USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.291 (180deg=-1.15!) USER MOD Single : A 2 THR OG1 : rot 79:sc= 0.78 USER MOD Single : A 3 MET CE :methyl -117:sc= -1.64 (180deg=-4.48!) USER MOD Single : A 4 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 7 SER OG : rot -122:sc= 0.331 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.153 F(o=-0.97,f=-0.15) USER MOD Single : A 10 MET CE :methyl 160:sc= 0 (180deg=-0.423) USER MOD Single : A 13 THR OG1 : rot 103:sc= -0.915 USER MOD Single : A 18 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.072) USER MOD Single : A 19 HIS : no HD1:sc= -2.22 X(o=-2.2,f=-2.2) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 0.876 (180deg=0.758) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0476 (180deg=-0.312) USER MOD Single : A 31 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.62) USER MOD Single : A 32 THR OG1 : rot 150:sc= -1.24 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.346 F(o=-1.7,f=-0.35) USER MOD Single : A 36 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.095) USER MOD Single : A 42 SER OG : rot 160:sc= -0.0989 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.173 (180deg=-0.621) USER MOD Single : A 46 GLN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.028 F(o=-0.6,f=-0.028) USER MOD Single : A 56 THR OG1 : rot 11:sc= 0.0188 USER MOD Single : A 58 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-6.7!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -24:sc= -0.703 USER MOD Single : A 72 THR OG1 : rot 99:sc= -1.78 USER MOD Single : A 75 ASN : amide:sc= -2.03 K(o=-2,f=-7.6!) USER MOD Single : A 79 ASN : amide:sc= -2.87! C(o=-2.9!,f=-3.1!) USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= -1.51 (180deg=-6.71!) USER MOD Single : A 84 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.5!) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0147) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.774 -0.834 -7.383 1.00 0.00 N ATOM 2 CA MET A 1 185.380 -0.343 -7.552 1.00 0.00 C ATOM 3 C MET A 1 184.545 -1.333 -8.360 1.00 0.00 C ATOM 4 O MET A 1 183.964 -0.982 -9.386 1.00 0.00 O ATOM 5 CB MET A 1 185.420 1.016 -8.256 1.00 0.00 C ATOM 6 CG MET A 1 186.524 1.935 -7.751 1.00 0.00 C ATOM 7 SD MET A 1 186.767 3.373 -8.812 1.00 0.00 S ATOM 8 CE MET A 1 187.941 2.725 -10.000 1.00 0.00 C ATOM 0 H1 MET A 1 187.213 -0.360 -6.568 1.00 0.00 H new ATOM 0 H2 MET A 1 186.763 -1.861 -7.221 1.00 0.00 H new ATOM 0 H3 MET A 1 187.322 -0.624 -8.241 1.00 0.00 H new ATOM 0 HA MET A 1 184.914 -0.241 -6.572 1.00 0.00 H new ATOM 0 HB2 MET A 1 185.553 0.857 -9.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 184.458 1.512 -8.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 186.281 2.269 -6.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 187.457 1.375 -7.685 1.00 0.00 H new ATOM 0 HE1 MET A 1 188.190 3.500 -10.725 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.846 2.409 -9.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 187.502 1.872 -10.517 1.00 0.00 H new ATOM 20 N THR A 2 184.497 -2.576 -7.889 1.00 0.00 N ATOM 21 CA THR A 2 183.742 -3.626 -8.564 1.00 0.00 C ATOM 22 C THR A 2 182.239 -3.422 -8.393 1.00 0.00 C ATOM 23 O THR A 2 181.521 -3.215 -9.371 1.00 0.00 O ATOM 24 CB THR A 2 184.142 -4.997 -8.021 1.00 0.00 C ATOM 25 OG1 THR A 2 185.472 -4.975 -7.535 1.00 0.00 O ATOM 26 CG2 THR A 2 184.051 -6.101 -9.053 1.00 0.00 C ATOM 0 H THR A 2 184.974 -2.881 -7.040 1.00 0.00 H new ATOM 0 HA THR A 2 183.977 -3.576 -9.627 1.00 0.00 H new ATOM 0 HB THR A 2 183.431 -5.208 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.488 -4.565 -6.645 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.349 -7.047 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 2 183.025 -6.178 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.713 -5.874 -9.888 1.00 0.00 H new ATOM 34 N MET A 3 181.782 -3.486 -7.137 1.00 0.00 N ATOM 35 CA MET A 3 180.365 -3.319 -6.783 1.00 0.00 C ATOM 36 C MET A 3 179.741 -4.657 -6.395 1.00 0.00 C ATOM 37 O MET A 3 178.955 -5.230 -7.148 1.00 0.00 O ATOM 38 CB MET A 3 179.554 -2.685 -7.920 1.00 0.00 C ATOM 39 CG MET A 3 178.162 -2.242 -7.498 1.00 0.00 C ATOM 40 SD MET A 3 177.759 -0.572 -8.049 1.00 0.00 S ATOM 41 CE MET A 3 176.350 -0.206 -7.006 1.00 0.00 C ATOM 0 H MET A 3 182.386 -3.656 -6.333 1.00 0.00 H new ATOM 0 HA MET A 3 180.334 -2.642 -5.929 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.099 -1.824 -8.308 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.467 -3.401 -8.737 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.427 -2.939 -7.900 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.085 -2.289 -6.412 1.00 0.00 H new ATOM 0 HE1 MET A 3 175.467 -0.056 -7.627 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.176 -1.038 -6.324 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.548 0.699 -6.431 1.00 0.00 H new ATOM 51 N ASN A 4 180.097 -5.145 -5.211 1.00 0.00 N ATOM 52 CA ASN A 4 179.572 -6.412 -4.716 1.00 0.00 C ATOM 53 C ASN A 4 178.380 -6.177 -3.793 1.00 0.00 C ATOM 54 O ASN A 4 178.466 -5.407 -2.837 1.00 0.00 O ATOM 55 CB ASN A 4 180.662 -7.186 -3.971 1.00 0.00 C ATOM 56 CG ASN A 4 181.705 -7.766 -4.906 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.900 -7.513 -4.756 1.00 0.00 O ATOM 58 ND2 ASN A 4 181.256 -8.547 -5.882 1.00 0.00 N ATOM 0 H ASN A 4 180.747 -4.682 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 4 179.241 -7.000 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.149 -6.523 -3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.204 -7.992 -3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 4 181.911 -8.963 -6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 4 180.256 -8.730 -5.969 1.00 0.00 H new ATOM 65 N ILE A 5 177.267 -6.842 -4.087 1.00 0.00 N ATOM 66 CA ILE A 5 176.060 -6.697 -3.282 1.00 0.00 C ATOM 67 C ILE A 5 175.457 -8.057 -2.940 1.00 0.00 C ATOM 68 O ILE A 5 175.152 -8.855 -3.828 1.00 0.00 O ATOM 69 CB ILE A 5 175.003 -5.840 -4.007 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.610 -4.505 -4.440 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.794 -5.615 -3.110 1.00 0.00 C ATOM 72 CD1 ILE A 5 176.054 -4.482 -5.886 1.00 0.00 C ATOM 0 H ILE A 5 177.176 -7.484 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 5 176.352 -6.195 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 5 174.672 -6.374 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.877 -3.714 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.465 -4.280 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.058 -5.008 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.352 -6.576 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.106 -5.099 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 5 176.474 -3.504 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 5 176.810 -5.250 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 5 175.198 -4.675 -6.533 1.00 0.00 H new ATOM 84 N THR A 6 175.286 -8.313 -1.647 1.00 0.00 N ATOM 85 CA THR A 6 174.717 -9.575 -1.184 1.00 0.00 C ATOM 86 C THR A 6 173.742 -9.338 -0.035 1.00 0.00 C ATOM 87 O THR A 6 174.148 -9.190 1.118 1.00 0.00 O ATOM 88 CB THR A 6 175.829 -10.528 -0.740 1.00 0.00 C ATOM 89 OG1 THR A 6 176.735 -10.768 -1.801 1.00 0.00 O ATOM 90 CG2 THR A 6 175.315 -11.868 -0.263 1.00 0.00 C ATOM 0 H THR A 6 175.533 -7.663 -0.900 1.00 0.00 H new ATOM 0 HA THR A 6 174.172 -10.028 -2.012 1.00 0.00 H new ATOM 0 HB THR A 6 176.321 -10.029 0.095 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.440 -11.378 -1.498 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.155 -12.494 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.651 -11.721 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 6 174.768 -12.356 -1.070 1.00 0.00 H new ATOM 98 N SER A 7 172.452 -9.301 -0.357 1.00 0.00 N ATOM 99 CA SER A 7 171.416 -9.078 0.645 1.00 0.00 C ATOM 100 C SER A 7 170.993 -10.391 1.298 1.00 0.00 C ATOM 101 O SER A 7 171.101 -11.459 0.697 1.00 0.00 O ATOM 102 CB SER A 7 170.205 -8.399 0.006 1.00 0.00 C ATOM 103 OG SER A 7 170.479 -7.038 -0.285 1.00 0.00 O ATOM 0 H SER A 7 172.099 -9.423 -1.306 1.00 0.00 H new ATOM 0 HA SER A 7 171.826 -8.428 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.932 -8.922 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.350 -8.466 0.678 1.00 0.00 H new ATOM 0 HG SER A 7 169.827 -6.468 0.174 1.00 0.00 H new ATOM 109 N LYS A 8 170.506 -10.301 2.534 1.00 0.00 N ATOM 110 CA LYS A 8 170.061 -11.480 3.270 1.00 0.00 C ATOM 111 C LYS A 8 168.770 -12.035 2.673 1.00 0.00 C ATOM 112 O LYS A 8 168.517 -13.238 2.725 1.00 0.00 O ATOM 113 CB LYS A 8 169.847 -11.134 4.747 1.00 0.00 C ATOM 114 CG LYS A 8 169.318 -12.296 5.576 1.00 0.00 C ATOM 115 CD LYS A 8 170.338 -12.760 6.606 1.00 0.00 C ATOM 116 CE LYS A 8 170.692 -11.649 7.581 1.00 0.00 C ATOM 117 NZ LYS A 8 169.950 -11.777 8.865 1.00 0.00 N ATOM 0 H LYS A 8 170.410 -9.424 3.046 1.00 0.00 H new ATOM 0 HA LYS A 8 170.835 -12.243 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 8 170.792 -10.796 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.149 -10.300 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 8 168.401 -11.995 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 8 169.061 -13.126 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 8 169.940 -13.613 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 8 171.240 -13.101 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 8 171.764 -11.668 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 8 170.468 -10.683 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 170.220 -11.000 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 168.927 -11.734 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 170.183 -12.687 9.311 1.00 0.00 H new ATOM 131 N GLN A 9 167.961 -11.146 2.106 1.00 0.00 N ATOM 132 CA GLN A 9 166.698 -11.541 1.495 1.00 0.00 C ATOM 133 C GLN A 9 166.047 -10.365 0.768 1.00 0.00 C ATOM 134 O GLN A 9 165.373 -10.548 -0.246 1.00 0.00 O ATOM 135 CB GLN A 9 165.743 -12.100 2.559 1.00 0.00 C ATOM 136 CG GLN A 9 165.222 -11.057 3.538 1.00 0.00 C ATOM 137 CD GLN A 9 165.873 -11.158 4.903 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.743 -10.205 5.213 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 165.595 -12.080 5.670 1.00 0.00 N flip ATOM 0 H GLN A 9 168.158 -10.146 2.057 1.00 0.00 H new ATOM 0 HA GLN A 9 166.907 -12.320 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.895 -12.569 2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 9 166.257 -12.882 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.397 -10.062 3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 9 164.143 -11.172 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 9 164.920 -12.791 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.040 -12.133 6.586 1.00 0.00 H new ATOM 148 N MET A 10 166.250 -9.162 1.295 1.00 0.00 N ATOM 149 CA MET A 10 165.681 -7.958 0.703 1.00 0.00 C ATOM 150 C MET A 10 166.478 -7.523 -0.523 1.00 0.00 C ATOM 151 O MET A 10 167.590 -7.005 -0.406 1.00 0.00 O ATOM 152 CB MET A 10 165.644 -6.833 1.740 1.00 0.00 C ATOM 153 CG MET A 10 164.926 -5.585 1.258 1.00 0.00 C ATOM 154 SD MET A 10 163.241 -5.922 0.711 1.00 0.00 S ATOM 155 CE MET A 10 162.823 -4.368 -0.073 1.00 0.00 C ATOM 0 H MET A 10 166.806 -8.995 2.134 1.00 0.00 H new ATOM 0 HA MET A 10 164.663 -8.180 0.382 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.154 -7.198 2.643 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.665 -6.571 2.016 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.903 -4.850 2.063 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.489 -5.141 0.437 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.986 -4.518 -0.755 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.544 -3.640 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.684 -3.999 -0.630 1.00 0.00 H new ATOM 165 N GLU A 11 165.902 -7.740 -1.703 1.00 0.00 N ATOM 166 CA GLU A 11 166.554 -7.377 -2.958 1.00 0.00 C ATOM 167 C GLU A 11 166.789 -5.870 -3.041 1.00 0.00 C ATOM 168 O GLU A 11 166.317 -5.109 -2.198 1.00 0.00 O ATOM 169 CB GLU A 11 165.708 -7.838 -4.148 1.00 0.00 C ATOM 170 CG GLU A 11 164.425 -7.041 -4.331 1.00 0.00 C ATOM 171 CD GLU A 11 163.293 -7.878 -4.896 1.00 0.00 C ATOM 172 OE1 GLU A 11 163.306 -8.144 -6.116 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.395 -8.264 -4.121 1.00 0.00 O ATOM 0 H GLU A 11 164.982 -8.167 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 11 167.522 -7.877 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.305 -7.763 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.456 -8.890 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.120 -6.625 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.617 -6.199 -4.996 1.00 0.00 H new ATOM 180 N ILE A 12 167.522 -5.449 -4.069 1.00 0.00 N ATOM 181 CA ILE A 12 167.823 -4.036 -4.269 1.00 0.00 C ATOM 182 C ILE A 12 166.961 -3.446 -5.381 1.00 0.00 C ATOM 183 O ILE A 12 167.299 -3.549 -6.561 1.00 0.00 O ATOM 184 CB ILE A 12 169.308 -3.810 -4.622 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.184 -4.913 -4.014 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.763 -2.443 -4.136 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.170 -4.929 -2.502 1.00 0.00 C ATOM 0 H ILE A 12 167.918 -6.068 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 12 167.603 -3.535 -3.326 1.00 0.00 H new ATOM 0 HB ILE A 12 169.414 -3.849 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.844 -5.881 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.210 -4.783 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.812 -2.297 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.162 -1.669 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.641 -2.382 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.810 -5.734 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.538 -3.975 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.151 -5.090 -2.149 1.00 0.00 H new ATOM 199 N THR A 13 165.848 -2.826 -5.001 1.00 0.00 N ATOM 200 CA THR A 13 164.945 -2.219 -5.969 1.00 0.00 C ATOM 201 C THR A 13 165.647 -1.097 -6.732 1.00 0.00 C ATOM 202 O THR A 13 166.629 -0.532 -6.250 1.00 0.00 O ATOM 203 CB THR A 13 163.702 -1.675 -5.262 1.00 0.00 C ATOM 204 OG1 THR A 13 164.012 -0.497 -4.542 1.00 0.00 O ATOM 205 CG2 THR A 13 163.087 -2.659 -4.290 1.00 0.00 C ATOM 0 H THR A 13 165.551 -2.732 -4.030 1.00 0.00 H new ATOM 0 HA THR A 13 164.641 -2.985 -6.683 1.00 0.00 H new ATOM 0 HB THR A 13 162.982 -1.476 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.691 0.284 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.210 -2.210 -3.824 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.791 -3.562 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 13 163.816 -2.915 -3.521 1.00 0.00 H new ATOM 213 N PRO A 14 165.158 -0.758 -7.937 1.00 0.00 N ATOM 214 CA PRO A 14 165.748 0.300 -8.762 1.00 0.00 C ATOM 215 C PRO A 14 165.948 1.599 -7.986 1.00 0.00 C ATOM 216 O PRO A 14 166.953 2.291 -8.166 1.00 0.00 O ATOM 217 CB PRO A 14 164.729 0.501 -9.897 1.00 0.00 C ATOM 218 CG PRO A 14 163.514 -0.270 -9.491 1.00 0.00 C ATOM 219 CD PRO A 14 163.998 -1.371 -8.595 1.00 0.00 C ATOM 0 HA PRO A 14 166.741 0.024 -9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.496 1.557 -10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.124 0.139 -10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.802 0.371 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 14 163.000 -0.675 -10.363 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.237 -1.673 -7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.275 -2.261 -9.159 1.00 0.00 H new ATOM 227 N ALA A 15 164.991 1.925 -7.125 1.00 0.00 N ATOM 228 CA ALA A 15 165.067 3.143 -6.323 1.00 0.00 C ATOM 229 C ALA A 15 166.133 3.023 -5.239 1.00 0.00 C ATOM 230 O ALA A 15 166.973 3.908 -5.079 1.00 0.00 O ATOM 231 CB ALA A 15 163.713 3.452 -5.704 1.00 0.00 C ATOM 0 H ALA A 15 164.154 1.365 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 15 165.349 3.965 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 15 163.784 4.362 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 15 162.975 3.592 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.408 2.624 -5.065 1.00 0.00 H new ATOM 237 N ILE A 16 166.091 1.922 -4.495 1.00 0.00 N ATOM 238 CA ILE A 16 167.051 1.686 -3.423 1.00 0.00 C ATOM 239 C ILE A 16 168.457 1.478 -3.979 1.00 0.00 C ATOM 240 O ILE A 16 169.422 2.060 -3.484 1.00 0.00 O ATOM 241 CB ILE A 16 166.651 0.463 -2.573 1.00 0.00 C ATOM 242 CG1 ILE A 16 165.244 0.654 -2.009 1.00 0.00 C ATOM 243 CG2 ILE A 16 167.653 0.245 -1.446 1.00 0.00 C ATOM 244 CD1 ILE A 16 164.761 -0.515 -1.179 1.00 0.00 C ATOM 0 H ILE A 16 165.402 1.179 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 16 167.047 2.573 -2.789 1.00 0.00 H new ATOM 0 HB ILE A 16 166.655 -0.422 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 16 165.226 1.556 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 16 164.550 0.815 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 16 167.355 -0.622 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 168.643 0.074 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 16 167.679 1.127 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 16 163.756 -0.310 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 16 164.746 -1.416 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 16 165.433 -0.663 -0.334 1.00 0.00 H new ATOM 256 N ARG A 17 168.566 0.646 -5.011 1.00 0.00 N ATOM 257 CA ARG A 17 169.856 0.365 -5.632 1.00 0.00 C ATOM 258 C ARG A 17 170.544 1.663 -6.056 1.00 0.00 C ATOM 259 O ARG A 17 171.738 1.847 -5.826 1.00 0.00 O ATOM 260 CB ARG A 17 169.668 -0.576 -6.835 1.00 0.00 C ATOM 261 CG ARG A 17 170.698 -0.393 -7.945 1.00 0.00 C ATOM 262 CD ARG A 17 170.374 -1.255 -9.156 1.00 0.00 C ATOM 263 NE ARG A 17 170.475 -0.500 -10.402 1.00 0.00 N ATOM 264 CZ ARG A 17 171.610 0.018 -10.867 1.00 0.00 C ATOM 265 NH1 ARG A 17 172.745 -0.142 -10.196 1.00 0.00 N ATOM 266 NH2 ARG A 17 171.611 0.698 -12.007 1.00 0.00 N ATOM 0 H ARG A 17 167.778 0.156 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 17 170.497 -0.130 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 17 169.709 -1.607 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 17 168.672 -0.420 -7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 17 170.732 0.655 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 17 171.688 -0.650 -7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 17 171.055 -2.105 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.366 -1.658 -9.056 1.00 0.00 H new ATOM 0 HE ARG A 17 169.625 -0.361 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 17 172.750 -0.664 -9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 17 173.611 0.257 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 17 170.742 0.824 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 17 172.480 1.095 -12.363 1.00 0.00 H new ATOM 280 N GLN A 18 169.780 2.558 -6.677 1.00 0.00 N ATOM 281 CA GLN A 18 170.320 3.836 -7.128 1.00 0.00 C ATOM 282 C GLN A 18 170.821 4.662 -5.948 1.00 0.00 C ATOM 283 O GLN A 18 171.862 5.312 -6.031 1.00 0.00 O ATOM 284 CB GLN A 18 169.255 4.622 -7.898 1.00 0.00 C ATOM 285 CG GLN A 18 169.772 5.924 -8.489 1.00 0.00 C ATOM 286 CD GLN A 18 170.872 5.705 -9.510 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.680 5.007 -10.505 1.00 0.00 O ATOM 288 NE2 GLN A 18 172.032 6.302 -9.266 1.00 0.00 N ATOM 0 H GLN A 18 168.789 2.422 -6.878 1.00 0.00 H new ATOM 0 HA GLN A 18 171.161 3.632 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.864 3.998 -8.701 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.422 4.841 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.946 6.458 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 18 170.147 6.559 -7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 18 172.146 6.872 -8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 18 172.810 6.191 -9.917 1.00 0.00 H new ATOM 297 N HIS A 19 170.073 4.630 -4.850 1.00 0.00 N ATOM 298 CA HIS A 19 170.440 5.376 -3.651 1.00 0.00 C ATOM 299 C HIS A 19 171.808 4.939 -3.131 1.00 0.00 C ATOM 300 O HIS A 19 172.687 5.768 -2.902 1.00 0.00 O ATOM 301 CB HIS A 19 169.377 5.187 -2.565 1.00 0.00 C ATOM 302 CG HIS A 19 168.884 6.474 -1.976 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.016 7.321 -2.632 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.142 7.056 -0.780 1.00 0.00 C ATOM 305 CE1 HIS A 19 167.761 8.367 -1.866 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.431 8.230 -0.738 1.00 0.00 N ATOM 0 H HIS A 19 169.209 4.095 -4.765 1.00 0.00 H new ATOM 0 HA HIS A 19 170.497 6.433 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.532 4.643 -2.987 1.00 0.00 H new ATOM 0 HB3 HIS A 19 169.790 4.567 -1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 19 169.786 6.669 -0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.114 9.194 -2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.422 8.890 0.040 1.00 0.00 H new ATOM 315 N VAL A 20 171.979 3.633 -2.949 1.00 0.00 N ATOM 316 CA VAL A 20 173.241 3.091 -2.458 1.00 0.00 C ATOM 317 C VAL A 20 174.369 3.332 -3.457 1.00 0.00 C ATOM 318 O VAL A 20 175.406 3.897 -3.115 1.00 0.00 O ATOM 319 CB VAL A 20 173.136 1.577 -2.174 1.00 0.00 C ATOM 320 CG1 VAL A 20 174.485 1.013 -1.749 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.082 1.302 -1.114 1.00 0.00 C ATOM 0 H VAL A 20 171.261 2.932 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 20 173.465 3.611 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 20 172.833 1.078 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 20 174.388 -0.055 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.213 1.172 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.822 1.518 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.024 0.229 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 20 172.351 1.816 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 20 171.114 1.663 -1.461 1.00 0.00 H new ATOM 331 N ALA A 21 174.157 2.892 -4.695 1.00 0.00 N ATOM 332 CA ALA A 21 175.156 3.052 -5.747 1.00 0.00 C ATOM 333 C ALA A 21 175.628 4.499 -5.851 1.00 0.00 C ATOM 334 O ALA A 21 176.824 4.763 -5.971 1.00 0.00 O ATOM 335 CB ALA A 21 174.596 2.580 -7.081 1.00 0.00 C ATOM 0 H ALA A 21 173.302 2.422 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 21 176.018 2.438 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.351 2.705 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.321 1.528 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.714 3.169 -7.334 1.00 0.00 H new ATOM 341 N ASP A 22 174.684 5.433 -5.805 1.00 0.00 N ATOM 342 CA ASP A 22 175.007 6.852 -5.892 1.00 0.00 C ATOM 343 C ASP A 22 175.942 7.264 -4.760 1.00 0.00 C ATOM 344 O ASP A 22 176.907 7.998 -4.972 1.00 0.00 O ATOM 345 CB ASP A 22 173.731 7.693 -5.848 1.00 0.00 C ATOM 346 CG ASP A 22 174.007 9.171 -6.055 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.611 9.524 -7.090 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.618 9.975 -5.182 1.00 0.00 O ATOM 0 H ASP A 22 173.689 5.232 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 22 175.513 7.027 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.042 7.343 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.237 7.549 -4.887 1.00 0.00 H new ATOM 353 N ARG A 23 175.648 6.785 -3.556 1.00 0.00 N ATOM 354 CA ARG A 23 176.460 7.102 -2.387 1.00 0.00 C ATOM 355 C ARG A 23 177.806 6.389 -2.450 1.00 0.00 C ATOM 356 O ARG A 23 178.858 7.014 -2.302 1.00 0.00 O ATOM 357 CB ARG A 23 175.722 6.709 -1.107 1.00 0.00 C ATOM 358 CG ARG A 23 176.037 7.609 0.080 1.00 0.00 C ATOM 359 CD ARG A 23 174.808 8.368 0.555 1.00 0.00 C ATOM 360 NE ARG A 23 174.932 9.806 0.327 1.00 0.00 N ATOM 361 CZ ARG A 23 174.087 10.710 0.819 1.00 0.00 C ATOM 362 NH1 ARG A 23 173.055 10.330 1.562 1.00 0.00 N ATOM 363 NH2 ARG A 23 174.274 11.998 0.567 1.00 0.00 N ATOM 0 H ARG A 23 174.853 6.175 -3.364 1.00 0.00 H new ATOM 0 HA ARG A 23 176.639 8.177 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 23 174.649 6.732 -1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 23 175.979 5.681 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 23 176.431 7.007 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.817 8.318 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 23 173.927 7.993 0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 23 174.655 8.181 1.618 1.00 0.00 H new ATOM 0 HE ARG A 23 175.711 10.137 -0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 23 172.905 9.340 1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 23 172.411 11.027 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 23 175.065 12.296 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 23 173.627 12.691 0.944 1.00 0.00 H new ATOM 377 N LEU A 24 177.769 5.079 -2.673 1.00 0.00 N ATOM 378 CA LEU A 24 178.990 4.284 -2.756 1.00 0.00 C ATOM 379 C LEU A 24 179.887 4.777 -3.886 1.00 0.00 C ATOM 380 O LEU A 24 181.108 4.819 -3.747 1.00 0.00 O ATOM 381 CB LEU A 24 178.651 2.807 -2.970 1.00 0.00 C ATOM 382 CG LEU A 24 179.849 1.856 -2.904 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.042 1.339 -1.486 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.666 0.698 -3.878 1.00 0.00 C ATOM 0 H LEU A 24 176.909 4.546 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 24 179.527 4.395 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.923 2.504 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.171 2.696 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 24 180.744 2.408 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 24 180.898 0.665 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.219 2.178 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.147 0.803 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.527 0.032 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.762 0.146 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.578 1.086 -4.893 1.00 0.00 H new ATOM 396 N ALA A 25 179.273 5.143 -5.005 1.00 0.00 N ATOM 397 CA ALA A 25 180.017 5.630 -6.161 1.00 0.00 C ATOM 398 C ALA A 25 180.702 6.958 -5.857 1.00 0.00 C ATOM 399 O ALA A 25 181.919 7.084 -5.987 1.00 0.00 O ATOM 400 CB ALA A 25 179.094 5.774 -7.361 1.00 0.00 C ATOM 0 H ALA A 25 178.262 5.112 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 25 180.790 4.899 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.663 6.138 -8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.657 4.805 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.299 6.482 -7.126 1.00 0.00 H new ATOM 406 N LYS A 26 179.911 7.948 -5.452 1.00 0.00 N ATOM 407 CA LYS A 26 180.442 9.269 -5.130 1.00 0.00 C ATOM 408 C LYS A 26 181.568 9.179 -4.103 1.00 0.00 C ATOM 409 O LYS A 26 182.438 10.049 -4.044 1.00 0.00 O ATOM 410 CB LYS A 26 179.323 10.172 -4.602 1.00 0.00 C ATOM 411 CG LYS A 26 178.904 11.254 -5.582 1.00 0.00 C ATOM 412 CD LYS A 26 177.748 12.080 -5.039 1.00 0.00 C ATOM 413 CE LYS A 26 176.475 11.255 -4.932 1.00 0.00 C ATOM 414 NZ LYS A 26 175.342 12.050 -4.384 1.00 0.00 N ATOM 0 H LYS A 26 178.901 7.861 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 26 180.851 9.699 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.456 9.558 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.652 10.641 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 26 179.752 11.906 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.613 10.797 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.011 12.474 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.574 12.936 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 26 176.207 10.872 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 26 176.655 10.391 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 174.452 11.532 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 175.488 12.207 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 175.293 12.967 -4.873 1.00 0.00 H new ATOM 428 N LEU A 27 181.549 8.124 -3.296 1.00 0.00 N ATOM 429 CA LEU A 27 182.570 7.926 -2.272 1.00 0.00 C ATOM 430 C LEU A 27 183.934 7.633 -2.896 1.00 0.00 C ATOM 431 O LEU A 27 184.962 7.726 -2.223 1.00 0.00 O ATOM 432 CB LEU A 27 182.164 6.786 -1.333 1.00 0.00 C ATOM 433 CG LEU A 27 182.122 7.154 0.149 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.090 6.308 0.880 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.497 6.984 0.780 1.00 0.00 C ATOM 0 H LEU A 27 180.839 7.393 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 27 182.653 8.849 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.180 6.424 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.862 5.959 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 27 181.831 8.201 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.074 6.584 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.105 6.479 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.350 5.254 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.448 7.251 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.817 5.946 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.212 7.633 0.275 1.00 0.00 H new ATOM 447 N GLU A 28 183.944 7.279 -4.178 1.00 0.00 N ATOM 448 CA GLU A 28 185.191 6.975 -4.871 1.00 0.00 C ATOM 449 C GLU A 28 186.090 8.208 -4.965 1.00 0.00 C ATOM 450 O GLU A 28 187.282 8.095 -5.250 1.00 0.00 O ATOM 451 CB GLU A 28 184.903 6.414 -6.271 1.00 0.00 C ATOM 452 CG GLU A 28 184.590 7.472 -7.319 1.00 0.00 C ATOM 453 CD GLU A 28 184.489 6.894 -8.717 1.00 0.00 C ATOM 454 OE1 GLU A 28 185.489 6.317 -9.193 1.00 0.00 O ATOM 455 OE2 GLU A 28 183.411 7.019 -9.335 1.00 0.00 O ATOM 0 H GLU A 28 183.107 7.196 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 28 185.720 6.219 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 28 185.766 5.836 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.062 5.723 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 28 183.651 7.964 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 28 185.366 8.237 -7.301 1.00 0.00 H new ATOM 462 N LYS A 29 185.515 9.384 -4.726 1.00 0.00 N ATOM 463 CA LYS A 29 186.271 10.630 -4.786 1.00 0.00 C ATOM 464 C LYS A 29 186.792 11.030 -3.407 1.00 0.00 C ATOM 465 O LYS A 29 187.068 12.203 -3.157 1.00 0.00 O ATOM 466 CB LYS A 29 185.400 11.750 -5.359 1.00 0.00 C ATOM 467 CG LYS A 29 185.414 11.815 -6.878 1.00 0.00 C ATOM 468 CD LYS A 29 186.085 13.084 -7.379 1.00 0.00 C ATOM 469 CE LYS A 29 186.056 13.170 -8.896 1.00 0.00 C ATOM 470 NZ LYS A 29 186.641 11.956 -9.533 1.00 0.00 N ATOM 0 H LYS A 29 184.530 9.499 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 29 187.128 10.470 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.374 11.611 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.741 12.705 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.937 10.945 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 29 184.392 11.771 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.583 13.954 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 29 187.118 13.112 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 29 185.027 13.297 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 29 186.608 14.052 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 186.790 12.134 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 187.552 11.732 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 185.990 11.154 -9.414 1.00 0.00 H new ATOM 484 N TRP A 30 186.932 10.050 -2.519 1.00 0.00 N ATOM 485 CA TRP A 30 187.427 10.308 -1.171 1.00 0.00 C ATOM 486 C TRP A 30 188.916 9.988 -1.073 1.00 0.00 C ATOM 487 O TRP A 30 189.394 9.504 -0.049 1.00 0.00 O ATOM 488 CB TRP A 30 186.647 9.476 -0.149 1.00 0.00 C ATOM 489 CG TRP A 30 185.534 10.230 0.510 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.342 10.591 -0.052 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.509 10.720 1.855 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.576 11.272 0.864 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.272 11.365 2.042 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.413 10.673 2.920 1.00 0.00 C ATOM 495 CZ2 TRP A 30 183.918 11.958 3.251 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.059 11.263 4.119 1.00 0.00 C ATOM 497 CH2 TRP A 30 184.821 11.897 4.276 1.00 0.00 C ATOM 0 H TRP A 30 186.710 9.072 -2.708 1.00 0.00 H new ATOM 0 HA TRP A 30 187.282 11.366 -0.952 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.236 8.597 -0.646 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.335 9.117 0.616 1.00 0.00 H new ATOM 0 HD1 TRP A 30 184.045 10.373 -1.067 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.643 11.647 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.370 10.185 2.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 182.964 12.449 3.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 186.750 11.234 4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 30 184.574 12.347 5.226 1.00 0.00 H new ATOM 508 N GLN A 31 189.645 10.251 -2.153 1.00 0.00 N ATOM 509 CA GLN A 31 191.081 9.987 -2.193 1.00 0.00 C ATOM 510 C GLN A 31 191.392 8.496 -2.038 1.00 0.00 C ATOM 511 O GLN A 31 192.557 8.097 -2.051 1.00 0.00 O ATOM 512 CB GLN A 31 191.793 10.784 -1.096 1.00 0.00 C ATOM 513 CG GLN A 31 192.588 11.967 -1.623 1.00 0.00 C ATOM 514 CD GLN A 31 193.669 11.552 -2.603 1.00 0.00 C ATOM 515 OE1 GLN A 31 194.037 10.379 -2.680 1.00 0.00 O ATOM 516 NE2 GLN A 31 194.184 12.515 -3.359 1.00 0.00 N ATOM 0 H GLN A 31 189.266 10.647 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 31 191.446 10.303 -3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.053 11.144 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.464 10.119 -0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 31 191.910 12.668 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.045 12.495 -0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 31 193.849 13.474 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 31 194.914 12.296 -4.037 1.00 0.00 H new ATOM 525 N THR A 32 190.357 7.672 -1.889 1.00 0.00 N ATOM 526 CA THR A 32 190.544 6.234 -1.732 1.00 0.00 C ATOM 527 C THR A 32 190.576 5.536 -3.087 1.00 0.00 C ATOM 528 O THR A 32 190.362 6.162 -4.125 1.00 0.00 O ATOM 529 CB THR A 32 189.427 5.644 -0.868 1.00 0.00 C ATOM 530 OG1 THR A 32 188.872 6.635 -0.021 1.00 0.00 O ATOM 531 CG2 THR A 32 189.890 4.499 0.005 1.00 0.00 C ATOM 0 H THR A 32 189.383 7.976 -1.874 1.00 0.00 H new ATOM 0 HA THR A 32 191.502 6.071 -1.238 1.00 0.00 H new ATOM 0 HB THR A 32 188.685 5.266 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 32 187.929 6.430 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 32 189.050 4.126 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 32 190.279 3.697 -0.623 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.675 4.847 0.676 1.00 0.00 H new ATOM 539 N HIS A 33 190.847 4.235 -3.069 1.00 0.00 N ATOM 540 CA HIS A 33 190.909 3.449 -4.297 1.00 0.00 C ATOM 541 C HIS A 33 189.954 2.255 -4.247 1.00 0.00 C ATOM 542 O HIS A 33 189.947 1.430 -5.159 1.00 0.00 O ATOM 543 CB HIS A 33 192.340 2.966 -4.540 1.00 0.00 C ATOM 544 CG HIS A 33 193.336 4.080 -4.640 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.577 5.129 -3.815 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 194.224 4.208 -5.687 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 194.595 5.859 -4.374 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 194.969 5.283 -5.502 1.00 0.00 N flip ATOM 0 H HIS A 33 191.027 3.702 -2.218 1.00 0.00 H new ATOM 0 HA HIS A 33 190.599 4.092 -5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.633 2.299 -3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.367 2.381 -5.459 1.00 0.00 H new ATOM 0 HD2 HIS A 33 194.299 3.534 -6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.022 6.760 -3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 33 195.707 5.612 -6.124 1.00 0.00 H new ATOM 557 N LEU A 34 189.157 2.175 -3.169 1.00 0.00 N ATOM 558 CA LEU A 34 188.179 1.092 -2.958 1.00 0.00 C ATOM 559 C LEU A 34 188.131 0.104 -4.125 1.00 0.00 C ATOM 560 O LEU A 34 187.775 0.467 -5.245 1.00 0.00 O ATOM 561 CB LEU A 34 186.773 1.666 -2.726 1.00 0.00 C ATOM 562 CG LEU A 34 186.712 3.111 -2.212 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.061 4.018 -3.245 1.00 0.00 C ATOM 564 CD2 LEU A 34 185.956 3.175 -0.894 1.00 0.00 C ATOM 0 H LEU A 34 189.172 2.862 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 34 188.511 0.550 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.221 1.612 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.254 1.026 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 34 187.731 3.460 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.026 5.038 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.642 3.995 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 34 185.047 3.671 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 34 185.922 4.207 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 184.940 2.808 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.463 2.557 -0.153 1.00 0.00 H new ATOM 576 N ILE A 35 188.492 -1.146 -3.850 1.00 0.00 N ATOM 577 CA ILE A 35 188.494 -2.182 -4.878 1.00 0.00 C ATOM 578 C ILE A 35 187.334 -3.159 -4.698 1.00 0.00 C ATOM 579 O ILE A 35 186.645 -3.496 -5.661 1.00 0.00 O ATOM 580 CB ILE A 35 189.817 -2.973 -4.874 1.00 0.00 C ATOM 581 CG1 ILE A 35 191.009 -2.017 -4.819 1.00 0.00 C ATOM 582 CG2 ILE A 35 189.902 -3.867 -6.103 1.00 0.00 C ATOM 583 CD1 ILE A 35 192.310 -2.695 -4.452 1.00 0.00 C ATOM 0 H ILE A 35 188.786 -1.465 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 35 188.381 -1.669 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 35 189.843 -3.605 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.122 -1.533 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.801 -1.231 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.841 -4.419 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.068 -4.569 -6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 35 189.857 -3.254 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 35 193.112 -1.957 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 35 192.216 -3.155 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.541 -3.462 -5.191 1.00 0.00 H new ATOM 595 N ASN A 36 187.132 -3.621 -3.469 1.00 0.00 N ATOM 596 CA ASN A 36 186.062 -4.572 -3.180 1.00 0.00 C ATOM 597 C ASN A 36 184.960 -3.936 -2.332 1.00 0.00 C ATOM 598 O ASN A 36 184.917 -4.126 -1.116 1.00 0.00 O ATOM 599 CB ASN A 36 186.631 -5.798 -2.461 1.00 0.00 C ATOM 600 CG ASN A 36 186.655 -7.027 -3.334 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.431 -8.142 -2.861 1.00 0.00 O ATOM 602 ND2 ASN A 36 186.926 -6.838 -4.609 1.00 0.00 N ATOM 0 H ASN A 36 187.692 -3.355 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 36 185.621 -4.878 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.644 -5.578 -2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.035 -6.001 -1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 36 186.957 -7.633 -5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 36 187.105 -5.897 -4.958 1.00 0.00 H new ATOM 609 N PRO A 37 184.054 -3.173 -2.964 1.00 0.00 N ATOM 610 CA PRO A 37 182.952 -2.513 -2.265 1.00 0.00 C ATOM 611 C PRO A 37 181.758 -3.440 -2.053 1.00 0.00 C ATOM 612 O PRO A 37 180.902 -3.574 -2.927 1.00 0.00 O ATOM 613 CB PRO A 37 182.586 -1.380 -3.220 1.00 0.00 C ATOM 614 CG PRO A 37 182.871 -1.933 -4.573 1.00 0.00 C ATOM 615 CD PRO A 37 184.031 -2.886 -4.412 1.00 0.00 C ATOM 0 HA PRO A 37 183.231 -2.185 -1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.538 -1.097 -3.119 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.178 -0.486 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.998 -2.449 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.119 -1.136 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.887 -3.794 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.967 -2.437 -4.746 1.00 0.00 H new ATOM 623 N HIS A 38 181.704 -4.076 -0.887 1.00 0.00 N ATOM 624 CA HIS A 38 180.614 -4.989 -0.561 1.00 0.00 C ATOM 625 C HIS A 38 179.416 -4.225 -0.006 1.00 0.00 C ATOM 626 O HIS A 38 179.575 -3.246 0.723 1.00 0.00 O ATOM 627 CB HIS A 38 181.085 -6.034 0.453 1.00 0.00 C ATOM 628 CG HIS A 38 180.822 -7.446 0.027 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.824 -8.375 -0.158 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.661 -8.088 -0.250 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.293 -9.525 -0.530 1.00 0.00 C ATOM 632 NE2 HIS A 38 179.982 -9.378 -0.593 1.00 0.00 N ATOM 0 H HIS A 38 182.403 -3.976 -0.151 1.00 0.00 H new ATOM 0 HA HIS A 38 180.307 -5.495 -1.476 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.154 -5.908 0.622 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.588 -5.853 1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.669 -7.664 -0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.838 -10.432 -0.746 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.316 -10.105 -0.854 1.00 0.00 H new ATOM 641 N ILE A 39 178.214 -4.678 -0.355 1.00 0.00 N ATOM 642 CA ILE A 39 176.993 -4.029 0.113 1.00 0.00 C ATOM 643 C ILE A 39 175.901 -5.046 0.421 1.00 0.00 C ATOM 644 O ILE A 39 175.352 -5.680 -0.479 1.00 0.00 O ATOM 645 CB ILE A 39 176.464 -3.017 -0.920 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.579 -2.041 -1.316 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.255 -2.275 -0.360 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.079 -0.721 -1.864 1.00 0.00 C ATOM 0 H ILE A 39 178.060 -5.487 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 39 177.253 -3.501 1.030 1.00 0.00 H new ATOM 0 HB ILE A 39 176.145 -3.551 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.204 -1.847 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 39 178.214 -2.516 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.891 -1.563 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.466 -2.990 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.543 -1.742 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 39 177.929 -0.088 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.479 -0.901 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 39 176.469 -0.222 -1.111 1.00 0.00 H new ATOM 660 N ILE A 40 175.583 -5.188 1.702 1.00 0.00 N ATOM 661 CA ILE A 40 174.550 -6.118 2.137 1.00 0.00 C ATOM 662 C ILE A 40 173.315 -5.365 2.623 1.00 0.00 C ATOM 663 O ILE A 40 173.324 -4.771 3.701 1.00 0.00 O ATOM 664 CB ILE A 40 175.059 -7.041 3.263 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.365 -7.717 2.842 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.004 -8.080 3.619 1.00 0.00 C ATOM 667 CD1 ILE A 40 176.932 -8.645 3.894 1.00 0.00 C ATOM 0 H ILE A 40 176.028 -4.669 2.459 1.00 0.00 H new ATOM 0 HA ILE A 40 174.286 -6.731 1.275 1.00 0.00 H new ATOM 0 HB ILE A 40 175.253 -6.437 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.193 -8.282 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.103 -6.950 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.380 -8.723 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.098 -7.577 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.778 -8.685 2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 40 177.857 -9.089 3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.136 -8.082 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.212 -9.434 4.109 1.00 0.00 H new ATOM 679 N LEU A 41 172.257 -5.389 1.820 1.00 0.00 N ATOM 680 CA LEU A 41 171.018 -4.702 2.169 1.00 0.00 C ATOM 681 C LEU A 41 169.943 -5.696 2.601 1.00 0.00 C ATOM 682 O LEU A 41 169.311 -6.343 1.767 1.00 0.00 O ATOM 683 CB LEU A 41 170.521 -3.878 0.980 1.00 0.00 C ATOM 684 CG LEU A 41 169.164 -3.197 1.183 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.246 -1.719 0.837 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.092 -3.883 0.345 1.00 0.00 C ATOM 0 H LEU A 41 172.232 -5.876 0.924 1.00 0.00 H new ATOM 0 HA LEU A 41 171.224 -4.036 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.263 -3.113 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.456 -4.529 0.108 1.00 0.00 H new ATOM 0 HG LEU A 41 168.891 -3.287 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.271 -1.255 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.982 -1.235 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.544 -1.605 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.135 -3.386 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.362 -3.826 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.011 -4.928 0.643 1.00 0.00 H new ATOM 698 N SER A 42 169.741 -5.815 3.907 1.00 0.00 N ATOM 699 CA SER A 42 168.744 -6.735 4.441 1.00 0.00 C ATOM 700 C SER A 42 167.591 -5.979 5.096 1.00 0.00 C ATOM 701 O SER A 42 167.664 -4.767 5.301 1.00 0.00 O ATOM 702 CB SER A 42 169.386 -7.685 5.454 1.00 0.00 C ATOM 703 OG SER A 42 170.579 -8.250 4.937 1.00 0.00 O ATOM 0 H SER A 42 170.253 -5.288 4.615 1.00 0.00 H new ATOM 0 HA SER A 42 168.345 -7.315 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.605 -7.146 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.684 -8.479 5.708 1.00 0.00 H new ATOM 0 HG SER A 42 171.130 -8.583 5.676 1.00 0.00 H new ATOM 709 N LYS A 43 166.533 -6.709 5.428 1.00 0.00 N ATOM 710 CA LYS A 43 165.358 -6.123 6.071 1.00 0.00 C ATOM 711 C LYS A 43 165.247 -6.606 7.516 1.00 0.00 C ATOM 712 O LYS A 43 165.029 -7.791 7.766 1.00 0.00 O ATOM 713 CB LYS A 43 164.078 -6.479 5.300 1.00 0.00 C ATOM 714 CG LYS A 43 163.320 -5.267 4.793 1.00 0.00 C ATOM 715 CD LYS A 43 161.863 -5.598 4.504 1.00 0.00 C ATOM 716 CE LYS A 43 161.142 -6.088 5.750 1.00 0.00 C ATOM 717 NZ LYS A 43 160.926 -7.562 5.723 1.00 0.00 N ATOM 0 H LYS A 43 166.463 -7.713 5.262 1.00 0.00 H new ATOM 0 HA LYS A 43 165.475 -5.039 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.338 -7.115 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.423 -7.062 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.372 -4.469 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 43 163.795 -4.893 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.359 -4.713 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.810 -6.362 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 161.722 -5.822 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.181 -5.582 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.923 -7.930 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.013 -7.771 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 161.691 -8.015 5.184 1.00 0.00 H new ATOM 731 N GLU A 44 165.404 -5.687 8.466 1.00 0.00 N ATOM 732 CA GLU A 44 165.326 -6.035 9.881 1.00 0.00 C ATOM 733 C GLU A 44 164.053 -5.477 10.519 1.00 0.00 C ATOM 734 O GLU A 44 163.649 -4.351 10.234 1.00 0.00 O ATOM 735 CB GLU A 44 166.552 -5.508 10.629 1.00 0.00 C ATOM 736 CG GLU A 44 167.486 -6.606 11.110 1.00 0.00 C ATOM 737 CD GLU A 44 167.180 -7.051 12.527 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.223 -6.201 13.439 1.00 0.00 O ATOM 739 OE2 GLU A 44 166.893 -8.252 12.722 1.00 0.00 O ATOM 0 H GLU A 44 165.585 -4.700 8.282 1.00 0.00 H new ATOM 0 HA GLU A 44 165.300 -7.122 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.104 -4.833 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.221 -4.922 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 44 167.410 -7.462 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 44 168.515 -6.251 11.059 1.00 0.00 H new ATOM 746 N PRO A 45 163.409 -6.268 11.396 1.00 0.00 N ATOM 747 CA PRO A 45 162.186 -5.876 12.090 1.00 0.00 C ATOM 748 C PRO A 45 162.150 -4.395 12.459 1.00 0.00 C ATOM 749 O PRO A 45 161.158 -3.707 12.221 1.00 0.00 O ATOM 750 CB PRO A 45 162.230 -6.709 13.376 1.00 0.00 C ATOM 751 CG PRO A 45 163.221 -7.812 13.147 1.00 0.00 C ATOM 752 CD PRO A 45 163.821 -7.623 11.779 1.00 0.00 C ATOM 0 HA PRO A 45 161.311 -6.040 11.461 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.527 -6.093 14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.245 -7.116 13.606 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.999 -7.790 13.910 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.732 -8.784 13.218 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.907 -7.719 11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.450 -8.367 11.074 1.00 0.00 H new ATOM 760 N GLN A 46 163.227 -3.927 13.076 1.00 0.00 N ATOM 761 CA GLN A 46 163.314 -2.545 13.522 1.00 0.00 C ATOM 762 C GLN A 46 164.026 -1.644 12.512 1.00 0.00 C ATOM 763 O GLN A 46 164.572 -0.605 12.884 1.00 0.00 O ATOM 764 CB GLN A 46 164.030 -2.493 14.870 1.00 0.00 C ATOM 765 CG GLN A 46 163.539 -1.379 15.781 1.00 0.00 C ATOM 766 CD GLN A 46 162.621 -1.884 16.877 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.750 -1.497 18.038 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.687 -2.756 16.512 1.00 0.00 N ATOM 0 H GLN A 46 164.055 -4.487 13.279 1.00 0.00 H new ATOM 0 HA GLN A 46 162.297 -2.165 13.620 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.900 -3.449 15.377 1.00 0.00 H new ATOM 0 HB3 GLN A 46 165.099 -2.366 14.699 1.00 0.00 H new ATOM 0 HG2 GLN A 46 164.396 -0.879 16.232 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.012 -0.633 15.186 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.616 -3.049 15.538 1.00 0.00 H new ATOM 0 HE22 GLN A 46 161.041 -3.132 17.206 1.00 0.00 H new ATOM 777 N GLY A 47 164.004 -2.024 11.235 1.00 0.00 N ATOM 778 CA GLY A 47 164.639 -1.198 10.219 1.00 0.00 C ATOM 779 C GLY A 47 165.516 -1.971 9.250 1.00 0.00 C ATOM 780 O GLY A 47 165.766 -3.164 9.427 1.00 0.00 O ATOM 0 H GLY A 47 163.564 -2.877 10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.866 -0.676 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.244 -0.436 10.711 1.00 0.00 H new ATOM 784 N PHE A 48 165.980 -1.266 8.219 1.00 0.00 N ATOM 785 CA PHE A 48 166.840 -1.840 7.191 1.00 0.00 C ATOM 786 C PHE A 48 168.253 -2.061 7.717 1.00 0.00 C ATOM 787 O PHE A 48 168.728 -1.305 8.568 1.00 0.00 O ATOM 788 CB PHE A 48 166.900 -0.899 5.985 1.00 0.00 C ATOM 789 CG PHE A 48 166.088 -1.339 4.800 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.924 -2.075 4.960 1.00 0.00 C ATOM 791 CD2 PHE A 48 166.489 -0.998 3.522 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.178 -2.460 3.859 1.00 0.00 C ATOM 793 CE2 PHE A 48 165.750 -1.380 2.422 1.00 0.00 C ATOM 794 CZ PHE A 48 164.592 -2.110 2.590 1.00 0.00 C ATOM 0 H PHE A 48 165.768 -0.279 8.075 1.00 0.00 H new ATOM 0 HA PHE A 48 166.420 -2.802 6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.558 0.088 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.940 -0.794 5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.596 -2.350 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 48 167.394 -0.424 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.273 -3.034 3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 48 166.078 -1.108 1.430 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.010 -2.407 1.730 1.00 0.00 H new ATOM 804 N VAL A 49 168.915 -3.096 7.200 1.00 0.00 N ATOM 805 CA VAL A 49 170.279 -3.426 7.604 1.00 0.00 C ATOM 806 C VAL A 49 171.270 -3.171 6.472 1.00 0.00 C ATOM 807 O VAL A 49 171.762 -4.105 5.840 1.00 0.00 O ATOM 808 CB VAL A 49 170.397 -4.899 8.032 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.724 -5.153 8.727 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.236 -5.278 8.930 1.00 0.00 C ATOM 0 H VAL A 49 168.525 -3.723 6.496 1.00 0.00 H new ATOM 0 HA VAL A 49 170.517 -2.781 8.450 1.00 0.00 H new ATOM 0 HB VAL A 49 170.361 -5.524 7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.786 -6.201 9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.542 -4.918 8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.797 -4.523 9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.331 -6.323 9.226 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.242 -4.647 9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.299 -5.137 8.392 1.00 0.00 H new ATOM 820 N ALA A 50 171.557 -1.903 6.219 1.00 0.00 N ATOM 821 CA ALA A 50 172.488 -1.530 5.159 1.00 0.00 C ATOM 822 C ALA A 50 173.928 -1.847 5.555 1.00 0.00 C ATOM 823 O ALA A 50 174.691 -0.955 5.919 1.00 0.00 O ATOM 824 CB ALA A 50 172.346 -0.052 4.825 1.00 0.00 C ATOM 0 H ALA A 50 171.161 -1.115 6.731 1.00 0.00 H new ATOM 0 HA ALA A 50 172.243 -2.117 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.047 0.211 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.328 0.149 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.561 0.544 5.712 1.00 0.00 H new ATOM 830 N ASP A 51 174.294 -3.123 5.479 1.00 0.00 N ATOM 831 CA ASP A 51 175.644 -3.550 5.831 1.00 0.00 C ATOM 832 C ASP A 51 176.579 -3.450 4.630 1.00 0.00 C ATOM 833 O ASP A 51 176.747 -4.409 3.878 1.00 0.00 O ATOM 834 CB ASP A 51 175.623 -4.985 6.365 1.00 0.00 C ATOM 835 CG ASP A 51 176.054 -5.068 7.817 1.00 0.00 C ATOM 836 OD1 ASP A 51 177.275 -5.125 8.073 1.00 0.00 O ATOM 837 OD2 ASP A 51 175.168 -5.078 8.699 1.00 0.00 O ATOM 0 H ASP A 51 173.677 -3.877 5.178 1.00 0.00 H new ATOM 0 HA ASP A 51 176.018 -2.886 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.617 -5.393 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.282 -5.606 5.757 1.00 0.00 H new ATOM 842 N ALA A 52 177.186 -2.280 4.459 1.00 0.00 N ATOM 843 CA ALA A 52 178.107 -2.048 3.352 1.00 0.00 C ATOM 844 C ALA A 52 179.557 -2.157 3.813 1.00 0.00 C ATOM 845 O ALA A 52 180.020 -1.354 4.620 1.00 0.00 O ATOM 846 CB ALA A 52 177.852 -0.684 2.730 1.00 0.00 C ATOM 0 H ALA A 52 177.056 -1.477 5.074 1.00 0.00 H new ATOM 0 HA ALA A 52 177.932 -2.817 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.547 -0.525 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 52 176.829 -0.640 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 52 177.997 0.092 3.482 1.00 0.00 H new ATOM 852 N THR A 53 180.267 -3.154 3.294 1.00 0.00 N ATOM 853 CA THR A 53 181.665 -3.367 3.653 1.00 0.00 C ATOM 854 C THR A 53 182.573 -3.115 2.452 1.00 0.00 C ATOM 855 O THR A 53 182.635 -3.926 1.529 1.00 0.00 O ATOM 856 CB THR A 53 181.870 -4.792 4.172 1.00 0.00 C ATOM 857 OG1 THR A 53 181.020 -5.048 5.277 1.00 0.00 O ATOM 858 CG2 THR A 53 183.290 -5.073 4.610 1.00 0.00 C ATOM 0 H THR A 53 179.897 -3.827 2.623 1.00 0.00 H new ATOM 0 HA THR A 53 181.926 -2.662 4.442 1.00 0.00 H new ATOM 0 HB THR A 53 181.633 -5.443 3.330 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.163 -5.964 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.364 -6.100 4.966 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.966 -4.932 3.766 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.565 -4.390 5.413 1.00 0.00 H new ATOM 866 N ILE A 54 183.269 -1.985 2.470 1.00 0.00 N ATOM 867 CA ILE A 54 184.167 -1.625 1.378 1.00 0.00 C ATOM 868 C ILE A 54 185.623 -1.871 1.758 1.00 0.00 C ATOM 869 O ILE A 54 186.059 -1.517 2.854 1.00 0.00 O ATOM 870 CB ILE A 54 183.997 -0.146 0.966 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.552 0.314 1.180 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.404 0.044 -0.487 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.353 1.798 0.969 1.00 0.00 C ATOM 0 H ILE A 54 183.230 -1.303 3.227 1.00 0.00 H new ATOM 0 HA ILE A 54 183.902 -2.260 0.533 1.00 0.00 H new ATOM 0 HB ILE A 54 184.645 0.464 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 54 181.901 -0.232 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.243 0.055 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.280 1.090 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.448 -0.244 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.777 -0.578 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.307 2.052 1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.978 2.352 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.631 2.061 -0.052 1.00 0.00 H new ATOM 885 N ASN A 55 186.370 -2.483 0.844 1.00 0.00 N ATOM 886 CA ASN A 55 187.778 -2.782 1.080 1.00 0.00 C ATOM 887 C ASN A 55 188.673 -1.702 0.478 1.00 0.00 C ATOM 888 O ASN A 55 188.964 -1.718 -0.718 1.00 0.00 O ATOM 889 CB ASN A 55 188.135 -4.147 0.488 1.00 0.00 C ATOM 890 CG ASN A 55 188.874 -5.030 1.474 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.801 -4.439 2.219 1.00 0.00 O flip ATOM 892 ND2 ASN A 55 188.614 -6.230 1.567 1.00 0.00 N flip ATOM 0 H ASN A 55 186.023 -2.782 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 55 187.944 -2.805 2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.223 -4.650 0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.751 -4.005 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 55 187.894 -6.643 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 55 189.119 -6.811 2.236 1.00 0.00 H new ATOM 899 N THR A 56 189.112 -0.768 1.317 1.00 0.00 N ATOM 900 CA THR A 56 189.976 0.319 0.869 1.00 0.00 C ATOM 901 C THR A 56 191.446 -0.044 1.060 1.00 0.00 C ATOM 902 O THR A 56 191.784 -0.882 1.896 1.00 0.00 O ATOM 903 CB THR A 56 189.652 1.604 1.632 1.00 0.00 C ATOM 904 OG1 THR A 56 189.803 1.414 3.027 1.00 0.00 O ATOM 905 CG2 THR A 56 188.247 2.107 1.385 1.00 0.00 C ATOM 0 H THR A 56 188.883 -0.742 2.311 1.00 0.00 H new ATOM 0 HA THR A 56 189.794 0.482 -0.193 1.00 0.00 H new ATOM 0 HB THR A 56 190.358 2.346 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.242 0.554 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.082 3.021 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.116 2.314 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.529 1.349 1.698 1.00 0.00 H new ATOM 913 N PRO A 57 192.345 0.587 0.284 1.00 0.00 N ATOM 914 CA PRO A 57 193.786 0.328 0.373 1.00 0.00 C ATOM 915 C PRO A 57 194.351 0.638 1.756 1.00 0.00 C ATOM 916 O PRO A 57 195.444 0.190 2.102 1.00 0.00 O ATOM 917 CB PRO A 57 194.392 1.271 -0.675 1.00 0.00 C ATOM 918 CG PRO A 57 193.345 2.302 -0.922 1.00 0.00 C ATOM 919 CD PRO A 57 192.032 1.600 -0.735 1.00 0.00 C ATOM 0 HA PRO A 57 194.016 -0.724 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.314 1.725 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.641 0.735 -1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.445 3.136 -0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.430 2.713 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.252 2.284 -0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.681 1.146 -1.662 1.00 0.00 H new ATOM 927 N ASN A 58 193.606 1.411 2.540 1.00 0.00 N ATOM 928 CA ASN A 58 194.042 1.782 3.883 1.00 0.00 C ATOM 929 C ASN A 58 193.259 1.027 4.960 1.00 0.00 C ATOM 930 O ASN A 58 193.485 1.230 6.153 1.00 0.00 O ATOM 931 CB ASN A 58 193.888 3.289 4.091 1.00 0.00 C ATOM 932 CG ASN A 58 194.510 3.760 5.389 1.00 0.00 C ATOM 933 OD1 ASN A 58 193.860 4.423 6.198 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.776 3.418 5.600 1.00 0.00 N ATOM 0 H ASN A 58 192.699 1.792 2.270 1.00 0.00 H new ATOM 0 HA ASN A 58 195.093 1.507 3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 58 194.351 3.817 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 58 192.829 3.548 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.246 3.706 6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 58 196.278 2.868 4.904 1.00 0.00 H new ATOM 941 N GLY A 59 192.343 0.157 4.540 1.00 0.00 N ATOM 942 CA GLY A 59 191.556 -0.603 5.495 1.00 0.00 C ATOM 943 C GLY A 59 190.187 -0.973 4.959 1.00 0.00 C ATOM 944 O GLY A 59 189.960 -0.952 3.750 1.00 0.00 O ATOM 0 H GLY A 59 192.133 -0.034 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.095 -1.512 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.439 -0.021 6.409 1.00 0.00 H new ATOM 948 N VAL A 60 189.273 -1.315 5.862 1.00 0.00 N ATOM 949 CA VAL A 60 187.918 -1.693 5.475 1.00 0.00 C ATOM 950 C VAL A 60 186.896 -0.698 6.014 1.00 0.00 C ATOM 951 O VAL A 60 186.809 -0.474 7.221 1.00 0.00 O ATOM 952 CB VAL A 60 187.559 -3.105 5.979 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.205 -3.542 5.436 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.643 -4.101 5.595 1.00 0.00 C ATOM 0 H VAL A 60 189.446 -1.338 6.867 1.00 0.00 H new ATOM 0 HA VAL A 60 187.889 -1.688 4.385 1.00 0.00 H new ATOM 0 HB VAL A 60 187.494 -3.075 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 60 185.971 -4.541 5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.437 -2.844 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.237 -3.555 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.372 -5.092 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.744 -4.128 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.590 -3.797 6.040 1.00 0.00 H new ATOM 964 N LEU A 61 186.126 -0.104 5.110 1.00 0.00 N ATOM 965 CA LEU A 61 185.107 0.866 5.488 1.00 0.00 C ATOM 966 C LEU A 61 183.729 0.215 5.530 1.00 0.00 C ATOM 967 O LEU A 61 183.030 0.158 4.519 1.00 0.00 O ATOM 968 CB LEU A 61 185.098 2.034 4.499 1.00 0.00 C ATOM 969 CG LEU A 61 186.172 3.099 4.737 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.011 3.727 6.112 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.563 2.499 4.579 1.00 0.00 C ATOM 0 H LEU A 61 186.189 -0.278 4.107 1.00 0.00 H new ATOM 0 HA LEU A 61 185.345 1.240 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.220 1.637 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.120 2.513 4.536 1.00 0.00 H new ATOM 0 HG LEU A 61 186.049 3.883 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 186.784 4.481 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 61 185.029 4.195 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 61 186.104 2.956 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.314 3.270 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.696 1.694 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.676 2.102 3.570 1.00 0.00 H new ATOM 983 N VAL A 62 183.346 -0.283 6.702 1.00 0.00 N ATOM 984 CA VAL A 62 182.052 -0.935 6.860 1.00 0.00 C ATOM 985 C VAL A 62 180.989 0.048 7.333 1.00 0.00 C ATOM 986 O VAL A 62 180.909 0.370 8.519 1.00 0.00 O ATOM 987 CB VAL A 62 182.132 -2.105 7.859 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.824 -2.884 7.876 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.303 -3.019 7.524 1.00 0.00 C ATOM 0 H VAL A 62 183.910 -0.248 7.551 1.00 0.00 H new ATOM 0 HA VAL A 62 181.773 -1.319 5.879 1.00 0.00 H new ATOM 0 HB VAL A 62 182.297 -1.695 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.900 -3.706 8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.010 -2.222 8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.625 -3.282 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.342 -3.839 8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.174 -3.422 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.232 -2.452 7.571 1.00 0.00 H new ATOM 999 N ALA A 63 180.178 0.526 6.396 1.00 0.00 N ATOM 1000 CA ALA A 63 179.122 1.480 6.713 1.00 0.00 C ATOM 1001 C ALA A 63 177.786 0.778 6.943 1.00 0.00 C ATOM 1002 O ALA A 63 177.031 0.538 6.002 1.00 0.00 O ATOM 1003 CB ALA A 63 178.990 2.501 5.594 1.00 0.00 C ATOM 0 H ALA A 63 180.232 0.268 5.411 1.00 0.00 H new ATOM 0 HA ALA A 63 179.396 1.990 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.199 3.210 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.932 3.036 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.744 1.991 4.663 1.00 0.00 H new ATOM 1009 N SER A 64 177.498 0.455 8.199 1.00 0.00 N ATOM 1010 CA SER A 64 176.250 -0.214 8.546 1.00 0.00 C ATOM 1011 C SER A 64 175.117 0.798 8.703 1.00 0.00 C ATOM 1012 O SER A 64 175.118 1.605 9.633 1.00 0.00 O ATOM 1013 CB SER A 64 176.418 -1.018 9.838 1.00 0.00 C ATOM 1014 OG SER A 64 177.784 -1.147 10.187 1.00 0.00 O ATOM 0 H SER A 64 178.110 0.645 8.992 1.00 0.00 H new ATOM 0 HA SER A 64 175.994 -0.896 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 64 175.878 -0.527 10.648 1.00 0.00 H new ATOM 0 HB3 SER A 64 175.977 -2.007 9.714 1.00 0.00 H new ATOM 0 HG SER A 64 177.862 -1.663 11.016 1.00 0.00 H new ATOM 1020 N GLY A 65 174.156 0.748 7.788 1.00 0.00 N ATOM 1021 CA GLY A 65 173.033 1.666 7.842 1.00 0.00 C ATOM 1022 C GLY A 65 171.784 1.021 8.406 1.00 0.00 C ATOM 1023 O GLY A 65 171.109 0.251 7.720 1.00 0.00 O ATOM 0 H GLY A 65 174.134 0.089 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.301 2.528 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.824 2.039 6.839 1.00 0.00 H new ATOM 1027 N LYS A 66 171.473 1.335 9.659 1.00 0.00 N ATOM 1028 CA LYS A 66 170.297 0.781 10.318 1.00 0.00 C ATOM 1029 C LYS A 66 169.226 1.851 10.501 1.00 0.00 C ATOM 1030 O LYS A 66 169.444 2.844 11.198 1.00 0.00 O ATOM 1031 CB LYS A 66 170.685 0.187 11.676 1.00 0.00 C ATOM 1032 CG LYS A 66 169.495 -0.257 12.515 1.00 0.00 C ATOM 1033 CD LYS A 66 169.274 0.667 13.704 1.00 0.00 C ATOM 1034 CE LYS A 66 167.981 0.343 14.432 1.00 0.00 C ATOM 1035 NZ LYS A 66 166.929 1.365 14.176 1.00 0.00 N ATOM 0 H LYS A 66 172.020 1.971 10.239 1.00 0.00 H new ATOM 0 HA LYS A 66 169.890 -0.009 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.342 -0.667 11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.256 0.927 12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 66 168.598 -0.275 11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.658 -1.275 12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 66 170.113 0.579 14.395 1.00 0.00 H new ATOM 0 HD3 LYS A 66 169.250 1.702 13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 66 167.621 -0.636 14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 66 168.173 0.280 15.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 166.063 1.108 14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 167.262 2.295 14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 166.727 1.407 13.157 1.00 0.00 H new ATOM 1049 N HIS A 67 168.065 1.650 9.878 1.00 0.00 N ATOM 1050 CA HIS A 67 166.975 2.618 9.993 1.00 0.00 C ATOM 1051 C HIS A 67 165.664 2.060 9.448 1.00 0.00 C ATOM 1052 O HIS A 67 165.656 1.227 8.544 1.00 0.00 O ATOM 1053 CB HIS A 67 167.335 3.914 9.266 1.00 0.00 C ATOM 1054 CG HIS A 67 167.178 5.135 10.121 1.00 0.00 C ATOM 1055 ND1 HIS A 67 168.140 5.559 11.014 1.00 0.00 N ATOM 1056 CD2 HIS A 67 166.161 6.026 10.217 1.00 0.00 C ATOM 1057 CE1 HIS A 67 167.721 6.654 11.622 1.00 0.00 C ATOM 1058 NE2 HIS A 67 166.524 6.958 11.156 1.00 0.00 N ATOM 0 H HIS A 67 167.857 0.838 9.297 1.00 0.00 H new ATOM 0 HA HIS A 67 166.834 2.828 11.053 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.366 3.853 8.917 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.705 4.014 8.382 1.00 0.00 H new ATOM 0 HD1 HIS A 67 169.035 5.099 11.179 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.237 6.006 9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 67 168.265 7.207 12.373 1.00 0.00 H new ATOM 1067 N GLU A 68 164.554 2.535 10.010 1.00 0.00 N ATOM 1068 CA GLU A 68 163.224 2.096 9.595 1.00 0.00 C ATOM 1069 C GLU A 68 163.043 2.206 8.083 1.00 0.00 C ATOM 1070 O GLU A 68 162.640 1.247 7.425 1.00 0.00 O ATOM 1071 CB GLU A 68 162.150 2.921 10.307 1.00 0.00 C ATOM 1072 CG GLU A 68 161.557 2.226 11.523 1.00 0.00 C ATOM 1073 CD GLU A 68 160.524 1.180 11.150 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.209 1.056 9.947 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.028 0.485 12.061 1.00 0.00 O ATOM 0 H GLU A 68 164.551 3.228 10.758 1.00 0.00 H new ATOM 0 HA GLU A 68 163.120 1.047 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.581 3.873 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.350 3.147 9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 68 162.357 1.754 12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 68 161.097 2.970 12.174 1.00 0.00 H new ATOM 1082 N ASP A 69 163.340 3.381 7.537 1.00 0.00 N ATOM 1083 CA ASP A 69 163.205 3.606 6.103 1.00 0.00 C ATOM 1084 C ASP A 69 164.520 3.327 5.385 1.00 0.00 C ATOM 1085 O ASP A 69 165.585 3.764 5.819 1.00 0.00 O ATOM 1086 CB ASP A 69 162.733 5.036 5.824 1.00 0.00 C ATOM 1087 CG ASP A 69 161.351 5.076 5.202 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.581 4.113 5.405 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.037 6.068 4.512 1.00 0.00 O ATOM 0 H ASP A 69 163.674 4.188 8.063 1.00 0.00 H new ATOM 0 HA ASP A 69 162.454 2.915 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.726 5.602 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.443 5.527 5.158 1.00 0.00 H new ATOM 1094 N MET A 70 164.435 2.577 4.294 1.00 0.00 N ATOM 1095 CA MET A 70 165.611 2.211 3.511 1.00 0.00 C ATOM 1096 C MET A 70 166.482 3.422 3.181 1.00 0.00 C ATOM 1097 O MET A 70 167.687 3.413 3.427 1.00 0.00 O ATOM 1098 CB MET A 70 165.186 1.478 2.231 1.00 0.00 C ATOM 1099 CG MET A 70 164.549 2.359 1.163 1.00 0.00 C ATOM 1100 SD MET A 70 162.914 2.963 1.628 1.00 0.00 S ATOM 1101 CE MET A 70 161.946 2.442 0.214 1.00 0.00 C ATOM 0 H MET A 70 163.558 2.207 3.928 1.00 0.00 H new ATOM 0 HA MET A 70 166.218 1.541 4.119 1.00 0.00 H new ATOM 0 HB2 MET A 70 166.061 0.990 1.803 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.481 0.691 2.499 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.201 3.209 0.965 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.471 1.795 0.234 1.00 0.00 H new ATOM 0 HE1 MET A 70 160.908 2.744 0.353 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.342 2.907 -0.689 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.998 1.358 0.117 1.00 0.00 H new ATOM 1111 N TYR A 71 165.873 4.458 2.621 1.00 0.00 N ATOM 1112 CA TYR A 71 166.605 5.667 2.253 1.00 0.00 C ATOM 1113 C TYR A 71 167.325 6.260 3.455 1.00 0.00 C ATOM 1114 O TYR A 71 168.390 6.862 3.314 1.00 0.00 O ATOM 1115 CB TYR A 71 165.662 6.701 1.633 1.00 0.00 C ATOM 1116 CG TYR A 71 165.437 6.513 0.143 1.00 0.00 C ATOM 1117 CD1 TYR A 71 165.990 5.433 -0.541 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.672 7.421 -0.579 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.786 5.266 -1.894 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.463 7.259 -1.936 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.023 6.180 -2.589 1.00 0.00 C ATOM 1122 OH TYR A 71 164.816 6.014 -3.939 1.00 0.00 O ATOM 0 H TYR A 71 164.875 4.488 2.411 1.00 0.00 H new ATOM 0 HA TYR A 71 167.355 5.391 1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.701 6.654 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.067 7.698 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.589 4.714 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.233 8.267 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.222 4.422 -2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.865 7.973 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 71 165.541 5.474 -4.317 1.00 0.00 H new ATOM 1132 N THR A 72 166.755 6.074 4.638 1.00 0.00 N ATOM 1133 CA THR A 72 167.371 6.584 5.855 1.00 0.00 C ATOM 1134 C THR A 72 168.620 5.773 6.178 1.00 0.00 C ATOM 1135 O THR A 72 169.606 6.306 6.686 1.00 0.00 O ATOM 1136 CB THR A 72 166.384 6.542 7.023 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.131 6.031 6.609 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.139 7.899 7.645 1.00 0.00 C ATOM 0 H THR A 72 165.875 5.578 4.780 1.00 0.00 H new ATOM 0 HA THR A 72 167.655 7.624 5.695 1.00 0.00 H new ATOM 0 HB THR A 72 166.847 5.893 7.766 1.00 0.00 H new ATOM 0 HG1 THR A 72 165.068 5.083 6.850 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.430 7.800 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.079 8.301 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 72 165.731 8.575 6.894 1.00 0.00 H new ATOM 1146 N ALA A 73 168.571 4.482 5.860 1.00 0.00 N ATOM 1147 CA ALA A 73 169.702 3.594 6.094 1.00 0.00 C ATOM 1148 C ALA A 73 170.875 3.994 5.207 1.00 0.00 C ATOM 1149 O ALA A 73 172.039 3.819 5.575 1.00 0.00 O ATOM 1150 CB ALA A 73 169.302 2.148 5.827 1.00 0.00 C ATOM 0 H ALA A 73 167.759 4.029 5.440 1.00 0.00 H new ATOM 0 HA ALA A 73 170.008 3.681 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 73 170.156 1.495 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.486 1.868 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.977 2.046 4.792 1.00 0.00 H new ATOM 1156 N ILE A 74 170.556 4.543 4.038 1.00 0.00 N ATOM 1157 CA ILE A 74 171.573 4.982 3.090 1.00 0.00 C ATOM 1158 C ILE A 74 172.328 6.193 3.631 1.00 0.00 C ATOM 1159 O ILE A 74 173.553 6.173 3.763 1.00 0.00 O ATOM 1160 CB ILE A 74 170.962 5.358 1.723 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.869 4.361 1.306 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.052 5.442 0.662 1.00 0.00 C ATOM 1163 CD1 ILE A 74 170.393 3.076 0.704 1.00 0.00 C ATOM 0 H ILE A 74 169.597 4.694 3.725 1.00 0.00 H new ATOM 0 HA ILE A 74 172.255 4.143 2.954 1.00 0.00 H new ATOM 0 HB ILE A 74 170.494 6.338 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.263 4.118 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.210 4.844 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.607 5.708 -0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.780 6.202 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.550 4.477 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 74 169.556 2.431 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.974 3.303 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 74 171.028 2.567 1.429 1.00 0.00 H new ATOM 1175 N ASN A 75 171.583 7.250 3.937 1.00 0.00 N ATOM 1176 CA ASN A 75 172.172 8.477 4.462 1.00 0.00 C ATOM 1177 C ASN A 75 172.992 8.195 5.716 1.00 0.00 C ATOM 1178 O ASN A 75 174.136 8.631 5.831 1.00 0.00 O ATOM 1179 CB ASN A 75 171.079 9.504 4.767 1.00 0.00 C ATOM 1180 CG ASN A 75 170.205 9.789 3.562 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.655 10.378 2.578 1.00 0.00 O ATOM 1182 ND2 ASN A 75 168.947 9.369 3.631 1.00 0.00 N ATOM 0 H ASN A 75 170.569 7.282 3.830 1.00 0.00 H new ATOM 0 HA ASN A 75 172.838 8.885 3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.458 9.138 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.540 10.432 5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.312 9.530 2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.616 8.885 4.466 1.00 0.00 H new ATOM 1189 N GLU A 76 172.405 7.456 6.653 1.00 0.00 N ATOM 1190 CA GLU A 76 173.094 7.114 7.892 1.00 0.00 C ATOM 1191 C GLU A 76 174.425 6.431 7.596 1.00 0.00 C ATOM 1192 O GLU A 76 175.422 6.659 8.283 1.00 0.00 O ATOM 1193 CB GLU A 76 172.218 6.201 8.752 1.00 0.00 C ATOM 1194 CG GLU A 76 172.699 6.076 10.189 1.00 0.00 C ATOM 1195 CD GLU A 76 171.557 5.969 11.180 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.684 5.097 10.987 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.535 6.757 12.148 1.00 0.00 O ATOM 0 H GLU A 76 171.458 7.084 6.578 1.00 0.00 H new ATOM 0 HA GLU A 76 173.290 8.036 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.197 6.584 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.187 5.210 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 76 173.337 5.197 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 76 173.312 6.942 10.439 1.00 0.00 H new ATOM 1204 N LEU A 77 174.431 5.595 6.563 1.00 0.00 N ATOM 1205 CA LEU A 77 175.635 4.875 6.163 1.00 0.00 C ATOM 1206 C LEU A 77 176.757 5.845 5.801 1.00 0.00 C ATOM 1207 O LEU A 77 177.911 5.638 6.175 1.00 0.00 O ATOM 1208 CB LEU A 77 175.318 3.941 4.982 1.00 0.00 C ATOM 1209 CG LEU A 77 176.419 3.794 3.924 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.401 2.395 3.326 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.254 4.842 2.833 1.00 0.00 C ATOM 0 H LEU A 77 173.613 5.399 5.986 1.00 0.00 H new ATOM 0 HA LEU A 77 175.977 4.273 7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.089 2.952 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.416 4.304 4.490 1.00 0.00 H new ATOM 0 HG LEU A 77 177.383 3.949 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 77 177.189 2.309 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 77 176.567 1.660 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.434 2.212 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.044 4.723 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.283 4.718 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.317 5.838 3.272 1.00 0.00 H new ATOM 1223 N ILE A 78 176.420 6.896 5.058 1.00 0.00 N ATOM 1224 CA ILE A 78 177.414 7.880 4.639 1.00 0.00 C ATOM 1225 C ILE A 78 178.026 8.622 5.830 1.00 0.00 C ATOM 1226 O ILE A 78 179.225 8.897 5.845 1.00 0.00 O ATOM 1227 CB ILE A 78 176.821 8.901 3.634 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.874 9.275 2.587 1.00 0.00 C ATOM 1229 CG2 ILE A 78 176.304 10.148 4.345 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.454 10.406 1.671 1.00 0.00 C ATOM 0 H ILE A 78 175.472 7.088 4.735 1.00 0.00 H new ATOM 0 HA ILE A 78 178.206 7.320 4.142 1.00 0.00 H new ATOM 0 HB ILE A 78 175.973 8.433 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 78 178.795 9.557 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.100 8.396 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.895 10.842 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.524 9.867 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 78 177.123 10.627 4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.252 10.612 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 78 176.550 10.121 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 78 177.257 11.300 2.263 1.00 0.00 H new ATOM 1242 N ASN A 79 177.198 8.955 6.816 1.00 0.00 N ATOM 1243 CA ASN A 79 177.670 9.678 7.994 1.00 0.00 C ATOM 1244 C ASN A 79 178.758 8.894 8.730 1.00 0.00 C ATOM 1245 O ASN A 79 179.858 9.403 8.955 1.00 0.00 O ATOM 1246 CB ASN A 79 176.486 10.009 8.925 1.00 0.00 C ATOM 1247 CG ASN A 79 176.473 9.202 10.213 1.00 0.00 C ATOM 1248 OD1 ASN A 79 177.367 9.333 11.049 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.456 8.366 10.375 1.00 0.00 N ATOM 0 H ASN A 79 176.202 8.737 6.824 1.00 0.00 H new ATOM 0 HA ASN A 79 178.119 10.615 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.516 11.070 9.173 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.554 9.834 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 79 175.392 7.798 11.220 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.738 8.291 9.655 1.00 0.00 H new ATOM 1256 N LYS A 80 178.449 7.656 9.105 1.00 0.00 N ATOM 1257 CA LYS A 80 179.410 6.819 9.814 1.00 0.00 C ATOM 1258 C LYS A 80 180.638 6.554 8.953 1.00 0.00 C ATOM 1259 O LYS A 80 181.768 6.787 9.379 1.00 0.00 O ATOM 1260 CB LYS A 80 178.762 5.497 10.228 1.00 0.00 C ATOM 1261 CG LYS A 80 179.528 4.763 11.318 1.00 0.00 C ATOM 1262 CD LYS A 80 178.900 3.415 11.636 1.00 0.00 C ATOM 1263 CE LYS A 80 178.762 2.555 10.390 1.00 0.00 C ATOM 1264 NZ LYS A 80 177.458 2.777 9.705 1.00 0.00 N ATOM 0 H LYS A 80 177.547 7.213 8.931 1.00 0.00 H new ATOM 0 HA LYS A 80 179.727 7.352 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.747 5.692 10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.681 4.851 9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 80 180.561 4.618 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.553 5.375 12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 80 179.510 2.893 12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.918 3.567 12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 80 179.577 2.779 9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.855 1.504 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 177.606 2.802 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 176.805 2.003 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 177.051 3.681 10.018 1.00 0.00 H new ATOM 1278 N LEU A 81 180.411 6.072 7.734 1.00 0.00 N ATOM 1279 CA LEU A 81 181.504 5.784 6.812 1.00 0.00 C ATOM 1280 C LEU A 81 182.397 7.012 6.639 1.00 0.00 C ATOM 1281 O LEU A 81 183.588 6.892 6.353 1.00 0.00 O ATOM 1282 CB LEU A 81 180.951 5.349 5.452 1.00 0.00 C ATOM 1283 CG LEU A 81 181.801 4.319 4.706 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.204 4.020 3.339 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.232 4.816 4.569 1.00 0.00 C ATOM 0 H LEU A 81 179.482 5.873 7.363 1.00 0.00 H new ATOM 0 HA LEU A 81 182.100 4.972 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.953 4.936 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.842 6.232 4.822 1.00 0.00 H new ATOM 0 HG LEU A 81 181.809 3.394 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.823 3.285 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.196 3.623 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.164 4.937 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.826 4.073 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.240 5.754 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.657 4.978 5.559 1.00 0.00 H new ATOM 1297 N GLU A 82 181.808 8.191 6.821 1.00 0.00 N ATOM 1298 CA GLU A 82 182.540 9.445 6.691 1.00 0.00 C ATOM 1299 C GLU A 82 183.589 9.580 7.792 1.00 0.00 C ATOM 1300 O GLU A 82 184.779 9.729 7.514 1.00 0.00 O ATOM 1301 CB GLU A 82 181.571 10.631 6.744 1.00 0.00 C ATOM 1302 CG GLU A 82 181.525 11.440 5.459 1.00 0.00 C ATOM 1303 CD GLU A 82 181.070 10.620 4.267 1.00 0.00 C ATOM 1304 OE1 GLU A 82 181.440 9.429 4.187 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.341 11.167 3.413 1.00 0.00 O ATOM 0 H GLU A 82 180.823 8.303 7.060 1.00 0.00 H new ATOM 0 HA GLU A 82 183.050 9.443 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.570 10.261 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.858 11.287 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 82 180.851 12.286 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.515 11.849 5.257 1.00 0.00 H new ATOM 1312 N ARG A 83 183.137 9.534 9.042 1.00 0.00 N ATOM 1313 CA ARG A 83 184.038 9.658 10.187 1.00 0.00 C ATOM 1314 C ARG A 83 185.163 8.629 10.122 1.00 0.00 C ATOM 1315 O ARG A 83 186.296 8.911 10.512 1.00 0.00 O ATOM 1316 CB ARG A 83 183.264 9.496 11.497 1.00 0.00 C ATOM 1317 CG ARG A 83 184.123 9.713 12.734 1.00 0.00 C ATOM 1318 CD ARG A 83 183.892 8.630 13.777 1.00 0.00 C ATOM 1319 NE ARG A 83 182.497 8.569 14.207 1.00 0.00 N ATOM 1320 CZ ARG A 83 181.617 7.669 13.768 1.00 0.00 C ATOM 1321 NH1 ARG A 83 181.971 6.763 12.864 1.00 0.00 N ATOM 1322 NH2 ARG A 83 180.375 7.681 14.232 1.00 0.00 N ATOM 0 H ARG A 83 182.155 9.412 9.289 1.00 0.00 H new ATOM 0 HA ARG A 83 184.481 10.653 10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.434 10.203 11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.832 8.496 11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 83 185.175 9.725 12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.899 10.688 13.166 1.00 0.00 H new ATOM 0 HD2 ARG A 83 184.187 7.664 13.367 1.00 0.00 H new ATOM 0 HD3 ARG A 83 184.529 8.818 14.641 1.00 0.00 H new ATOM 0 HE ARG A 83 182.176 9.259 14.886 1.00 0.00 H new ATOM 0 HH11 ARG A 83 182.924 6.752 12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 83 181.290 6.078 12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 83 180.095 8.377 14.923 1.00 0.00 H new ATOM 0 HH22 ARG A 83 179.699 6.994 13.898 1.00 0.00 H new ATOM 1336 N GLN A 84 184.846 7.436 9.632 1.00 0.00 N ATOM 1337 CA GLN A 84 185.836 6.371 9.523 1.00 0.00 C ATOM 1338 C GLN A 84 186.991 6.790 8.620 1.00 0.00 C ATOM 1339 O GLN A 84 188.144 6.831 9.049 1.00 0.00 O ATOM 1340 CB GLN A 84 185.187 5.095 8.986 1.00 0.00 C ATOM 1341 CG GLN A 84 184.580 4.220 10.068 1.00 0.00 C ATOM 1342 CD GLN A 84 184.459 2.768 9.646 1.00 0.00 C ATOM 1343 OE1 GLN A 84 184.976 1.872 10.314 1.00 0.00 O ATOM 1344 NE2 GLN A 84 183.777 2.531 8.532 1.00 0.00 N ATOM 0 H GLN A 84 183.914 7.182 9.305 1.00 0.00 H new ATOM 0 HA GLN A 84 186.233 6.175 10.519 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.410 5.366 8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.935 4.519 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 84 185.193 4.283 10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.593 4.602 10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.366 3.306 8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.664 1.574 8.197 1.00 0.00 H new ATOM 1353 N LEU A 85 186.674 7.100 7.367 1.00 0.00 N ATOM 1354 CA LEU A 85 187.686 7.517 6.402 1.00 0.00 C ATOM 1355 C LEU A 85 188.418 8.768 6.883 1.00 0.00 C ATOM 1356 O LEU A 85 189.574 8.997 6.527 1.00 0.00 O ATOM 1357 CB LEU A 85 187.040 7.777 5.038 1.00 0.00 C ATOM 1358 CG LEU A 85 187.483 6.829 3.919 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.277 6.255 3.192 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.402 7.548 2.942 1.00 0.00 C ATOM 0 H LEU A 85 185.724 7.070 6.996 1.00 0.00 H new ATOM 0 HA LEU A 85 188.414 6.712 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.958 7.706 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 85 187.264 8.800 4.736 1.00 0.00 H new ATOM 0 HG LEU A 85 188.036 6.004 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.614 5.585 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.657 5.702 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.695 7.067 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.706 6.859 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.874 8.393 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 85 189.285 7.908 3.470 1.00 0.00 H new ATOM 1372 N ASN A 86 187.735 9.577 7.687 1.00 0.00 N ATOM 1373 CA ASN A 86 188.319 10.808 8.211 1.00 0.00 C ATOM 1374 C ASN A 86 189.567 10.515 9.041 1.00 0.00 C ATOM 1375 O ASN A 86 190.670 10.935 8.687 1.00 0.00 O ATOM 1376 CB ASN A 86 187.295 11.563 9.059 1.00 0.00 C ATOM 1377 CG ASN A 86 186.485 12.550 8.243 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.838 12.876 7.110 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.388 13.032 8.817 1.00 0.00 N ATOM 0 H ASN A 86 186.777 9.403 7.990 1.00 0.00 H new ATOM 0 HA ASN A 86 188.609 11.429 7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.622 10.848 9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.811 12.094 9.859 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.802 13.699 8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.132 12.735 9.759 1.00 0.00 H new ATOM 1386 N LYS A 87 189.387 9.798 10.146 1.00 0.00 N ATOM 1387 CA LYS A 87 190.505 9.457 11.024 1.00 0.00 C ATOM 1388 C LYS A 87 191.606 8.737 10.248 1.00 0.00 C ATOM 1389 O LYS A 87 192.792 8.949 10.495 1.00 0.00 O ATOM 1390 CB LYS A 87 190.021 8.597 12.199 1.00 0.00 C ATOM 1391 CG LYS A 87 189.859 7.122 11.865 1.00 0.00 C ATOM 1392 CD LYS A 87 191.175 6.374 12.001 1.00 0.00 C ATOM 1393 CE LYS A 87 190.985 5.020 12.666 1.00 0.00 C ATOM 1394 NZ LYS A 87 192.276 4.298 12.841 1.00 0.00 N ATOM 0 H LYS A 87 188.482 9.442 10.455 1.00 0.00 H new ATOM 0 HA LYS A 87 190.921 10.383 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 87 190.728 8.696 13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 87 189.065 8.986 12.550 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.116 6.677 12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.483 7.017 10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 87 191.619 6.236 11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 87 191.875 6.972 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 87 190.512 5.157 13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 87 190.309 4.413 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 192.089 3.291 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 192.847 4.394 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 192.794 4.704 13.646 1.00 0.00 H new ATOM 1408 N LEU A 88 191.201 7.890 9.307 1.00 0.00 N ATOM 1409 CA LEU A 88 192.153 7.146 8.491 1.00 0.00 C ATOM 1410 C LEU A 88 192.908 8.089 7.561 1.00 0.00 C ATOM 1411 O LEU A 88 194.120 7.966 7.381 1.00 0.00 O ATOM 1412 CB LEU A 88 191.428 6.072 7.675 1.00 0.00 C ATOM 1413 CG LEU A 88 190.737 4.983 8.501 1.00 0.00 C ATOM 1414 CD1 LEU A 88 189.884 4.095 7.608 1.00 0.00 C ATOM 1415 CD2 LEU A 88 191.766 4.153 9.255 1.00 0.00 C ATOM 0 H LEU A 88 190.222 7.702 9.091 1.00 0.00 H new ATOM 0 HA LEU A 88 192.870 6.661 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.682 6.558 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 88 192.147 5.598 7.007 1.00 0.00 H new ATOM 0 HG LEU A 88 190.084 5.465 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 88 189.401 3.327 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.123 4.699 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.515 3.621 6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 88 191.258 3.384 9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.444 3.681 8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.334 4.799 9.925 1.00 0.00 H new