 14.129 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 32 21.310 12.438 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.631 15.394 -7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.648 14.679 -6.126 1.00 0.00 H new ATOM 497 N LEU A 33 18.421 13.285 -6.216 1.00 0.00 N ATOM 498 CA LEU A 33 17.484 13.081 -5.118 1.00 0.00 C ATOM 499 C LEU A 33 17.259 11.594 -4.862 1.00 0.00 C ATOM 500 O LEU A 33 16.796 10.853 -5.729 1.00 0.00 O ATOM 501 CB LEU A 33 16.149 13.762 -5.429 1.00 0.00 C ATOM 502 CG LEU A 33 16.081 15.264 -5.144 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.634 15.724 -5.057 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.826 15.597 -3.861 1.00 0.00 C ATOM 0 H LEU A 33 18.003 13.675 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 33 17.913 13.525 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.918 13.601 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.368 13.267 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 33 16.561 15.794 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.604 16.794 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.130 15.520 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.130 15.188 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.767 16.669 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.375 15.058 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.871 15.303 -3.960 1.00 0.00 H new ATOM 516 N PRO A 34 17.594 11.146 -3.643 1.00 0.00 N ATOM 517 CA PRO A 34 17.437 9.745 -3.244 1.00 0.00 C ATOM 518 C PRO A 34 15.972 9.345 -3.095 1.00 0.00 C ATOM 519 O PRO A 34 15.077 10.035 -3.586 1.00 0.00 O ATOM 520 CB PRO A 34 18.148 9.680 -1.890 1.00 0.00 C ATOM 521 CG PRO A 34 18.084 11.071 -1.361 1.00 0.00 C ATOM 522 CD PRO A 34 18.152 11.974 -2.561 1.00 0.00 C ATOM 0 HA PRO A 34 17.845 9.061 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.655 8.978 -1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.180 9.346 -2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.163 11.234 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.910 11.267 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.572 12.885 -2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.176 12.280 -2.776 1.00 0.00 H new ATOM 530 N PHE A 35 15.734 8.229 -2.416 1.00 0.00 N ATOM 531 CA PHE A 35 14.377 7.738 -2.203 1.00 0.00 C ATOM 532 C PHE A 35 13.638 8.603 -1.186 1.00 0.00 C ATOM 533 O PHE A 35 12.590 9.181 -1.472 1.00 0.00 O ATOM 534 CB PHE A 35 14.407 6.284 -1.726 1.00 0.00 C ATOM 535 CG PHE A 35 13.279 5.935 -0.799 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.998 6.410 -1.035 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.498 5.129 0.307 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.958 6.089 -0.182 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.461 4.806 1.163 1.00 0.00 C ATOM 540 CZ PHE A 35 11.190 5.286 0.918 1.00 0.00 C ATOM 0 H PHE A 35 16.463 7.647 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 35 13.845 7.791 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.372 5.625 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.354 6.095 -1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.810 7.037 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.490 4.749 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.965 6.466 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.645 4.179 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.379 5.034 1.585 1.00 0.00 H new ATOM 550 N PRO A 36 14.198 8.695 0.029 1.00 0.00 N ATOM 551 CA PRO A 36 13.610 9.488 1.113 1.00 0.00 C ATOM 552 C PRO A 36 13.701 10.987 0.850 1.00 0.00 C ATOM 553 O PRO A 36 13.595 11.795 1.772 1.00 0.00 O ATOM 554 CB PRO A 36 14.456 9.106 2.330 1.00 0.00 C ATOM 555 CG PRO A 36 15.763 8.673 1.762 1.00 0.00 C ATOM 556 CD PRO A 36 15.448 8.033 0.438 1.00 0.00 C ATOM 0 HA PRO A 36 12.546 9.286 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.579 9.951 3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.988 8.305 2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.434 9.523 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.263 7.969 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.245 8.196 -0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.319 6.955 0.533 1.00 0.00 H new ATOM 564 N GLU A 37 13.896 11.351 -0.413 1.00 0.00 N ATOM 565 CA GLU A 37 14.002 12.754 -0.796 1.00 0.00 C ATOM 566 C GLU A 37 12.987 13.099 -1.882 1.00 0.00 C ATOM 567 O GLU A 37 12.618 14.261 -2.054 1.00 0.00 O ATOM 568 CB GLU A 37 15.417 13.068 -1.286 1.00 0.00 C ATOM 569 CG GLU A 37 16.382 13.428 -0.170 1.00 0.00 C ATOM 570 CD GLU A 37 16.344 14.904 0.180 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.320 15.556 -0.112 1.00 0.00 O ATOM 572 OE2 GLU A 37 17.338 15.405 0.745 1.00 0.00 O ATOM 0 H GLU A 37 13.984 10.694 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 37 13.788 13.361 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.805 12.204 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.372 13.894 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.141 12.842 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.394 13.155 -0.468 1.00 0.00 H new ATOM 579 N ILE A 38 12.541 12.082 -2.612 1.00 0.00 N ATOM 580 CA ILE A 38 11.570 12.278 -3.681 1.00 0.00 C ATOM 581 C ILE A 38 10.145 12.081 -3.171 1.00 0.00 C ATOM 582 O ILE A 38 9.274 12.924 -3.388 1.00 0.00 O ATOM 583 CB ILE A 38 11.821 11.313 -4.853 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.221 11.533 -5.432 1.00 0.00 C ATOM 585 CG2 ILE A 38 10.762 11.499 -5.929 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.724 10.367 -6.256 1.00 0.00 C ATOM 0 H ILE A 38 12.837 11.114 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 38 11.690 13.303 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 38 11.758 10.290 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.212 12.429 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.918 11.718 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.954 10.809 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 38 9.777 11.298 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.796 12.524 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.721 10.592 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.765 9.473 -5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.048 10.195 -7.094 1.00 0.00 H new ATOM 598 N THR A 39 9.915 10.962 -2.491 1.00 0.00 N ATOM 599 CA THR A 39 8.598 10.654 -1.951 1.00 0.00 C ATOM 600 C THR A 39 8.094 11.781 -1.055 1.00 0.00 C ATOM 601 O THR A 39 6.888 11.970 -0.897 1.00 0.00 O ATOM 602 CB THR A 39 8.614 9.341 -1.145 1.00 0.00 C ATOM 603 OG1 THR A 39 8.638 8.221 -2.036 1.00 0.00 O ATOM 604 CG2 THR A 39 7.397 9.248 -0.237 1.00 0.00 C ATOM 0 H THR A 39 10.625 10.254 -2.302 1.00 0.00 H new ATOM 0 HA THR A 39 7.926 10.541 -2.802 1.00 0.00 H new ATOM 0 HB THR A 39 9.511 9.331 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.489 7.396 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.431 8.313 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.398 10.087 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.490 9.278 -0.840 1.00 0.00 H new ATOM 612 N LYS A 40 9.025 12.525 -0.469 1.00 0.00 N ATOM 613 CA LYS A 40 8.677 13.635 0.409 1.00 0.00 C ATOM 614 C LYS A 40 8.130 14.813 -0.391 1.00 0.00 C ATOM 615 O LYS A 40 7.243 15.531 0.071 1.00 0.00 O ATOM 616 CB LYS A 40 9.900 14.077 1.216 1.00 0.00 C ATOM 617 CG LYS A 40 10.991 14.711 0.370 1.00 0.00 C ATOM 618 CD LYS A 40 11.974 15.494 1.222 1.00 0.00 C ATOM 619 CE LYS A 40 11.465 16.897 1.515 1.00 0.00 C ATOM 620 NZ LYS A 40 12.103 17.476 2.730 1.00 0.00 N ATOM 0 H LYS A 40 10.028 12.379 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 40 7.901 13.293 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.584 14.789 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.312 13.213 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.523 13.935 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.541 15.374 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.146 14.965 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.934 15.554 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.663 17.541 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.384 16.870 1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.730 18.432 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.893 16.875 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.133 17.525 2.591 1.00 0.00 H new ATOM 634 N MET A 41 8.663 15.004 -1.594 1.00 0.00 N ATOM 635 CA MET A 41 8.226 16.092 -2.459 1.00 0.00 C ATOM 636 C MET A 41 6.829 15.821 -3.010 1.00 0.00 C ATOM 637 O MET A 41 5.939 16.667 -2.919 1.00 0.00 O ATOM 638 CB MET A 41 9.213 16.285 -3.610 1.00 0.00 C ATOM 639 CG MET A 41 10.521 16.935 -3.187 1.00 0.00 C ATOM 640 SD MET A 41 11.372 17.742 -4.557 1.00 0.00 S ATOM 641 CE MET A 41 11.602 16.361 -5.674 1.00 0.00 C ATOM 0 H MET A 41 9.398 14.419 -1.991 1.00 0.00 H new ATOM 0 HA MET A 41 8.191 17.005 -1.864 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.427 15.316 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.745 16.898 -4.380 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.321 17.669 -2.406 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.175 16.178 -2.754 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.361 16.614 -6.414 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.923 15.486 -5.109 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.662 16.141 -6.180 1.00 0.00 H new ATOM 651 N LEU A 42 6.645 14.637 -3.585 1.00 0.00 N ATOM 652 CA LEU A 42 5.357 14.255 -4.153 1.00 0.00 C ATOM 653 C LEU A 42 4.232 14.475 -3.146 1.00 0.00 C ATOM 654 O LEU A 42 3.204 15.069 -3.469 1.00 0.00 O ATOM 655 CB LEU A 42 5.386 12.789 -4.590 1.00 0.00 C ATOM 656 CG LEU A 42 6.488 12.405 -5.577 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.389 10.931 -5.941 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.413 13.271 -6.825 1.00 0.00 C ATOM 0 H LEU A 42 7.371 13.926 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 42 5.169 14.884 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.490 12.168 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.423 12.545 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 42 7.453 12.576 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.182 10.676 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.495 10.326 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.420 10.734 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.205 12.983 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.445 13.133 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.535 14.318 -6.549 1.00 0.00 H new ATOM 670 N GLY A 43 4.435 13.993 -1.923 1.00 0.00 N ATOM 671 CA GLY A 43 3.430 14.149 -0.888 1.00 0.00 C ATOM 672 C GLY A 43 2.742 15.499 -0.948 1.00 0.00 C ATOM 673 O GLY A 43 1.522 15.588 -0.808 1.00 0.00 O ATOM 0 H GLY A 43 5.277 13.497 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.685 13.360 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.897 14.025 0.089 1.00 0.00 H new ATOM 677 N ALA A 44 3.525 16.553 -1.155 1.00 0.00 N ATOM 678 CA ALA A 44 2.983 17.903 -1.232 1.00 0.00 C ATOM 679 C ALA A 44 2.113 18.075 -2.473 1.00 0.00 C ATOM 680 O ALA A 44 1.104 18.778 -2.441 1.00 0.00 O ATOM 681 CB ALA A 44 4.111 18.925 -1.230 1.00 0.00 C ATOM 0 H ALA A 44 4.537 16.497 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 44 2.356 18.068 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.692 19.930 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.690 18.826 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.760 18.752 -2.089 1.00 0.00 H new ATOM 687 N GLU A 45 2.512 17.430 -3.564 1.00 0.00 N ATOM 688 CA GLU A 45 1.770 17.515 -4.815 1.00 0.00 C ATOM 689 C GLU A 45 0.388 16.882 -4.672 1.00 0.00 C ATOM 690 O GLU A 45 -0.611 17.436 -5.129 1.00 0.00 O ATOM 691 CB GLU A 45 2.543 16.826 -5.942 1.00 0.00 C ATOM 692 CG GLU A 45 3.975 17.314 -6.083 1.00 0.00 C ATOM 693 CD GLU A 45 4.507 17.162 -7.495 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.688 17.001 -8.423 1.00 0.00 O ATOM 695 OE2 GLU A 45 5.742 17.204 -7.670 1.00 0.00 O ATOM 0 H GLU A 45 3.345 16.843 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 45 1.645 18.569 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.550 15.751 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.018 16.988 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.028 18.362 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.614 16.758 -5.396 1.00 0.00 H new ATOM 702 N TRP A 46 0.341 15.717 -4.034 1.00 0.00 N ATOM 703 CA TRP A 46 -0.917 15.007 -3.831 1.00 0.00 C ATOM 704 C TRP A 46 -1.986 15.943 -3.278 1.00 0.00 C ATOM 705 O TRP A 46 -3.152 15.862 -3.661 1.00 0.00 O ATOM 706 CB TRP A 46 -0.711 13.828 -2.879 1.00 0.00 C ATOM 707 CG TRP A 46 -1.994 13.175 -2.458 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.533 13.161 -1.202 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.895 12.441 -3.292 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.715 12.462 -1.207 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.961 12.010 -2.477 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.908 12.106 -4.648 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -5.024 11.263 -2.975 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.965 11.363 -5.142 1.00 0.00 C ATOM 715 CH2 TRP A 46 -5.010 10.949 -4.307 1.00 0.00 C ATOM 0 H TRP A 46 1.159 15.245 -3.649 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.255 14.631 -4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.075 13.086 -3.362 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.179 14.174 -1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.094 13.630 -0.334 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.313 12.305 -0.396 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.107 12.422 -5.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.831 10.942 -2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.985 11.098 -6.189 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.822 10.370 -4.723 1.00 0.00 H new ATOM 726 N SER A 47 -1.580 16.832 -2.376 1.00 0.00 N ATOM 727 CA SER A 47 -2.506 17.781 -1.768 1.00 0.00 C ATOM 728 C SER A 47 -2.818 18.926 -2.727 1.00 0.00 C ATOM 729 O SER A 47 -3.921 19.471 -2.724 1.00 0.00 O ATOM 730 CB SER A 47 -1.920 18.335 -0.469 1.00 0.00 C ATOM 731 OG SER A 47 -2.697 19.415 0.021 1.00 0.00 O ATOM 0 H SER A 47 -0.617 16.915 -2.051 1.00 0.00 H new ATOM 0 HA SER A 47 -3.434 17.254 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.877 17.545 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.896 18.668 -0.641 1.00 0.00 H new ATOM 0 HG SER A 47 -2.303 19.751 0.853 1.00 0.00 H new ATOM 737 N LYS A 48 -1.837 19.284 -3.550 1.00 0.00 N ATOM 738 CA LYS A 48 -2.005 20.362 -4.517 1.00 0.00 C ATOM 739 C LYS A 48 -2.541 19.827 -5.841 1.00 0.00 C ATOM 740 O LYS A 48 -2.498 20.514 -6.863 1.00 0.00 O ATOM 741 CB LYS A 48 -0.673 21.080 -4.747 1.00 0.00 C ATOM 742 CG LYS A 48 -0.007 21.550 -3.465 1.00 0.00 C ATOM 743 CD LYS A 48 1.506 21.582 -3.603 1.00 0.00 C ATOM 744 CE LYS A 48 1.951 22.633 -4.609 1.00 0.00 C ATOM 745 NZ LYS A 48 2.131 23.968 -3.974 1.00 0.00 N ATOM 0 H LYS A 48 -0.917 18.843 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.728 21.070 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.005 20.409 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.840 21.940 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.371 22.545 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.285 20.887 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.957 21.791 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.865 20.602 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.888 22.321 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.213 22.707 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.434 24.656 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.230 24.278 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.854 23.904 -3.229 1.00 0.00 H new ATOM 759 N LEU A 49 -3.047 18.600 -5.817 1.00 0.00 N ATOM 760 CA LEU A 49 -3.594 17.973 -7.015 1.00 0.00 C ATOM 761 C LEU A 49 -4.953 18.568 -7.369 1.00 0.00 C ATOM 762 O LEU A 49 -5.571 19.255 -6.556 1.00 0.00 O ATOM 763 CB LEU A 49 -3.724 16.462 -6.811 1.00 0.00 C ATOM 764 CG LEU A 49 -2.508 15.624 -7.206 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.757 14.152 -6.917 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.173 15.832 -8.676 1.00 0.00 C ATOM 0 H LEU A 49 -3.090 18.018 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.908 18.164 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.943 16.275 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.583 16.111 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.656 15.950 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.881 13.571 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.948 14.017 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.621 13.811 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.305 15.228 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.023 15.533 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.950 16.884 -8.853 1.00 0.00 H new ATOM 778 N GLN A 50 -5.412 18.300 -8.588 1.00 0.00 N ATOM 779 CA GLN A 50 -6.698 18.807 -9.049 1.00 0.00 C ATOM 780 C GLN A 50 -7.842 17.933 -8.545 1.00 0.00 C ATOM 781 O GLN A 50 -7.657 16.765 -8.201 1.00 0.00 O ATOM 782 CB GLN A 50 -6.726 18.874 -10.576 1.00 0.00 C ATOM 783 CG GLN A 50 -6.075 20.126 -11.143 1.00 0.00 C ATOM 784 CD GLN A 50 -6.597 21.396 -10.502 1.00 0.00 C ATOM 785 OE1 GLN A 50 -6.078 21.850 -9.481 1.00 0.00 O ATOM 786 NE2 GLN A 50 -7.629 21.980 -11.099 1.00 0.00 N ATOM 0 H GLN A 50 -4.912 17.734 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.829 19.811 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.220 17.997 -10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.761 18.828 -10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.996 20.067 -10.998 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.251 20.167 -12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.029 21.570 -11.943 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.022 22.839 -10.713 1.00 0.00 H new ATOM 795 N PRO A 51 -9.052 18.509 -8.499 1.00 0.00 N ATOM 796 CA PRO A 51 -10.250 17.800 -8.038 1.00 0.00 C ATOM 797 C PRO A 51 -10.694 16.717 -9.016 1.00 0.00 C ATOM 798 O PRO A 51 -11.706 16.052 -8.802 1.00 0.00 O ATOM 799 CB PRO A 51 -11.305 18.905 -7.949 1.00 0.00 C ATOM 800 CG PRO A 51 -10.848 19.943 -8.915 1.00 0.00 C ATOM 801 CD PRO A 51 -9.345 19.897 -8.893 1.00 0.00 C ATOM 0 HA PRO A 51 -10.078 17.280 -7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.295 18.530 -8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.373 19.307 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.230 19.740 -9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.212 20.930 -8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.921 20.136 -9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.931 20.612 -8.182 1.00 0.00 H new ATOM 809 N ALA A 52 -9.929 16.546 -10.089 1.00 0.00 N ATOM 810 CA ALA A 52 -10.243 15.542 -11.099 1.00 0.00 C ATOM 811 C ALA A 52 -9.213 14.416 -11.092 1.00 0.00 C ATOM 812 O ALA A 52 -9.554 13.251 -11.291 1.00 0.00 O ATOM 813 CB ALA A 52 -10.317 16.184 -12.476 1.00 0.00 C ATOM 0 H ALA A 52 -9.088 17.089 -10.282 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.215 15.112 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.552 15.423 -13.220 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.095 16.948 -12.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.357 16.642 -12.716 1.00 0.00 H new ATOM 819 N GLU A 53 -7.954 14.774 -10.863 1.00 0.00 N ATOM 820 CA GLU A 53 -6.876 13.793 -10.833 1.00 0.00 C ATOM 821 C GLU A 53 -6.873 13.029 -9.512 1.00 0.00 C ATOM 822 O GLU A 53 -6.911 11.798 -9.493 1.00 0.00 O ATOM 823 CB GLU A 53 -5.525 14.480 -11.040 1.00 0.00 C ATOM 824 CG GLU A 53 -5.410 15.209 -12.368 1.00 0.00 C ATOM 825 CD GLU A 53 -5.640 14.296 -13.557 1.00 0.00 C ATOM 826 OE1 GLU A 53 -4.986 13.234 -13.624 1.00 0.00 O ATOM 827 OE2 GLU A 53 -6.474 14.643 -14.419 1.00 0.00 O ATOM 0 H GLU A 53 -7.656 15.735 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.042 13.083 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.360 15.190 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.734 13.733 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.134 16.024 -12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.420 15.659 -12.447 1.00 0.00 H new ATOM 834 N LYS A 54 -6.827 13.766 -8.408 1.00 0.00 N ATOM 835 CA LYS A 54 -6.818 13.161 -7.082 1.00 0.00 C ATOM 836 C LYS A 54 -7.992 12.201 -6.915 1.00 0.00 C ATOM 837 O LYS A 54 -7.825 11.078 -6.442 1.00 0.00 O ATOM 838 CB LYS A 54 -6.876 14.246 -6.003 1.00 0.00 C ATOM 839 CG LYS A 54 -6.385 13.778 -4.644 1.00 0.00 C ATOM 840 CD LYS A 54 -7.042 14.556 -3.516 1.00 0.00 C ATOM 841 CE LYS A 54 -6.127 14.660 -2.305 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.794 15.345 -1.163 1.00 0.00 N ATOM 0 H LYS A 54 -6.795 14.786 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.891 12.598 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.276 15.098 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.903 14.598 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.597 12.715 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.303 13.896 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.301 15.556 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.973 14.067 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.816 13.661 -1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.224 15.205 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.138 15.396 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.068 16.307 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.642 14.811 -0.885 1.00 0.00 H new ATOM 856 N GLN A 55 -9.179 12.651 -7.309 1.00 0.00 N ATOM 857 CA GLN A 55 -10.380 11.830 -7.204 1.00 0.00 C ATOM 858 C GLN A 55 -10.273 10.593 -8.088 1.00 0.00 C ATOM 859 O GLN A 55 -10.729 9.511 -7.716 1.00 0.00 O ATOM 860 CB GLN A 55 -11.616 12.644 -7.593 1.00 0.00 C ATOM 861 CG GLN A 55 -12.927 11.923 -7.329 1.00 0.00 C ATOM 862 CD GLN A 55 -13.007 11.350 -5.928 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.088 12.088 -4.946 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.983 10.026 -5.828 1.00 0.00 N ATOM 0 H GLN A 55 -9.335 13.579 -7.703 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.478 11.506 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.610 13.584 -7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.556 12.896 -8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.755 12.615 -7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.047 11.118 -8.054 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.915 9.452 -6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.033 9.583 -4.911 1.00 0.00 H new ATOM 873 N ARG A 56 -9.668 10.759 -9.260 1.00 0.00 N ATOM 874 CA ARG A 56 -9.503 9.655 -10.197 1.00 0.00 C ATOM 875 C ARG A 56 -8.547 8.606 -9.638 1.00 0.00 C ATOM 876 O ARG A 56 -8.763 7.404 -9.802 1.00 0.00 O ATOM 877 CB ARG A 56 -8.983 10.172 -11.540 1.00 0.00 C ATOM 878 CG ARG A 56 -8.804 9.082 -12.585 1.00 0.00 C ATOM 879 CD ARG A 56 -7.891 9.536 -13.712 1.00 0.00 C ATOM 880 NE ARG A 56 -8.324 10.805 -14.291 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.607 11.493 -15.173 1.00 0.00 C ATOM 882 NH1 ARG A 56 -6.430 11.036 -15.578 1.00 0.00 N ATOM 883 NH2 ARG A 56 -8.068 12.641 -15.654 1.00 0.00 N ATOM 0 H ARG A 56 -9.284 11.647 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.477 9.190 -10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.675 10.921 -11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.028 10.672 -11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.388 8.191 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.776 8.804 -12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.873 9.638 -13.335 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.868 8.772 -14.489 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.226 11.184 -14.003 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.072 10.154 -15.212 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.882 11.567 -16.255 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.974 12.996 -15.347 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.517 13.168 -16.331 1.00 0.00 H new ATOM 897 N TYR A 57 -7.489 9.067 -8.981 1.00 0.00 N ATOM 898 CA TYR A 57 -6.498 8.169 -8.401 1.00 0.00 C ATOM 899 C TYR A 57 -7.135 7.254 -7.361 1.00 0.00 C ATOM 900 O TYR A 57 -6.878 6.049 -7.335 1.00 0.00 O ATOM 901 CB TYR A 57 -5.363 8.972 -7.762 1.00 0.00 C ATOM 902 CG TYR A 57 -4.324 9.446 -8.755 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.639 8.544 -9.558 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.030 10.797 -8.889 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.689 8.972 -10.465 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.083 11.235 -9.795 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.415 10.319 -10.580 1.00 0.00 C ATOM 908 OH TYR A 57 -1.470 10.750 -11.482 1.00 0.00 O ATOM 0 H TYR A 57 -7.295 10.058 -8.837 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.092 7.552 -9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.785 9.836 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.876 8.358 -7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.853 7.489 -9.472 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.550 11.517 -8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.164 8.256 -11.080 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.867 12.289 -9.888 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.398 11.726 -11.439 1.00 0.00 H new ATOM 918 N LEU A 58 -7.969 7.833 -6.504 1.00 0.00 N ATOM 919 CA LEU A 58 -8.646 7.070 -5.460 1.00 0.00 C ATOM 920 C LEU A 58 -9.460 5.928 -6.061 1.00 0.00 C ATOM 921 O LEU A 58 -9.359 4.782 -5.621 1.00 0.00 O ATOM 922 CB LEU A 58 -9.557 7.986 -4.642 1.00 0.00 C ATOM 923 CG LEU A 58 -8.889 9.209 -4.012 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.937 10.167 -3.466 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.928 8.784 -2.912 1.00 0.00 C ATOM 0 H LEU A 58 -8.193 8.828 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.886 6.644 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.366 8.330 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.013 7.396 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.320 9.727 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.444 11.031 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.586 10.497 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.533 9.660 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.462 9.667 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.475 8.243 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.158 8.137 -3.332 1.00 0.00 H new ATOM 937 N ASP A 59 -10.264 6.249 -7.069 1.00 0.00 N ATOM 938 CA ASP A 59 -11.092 5.249 -7.732 1.00 0.00 C ATOM 939 C ASP A 59 -10.228 4.176 -8.390 1.00 0.00 C ATOM 940 O ASP A 59 -10.420 2.983 -8.155 1.00 0.00 O ATOM 941 CB ASP A 59 -11.989 5.912 -8.780 1.00 0.00 C ATOM 942 CG ASP A 59 -13.103 4.998 -9.252 1.00 0.00 C ATOM 943 OD1 ASP A 59 -12.809 4.045 -10.003 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.266 5.236 -8.869 1.00 0.00 O ATOM 0 H ASP A 59 -10.360 7.193 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.718 4.773 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.422 6.820 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.383 6.212 -9.635 1.00 0.00 H new ATOM 949 N GLU A 60 -9.281 4.610 -9.215 1.00 0.00 N ATOM 950 CA GLU A 60 -8.390 3.686 -9.908 1.00 0.00 C ATOM 951 C GLU A 60 -7.798 2.671 -8.934 1.00 0.00 C ATOM 952 O GLU A 60 -7.913 1.462 -9.137 1.00 0.00 O ATOM 953 CB GLU A 60 -7.267 4.454 -10.608 1.00 0.00 C ATOM 954 CG GLU A 60 -7.732 5.240 -11.821 1.00 0.00 C ATOM 955 CD GLU A 60 -7.932 4.364 -13.043 1.00 0.00 C ATOM 956 OE1 GLU A 60 -8.869 3.538 -13.032 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.153 4.505 -14.008 1.00 0.00 O ATOM 0 H GLU A 60 -9.111 5.595 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.973 3.149 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.808 5.139 -9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.494 3.750 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.668 5.746 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.000 6.015 -12.050 1.00 0.00 H new ATOM 964 N ALA A 61 -7.163 3.171 -7.880 1.00 0.00 N ATOM 965 CA ALA A 61 -6.554 2.308 -6.875 1.00 0.00 C ATOM 966 C ALA A 61 -7.599 1.421 -6.207 1.00 0.00 C ATOM 967 O ALA A 61 -7.387 0.222 -6.031 1.00 0.00 O ATOM 968 CB ALA A 61 -5.825 3.144 -5.834 1.00 0.00 C ATOM 0 H ALA A 61 -7.057 4.169 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.833 1.661 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.375 2.487 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.045 3.730 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.532 3.815 -5.346 1.00 0.00 H new ATOM 974 N GLU A 62 -8.726 2.019 -5.835 1.00 0.00 N ATOM 975 CA GLU A 62 -9.803 1.282 -5.184 1.00 0.00 C ATOM 976 C GLU A 62 -10.075 -0.034 -5.907 1.00 0.00 C ATOM 977 O GLU A 62 -10.052 -1.106 -5.301 1.00 0.00 O ATOM 978 CB GLU A 62 -11.077 2.128 -5.142 1.00 0.00 C ATOM 979 CG GLU A 62 -11.132 3.088 -3.965 1.00 0.00 C ATOM 980 CD GLU A 62 -12.149 4.194 -4.163 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.363 3.903 -4.104 1.00 0.00 O ATOM 982 OE2 GLU A 62 -11.733 5.352 -4.377 1.00 0.00 O ATOM 0 H GLU A 62 -8.917 3.011 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.492 1.058 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.156 2.697 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.942 1.466 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.376 2.533 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.146 3.528 -3.813 1.00 0.00 H new ATOM 989 N LYS A 63 -10.337 0.055 -7.207 1.00 0.00 N ATOM 990 CA LYS A 63 -10.614 -1.126 -8.015 1.00 0.00 C ATOM 991 C LYS A 63 -9.663 -2.264 -7.660 1.00 0.00 C ATOM 992 O LYS A 63 -10.040 -3.435 -7.697 1.00 0.00 O ATOM 993 CB LYS A 63 -10.492 -0.792 -9.504 1.00 0.00 C ATOM 994 CG LYS A 63 -11.722 -0.110 -10.076 1.00 0.00 C ATOM 995 CD LYS A 63 -11.707 -0.117 -11.595 1.00 0.00 C ATOM 996 CE LYS A 63 -12.079 -1.483 -12.151 1.00 0.00 C ATOM 997 NZ LYS A 63 -11.557 -1.683 -13.531 1.00 0.00 N ATOM 0 H LYS A 63 -10.363 0.934 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.634 -1.448 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.626 -0.147 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.305 -1.711 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.619 -0.615 -9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.770 0.918 -9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.405 0.632 -11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.716 0.164 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.684 -2.261 -11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.164 -1.590 -12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.832 -2.626 -13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.954 -0.957 -14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.520 -1.606 -13.524 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.428 -1.911 -7.313 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.425 -2.905 -6.951 1.00 0.00 C ATOM 1013 C GLU A 64 -7.443 -3.173 -5.448 1.00 0.00 C ATOM 1014 O GLU A 64 -7.032 -4.240 -4.991 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.033 -2.436 -7.379 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.887 -2.253 -8.880 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.549 -3.547 -9.595 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -6.275 -4.543 -9.394 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -4.559 -3.563 -10.356 1.00 0.00 O ATOM 0 H GLU A 64 -8.100 -0.946 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.665 -3.832 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.809 -1.492 -6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.294 -3.160 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.815 -1.850 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.107 -1.518 -9.079 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.921 -2.196 -4.685 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.994 -2.324 -3.234 1.00 0.00 C ATOM 1028 C LYS A 65 -9.074 -3.324 -2.830 1.00 0.00 C ATOM 1029 O LYS A 65 -8.870 -4.138 -1.930 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.279 -0.963 -2.595 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.078 -0.944 -1.089 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.432 0.409 -0.497 1.00 0.00 C ATOM 1033 CE LYS A 65 -8.385 0.381 1.023 1.00 0.00 C ATOM 1034 NZ LYS A 65 -6.995 0.505 1.539 1.00 0.00 N ATOM 0 H LYS A 65 -8.264 -1.306 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.032 -2.691 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.630 -0.215 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.305 -0.673 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.695 -1.716 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.040 -1.184 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.739 1.163 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.429 0.702 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.993 1.194 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.824 -0.550 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.007 0.482 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.420 -0.285 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.584 1.405 1.218 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.218 -3.255 -3.501 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.328 -4.155 -3.212 1.00 0.00 C ATOM 1050 C GLN A 66 -10.981 -5.590 -3.597 1.00 0.00 C ATOM 1051 O GLN A 66 -11.265 -6.527 -2.853 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.585 -3.705 -3.957 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.449 -3.762 -5.471 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.479 -2.907 -6.182 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.164 -3.371 -7.094 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.594 -1.651 -5.768 1.00 0.00 N ATOM 0 H GLN A 66 -10.401 -2.586 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.519 -4.122 -2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.422 -4.333 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.827 -2.684 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.450 -3.432 -5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.549 -4.796 -5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.006 -1.308 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.271 -1.028 -6.209 1.00 0.00 H new ATOM 1065 N GLN A 67 -10.365 -5.752 -4.763 1.00 0.00 N ATOM 1066 CA GLN A 67 -9.980 -7.072 -5.247 1.00 0.00 C ATOM 1067 C GLN A 67 -9.126 -7.802 -4.215 1.00 0.00 C ATOM 1068 O GLN A 67 -9.366 -8.971 -3.911 1.00 0.00 O ATOM 1069 CB GLN A 67 -9.216 -6.953 -6.566 1.00 0.00 C ATOM 1070 CG GLN A 67 -9.220 -8.231 -7.390 1.00 0.00 C ATOM 1071 CD GLN A 67 -8.718 -8.016 -8.804 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -7.761 -8.657 -9.240 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -9.364 -7.110 -9.530 1.00 0.00 N ATOM 0 H GLN A 67 -10.122 -4.985 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.889 -7.649 -5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.652 -6.148 -7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.185 -6.670 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.598 -8.978 -6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.233 -8.633 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.152 -6.602 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.072 -6.922 -10.489 1.00 0.00 H new ATOM 1082 N TYR A 68 -8.129 -7.105 -3.680 1.00 0.00 N ATOM 1083 CA TYR A 68 -7.237 -7.688 -2.685 1.00 0.00 C ATOM 1084 C TYR A 68 -7.963 -7.899 -1.360 1.00 0.00 C ATOM 1085 O TYR A 68 -7.749 -8.898 -0.672 1.00 0.00 O ATOM 1086 CB TYR A 68 -6.018 -6.789 -2.473 1.00 0.00 C ATOM 1087 CG TYR A 68 -5.442 -6.868 -1.077 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -6.043 -6.201 -0.018 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -4.297 -7.612 -0.819 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -5.520 -6.270 1.259 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -3.768 -7.688 0.455 1.00 0.00 C ATOM 1092 CZ TYR A 68 -4.382 -7.014 1.490 1.00 0.00 C ATOM 1093 OH TYR A 68 -3.859 -7.087 2.760 1.00 0.00 O ATOM 0 H TYR A 68 -7.919 -6.136 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.905 -8.658 -3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.246 -7.063 -3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.297 -5.757 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.935 -5.618 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.813 -8.139 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.000 -5.744 2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.878 -8.272 0.640 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.058 -7.651 2.752 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.826 -6.951 -1.008 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.585 -7.032 0.235 1.00 0.00 C ATOM 1105 C LEU A 69 -10.268 -8.389 0.368 1.00 0.00 C ATOM 1106 O LEU A 69 -9.989 -9.149 1.297 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.630 -5.916 0.289 1.00 0.00 C ATOM 1108 CG LEU A 69 -10.121 -4.539 0.719 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -10.976 -3.440 0.112 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -10.102 -4.427 2.237 1.00 0.00 C ATOM 0 H LEU A 69 -9.017 -6.118 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.890 -6.913 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.083 -5.822 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.421 -6.219 0.975 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.101 -4.420 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.598 -2.468 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.937 -3.507 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.007 -3.555 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.737 -3.441 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.111 -4.568 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.444 -5.192 2.650 1.00 0.00 H new ATOM 1122 N LYS A 70 -11.163 -8.690 -0.567 1.00 0.00 N ATOM 1123 CA LYS A 70 -11.883 -9.958 -0.556 1.00 0.00 C ATOM 1124 C LYS A 70 -10.915 -11.135 -0.482 1.00 0.00 C ATOM 1125 O LYS A 70 -11.252 -12.195 0.041 1.00 0.00 O ATOM 1126 CB LYS A 70 -12.757 -10.082 -1.807 1.00 0.00 C ATOM 1127 CG LYS A 70 -11.999 -9.852 -3.104 1.00 0.00 C ATOM 1128 CD LYS A 70 -12.880 -10.101 -4.316 1.00 0.00 C ATOM 1129 CE LYS A 70 -13.188 -11.582 -4.486 1.00 0.00 C ATOM 1130 NZ LYS A 70 -13.748 -11.880 -5.833 1.00 0.00 N ATOM 0 H LYS A 70 -11.407 -8.073 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.519 -9.978 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.206 -11.075 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.575 -9.364 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.623 -8.829 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.132 -10.511 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.811 -9.544 -4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.384 -9.726 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.278 -12.162 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.897 -11.896 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.945 -12.898 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.630 -11.346 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.061 -11.604 -6.563 1.00 0.00 H new ATOM 1144 N GLU A 71 -9.710 -10.937 -1.009 1.00 0.00 N ATOM 1145 CA GLU A 71 -8.693 -11.982 -1.000 1.00 0.00 C ATOM 1146 C GLU A 71 -8.041 -12.097 0.375 1.00 0.00 C ATOM 1147 O GLU A 71 -7.053 -12.811 0.549 1.00 0.00 O ATOM 1148 CB GLU A 71 -7.626 -11.696 -2.059 1.00 0.00 C ATOM 1149 CG GLU A 71 -8.095 -11.957 -3.481 1.00 0.00 C ATOM 1150 CD GLU A 71 -6.948 -12.243 -4.430 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -6.109 -11.342 -4.635 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -6.889 -13.369 -4.967 1.00 0.00 O ATOM 0 H GLU A 71 -9.415 -10.064 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.181 -12.929 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.311 -10.656 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.750 -12.312 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.783 -12.802 -3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.652 -11.092 -3.840 1.00 0.00 H new ATOM 1159 N LEU A 72 -8.602 -11.389 1.349 1.00 0.00 N ATOM 1160 CA LEU A 72 -8.077 -11.409 2.710 1.00 0.00 C ATOM 1161 C LEU A 72 -9.078 -12.042 3.671 1.00 0.00 C ATOM 1162 O LEU A 72 -8.709 -12.846 4.526 1.00 0.00 O ATOM 1163 CB LEU A 72 -7.740 -9.989 3.169 1.00 0.00 C ATOM 1164 CG LEU A 72 -7.100 -9.866 4.553 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -5.837 -10.708 4.634 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.793 -8.409 4.870 1.00 0.00 C ATOM 0 H LEU A 72 -9.421 -10.794 1.222 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.168 -12.011 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.066 -9.542 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.656 -9.399 3.160 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.808 -10.238 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.396 -10.608 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.084 -11.754 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.124 -10.367 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.338 -8.340 5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.104 -8.012 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.717 -7.831 4.854 1.00 0.00 H new ATOM 1178 N TRP A 73 -10.346 -11.674 3.522 1.00 0.00 N ATOM 1179 CA TRP A 73 -11.401 -12.209 4.376 1.00 0.00 C ATOM 1180 C TRP A 73 -12.199 -13.285 3.647 1.00 0.00 C ATOM 1181 O TRP A 73 -12.400 -14.381 4.168 1.00 0.00 O ATOM 1182 CB TRP A 73 -12.335 -11.086 4.831 1.00 0.00 C ATOM 1183 CG TRP A 73 -12.727 -10.155 3.724 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -11.934 -9.226 3.113 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -14.012 -10.061 3.099 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -12.648 -8.562 2.145 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -13.926 -9.056 2.116 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -15.228 -10.730 3.272 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -15.007 -8.705 1.313 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -16.299 -10.381 2.475 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -16.184 -9.377 1.504 1.00 0.00 C ATOM 0 H TRP A 73 -10.668 -11.009 2.819 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.932 -12.660 5.250 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -13.235 -11.524 5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.847 -10.515 5.621 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.898 -9.041 3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.285 -7.821 1.545 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -15.327 -11.506 4.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.920 -7.930 0.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -17.243 -10.891 2.602 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -17.041 -9.129 0.895 1.00 0.00 H new ATOM 1202 N ALA A 74 -12.650 -12.964 2.438 1.00 0.00 N ATOM 1203 CA ALA A 74 -13.424 -13.905 1.637 1.00 0.00 C ATOM 1204 C ALA A 74 -12.758 -15.276 1.607 1.00 0.00 C ATOM 1205 O ALA A 74 -13.408 -16.286 1.334 1.00 0.00 O ATOM 1206 CB ALA A 74 -13.604 -13.372 0.224 1.00 0.00 C ATOM 0 H ALA A 74 -12.493 -12.060 1.992 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.405 -14.016 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.184 -14.085 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.130 -12.418 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.627 -13.231 -0.239 1.00 0.00 H new ATOM 1212 N TYR A 75 -11.461 -15.305 1.887 1.00 0.00 N ATOM 1213 CA TYR A 75 -10.705 -16.553 1.888 1.00 0.00 C ATOM 1214 C TYR A 75 -10.655 -17.158 3.287 1.00 0.00 C ATOM 1215 O TYR A 75 -10.972 -18.332 3.478 1.00 0.00 O ATOM 1216 CB TYR A 75 -9.285 -16.316 1.371 1.00 0.00 C ATOM 1217 CG TYR A 75 -8.262 -17.261 1.959 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -8.346 -18.630 1.740 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -7.210 -16.783 2.731 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -7.413 -19.497 2.275 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -6.272 -17.643 3.270 1.00 0.00 C ATOM 1222 CZ TYR A 75 -6.378 -18.999 3.039 1.00 0.00 C ATOM 1223 OH TYR A 75 -5.445 -19.859 3.573 1.00 0.00 O ATOM 0 H TYR A 75 -10.910 -14.478 2.117 1.00 0.00 H new ATOM 0 HA TYR A 75 -11.212 -17.255 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.280 -16.418 0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.992 -15.291 1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.154 -19.023 1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.124 -15.722 2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.493 -20.559 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.461 -17.256 3.869 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.783 -19.348 4.083 1.00 0.00 H new ATOM 1233 N GLN A 76 -10.257 -16.347 4.262 1.00 0.00 N ATOM 1234 CA GLN A 76 -10.165 -16.803 5.644 1.00 0.00 C ATOM 1235 C GLN A 76 -11.468 -17.458 6.088 1.00 0.00 C ATOM 1236 O GLN A 76 -11.457 -18.500 6.745 1.00 0.00 O ATOM 1237 CB GLN A 76 -9.829 -15.630 6.568 1.00 0.00 C ATOM 1238 CG GLN A 76 -8.374 -15.199 6.499 1.00 0.00 C ATOM 1239 CD GLN A 76 -8.034 -14.125 7.515 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -7.416 -14.402 8.544 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -8.436 -12.893 7.231 1.00 0.00 N ATOM 0 H GLN A 76 -9.993 -15.372 4.121 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.368 -17.544 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.463 -14.782 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.069 -15.907 7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.734 -16.066 6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.156 -14.828 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.945 -12.709 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.236 -12.130 7.877 1.00 0.00 H new ATOM 1250 N GLN A 77 -12.589 -16.842 5.727 1.00 0.00 N ATOM 1251 CA GLN A 77 -13.900 -17.367 6.090 1.00 0.00 C ATOM 1252 C GLN A 77 -14.091 -18.779 5.548 1.00 0.00 C ATOM 1253 O GLN A 77 -14.870 -19.564 6.089 1.00 0.00 O ATOM 1254 CB GLN A 77 -15.004 -16.450 5.560 1.00 0.00 C ATOM 1255 CG GLN A 77 -14.864 -16.120 4.084 1.00 0.00 C ATOM 1256 CD GLN A 77 -15.613 -17.092 3.194 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -15.987 -18.184 3.624 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -15.839 -16.699 1.945 1.00 0.00 N ATOM 0 H GLN A 77 -12.616 -15.979 5.184 1.00 0.00 H new ATOM 0 HA GLN A 77 -13.960 -17.405 7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -15.971 -16.925 5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -15.001 -15.523 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -15.234 -15.110 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.808 -16.125 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -15.511 -15.786 1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -16.340 -17.311 1.301 1.00 0.00 H new ATOM 1267 N SER A 78 -13.375 -19.096 4.474 1.00 0.00 N ATOM 1268 CA SER A 78 -13.469 -20.414 3.854 1.00 0.00 C ATOM 1269 C SER A 78 -13.203 -21.515 4.875 1.00 0.00 C ATOM 1270 O SER A 78 -12.306 -21.397 5.711 1.00 0.00 O ATOM 1271 CB SER A 78 -12.477 -20.527 2.695 1.00 0.00 C ATOM 1272 OG SER A 78 -11.173 -20.820 3.166 1.00 0.00 O ATOM 0 H SER A 78 -12.724 -18.459 4.015 1.00 0.00 H new ATOM 0 HA SER A 78 -14.482 -20.536 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.803 -21.308 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.463 -19.594 2.132 1.00 0.00 H new ATOM 0 HG SER A 78 -10.646 -19.995 3.204 1.00 0.00 H new ATOM 1278 N GLU A 79 -13.988 -22.584 4.802 1.00 0.00 N ATOM 1279 CA GLU A 79 -13.838 -23.707 5.720 1.00 0.00 C ATOM 1280 C GLU A 79 -12.413 -24.252 5.685 1.00 0.00 C ATOM 1281 O GLU A 79 -11.835 -24.575 6.723 1.00 0.00 O ATOM 1282 CB GLU A 79 -14.829 -24.818 5.369 1.00 0.00 C ATOM 1283 CG GLU A 79 -16.268 -24.484 5.726 1.00 0.00 C ATOM 1284 CD GLU A 79 -16.515 -24.496 7.222 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -16.630 -25.599 7.797 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -16.595 -23.402 7.818 1.00 0.00 O ATOM 0 H GLU A 79 -14.735 -22.697 4.117 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.047 -23.349 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.767 -25.025 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.537 -25.731 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.518 -23.501 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.934 -25.201 5.246 1.00 0.00 H new ATOM 1293 N ALA A 80 -11.853 -24.351 4.484 1.00 0.00 N ATOM 1294 CA ALA A 80 -10.496 -24.855 4.313 1.00 0.00 C ATOM 1295 C ALA A 80 -9.515 -24.104 5.205 1.00 0.00 C ATOM 1296 O ALA A 80 -8.424 -24.595 5.498 1.00 0.00 O ATOM 1297 CB ALA A 80 -10.074 -24.750 2.855 1.00 0.00 C ATOM 0 H ALA A 80 -12.318 -24.089 3.615 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.485 -25.904 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.059 -25.130 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.752 -25.338 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.108 -23.707 2.541 1.00 0.00 H new ATOM 1303 N TYR A 81 -9.908 -22.910 5.635 1.00 0.00 N ATOM 1304 CA TYR A 81 -9.061 -22.089 6.493 1.00 0.00 C ATOM 1305 C TYR A 81 -9.226 -22.480 7.958 1.00 0.00 C ATOM 1306 O TYR A 81 -8.249 -22.586 8.699 1.00 0.00 O ATOM 1307 CB TYR A 81 -9.395 -20.608 6.308 1.00 0.00 C ATOM 1308 CG TYR A 81 -8.478 -19.680 7.072 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -8.724 -19.373 8.406 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -7.369 -19.109 6.462 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -7.889 -18.526 9.107 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -6.529 -18.261 7.157 1.00 0.00 C ATOM 1313 CZ TYR A 81 -6.793 -17.973 8.479 1.00 0.00 C ATOM 1314 OH TYR A 81 -5.959 -17.128 9.175 1.00 0.00 O ATOM 0 H TYR A 81 -10.808 -22.489 5.404 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.023 -22.260 6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.344 -20.363 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.423 -20.433 6.627 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -9.582 -19.804 8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.160 -19.332 5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.093 -18.298 10.143 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.670 -17.826 6.667 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.267 -16.204 9.069 1.00 0.00 H new ATOM 1324 N LYS A 82 -10.471 -22.697 8.369 1.00 0.00 N ATOM 1325 CA LYS A 82 -10.767 -23.080 9.744 1.00 0.00 C ATOM 1326 C LYS A 82 -10.329 -24.515 10.016 1.00 0.00 C ATOM 1327 O LYS A 82 -9.708 -24.800 11.040 1.00 0.00 O ATOM 1328 CB LYS A 82 -12.265 -22.930 10.025 1.00 0.00 C ATOM 1329 CG LYS A 82 -12.740 -21.488 10.039 1.00 0.00 C ATOM 1330 CD LYS A 82 -14.226 -21.388 9.740 1.00 0.00 C ATOM 1331 CE LYS A 82 -15.064 -21.925 10.890 1.00 0.00 C ATOM 1332 NZ LYS A 82 -16.516 -21.668 10.687 1.00 0.00 N ATOM 0 H LYS A 82 -11.291 -22.614 7.769 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.210 -22.418 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.825 -23.481 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.493 -23.388 10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.533 -21.045 11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.180 -20.912 9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.491 -20.348 9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.454 -21.945 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.896 -22.997 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.740 -21.462 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.050 -22.034 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.678 -20.645 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.835 -22.145 9.820 1.00 0.00 H new ATOM 1346 N VAL A 83 -10.655 -25.414 9.093 1.00 0.00 N ATOM 1347 CA VAL A 83 -10.293 -26.819 9.233 1.00 0.00 C ATOM 1348 C VAL A 83 -8.780 -26.988 9.332 1.00 0.00 C ATOM 1349 O VAL A 83 -8.028 -26.410 8.548 1.00 0.00 O ATOM 1350 CB VAL A 83 -10.815 -27.654 8.049 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -9.999 -27.375 6.796 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -10.792 -29.136 8.392 1.00 0.00 C ATOM 0 H VAL A 83 -11.169 -25.194 8.240 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.758 -27.176 10.152 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.847 -27.366 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.383 -27.974 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.073 -26.318 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.955 -27.633 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.164 -29.711 7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.770 -29.441 8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.425 -29.318 9.260 1.00 0.00 H new ATOM 1362 N CYS A 84 -8.343 -27.787 10.299 1.00 0.00 N ATOM 1363 CA CYS A 84 -6.920 -28.034 10.502 1.00 0.00 C ATOM 1364 C CYS A 84 -6.588 -29.507 10.290 1.00 0.00 C ATOM 1365 O CYS A 84 -5.985 -29.881 9.282 1.00 0.00 O ATOM 1366 CB CYS A 84 -6.501 -27.601 11.907 1.00 0.00 C ATOM 1367 SG CYS A 84 -4.732 -27.781 12.238 1.00 0.00 S ATOM 0 H CYS A 84 -8.953 -28.275 10.955 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.367 -27.447 9.769 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.783 -26.558 12.053 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.058 -28.187 12.638 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.475 -27.387 13.450 1.00 0.00 H new ATOM 1373 N THR A 85 -6.984 -30.342 11.246 1.00 0.00 N ATOM 1374 CA THR A 85 -6.725 -31.774 11.165 1.00 0.00 C ATOM 1375 C THR A 85 -8.004 -32.576 11.380 1.00 0.00 C ATOM 1376 O THR A 85 -9.009 -32.042 11.848 1.00 0.00 O ATOM 1377 CB THR A 85 -5.677 -32.215 12.204 1.00 0.00 C ATOM 1378 OG1 THR A 85 -6.046 -31.744 13.504 1.00 0.00 O ATOM 1379 CG2 THR A 85 -4.299 -31.683 11.840 1.00 0.00 C ATOM 0 H THR A 85 -7.485 -30.051 12.085 1.00 0.00 H new ATOM 0 HA THR A 85 -6.339 -31.970 10.165 1.00 0.00 H new ATOM 0 HB THR A 85 -5.640 -33.304 12.210 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.375 -32.030 14.158 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.575 -32.007 12.588 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.007 -32.067 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.326 -30.594 11.809 1.00 0.00 H new ATOM 1387 N GLU A 86 -7.958 -33.858 11.036 1.00 0.00 N ATOM 1388 CA GLU A 86 -9.114 -34.733 11.190 1.00 0.00 C ATOM 1389 C GLU A 86 -9.566 -34.784 12.647 1.00 0.00 C ATOM 1390 O GLU A 86 -8.784 -35.109 13.540 1.00 0.00 O ATOM 1391 CB GLU A 86 -8.785 -36.143 10.699 1.00 0.00 C ATOM 1392 CG GLU A 86 -10.006 -36.943 10.278 1.00 0.00 C ATOM 1393 CD GLU A 86 -10.718 -36.336 9.085 1.00 0.00 C ATOM 1394 OE1 GLU A 86 -11.569 -35.445 9.292 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -10.426 -36.752 7.944 1.00 0.00 O ATOM 0 H GLU A 86 -7.132 -34.315 10.648 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.927 -34.327 10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.098 -36.073 9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.264 -36.682 11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.703 -37.961 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.700 -37.008 11.116 1.00 0.00 H new ATOM 1402 N SER A 87 -10.834 -34.457 12.878 1.00 0.00 N ATOM 1403 CA SER A 87 -11.391 -34.461 14.227 1.00 0.00 C ATOM 1404 C SER A 87 -12.711 -35.226 14.267 1.00 0.00 C ATOM 1405 O SER A 87 -13.201 -35.695 13.242 1.00 0.00 O ATOM 1406 CB SER A 87 -11.602 -33.028 14.718 1.00 0.00 C ATOM 1407 OG SER A 87 -12.707 -32.424 14.067 1.00 0.00 O ATOM 0 H SER A 87 -11.495 -34.186 12.150 1.00 0.00 H new ATOM 0 HA SER A 87 -10.682 -34.962 14.886 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.767 -33.030 15.795 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.702 -32.441 14.534 1.00 0.00 H new ATOM 0 HG SER A 87 -12.822 -31.509 14.399 1.00 0.00 H new ATOM 1413 N GLY A 88 -13.281 -35.345 15.463 1.00 0.00 N ATOM 1414 CA GLY A 88 -14.539 -36.053 15.617 1.00 0.00 C ATOM 1415 C GLY A 88 -15.708 -35.114 15.843 1.00 0.00 C ATOM 1416 O GLY A 88 -15.533 -33.931 16.133 1.00 0.00 O ATOM 0 H GLY A 88 -12.895 -34.964 16.327 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -14.726 -36.654 14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -14.464 -36.743 16.457 1.00 0.00 H new ATOM 1420 N PRO A 89 -16.932 -35.645 15.709 1.00 0.00 N ATOM 1421 CA PRO A 89 -18.158 -34.864 15.896 1.00 0.00 C ATOM 1422 C PRO A 89 -18.380 -34.474 17.353 1.00 0.00 C ATOM 1423 O PRO A 89 -17.551 -34.762 18.217 1.00 0.00 O ATOM 1424 CB PRO A 89 -19.260 -35.816 15.425 1.00 0.00 C ATOM 1425 CG PRO A 89 -18.690 -37.179 15.614 1.00 0.00 C ATOM 1426 CD PRO A 89 -17.213 -37.049 15.366 1.00 0.00 C ATOM 0 HA PRO A 89 -18.127 -33.921 15.350 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.172 -35.684 16.007 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -19.519 -35.636 14.382 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -18.886 -37.547 16.621 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -19.141 -37.890 14.921 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -16.639 -37.737 15.987 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -16.959 -37.268 14.329 1.00 0.00 H new ATOM 1434 N SER A 90 -19.503 -33.816 17.621 1.00 0.00 N ATOM 1435 CA SER A 90 -19.832 -33.381 18.974 1.00 0.00 C ATOM 1436 C SER A 90 -21.231 -33.847 19.368 1.00 0.00 C ATOM 1437 O SER A 90 -22.136 -33.905 18.536 1.00 0.00 O ATOM 1438 CB SER A 90 -19.741 -31.859 19.081 1.00 0.00 C ATOM 1439 OG SER A 90 -18.416 -31.446 19.368 1.00 0.00 O ATOM 0 H SER A 90 -20.201 -33.572 16.919 1.00 0.00 H new ATOM 0 HA SER A 90 -19.111 -33.829 19.658 1.00 0.00 H new ATOM 0 HB2 SER A 90 -20.072 -31.405 18.147 1.00 0.00 H new ATOM 0 HB3 SER A 90 -20.413 -31.505 19.863 1.00 0.00 H new ATOM 0 HG SER A 90 -18.384 -30.468 19.430 1.00 0.00 H new ATOM 1445 N SER A 91 -21.400 -34.178 20.644 1.00 0.00 N ATOM 1446 CA SER A 91 -22.686 -34.642 21.150 1.00 0.00 C ATOM 1447 C SER A 91 -23.597 -33.464 21.481 1.00 0.00 C ATOM 1448 O SER A 91 -23.349 -32.720 22.430 1.00 0.00 O ATOM 1449 CB SER A 91 -22.486 -35.512 22.394 1.00 0.00 C ATOM 1450 OG SER A 91 -23.695 -36.145 22.773 1.00 0.00 O ATOM 0 H SER A 91 -20.662 -34.133 21.347 1.00 0.00 H new ATOM 0 HA SER A 91 -23.161 -35.238 20.371 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.724 -36.266 22.196 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.120 -34.897 23.217 1.00 0.00 H new ATOM 0 HG SER A 91 -23.540 -36.696 23.569 1.00 0.00 H new ATOM 1456 N GLY A 92 -24.653 -33.300 20.690 1.00 0.00 N ATOM 1457 CA GLY A 92 -25.586 -32.211 20.915 1.00 0.00 C ATOM 1458 C GLY A 92 -26.066 -31.584 19.620 1.00 0.00 C ATOM 1459 O GLY A 92 -27.162 -31.882 19.148 1.00 0.00 O ATOM 0 H GLY A 92 -24.879 -33.901 19.898 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -26.444 -32.581 21.476 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -25.108 -31.448 21.530 1.00 0.00 H new TER 1463 GLY A 92