USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 45 MET CE :methyl 172:sc= -0.0976 (180deg=-0.154) USER MOD Set 1.2: A 60 MET CE :methyl -171:sc= -0.116 (180deg=-0.42) USER MOD Set 1.3: B 153 MET CE :methyl -169:sc= -3.55! (180deg=-3.77!) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0.395 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 162:sc= 1.73 (180deg=1.15) USER MOD Set 3.2: A 18 ASN : amide:sc= 0.724 K(o=2.5,f=-4.7!) USER MOD Set 4.1: A 13 THR OG1 : rot -86:sc= 0.356 USER MOD Set 4.2: A 16 GLN : amide:sc= -0.0972 X(o=0.26,f=-0.11) USER MOD Set 5.1: A 11 GLN : amide:sc= 0.0246 K(o=0.81,f=-1.6) USER MOD Set 5.2: A 86 LYS NZ :NH3+ -162:sc= 0.786 (180deg=0.0652!) USER MOD Single : A 1 MET CE :methyl -112:sc= 0 (180deg=-0.01) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -145:sc= 0.687 (180deg=0.169) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0.778 (180deg=0.777) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0705 USER MOD Single : A 37 SER OG : rot -93:sc= 0.378 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0.198 (180deg=0.164) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc=-0.00492 (180deg=-0.0193) USER MOD Single : A 47 MET CE :methyl -129:sc= -2.25 (180deg=-6.16!) USER MOD Single : A 50 GLN : amide:sc= -0.501 K(o=-0.5,f=-2.5!) USER MOD Single : A 51 ASN : amide:sc= -0.435 K(o=-0.44,f=-2.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 58 GLN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 80 MET CE :methyl -145:sc=-0.000279 (180deg=-1.39) USER MOD Single : A 81 MET CE :methyl -160:sc= -1.21 (180deg=-2.36!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 169:sc= -0.094 (180deg=-0.266) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SXK OAB : rot 180:sc= 0 USER MOD Single : B 149 SER OG : rot 180:sc= 0 USER MOD Single : B 154 MET CE :methyl -173:sc= -0.364 (180deg=-0.445) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : B 163 LYS NZ :NH3+ -153:sc= 0.468 (180deg=-0.403) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 75.694 5.370 3.493 1.00 0.00 N ATOM 2 CA MET A 1 75.881 6.180 4.736 1.00 0.00 C ATOM 3 C MET A 1 74.547 6.312 5.482 1.00 0.00 C ATOM 4 O MET A 1 73.561 6.751 4.923 1.00 0.00 O ATOM 5 CB MET A 1 76.368 7.552 4.254 1.00 0.00 C ATOM 6 CG MET A 1 77.883 7.512 4.037 1.00 0.00 C ATOM 7 SD MET A 1 78.502 9.192 3.767 1.00 0.00 S ATOM 8 CE MET A 1 78.098 9.308 2.006 1.00 0.00 C ATOM 0 H1 MET A 1 76.602 5.286 2.994 1.00 0.00 H new ATOM 0 H2 MET A 1 75.348 4.422 3.745 1.00 0.00 H new ATOM 0 H3 MET A 1 75.001 5.838 2.874 1.00 0.00 H new ATOM 0 HA MET A 1 76.589 5.721 5.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.865 7.822 3.326 1.00 0.00 H new ATOM 0 HB3 MET A 1 76.116 8.317 4.988 1.00 0.00 H new ATOM 0 HG2 MET A 1 78.373 7.068 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 78.121 6.883 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 1 79.018 9.337 1.423 1.00 0.00 H new ATOM 0 HE2 MET A 1 77.508 8.441 1.710 1.00 0.00 H new ATOM 0 HE3 MET A 1 77.524 10.217 1.823 1.00 0.00 H new ATOM 20 N ASP A 2 74.510 5.932 6.736 1.00 0.00 N ATOM 21 CA ASP A 2 73.237 6.032 7.513 1.00 0.00 C ATOM 22 C ASP A 2 73.496 6.634 8.902 1.00 0.00 C ATOM 23 O ASP A 2 74.554 6.465 9.480 1.00 0.00 O ATOM 24 CB ASP A 2 72.730 4.590 7.633 1.00 0.00 C ATOM 25 CG ASP A 2 71.214 4.587 7.858 1.00 0.00 C ATOM 26 OD1 ASP A 2 70.766 5.251 8.778 1.00 0.00 O ATOM 27 OD2 ASP A 2 70.527 3.910 7.113 1.00 0.00 O ATOM 0 H ASP A 2 75.305 5.558 7.254 1.00 0.00 H new ATOM 0 HA ASP A 2 72.510 6.681 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 2 72.973 4.033 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 2 73.230 4.087 8.461 1.00 0.00 H new ATOM 32 N ASP A 3 72.525 7.331 9.438 1.00 0.00 N ATOM 33 CA ASP A 3 72.683 7.950 10.790 1.00 0.00 C ATOM 34 C ASP A 3 71.302 8.171 11.425 1.00 0.00 C ATOM 35 O ASP A 3 70.975 7.586 12.441 1.00 0.00 O ATOM 36 CB ASP A 3 73.390 9.289 10.531 1.00 0.00 C ATOM 37 CG ASP A 3 73.530 10.066 11.843 1.00 0.00 C ATOM 38 OD1 ASP A 3 74.389 9.710 12.631 1.00 0.00 O ATOM 39 OD2 ASP A 3 72.776 11.005 12.033 1.00 0.00 O ATOM 0 H ASP A 3 71.623 7.499 8.993 1.00 0.00 H new ATOM 0 HA ASP A 3 73.251 7.323 11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 3 74.374 9.113 10.096 1.00 0.00 H new ATOM 0 HB3 ASP A 3 72.823 9.876 9.809 1.00 0.00 H new ATOM 44 N ILE A 4 70.491 9.009 10.827 1.00 0.00 N ATOM 45 CA ILE A 4 69.127 9.277 11.382 1.00 0.00 C ATOM 46 C ILE A 4 68.170 8.122 11.046 1.00 0.00 C ATOM 47 O ILE A 4 67.367 7.720 11.867 1.00 0.00 O ATOM 48 CB ILE A 4 68.676 10.579 10.703 1.00 0.00 C ATOM 49 CG1 ILE A 4 69.439 11.760 11.312 1.00 0.00 C ATOM 50 CG2 ILE A 4 67.174 10.788 10.911 1.00 0.00 C ATOM 51 CD1 ILE A 4 69.593 12.867 10.266 1.00 0.00 C ATOM 0 H ILE A 4 70.716 9.521 9.974 1.00 0.00 H new ATOM 0 HA ILE A 4 69.132 9.364 12.468 1.00 0.00 H new ATOM 0 HB ILE A 4 68.884 10.514 9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 4 68.905 12.141 12.183 1.00 0.00 H new ATOM 0 HG13 ILE A 4 70.420 11.433 11.657 1.00 0.00 H new ATOM 0 HG21 ILE A 4 66.865 11.714 10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 4 66.627 9.951 10.478 1.00 0.00 H new ATOM 0 HG23 ILE A 4 66.959 10.848 11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 4 70.136 13.706 10.701 1.00 0.00 H new ATOM 0 HD12 ILE A 4 70.145 12.483 9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 4 68.607 13.201 9.942 1.00 0.00 H new ATOM 63 N TYR A 5 68.249 7.590 9.848 1.00 0.00 N ATOM 64 CA TYR A 5 67.340 6.461 9.461 1.00 0.00 C ATOM 65 C TYR A 5 67.539 5.272 10.412 1.00 0.00 C ATOM 66 O TYR A 5 66.583 4.669 10.863 1.00 0.00 O ATOM 67 CB TYR A 5 67.730 6.092 8.023 1.00 0.00 C ATOM 68 CG TYR A 5 67.341 7.217 7.091 1.00 0.00 C ATOM 69 CD1 TYR A 5 65.992 7.454 6.803 1.00 0.00 C ATOM 70 CD2 TYR A 5 68.331 8.026 6.519 1.00 0.00 C ATOM 71 CE1 TYR A 5 65.634 8.498 5.944 1.00 0.00 C ATOM 72 CE2 TYR A 5 67.970 9.071 5.660 1.00 0.00 C ATOM 73 CZ TYR A 5 66.622 9.307 5.373 1.00 0.00 C ATOM 74 OH TYR A 5 66.266 10.338 4.526 1.00 0.00 O ATOM 0 H TYR A 5 68.902 7.888 9.123 1.00 0.00 H new ATOM 0 HA TYR A 5 66.288 6.740 9.524 1.00 0.00 H new ATOM 0 HB2 TYR A 5 68.803 5.909 7.961 1.00 0.00 H new ATOM 0 HB3 TYR A 5 67.232 5.170 7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 5 65.228 6.831 7.244 1.00 0.00 H new ATOM 0 HD2 TYR A 5 69.372 7.844 6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 5 64.593 8.680 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 5 68.733 9.695 5.219 1.00 0.00 H new ATOM 0 HH TYR A 5 67.073 10.802 4.218 1.00 0.00 H new ATOM 84 N LYS A 6 68.769 4.948 10.741 1.00 0.00 N ATOM 85 CA LYS A 6 69.019 3.817 11.690 1.00 0.00 C ATOM 86 C LYS A 6 68.394 4.158 13.049 1.00 0.00 C ATOM 87 O LYS A 6 67.777 3.324 13.684 1.00 0.00 O ATOM 88 CB LYS A 6 70.546 3.698 11.800 1.00 0.00 C ATOM 89 CG LYS A 6 70.970 2.248 11.537 1.00 0.00 C ATOM 90 CD LYS A 6 71.321 2.077 10.055 1.00 0.00 C ATOM 91 CE LYS A 6 70.580 0.869 9.477 1.00 0.00 C ATOM 92 NZ LYS A 6 70.468 1.151 8.016 1.00 0.00 N ATOM 0 H LYS A 6 69.606 5.416 10.394 1.00 0.00 H new ATOM 0 HA LYS A 6 68.581 2.878 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.025 4.363 11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.875 4.009 12.792 1.00 0.00 H new ATOM 0 HG2 LYS A 6 71.829 1.991 12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 6 70.164 1.567 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.052 2.977 9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.397 1.943 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.128 -0.055 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.597 0.753 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 69.564 0.780 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.508 2.178 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.254 0.692 7.513 1.00 0.00 H new ATOM 106 N ALA A 7 68.529 5.390 13.482 1.00 0.00 N ATOM 107 CA ALA A 7 67.923 5.805 14.785 1.00 0.00 C ATOM 108 C ALA A 7 66.392 5.691 14.711 1.00 0.00 C ATOM 109 O ALA A 7 65.749 5.287 15.661 1.00 0.00 O ATOM 110 CB ALA A 7 68.347 7.263 14.981 1.00 0.00 C ATOM 0 H ALA A 7 69.034 6.126 12.987 1.00 0.00 H new ATOM 0 HA ALA A 7 68.251 5.177 15.613 1.00 0.00 H new ATOM 0 HB1 ALA A 7 67.938 7.638 15.920 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.435 7.325 15.008 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.970 7.866 14.155 1.00 0.00 H new ATOM 116 N ALA A 8 65.807 6.031 13.581 1.00 0.00 N ATOM 117 CA ALA A 8 64.319 5.927 13.434 1.00 0.00 C ATOM 118 C ALA A 8 63.870 4.478 13.676 1.00 0.00 C ATOM 119 O ALA A 8 62.820 4.233 14.238 1.00 0.00 O ATOM 120 CB ALA A 8 64.022 6.353 11.992 1.00 0.00 C ATOM 0 H ALA A 8 66.298 6.376 12.756 1.00 0.00 H new ATOM 0 HA ALA A 8 63.788 6.552 14.152 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.948 6.302 11.811 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.368 7.375 11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.538 5.686 11.302 1.00 0.00 H new ATOM 126 N VAL A 9 64.672 3.520 13.273 1.00 0.00 N ATOM 127 CA VAL A 9 64.310 2.084 13.498 1.00 0.00 C ATOM 128 C VAL A 9 64.189 1.816 15.006 1.00 0.00 C ATOM 129 O VAL A 9 63.281 1.142 15.452 1.00 0.00 O ATOM 130 CB VAL A 9 65.463 1.277 12.883 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.380 -0.185 13.333 1.00 0.00 C ATOM 132 CG2 VAL A 9 65.372 1.339 11.356 1.00 0.00 C ATOM 0 H VAL A 9 65.562 3.671 12.798 1.00 0.00 H new ATOM 0 HA VAL A 9 63.355 1.813 13.048 1.00 0.00 H new ATOM 0 HB VAL A 9 66.410 1.703 13.215 1.00 0.00 H new ATOM 0 HG11 VAL A 9 66.202 -0.749 12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 9 65.448 -0.236 14.420 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.431 -0.612 13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 9 66.190 0.766 10.919 1.00 0.00 H new ATOM 0 HG22 VAL A 9 64.421 0.918 11.031 1.00 0.00 H new ATOM 0 HG23 VAL A 9 65.440 2.377 11.029 1.00 0.00 H new ATOM 142 N GLU A 10 65.091 2.358 15.790 1.00 0.00 N ATOM 143 CA GLU A 10 65.029 2.160 17.274 1.00 0.00 C ATOM 144 C GLU A 10 63.823 2.913 17.861 1.00 0.00 C ATOM 145 O GLU A 10 63.290 2.538 18.888 1.00 0.00 O ATOM 146 CB GLU A 10 66.337 2.749 17.814 1.00 0.00 C ATOM 147 CG GLU A 10 67.510 1.829 17.459 1.00 0.00 C ATOM 148 CD GLU A 10 68.789 2.659 17.314 1.00 0.00 C ATOM 149 OE1 GLU A 10 69.343 3.040 18.331 1.00 0.00 O ATOM 150 OE2 GLU A 10 69.193 2.898 16.188 1.00 0.00 O ATOM 0 H GLU A 10 65.870 2.931 15.465 1.00 0.00 H new ATOM 0 HA GLU A 10 64.913 1.110 17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 10 66.501 3.741 17.392 1.00 0.00 H new ATOM 0 HB3 GLU A 10 66.272 2.869 18.895 1.00 0.00 H new ATOM 0 HG2 GLU A 10 67.640 1.074 18.234 1.00 0.00 H new ATOM 0 HG3 GLU A 10 67.301 1.299 16.530 1.00 0.00 H new ATOM 157 N GLN A 11 63.392 3.972 17.213 1.00 0.00 N ATOM 158 CA GLN A 11 62.220 4.755 17.724 1.00 0.00 C ATOM 159 C GLN A 11 60.912 3.988 17.490 1.00 0.00 C ATOM 160 O GLN A 11 60.003 4.040 18.296 1.00 0.00 O ATOM 161 CB GLN A 11 62.214 6.052 16.908 1.00 0.00 C ATOM 162 CG GLN A 11 63.183 7.060 17.529 1.00 0.00 C ATOM 163 CD GLN A 11 62.619 8.474 17.371 1.00 0.00 C ATOM 164 OE1 GLN A 11 62.469 8.963 16.268 1.00 0.00 O ATOM 165 NE2 GLN A 11 62.294 9.158 18.432 1.00 0.00 N ATOM 0 H GLN A 11 63.803 4.328 16.350 1.00 0.00 H new ATOM 0 HA GLN A 11 62.298 4.939 18.796 1.00 0.00 H new ATOM 0 HB2 GLN A 11 62.501 5.845 15.877 1.00 0.00 H new ATOM 0 HB3 GLN A 11 61.208 6.470 16.881 1.00 0.00 H new ATOM 0 HG2 GLN A 11 63.334 6.833 18.584 1.00 0.00 H new ATOM 0 HG3 GLN A 11 64.157 6.989 17.045 1.00 0.00 H new ATOM 0 HE21 GLN A 11 62.418 8.751 19.359 1.00 0.00 H new ATOM 0 HE22 GLN A 11 61.915 10.100 18.335 1.00 0.00 H new ATOM 174 N LEU A 12 60.811 3.284 16.386 1.00 0.00 N ATOM 175 CA LEU A 12 59.562 2.516 16.087 1.00 0.00 C ATOM 176 C LEU A 12 59.270 1.503 17.203 1.00 0.00 C ATOM 177 O LEU A 12 60.157 0.823 17.685 1.00 0.00 O ATOM 178 CB LEU A 12 59.844 1.791 14.766 1.00 0.00 C ATOM 179 CG LEU A 12 59.791 2.787 13.603 1.00 0.00 C ATOM 180 CD1 LEU A 12 60.621 2.254 12.434 1.00 0.00 C ATOM 181 CD2 LEU A 12 58.341 2.968 13.152 1.00 0.00 C ATOM 0 H LEU A 12 61.542 3.209 15.679 1.00 0.00 H new ATOM 0 HA LEU A 12 58.691 3.168 16.019 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.824 1.315 14.804 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.111 0.999 14.612 1.00 0.00 H new ATOM 0 HG LEU A 12 60.195 3.745 13.930 1.00 0.00 H new ATOM 0 HD11 LEU A 12 60.583 2.963 11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 12 61.655 2.123 12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.217 1.295 12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 12 58.303 3.677 12.325 1.00 0.00 H new ATOM 0 HD22 LEU A 12 57.939 2.009 12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 12 57.746 3.348 13.983 1.00 0.00 H new ATOM 193 N THR A 13 58.032 1.399 17.615 1.00 0.00 N ATOM 194 CA THR A 13 57.678 0.429 18.701 1.00 0.00 C ATOM 195 C THR A 13 57.512 -0.974 18.126 1.00 0.00 C ATOM 196 O THR A 13 57.519 -1.171 16.923 1.00 0.00 O ATOM 197 CB THR A 13 56.348 0.927 19.289 1.00 0.00 C ATOM 198 OG1 THR A 13 55.352 0.934 18.275 1.00 0.00 O ATOM 199 CG2 THR A 13 56.517 2.343 19.847 1.00 0.00 C ATOM 0 H THR A 13 57.250 1.942 17.248 1.00 0.00 H new ATOM 0 HA THR A 13 58.458 0.375 19.461 1.00 0.00 H new ATOM 0 HB THR A 13 56.045 0.259 20.096 1.00 0.00 H new ATOM 0 HG1 THR A 13 55.397 1.778 17.778 1.00 0.00 H new ATOM 0 HG21 THR A 13 55.569 2.686 20.261 1.00 0.00 H new ATOM 0 HG22 THR A 13 57.275 2.337 20.631 1.00 0.00 H new ATOM 0 HG23 THR A 13 56.828 3.015 19.047 1.00 0.00 H new ATOM 207 N GLU A 14 57.361 -1.954 18.978 1.00 0.00 N ATOM 208 CA GLU A 14 57.190 -3.350 18.484 1.00 0.00 C ATOM 209 C GLU A 14 55.979 -3.429 17.543 1.00 0.00 C ATOM 210 O GLU A 14 55.980 -4.170 16.579 1.00 0.00 O ATOM 211 CB GLU A 14 56.967 -4.202 19.733 1.00 0.00 C ATOM 212 CG GLU A 14 57.584 -5.585 19.512 1.00 0.00 C ATOM 213 CD GLU A 14 56.508 -6.560 19.028 1.00 0.00 C ATOM 214 OE1 GLU A 14 55.698 -6.972 19.842 1.00 0.00 O ATOM 215 OE2 GLU A 14 56.517 -6.881 17.852 1.00 0.00 O ATOM 0 H GLU A 14 57.349 -1.847 19.992 1.00 0.00 H new ATOM 0 HA GLU A 14 58.055 -3.696 17.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 57.420 -3.723 20.601 1.00 0.00 H new ATOM 0 HB3 GLU A 14 55.901 -4.294 19.940 1.00 0.00 H new ATOM 0 HG2 GLU A 14 58.388 -5.522 18.778 1.00 0.00 H new ATOM 0 HG3 GLU A 14 58.027 -5.948 20.439 1.00 0.00 H new ATOM 222 N GLU A 15 54.957 -2.652 17.813 1.00 0.00 N ATOM 223 CA GLU A 15 53.742 -2.653 16.939 1.00 0.00 C ATOM 224 C GLU A 15 54.139 -2.302 15.499 1.00 0.00 C ATOM 225 O GLU A 15 53.871 -3.046 14.576 1.00 0.00 O ATOM 226 CB GLU A 15 52.825 -1.568 17.521 1.00 0.00 C ATOM 227 CG GLU A 15 52.404 -1.942 18.949 1.00 0.00 C ATOM 228 CD GLU A 15 53.213 -1.119 19.958 1.00 0.00 C ATOM 229 OE1 GLU A 15 52.797 -0.013 20.261 1.00 0.00 O ATOM 230 OE2 GLU A 15 54.240 -1.607 20.403 1.00 0.00 O ATOM 0 H GLU A 15 54.913 -2.013 18.607 1.00 0.00 H new ATOM 0 HA GLU A 15 53.250 -3.626 16.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 53.342 -0.608 17.526 1.00 0.00 H new ATOM 0 HB3 GLU A 15 51.942 -1.451 16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 15 51.339 -1.756 19.085 1.00 0.00 H new ATOM 0 HG3 GLU A 15 52.567 -3.006 19.120 1.00 0.00 H new ATOM 237 N GLN A 16 54.790 -1.177 15.307 1.00 0.00 N ATOM 238 CA GLN A 16 55.221 -0.780 13.928 1.00 0.00 C ATOM 239 C GLN A 16 56.265 -1.762 13.399 1.00 0.00 C ATOM 240 O GLN A 16 56.268 -2.116 12.236 1.00 0.00 O ATOM 241 CB GLN A 16 55.818 0.622 14.071 1.00 0.00 C ATOM 242 CG GLN A 16 54.711 1.668 13.895 1.00 0.00 C ATOM 243 CD GLN A 16 54.913 2.804 14.900 1.00 0.00 C ATOM 244 OE1 GLN A 16 54.644 2.648 16.072 1.00 0.00 O ATOM 245 NE2 GLN A 16 55.376 3.951 14.489 1.00 0.00 N ATOM 0 H GLN A 16 55.041 -0.519 16.045 1.00 0.00 H new ATOM 0 HA GLN A 16 54.390 -0.789 13.222 1.00 0.00 H new ATOM 0 HB2 GLN A 16 56.285 0.732 15.050 1.00 0.00 H new ATOM 0 HB3 GLN A 16 56.599 0.774 13.326 1.00 0.00 H new ATOM 0 HG2 GLN A 16 54.727 2.061 12.879 1.00 0.00 H new ATOM 0 HG3 GLN A 16 53.734 1.207 14.043 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.603 4.086 13.504 1.00 0.00 H new ATOM 0 HE22 GLN A 16 55.511 4.714 15.153 1.00 0.00 H new ATOM 254 N LYS A 17 57.134 -2.215 14.256 1.00 0.00 N ATOM 255 CA LYS A 17 58.180 -3.198 13.833 1.00 0.00 C ATOM 256 C LYS A 17 57.500 -4.454 13.274 1.00 0.00 C ATOM 257 O LYS A 17 57.824 -4.918 12.196 1.00 0.00 O ATOM 258 CB LYS A 17 58.965 -3.517 15.113 1.00 0.00 C ATOM 259 CG LYS A 17 59.955 -4.661 14.856 1.00 0.00 C ATOM 260 CD LYS A 17 59.707 -5.793 15.862 1.00 0.00 C ATOM 261 CE LYS A 17 58.993 -6.956 15.168 1.00 0.00 C ATOM 262 NZ LYS A 17 58.566 -7.867 16.269 1.00 0.00 N ATOM 0 H LYS A 17 57.169 -1.947 15.240 1.00 0.00 H new ATOM 0 HA LYS A 17 58.836 -2.814 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.502 -2.630 15.449 1.00 0.00 H new ATOM 0 HB3 LYS A 17 58.276 -3.795 15.911 1.00 0.00 H new ATOM 0 HG2 LYS A 17 59.839 -5.034 13.838 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.978 -4.297 14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 17 60.654 -6.134 16.281 1.00 0.00 H new ATOM 0 HD3 LYS A 17 59.104 -5.428 16.693 1.00 0.00 H new ATOM 0 HE2 LYS A 17 58.136 -6.605 14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 17 59.658 -7.466 14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 57.826 -8.509 15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 59.382 -8.424 16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 58.192 -7.304 17.060 1.00 0.00 H new ATOM 276 N ASN A 18 56.543 -4.989 13.993 1.00 0.00 N ATOM 277 CA ASN A 18 55.818 -6.199 13.500 1.00 0.00 C ATOM 278 C ASN A 18 54.916 -5.809 12.318 1.00 0.00 C ATOM 279 O ASN A 18 54.739 -6.571 11.387 1.00 0.00 O ATOM 280 CB ASN A 18 54.988 -6.689 14.694 1.00 0.00 C ATOM 281 CG ASN A 18 55.180 -8.198 14.865 1.00 0.00 C ATOM 282 OD1 ASN A 18 56.294 -8.685 14.869 1.00 0.00 O ATOM 283 ND2 ASN A 18 54.136 -8.967 15.010 1.00 0.00 N ATOM 0 H ASN A 18 56.234 -4.639 14.900 1.00 0.00 H new ATOM 0 HA ASN A 18 56.491 -6.979 13.145 1.00 0.00 H new ATOM 0 HB2 ASN A 18 55.294 -6.168 15.601 1.00 0.00 H new ATOM 0 HB3 ASN A 18 53.934 -6.462 14.535 1.00 0.00 H new ATOM 0 HD21 ASN A 18 54.256 -9.973 15.126 1.00 0.00 H new ATOM 0 HD22 ASN A 18 53.200 -8.562 15.007 1.00 0.00 H new ATOM 290 N GLU A 19 54.363 -4.616 12.346 1.00 0.00 N ATOM 291 CA GLU A 19 53.487 -4.147 11.222 1.00 0.00 C ATOM 292 C GLU A 19 54.255 -4.213 9.892 1.00 0.00 C ATOM 293 O GLU A 19 53.762 -4.730 8.907 1.00 0.00 O ATOM 294 CB GLU A 19 53.145 -2.693 11.565 1.00 0.00 C ATOM 295 CG GLU A 19 51.775 -2.627 12.244 1.00 0.00 C ATOM 296 CD GLU A 19 51.506 -1.193 12.708 1.00 0.00 C ATOM 297 OE1 GLU A 19 51.025 -0.412 11.904 1.00 0.00 O ATOM 298 OE2 GLU A 19 51.787 -0.900 13.859 1.00 0.00 O ATOM 0 H GLU A 19 54.482 -3.944 13.104 1.00 0.00 H new ATOM 0 HA GLU A 19 52.594 -4.762 11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.907 -2.276 12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.141 -2.088 10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 19 50.998 -2.949 11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.745 -3.308 13.095 1.00 0.00 H new ATOM 305 N PHE A 20 55.463 -3.699 9.866 1.00 0.00 N ATOM 306 CA PHE A 20 56.275 -3.735 8.608 1.00 0.00 C ATOM 307 C PHE A 20 56.643 -5.182 8.256 1.00 0.00 C ATOM 308 O PHE A 20 56.643 -5.557 7.101 1.00 0.00 O ATOM 309 CB PHE A 20 57.536 -2.915 8.907 1.00 0.00 C ATOM 310 CG PHE A 20 57.184 -1.448 9.039 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.298 -0.847 8.133 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.747 -0.688 10.071 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.977 0.509 8.263 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.426 0.667 10.199 1.00 0.00 C ATOM 315 CZ PHE A 20 56.542 1.266 9.297 1.00 0.00 C ATOM 0 H PHE A 20 55.921 -3.256 10.662 1.00 0.00 H new ATOM 0 HA PHE A 20 55.726 -3.329 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 20 58.000 -3.270 9.827 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.266 -3.051 8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.863 -1.431 7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.430 -1.149 10.769 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.294 0.972 7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.862 1.251 10.996 1.00 0.00 H new ATOM 0 HZ PHE A 20 56.295 2.312 9.397 1.00 0.00 H new ATOM 325 N LYS A 21 56.947 -5.997 9.242 1.00 0.00 N ATOM 326 CA LYS A 21 57.305 -7.427 8.962 1.00 0.00 C ATOM 327 C LYS A 21 56.165 -8.110 8.189 1.00 0.00 C ATOM 328 O LYS A 21 56.381 -8.684 7.140 1.00 0.00 O ATOM 329 CB LYS A 21 57.504 -8.071 10.346 1.00 0.00 C ATOM 330 CG LYS A 21 57.333 -9.594 10.260 1.00 0.00 C ATOM 331 CD LYS A 21 58.454 -10.197 9.403 1.00 0.00 C ATOM 332 CE LYS A 21 58.557 -11.702 9.675 1.00 0.00 C ATOM 333 NZ LYS A 21 58.768 -12.328 8.337 1.00 0.00 N ATOM 0 H LYS A 21 56.963 -5.734 10.227 1.00 0.00 H new ATOM 0 HA LYS A 21 58.201 -7.522 8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.497 -7.832 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 21 56.784 -7.658 11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.354 -10.028 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 21 56.362 -9.836 9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 21 58.252 -10.021 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 21 59.402 -9.710 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 21 59.384 -11.925 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 57.650 -12.080 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 58.831 -13.361 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.970 -12.092 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 59.651 -11.969 7.921 1.00 0.00 H new ATOM 347 N ALA A 22 54.956 -8.040 8.697 1.00 0.00 N ATOM 348 CA ALA A 22 53.800 -8.676 7.986 1.00 0.00 C ATOM 349 C ALA A 22 53.636 -8.058 6.591 1.00 0.00 C ATOM 350 O ALA A 22 53.476 -8.758 5.609 1.00 0.00 O ATOM 351 CB ALA A 22 52.581 -8.373 8.858 1.00 0.00 C ATOM 0 H ALA A 22 54.720 -7.571 9.572 1.00 0.00 H new ATOM 0 HA ALA A 22 53.939 -9.748 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.691 -8.807 8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.727 -8.802 9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.455 -7.294 8.944 1.00 0.00 H new ATOM 357 N ALA A 23 53.691 -6.749 6.501 1.00 0.00 N ATOM 358 CA ALA A 23 53.559 -6.074 5.172 1.00 0.00 C ATOM 359 C ALA A 23 54.705 -6.512 4.248 1.00 0.00 C ATOM 360 O ALA A 23 54.515 -6.705 3.062 1.00 0.00 O ATOM 361 CB ALA A 23 53.650 -4.575 5.472 1.00 0.00 C ATOM 0 H ALA A 23 53.822 -6.119 7.293 1.00 0.00 H new ATOM 0 HA ALA A 23 52.626 -6.327 4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.561 -4.012 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.844 -4.290 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.610 -4.355 5.939 1.00 0.00 H new ATOM 367 N PHE A 24 55.888 -6.682 4.791 1.00 0.00 N ATOM 368 CA PHE A 24 57.053 -7.122 3.963 1.00 0.00 C ATOM 369 C PHE A 24 56.786 -8.517 3.382 1.00 0.00 C ATOM 370 O PHE A 24 57.013 -8.759 2.212 1.00 0.00 O ATOM 371 CB PHE A 24 58.239 -7.161 4.933 1.00 0.00 C ATOM 372 CG PHE A 24 59.536 -7.161 4.157 1.00 0.00 C ATOM 373 CD1 PHE A 24 60.146 -5.948 3.823 1.00 0.00 C ATOM 374 CD2 PHE A 24 60.130 -8.372 3.777 1.00 0.00 C ATOM 375 CE1 PHE A 24 61.349 -5.942 3.109 1.00 0.00 C ATOM 376 CE2 PHE A 24 61.335 -8.366 3.063 1.00 0.00 C ATOM 377 CZ PHE A 24 61.945 -7.151 2.729 1.00 0.00 C ATOM 0 H PHE A 24 56.096 -6.533 5.778 1.00 0.00 H new ATOM 0 HA PHE A 24 57.240 -6.455 3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.204 -6.299 5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 24 58.179 -8.051 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.688 -5.015 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.659 -9.309 4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.818 -5.004 2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.794 -9.299 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.874 -7.146 2.179 1.00 0.00 H new ATOM 387 N ASP A 25 56.296 -9.430 4.191 1.00 0.00 N ATOM 388 CA ASP A 25 56.001 -10.809 3.685 1.00 0.00 C ATOM 389 C ASP A 25 55.036 -10.735 2.493 1.00 0.00 C ATOM 390 O ASP A 25 55.224 -11.397 1.490 1.00 0.00 O ATOM 391 CB ASP A 25 55.350 -11.547 4.862 1.00 0.00 C ATOM 392 CG ASP A 25 56.424 -11.994 5.857 1.00 0.00 C ATOM 393 OD1 ASP A 25 57.286 -12.764 5.467 1.00 0.00 O ATOM 394 OD2 ASP A 25 56.367 -11.560 6.995 1.00 0.00 O ATOM 0 H ASP A 25 56.088 -9.279 5.178 1.00 0.00 H new ATOM 0 HA ASP A 25 56.899 -11.321 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.631 -10.895 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 25 54.797 -12.413 4.498 1.00 0.00 H new ATOM 399 N ILE A 26 54.015 -9.918 2.594 1.00 0.00 N ATOM 400 CA ILE A 26 53.040 -9.776 1.465 1.00 0.00 C ATOM 401 C ILE A 26 53.697 -9.015 0.301 1.00 0.00 C ATOM 402 O ILE A 26 53.400 -9.256 -0.855 1.00 0.00 O ATOM 403 CB ILE A 26 51.866 -8.973 2.045 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.181 -9.785 3.149 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.850 -8.667 0.942 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.470 -8.833 4.114 1.00 0.00 C ATOM 0 H ILE A 26 53.814 -9.342 3.411 1.00 0.00 H new ATOM 0 HA ILE A 26 52.713 -10.739 1.074 1.00 0.00 H new ATOM 0 HB ILE A 26 52.246 -8.039 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.464 -10.480 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.917 -10.382 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 26 50.020 -8.097 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 26 51.331 -8.084 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.475 -9.601 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.982 -9.409 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.198 -8.156 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.722 -8.255 3.570 1.00 0.00 H new ATOM 418 N PHE A 27 54.590 -8.101 0.604 1.00 0.00 N ATOM 419 CA PHE A 27 55.280 -7.320 -0.472 1.00 0.00 C ATOM 420 C PHE A 27 56.116 -8.254 -1.360 1.00 0.00 C ATOM 421 O PHE A 27 56.108 -8.136 -2.570 1.00 0.00 O ATOM 422 CB PHE A 27 56.190 -6.329 0.268 1.00 0.00 C ATOM 423 CG PHE A 27 55.769 -4.910 -0.043 1.00 0.00 C ATOM 424 CD1 PHE A 27 56.106 -4.333 -1.273 1.00 0.00 C ATOM 425 CD2 PHE A 27 55.045 -4.170 0.901 1.00 0.00 C ATOM 426 CE1 PHE A 27 55.721 -3.017 -1.560 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.661 -2.855 0.613 1.00 0.00 C ATOM 428 CZ PHE A 27 54.998 -2.279 -0.616 1.00 0.00 C ATOM 0 H PHE A 27 54.871 -7.862 1.555 1.00 0.00 H new ATOM 0 HA PHE A 27 54.570 -6.812 -1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 27 56.137 -6.506 1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 27 57.227 -6.483 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 27 56.663 -4.903 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.783 -4.614 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.982 -2.572 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.104 -2.284 1.341 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.700 -1.265 -0.837 1.00 0.00 H new ATOM 438 N VAL A 28 56.837 -9.179 -0.770 1.00 0.00 N ATOM 439 CA VAL A 28 57.671 -10.115 -1.590 1.00 0.00 C ATOM 440 C VAL A 28 57.091 -11.543 -1.557 1.00 0.00 C ATOM 441 O VAL A 28 57.724 -12.478 -1.101 1.00 0.00 O ATOM 442 CB VAL A 28 59.088 -10.057 -0.980 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.040 -10.369 0.519 1.00 0.00 C ATOM 444 CG2 VAL A 28 60.001 -11.074 -1.676 1.00 0.00 C ATOM 0 H VAL A 28 56.884 -9.326 0.238 1.00 0.00 H new ATOM 0 HA VAL A 28 57.687 -9.827 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 28 59.482 -9.051 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 28 60.047 -10.324 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 28 58.408 -9.638 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.631 -11.368 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 28 60.999 -11.026 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 28 59.595 -12.077 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 28 60.059 -10.843 -2.740 1.00 0.00 H new ATOM 454 N LEU A 29 55.900 -11.725 -2.074 1.00 0.00 N ATOM 455 CA LEU A 29 55.304 -13.100 -2.114 1.00 0.00 C ATOM 456 C LEU A 29 55.921 -13.838 -3.305 1.00 0.00 C ATOM 457 O LEU A 29 55.330 -13.942 -4.365 1.00 0.00 O ATOM 458 CB LEU A 29 53.799 -12.894 -2.314 1.00 0.00 C ATOM 459 CG LEU A 29 53.142 -12.544 -0.976 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.733 -12.001 -1.224 1.00 0.00 C ATOM 461 CD2 LEU A 29 53.055 -13.801 -0.108 1.00 0.00 C ATOM 0 H LEU A 29 55.317 -10.987 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 29 55.490 -13.683 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.624 -12.096 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.350 -13.798 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 29 53.739 -11.788 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.266 -11.752 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 29 51.792 -11.106 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.136 -12.757 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 29 52.587 -13.553 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 29 52.458 -14.556 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 29 54.057 -14.190 0.070 1.00 0.00 H new ATOM 473 N GLY A 30 57.137 -14.295 -3.151 1.00 0.00 N ATOM 474 CA GLY A 30 57.842 -14.967 -4.280 1.00 0.00 C ATOM 475 C GLY A 30 58.742 -13.920 -4.938 1.00 0.00 C ATOM 476 O GLY A 30 59.941 -14.096 -5.042 1.00 0.00 O ATOM 0 H GLY A 30 57.674 -14.230 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 30 58.432 -15.809 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 30 57.126 -15.365 -4.999 1.00 0.00 H new ATOM 480 N ALA A 31 58.156 -12.813 -5.349 1.00 0.00 N ATOM 481 CA ALA A 31 58.934 -11.695 -5.977 1.00 0.00 C ATOM 482 C ALA A 31 59.796 -12.184 -7.151 1.00 0.00 C ATOM 483 O ALA A 31 59.653 -13.296 -7.627 1.00 0.00 O ATOM 484 CB ALA A 31 59.811 -11.145 -4.845 1.00 0.00 C ATOM 0 H ALA A 31 57.154 -12.638 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 31 58.274 -10.937 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.415 -10.320 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 31 59.177 -10.790 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 31 60.465 -11.935 -4.475 1.00 0.00 H new ATOM 490 N GLU A 32 60.683 -11.346 -7.624 1.00 0.00 N ATOM 491 CA GLU A 32 61.560 -11.734 -8.768 1.00 0.00 C ATOM 492 C GLU A 32 62.979 -12.040 -8.274 1.00 0.00 C ATOM 493 O GLU A 32 63.550 -13.062 -8.599 1.00 0.00 O ATOM 494 CB GLU A 32 61.568 -10.510 -9.688 1.00 0.00 C ATOM 495 CG GLU A 32 60.264 -10.459 -10.492 1.00 0.00 C ATOM 496 CD GLU A 32 60.577 -10.330 -11.985 1.00 0.00 C ATOM 497 OE1 GLU A 32 61.235 -9.370 -12.355 1.00 0.00 O ATOM 498 OE2 GLU A 32 60.144 -11.188 -12.736 1.00 0.00 O ATOM 0 H GLU A 32 60.838 -10.404 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 32 61.203 -12.630 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 32 61.678 -9.600 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 32 62.422 -10.557 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 32 59.679 -11.361 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 32 59.657 -9.615 -10.164 1.00 0.00 H new ATOM 505 N ASP A 33 63.552 -11.152 -7.497 1.00 0.00 N ATOM 506 CA ASP A 33 64.943 -11.373 -6.985 1.00 0.00 C ATOM 507 C ASP A 33 64.939 -11.785 -5.500 1.00 0.00 C ATOM 508 O ASP A 33 65.983 -12.029 -4.924 1.00 0.00 O ATOM 509 CB ASP A 33 65.642 -10.016 -7.156 1.00 0.00 C ATOM 510 CG ASP A 33 65.428 -9.491 -8.578 1.00 0.00 C ATOM 511 OD1 ASP A 33 66.162 -9.905 -9.459 1.00 0.00 O ATOM 512 OD2 ASP A 33 64.532 -8.681 -8.759 1.00 0.00 O ATOM 0 H ASP A 33 63.115 -10.281 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 33 65.444 -12.178 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 33 65.249 -9.302 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 33 66.708 -10.119 -6.954 1.00 0.00 H new ATOM 517 N GLY A 34 63.787 -11.854 -4.871 1.00 0.00 N ATOM 518 CA GLY A 34 63.741 -12.237 -3.425 1.00 0.00 C ATOM 519 C GLY A 34 63.383 -11.009 -2.576 1.00 0.00 C ATOM 520 O GLY A 34 62.873 -11.135 -1.481 1.00 0.00 O ATOM 0 H GLY A 34 62.880 -11.662 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 34 63.004 -13.025 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 34 64.706 -12.638 -3.114 1.00 0.00 H new ATOM 524 N CYS A 35 63.639 -9.824 -3.081 1.00 0.00 N ATOM 525 CA CYS A 35 63.305 -8.581 -2.321 1.00 0.00 C ATOM 526 C CYS A 35 62.141 -7.855 -3.013 1.00 0.00 C ATOM 527 O CYS A 35 61.492 -8.405 -3.883 1.00 0.00 O ATOM 528 CB CYS A 35 64.583 -7.735 -2.368 1.00 0.00 C ATOM 529 SG CYS A 35 65.507 -7.947 -0.826 1.00 0.00 S ATOM 0 H CYS A 35 64.068 -9.666 -3.993 1.00 0.00 H new ATOM 0 HA CYS A 35 62.995 -8.781 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.198 -8.034 -3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.331 -6.684 -2.511 1.00 0.00 H new ATOM 0 HG CYS A 35 66.591 -7.231 -0.868 1.00 0.00 H new ATOM 535 N ILE A 36 61.869 -6.628 -2.641 1.00 0.00 N ATOM 536 CA ILE A 36 60.747 -5.885 -3.292 1.00 0.00 C ATOM 537 C ILE A 36 61.270 -5.081 -4.492 1.00 0.00 C ATOM 538 O ILE A 36 61.808 -3.998 -4.345 1.00 0.00 O ATOM 539 CB ILE A 36 60.183 -4.959 -2.205 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.490 -5.802 -1.130 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.163 -3.996 -2.821 1.00 0.00 C ATOM 542 CD1 ILE A 36 60.350 -5.828 0.133 1.00 0.00 C ATOM 0 H ILE A 36 62.372 -6.112 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 36 59.978 -6.554 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 36 60.999 -4.389 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.508 -5.387 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.331 -6.817 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.766 -3.341 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.648 -3.395 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.348 -4.566 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 36 59.856 -6.428 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 36 61.322 -6.263 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 36 60.486 -4.811 0.502 1.00 0.00 H new ATOM 554 N SER A 37 61.111 -5.608 -5.680 1.00 0.00 N ATOM 555 CA SER A 37 61.588 -4.887 -6.903 1.00 0.00 C ATOM 556 C SER A 37 60.442 -4.058 -7.510 1.00 0.00 C ATOM 557 O SER A 37 59.423 -3.842 -6.881 1.00 0.00 O ATOM 558 CB SER A 37 62.035 -5.992 -7.868 1.00 0.00 C ATOM 559 OG SER A 37 60.907 -6.490 -8.583 1.00 0.00 O ATOM 0 H SER A 37 60.670 -6.510 -5.858 1.00 0.00 H new ATOM 0 HA SER A 37 62.398 -4.191 -6.686 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.776 -5.601 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.513 -6.800 -7.314 1.00 0.00 H new ATOM 0 HG SER A 37 60.540 -7.268 -8.114 1.00 0.00 H new ATOM 565 N THR A 38 60.601 -3.598 -8.728 1.00 0.00 N ATOM 566 CA THR A 38 59.520 -2.787 -9.383 1.00 0.00 C ATOM 567 C THR A 38 58.216 -3.593 -9.463 1.00 0.00 C ATOM 568 O THR A 38 57.140 -3.063 -9.258 1.00 0.00 O ATOM 569 CB THR A 38 60.038 -2.466 -10.792 1.00 0.00 C ATOM 570 OG1 THR A 38 60.552 -3.648 -11.394 1.00 0.00 O ATOM 571 CG2 THR A 38 61.146 -1.415 -10.705 1.00 0.00 C ATOM 0 H THR A 38 61.433 -3.748 -9.299 1.00 0.00 H new ATOM 0 HA THR A 38 59.300 -1.881 -8.818 1.00 0.00 H new ATOM 0 HB THR A 38 59.218 -2.079 -11.397 1.00 0.00 H new ATOM 0 HG1 THR A 38 60.880 -3.441 -12.294 1.00 0.00 H new ATOM 0 HG21 THR A 38 61.512 -1.189 -11.706 1.00 0.00 H new ATOM 0 HG22 THR A 38 60.751 -0.507 -10.249 1.00 0.00 H new ATOM 0 HG23 THR A 38 61.965 -1.799 -10.097 1.00 0.00 H new ATOM 579 N LYS A 39 58.306 -4.871 -9.751 1.00 0.00 N ATOM 580 CA LYS A 39 57.072 -5.717 -9.835 1.00 0.00 C ATOM 581 C LYS A 39 56.436 -5.862 -8.443 1.00 0.00 C ATOM 582 O LYS A 39 55.240 -5.707 -8.284 1.00 0.00 O ATOM 583 CB LYS A 39 57.548 -7.076 -10.363 1.00 0.00 C ATOM 584 CG LYS A 39 57.308 -7.155 -11.875 1.00 0.00 C ATOM 585 CD LYS A 39 58.233 -8.214 -12.481 1.00 0.00 C ATOM 586 CE LYS A 39 58.136 -8.174 -14.010 1.00 0.00 C ATOM 587 NZ LYS A 39 59.244 -9.049 -14.493 1.00 0.00 N ATOM 0 H LYS A 39 59.180 -5.364 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 39 56.314 -5.279 -10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.608 -7.211 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.014 -7.881 -9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.267 -7.407 -12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 39 57.496 -6.185 -12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 39 59.261 -8.034 -12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.957 -9.203 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 39 57.168 -8.538 -14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 39 58.245 -7.157 -14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 59.417 -8.865 -15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 60.108 -8.846 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 58.980 -10.047 -14.364 1.00 0.00 H new ATOM 601 N GLU A 40 57.229 -6.143 -7.435 1.00 0.00 N ATOM 602 CA GLU A 40 56.674 -6.285 -6.047 1.00 0.00 C ATOM 603 C GLU A 40 56.115 -4.937 -5.566 1.00 0.00 C ATOM 604 O GLU A 40 55.070 -4.873 -4.946 1.00 0.00 O ATOM 605 CB GLU A 40 57.861 -6.713 -5.176 1.00 0.00 C ATOM 606 CG GLU A 40 58.120 -8.217 -5.342 1.00 0.00 C ATOM 607 CD GLU A 40 58.994 -8.468 -6.575 1.00 0.00 C ATOM 608 OE1 GLU A 40 60.197 -8.300 -6.472 1.00 0.00 O ATOM 609 OE2 GLU A 40 58.446 -8.831 -7.602 1.00 0.00 O ATOM 0 H GLU A 40 58.237 -6.280 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 40 55.860 -7.008 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.751 -6.149 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.656 -6.484 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.612 -8.610 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.173 -8.748 -5.443 1.00 0.00 H new ATOM 616 N LEU A 41 56.804 -3.861 -5.863 1.00 0.00 N ATOM 617 CA LEU A 41 56.324 -2.507 -5.446 1.00 0.00 C ATOM 618 C LEU A 41 55.045 -2.154 -6.215 1.00 0.00 C ATOM 619 O LEU A 41 54.003 -1.917 -5.632 1.00 0.00 O ATOM 620 CB LEU A 41 57.464 -1.558 -5.834 1.00 0.00 C ATOM 621 CG LEU A 41 57.431 -0.274 -4.991 1.00 0.00 C ATOM 622 CD1 LEU A 41 56.014 0.016 -4.472 1.00 0.00 C ATOM 623 CD2 LEU A 41 58.387 -0.431 -3.806 1.00 0.00 C ATOM 0 H LEU A 41 57.684 -3.864 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 41 56.087 -2.449 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 41 58.421 -2.061 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.385 -1.304 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 41 57.739 0.562 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 41 56.024 0.931 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.335 0.138 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.677 -0.815 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 41 58.370 0.476 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.075 -1.279 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 41 59.398 -0.602 -4.175 1.00 0.00 H new ATOM 635 N GLY A 42 55.130 -2.123 -7.524 1.00 0.00 N ATOM 636 CA GLY A 42 53.940 -1.797 -8.374 1.00 0.00 C ATOM 637 C GLY A 42 52.728 -2.645 -7.953 1.00 0.00 C ATOM 638 O GLY A 42 51.601 -2.192 -8.018 1.00 0.00 O ATOM 0 H GLY A 42 55.985 -2.312 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.700 -0.738 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.173 -1.981 -9.423 1.00 0.00 H new ATOM 642 N LYS A 43 52.950 -3.867 -7.514 1.00 0.00 N ATOM 643 CA LYS A 43 51.808 -4.739 -7.077 1.00 0.00 C ATOM 644 C LYS A 43 50.973 -4.032 -5.996 1.00 0.00 C ATOM 645 O LYS A 43 49.762 -4.135 -5.971 1.00 0.00 O ATOM 646 CB LYS A 43 52.464 -6.001 -6.509 1.00 0.00 C ATOM 647 CG LYS A 43 51.442 -7.142 -6.476 1.00 0.00 C ATOM 648 CD LYS A 43 52.167 -8.479 -6.285 1.00 0.00 C ATOM 649 CE LYS A 43 52.740 -8.565 -4.864 1.00 0.00 C ATOM 650 NZ LYS A 43 52.599 -9.999 -4.476 1.00 0.00 N ATOM 0 H LYS A 43 53.872 -4.296 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 43 51.130 -4.966 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.321 -6.284 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.840 -5.807 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.731 -6.983 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 43 50.869 -7.157 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.477 -9.305 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 43 52.969 -8.575 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.783 -8.250 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.195 -7.915 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 52.907 -10.124 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 51.604 -10.287 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 53.188 -10.587 -5.100 1.00 0.00 H new ATOM 664 N VAL A 44 51.612 -3.306 -5.113 1.00 0.00 N ATOM 665 CA VAL A 44 50.863 -2.574 -4.043 1.00 0.00 C ATOM 666 C VAL A 44 50.508 -1.159 -4.530 1.00 0.00 C ATOM 667 O VAL A 44 49.509 -0.588 -4.132 1.00 0.00 O ATOM 668 CB VAL A 44 51.824 -2.507 -2.846 1.00 0.00 C ATOM 669 CG1 VAL A 44 51.113 -1.866 -1.653 1.00 0.00 C ATOM 670 CG2 VAL A 44 52.278 -3.920 -2.460 1.00 0.00 C ATOM 0 H VAL A 44 52.625 -3.188 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 44 49.929 -3.070 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 44 52.693 -1.910 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.796 -1.819 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.794 -0.858 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 44 50.242 -2.463 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.959 -3.864 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 44 51.409 -4.520 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.789 -4.382 -3.305 1.00 0.00 H new ATOM 680 N MET A 45 51.325 -0.594 -5.390 1.00 0.00 N ATOM 681 CA MET A 45 51.056 0.784 -5.916 1.00 0.00 C ATOM 682 C MET A 45 49.681 0.857 -6.600 1.00 0.00 C ATOM 683 O MET A 45 48.938 1.798 -6.402 1.00 0.00 O ATOM 684 CB MET A 45 52.172 1.043 -6.934 1.00 0.00 C ATOM 685 CG MET A 45 53.426 1.531 -6.208 1.00 0.00 C ATOM 686 SD MET A 45 53.363 3.331 -6.030 1.00 0.00 S ATOM 687 CE MET A 45 54.798 3.496 -4.941 1.00 0.00 C ATOM 0 H MET A 45 52.172 -1.032 -5.752 1.00 0.00 H new ATOM 0 HA MET A 45 51.042 1.525 -5.117 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.392 0.130 -7.487 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.848 1.787 -7.662 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.497 1.061 -5.227 1.00 0.00 H new ATOM 0 HG3 MET A 45 54.317 1.242 -6.765 1.00 0.00 H new ATOM 0 HE1 MET A 45 55.036 4.552 -4.811 1.00 0.00 H new ATOM 0 HE2 MET A 45 54.572 3.053 -3.971 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.652 2.983 -5.384 1.00 0.00 H new ATOM 697 N ARG A 46 49.342 -0.124 -7.406 1.00 0.00 N ATOM 698 CA ARG A 46 48.016 -0.106 -8.116 1.00 0.00 C ATOM 699 C ARG A 46 46.833 0.090 -7.143 1.00 0.00 C ATOM 700 O ARG A 46 45.743 0.436 -7.560 1.00 0.00 O ATOM 701 CB ARG A 46 47.920 -1.460 -8.839 1.00 0.00 C ATOM 702 CG ARG A 46 47.770 -2.608 -7.831 1.00 0.00 C ATOM 703 CD ARG A 46 46.951 -3.741 -8.466 1.00 0.00 C ATOM 704 NE ARG A 46 47.852 -4.933 -8.456 1.00 0.00 N ATOM 705 CZ ARG A 46 47.545 -5.979 -7.739 1.00 0.00 C ATOM 706 NH1 ARG A 46 47.883 -6.027 -6.484 1.00 0.00 N ATOM 707 NH2 ARG A 46 46.912 -6.981 -8.282 1.00 0.00 N ATOM 0 H ARG A 46 49.925 -0.937 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 46 47.958 0.733 -8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.068 -1.454 -9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 46 48.812 -1.617 -9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.752 -2.977 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.277 -2.251 -6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.039 -3.932 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.648 -3.486 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 46 48.708 -4.929 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 46 48.387 -5.248 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.644 -6.844 -5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.656 -6.948 -9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.673 -7.798 -7.720 1.00 0.00 H new ATOM 721 N MET A 47 47.028 -0.119 -5.861 1.00 0.00 N ATOM 722 CA MET A 47 45.901 0.069 -4.890 1.00 0.00 C ATOM 723 C MET A 47 45.745 1.549 -4.504 1.00 0.00 C ATOM 724 O MET A 47 44.657 1.997 -4.197 1.00 0.00 O ATOM 725 CB MET A 47 46.277 -0.755 -3.656 1.00 0.00 C ATOM 726 CG MET A 47 46.306 -2.241 -4.012 1.00 0.00 C ATOM 727 SD MET A 47 46.964 -3.173 -2.610 1.00 0.00 S ATOM 728 CE MET A 47 47.556 -4.602 -3.544 1.00 0.00 C ATOM 0 H MET A 47 47.914 -0.410 -5.447 1.00 0.00 H new ATOM 0 HA MET A 47 44.952 -0.248 -5.324 1.00 0.00 H new ATOM 0 HB2 MET A 47 47.252 -0.442 -3.283 1.00 0.00 H new ATOM 0 HB3 MET A 47 45.558 -0.578 -2.856 1.00 0.00 H new ATOM 0 HG2 MET A 47 45.302 -2.589 -4.257 1.00 0.00 H new ATOM 0 HG3 MET A 47 46.924 -2.404 -4.895 1.00 0.00 H new ATOM 0 HE1 MET A 47 47.177 -5.517 -3.088 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.203 -4.536 -4.573 1.00 0.00 H new ATOM 0 HE3 MET A 47 48.646 -4.617 -3.535 1.00 0.00 H new ATOM 738 N LEU A 48 46.818 2.307 -4.498 1.00 0.00 N ATOM 739 CA LEU A 48 46.714 3.747 -4.111 1.00 0.00 C ATOM 740 C LEU A 48 47.664 4.625 -4.947 1.00 0.00 C ATOM 741 O LEU A 48 47.268 5.656 -5.459 1.00 0.00 O ATOM 742 CB LEU A 48 47.112 3.769 -2.631 1.00 0.00 C ATOM 743 CG LEU A 48 47.247 5.214 -2.148 1.00 0.00 C ATOM 744 CD1 LEU A 48 45.898 5.710 -1.625 1.00 0.00 C ATOM 745 CD2 LEU A 48 48.285 5.279 -1.026 1.00 0.00 C ATOM 0 H LEU A 48 47.756 1.990 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 48 45.715 4.147 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 48 46.363 3.246 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.055 3.240 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 48 47.566 5.845 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.997 6.740 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 48 45.159 5.664 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 48 45.576 5.080 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 48 48.383 6.308 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 48 47.966 4.647 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 48 49.247 4.929 -1.400 1.00 0.00 H new ATOM 757 N GLY A 49 48.910 4.237 -5.077 1.00 0.00 N ATOM 758 CA GLY A 49 49.879 5.058 -5.864 1.00 0.00 C ATOM 759 C GLY A 49 49.963 4.539 -7.298 1.00 0.00 C ATOM 760 O GLY A 49 50.597 3.540 -7.567 1.00 0.00 O ATOM 0 H GLY A 49 49.297 3.385 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 49 49.566 6.102 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 49 50.863 5.020 -5.397 1.00 0.00 H new ATOM 764 N GLN A 50 49.324 5.216 -8.215 1.00 0.00 N ATOM 765 CA GLN A 50 49.345 4.785 -9.654 1.00 0.00 C ATOM 766 C GLN A 50 50.768 4.427 -10.122 1.00 0.00 C ATOM 767 O GLN A 50 51.739 5.052 -9.738 1.00 0.00 O ATOM 768 CB GLN A 50 48.812 5.990 -10.440 1.00 0.00 C ATOM 769 CG GLN A 50 49.584 7.255 -10.042 1.00 0.00 C ATOM 770 CD GLN A 50 50.567 7.645 -11.151 1.00 0.00 C ATOM 771 OE1 GLN A 50 50.165 8.094 -12.205 1.00 0.00 O ATOM 772 NE2 GLN A 50 51.847 7.498 -10.954 1.00 0.00 N ATOM 0 H GLN A 50 48.781 6.060 -8.031 1.00 0.00 H new ATOM 0 HA GLN A 50 48.744 3.888 -9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.915 5.812 -11.510 1.00 0.00 H new ATOM 0 HB3 GLN A 50 47.749 6.124 -10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 50 48.887 8.073 -9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 50 50.124 7.083 -9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 50 52.187 7.121 -10.069 1.00 0.00 H new ATOM 0 HE22 GLN A 50 52.509 7.760 -11.685 1.00 0.00 H new ATOM 781 N ASN A 51 50.885 3.427 -10.961 1.00 0.00 N ATOM 782 CA ASN A 51 52.228 3.012 -11.482 1.00 0.00 C ATOM 783 C ASN A 51 52.172 2.882 -13.015 1.00 0.00 C ATOM 784 O ASN A 51 51.820 1.842 -13.539 1.00 0.00 O ATOM 785 CB ASN A 51 52.539 1.656 -10.820 1.00 0.00 C ATOM 786 CG ASN A 51 51.288 0.768 -10.781 1.00 0.00 C ATOM 787 OD1 ASN A 51 50.472 0.888 -9.891 1.00 0.00 O ATOM 788 ND2 ASN A 51 51.104 -0.126 -11.711 1.00 0.00 N ATOM 0 H ASN A 51 50.102 2.875 -11.311 1.00 0.00 H new ATOM 0 HA ASN A 51 53.003 3.742 -11.250 1.00 0.00 H new ATOM 0 HB2 ASN A 51 53.332 1.151 -11.371 1.00 0.00 H new ATOM 0 HB3 ASN A 51 52.908 1.817 -9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 51 50.276 -0.722 -11.689 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.788 -0.230 -12.461 1.00 0.00 H new ATOM 795 N PRO A 52 52.515 3.958 -13.686 1.00 0.00 N ATOM 796 CA PRO A 52 52.492 3.973 -15.177 1.00 0.00 C ATOM 797 C PRO A 52 53.608 3.094 -15.764 1.00 0.00 C ATOM 798 O PRO A 52 53.413 2.419 -16.757 1.00 0.00 O ATOM 799 CB PRO A 52 52.717 5.444 -15.522 1.00 0.00 C ATOM 800 CG PRO A 52 53.430 6.013 -14.337 1.00 0.00 C ATOM 801 CD PRO A 52 52.951 5.248 -13.133 1.00 0.00 C ATOM 0 HA PRO A 52 51.564 3.575 -15.587 1.00 0.00 H new ATOM 0 HB2 PRO A 52 53.312 5.550 -16.429 1.00 0.00 H new ATOM 0 HB3 PRO A 52 51.772 5.957 -15.698 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.510 5.916 -14.452 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.215 7.076 -14.230 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.746 5.120 -12.399 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.133 5.764 -12.631 1.00 0.00 H new ATOM 809 N THR A 53 54.772 3.099 -15.165 1.00 0.00 N ATOM 810 CA THR A 53 55.897 2.264 -15.695 1.00 0.00 C ATOM 811 C THR A 53 56.755 1.729 -14.543 1.00 0.00 C ATOM 812 O THR A 53 56.821 2.330 -13.487 1.00 0.00 O ATOM 813 CB THR A 53 56.723 3.193 -16.607 1.00 0.00 C ATOM 814 OG1 THR A 53 58.036 2.670 -16.757 1.00 0.00 O ATOM 815 CG2 THR A 53 56.811 4.600 -16.005 1.00 0.00 C ATOM 0 H THR A 53 54.994 3.644 -14.332 1.00 0.00 H new ATOM 0 HA THR A 53 55.529 1.397 -16.244 1.00 0.00 H new ATOM 0 HB THR A 53 56.231 3.251 -17.578 1.00 0.00 H new ATOM 0 HG1 THR A 53 58.559 3.261 -17.338 1.00 0.00 H new ATOM 0 HG21 THR A 53 57.398 5.241 -16.663 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.808 5.013 -15.896 1.00 0.00 H new ATOM 0 HG23 THR A 53 57.290 4.548 -15.027 1.00 0.00 H new ATOM 823 N PRO A 54 57.392 0.609 -14.794 1.00 0.00 N ATOM 824 CA PRO A 54 58.268 -0.023 -13.771 1.00 0.00 C ATOM 825 C PRO A 54 59.518 0.836 -13.530 1.00 0.00 C ATOM 826 O PRO A 54 60.035 0.896 -12.429 1.00 0.00 O ATOM 827 CB PRO A 54 58.632 -1.370 -14.397 1.00 0.00 C ATOM 828 CG PRO A 54 58.476 -1.162 -15.869 1.00 0.00 C ATOM 829 CD PRO A 54 57.363 -0.163 -16.044 1.00 0.00 C ATOM 0 HA PRO A 54 57.789 -0.130 -12.798 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.652 -1.661 -14.145 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.976 -2.163 -14.038 1.00 0.00 H new ATOM 0 HG2 PRO A 54 59.402 -0.792 -16.309 1.00 0.00 H new ATOM 0 HG3 PRO A 54 58.238 -2.100 -16.370 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.529 0.474 -16.913 1.00 0.00 H new ATOM 0 HD3 PRO A 54 56.401 -0.655 -16.189 1.00 0.00 H new ATOM 837 N GLU A 55 59.996 1.509 -14.552 1.00 0.00 N ATOM 838 CA GLU A 55 61.205 2.378 -14.392 1.00 0.00 C ATOM 839 C GLU A 55 60.930 3.489 -13.370 1.00 0.00 C ATOM 840 O GLU A 55 61.810 3.890 -12.632 1.00 0.00 O ATOM 841 CB GLU A 55 61.461 2.975 -15.781 1.00 0.00 C ATOM 842 CG GLU A 55 61.968 1.886 -16.739 1.00 0.00 C ATOM 843 CD GLU A 55 63.179 1.170 -16.130 1.00 0.00 C ATOM 844 OE1 GLU A 55 64.256 1.742 -16.154 1.00 0.00 O ATOM 845 OE2 GLU A 55 63.005 0.062 -15.650 1.00 0.00 O ATOM 0 H GLU A 55 59.599 1.493 -15.491 1.00 0.00 H new ATOM 0 HA GLU A 55 62.066 1.818 -14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.543 3.415 -16.171 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.194 3.778 -15.711 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.173 1.167 -16.938 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.242 2.331 -17.695 1.00 0.00 H new ATOM 852 N GLU A 56 59.708 3.975 -13.311 1.00 0.00 N ATOM 853 CA GLU A 56 59.365 5.047 -12.323 1.00 0.00 C ATOM 854 C GLU A 56 59.690 4.562 -10.904 1.00 0.00 C ATOM 855 O GLU A 56 60.275 5.279 -10.114 1.00 0.00 O ATOM 856 CB GLU A 56 57.858 5.277 -12.491 1.00 0.00 C ATOM 857 CG GLU A 56 57.385 6.377 -11.531 1.00 0.00 C ATOM 858 CD GLU A 56 55.874 6.255 -11.310 1.00 0.00 C ATOM 859 OE1 GLU A 56 55.457 5.274 -10.716 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.160 7.147 -11.737 1.00 0.00 O ATOM 0 H GLU A 56 58.936 3.674 -13.905 1.00 0.00 H new ATOM 0 HA GLU A 56 59.929 5.965 -12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.638 5.561 -13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.316 4.352 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 56 57.909 6.293 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 56 57.624 7.358 -11.941 1.00 0.00 H new ATOM 867 N LEU A 57 59.334 3.339 -10.587 1.00 0.00 N ATOM 868 CA LEU A 57 59.641 2.795 -9.229 1.00 0.00 C ATOM 869 C LEU A 57 61.121 2.404 -9.150 1.00 0.00 C ATOM 870 O LEU A 57 61.734 2.492 -8.103 1.00 0.00 O ATOM 871 CB LEU A 57 58.755 1.557 -9.054 1.00 0.00 C ATOM 872 CG LEU A 57 57.260 1.931 -9.048 1.00 0.00 C ATOM 873 CD1 LEU A 57 57.058 3.357 -8.528 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.698 1.825 -10.468 1.00 0.00 C ATOM 0 H LEU A 57 58.845 2.696 -11.210 1.00 0.00 H new ATOM 0 HA LEU A 57 59.450 3.530 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 57 58.951 0.850 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.010 1.055 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 57 56.735 1.240 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.995 3.599 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.442 3.431 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.592 4.057 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.641 2.090 -10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.239 2.506 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.814 0.803 -10.830 1.00 0.00 H new ATOM 886 N GLN A 58 61.705 1.983 -10.252 1.00 0.00 N ATOM 887 CA GLN A 58 63.153 1.608 -10.237 1.00 0.00 C ATOM 888 C GLN A 58 63.967 2.782 -9.683 1.00 0.00 C ATOM 889 O GLN A 58 64.757 2.626 -8.772 1.00 0.00 O ATOM 890 CB GLN A 58 63.515 1.331 -11.702 1.00 0.00 C ATOM 891 CG GLN A 58 64.267 0.002 -11.799 1.00 0.00 C ATOM 892 CD GLN A 58 65.695 0.185 -11.282 1.00 0.00 C ATOM 893 OE1 GLN A 58 66.581 0.548 -12.027 1.00 0.00 O ATOM 894 NE2 GLN A 58 65.958 -0.052 -10.027 1.00 0.00 N ATOM 0 H GLN A 58 61.241 1.885 -11.155 1.00 0.00 H new ATOM 0 HA GLN A 58 63.361 0.740 -9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.611 1.295 -12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.132 2.140 -12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.753 -0.762 -11.216 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.285 -0.344 -12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 58 65.215 -0.357 -9.399 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.907 0.068 -9.673 1.00 0.00 H new ATOM 903 N GLU A 59 63.745 3.964 -10.209 1.00 0.00 N ATOM 904 CA GLU A 59 64.468 5.170 -9.697 1.00 0.00 C ATOM 905 C GLU A 59 64.038 5.447 -8.249 1.00 0.00 C ATOM 906 O GLU A 59 64.826 5.883 -7.432 1.00 0.00 O ATOM 907 CB GLU A 59 64.033 6.318 -10.613 1.00 0.00 C ATOM 908 CG GLU A 59 65.154 6.644 -11.603 1.00 0.00 C ATOM 909 CD GLU A 59 64.670 7.710 -12.588 1.00 0.00 C ATOM 910 OE1 GLU A 59 64.092 7.338 -13.596 1.00 0.00 O ATOM 911 OE2 GLU A 59 64.885 8.880 -12.317 1.00 0.00 O ATOM 0 H GLU A 59 63.093 4.145 -10.972 1.00 0.00 H new ATOM 0 HA GLU A 59 65.550 5.042 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.127 6.042 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 59 63.793 7.199 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 59 66.034 7.001 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 65.451 5.744 -12.141 1.00 0.00 H new ATOM 918 N MET A 60 62.788 5.184 -7.931 1.00 0.00 N ATOM 919 CA MET A 60 62.288 5.413 -6.538 1.00 0.00 C ATOM 920 C MET A 60 63.090 4.560 -5.543 1.00 0.00 C ATOM 921 O MET A 60 63.538 5.048 -4.522 1.00 0.00 O ATOM 922 CB MET A 60 60.812 4.982 -6.559 1.00 0.00 C ATOM 923 CG MET A 60 59.967 6.073 -7.223 1.00 0.00 C ATOM 924 SD MET A 60 59.150 7.066 -5.950 1.00 0.00 S ATOM 925 CE MET A 60 57.478 6.420 -6.200 1.00 0.00 C ATOM 0 H MET A 60 62.092 4.819 -8.581 1.00 0.00 H new ATOM 0 HA MET A 60 62.397 6.452 -6.227 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.705 4.043 -7.103 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.460 4.804 -5.543 1.00 0.00 H new ATOM 0 HG2 MET A 60 60.598 6.708 -7.845 1.00 0.00 H new ATOM 0 HG3 MET A 60 59.223 5.622 -7.880 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.769 7.012 -5.622 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.220 6.477 -7.258 1.00 0.00 H new ATOM 0 HE3 MET A 60 57.436 5.381 -5.872 1.00 0.00 H new ATOM 935 N ILE A 61 63.285 3.296 -5.838 1.00 0.00 N ATOM 936 CA ILE A 61 64.071 2.422 -4.909 1.00 0.00 C ATOM 937 C ILE A 61 65.562 2.780 -4.985 1.00 0.00 C ATOM 938 O ILE A 61 66.233 2.859 -3.974 1.00 0.00 O ATOM 939 CB ILE A 61 63.820 0.983 -5.379 1.00 0.00 C ATOM 940 CG1 ILE A 61 62.367 0.601 -5.060 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.780 0.037 -4.645 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.067 -0.822 -5.560 1.00 0.00 C ATOM 0 H ILE A 61 62.936 2.834 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 61 63.770 2.551 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 61 63.990 0.904 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.196 0.660 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.686 1.310 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.605 -0.987 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.809 0.319 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 61 64.608 0.106 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.034 -1.079 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.218 -0.868 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 61 62.736 -1.529 -5.069 1.00 0.00 H new ATOM 954 N ASP A 62 66.083 3.011 -6.171 1.00 0.00 N ATOM 955 CA ASP A 62 67.531 3.383 -6.300 1.00 0.00 C ATOM 956 C ASP A 62 67.830 4.646 -5.478 1.00 0.00 C ATOM 957 O ASP A 62 68.914 4.813 -4.955 1.00 0.00 O ATOM 958 CB ASP A 62 67.756 3.642 -7.793 1.00 0.00 C ATOM 959 CG ASP A 62 68.433 2.426 -8.428 1.00 0.00 C ATOM 960 OD1 ASP A 62 67.845 1.358 -8.391 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.529 2.582 -8.938 1.00 0.00 O ATOM 0 H ASP A 62 65.570 2.958 -7.051 1.00 0.00 H new ATOM 0 HA ASP A 62 68.189 2.598 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.804 3.840 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.375 4.528 -7.929 1.00 0.00 H new ATOM 966 N GLU A 63 66.868 5.528 -5.344 1.00 0.00 N ATOM 967 CA GLU A 63 67.089 6.764 -4.531 1.00 0.00 C ATOM 968 C GLU A 63 67.281 6.379 -3.055 1.00 0.00 C ATOM 969 O GLU A 63 68.024 7.012 -2.329 1.00 0.00 O ATOM 970 CB GLU A 63 65.816 7.595 -4.716 1.00 0.00 C ATOM 971 CG GLU A 63 65.995 8.972 -4.065 1.00 0.00 C ATOM 972 CD GLU A 63 64.763 9.302 -3.221 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.761 8.954 -2.053 1.00 0.00 O ATOM 974 OE2 GLU A 63 63.842 9.895 -3.756 1.00 0.00 O ATOM 0 H GLU A 63 65.941 5.445 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 63 67.976 7.319 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.597 7.710 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.966 7.079 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.889 8.977 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.138 9.733 -4.832 1.00 0.00 H new ATOM 981 N VAL A 64 66.618 5.334 -2.617 1.00 0.00 N ATOM 982 CA VAL A 64 66.756 4.882 -1.199 1.00 0.00 C ATOM 983 C VAL A 64 67.991 3.979 -1.040 1.00 0.00 C ATOM 984 O VAL A 64 68.669 4.029 -0.031 1.00 0.00 O ATOM 985 CB VAL A 64 65.471 4.094 -0.900 1.00 0.00 C ATOM 986 CG1 VAL A 64 65.618 3.346 0.430 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.285 5.058 -0.805 1.00 0.00 C ATOM 0 H VAL A 64 65.984 4.773 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 64 66.888 5.720 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 64 65.299 3.378 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.704 2.789 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 64 66.458 2.654 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.796 4.062 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.375 4.496 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.463 5.776 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 64 64.171 5.589 -1.750 1.00 0.00 H new ATOM 997 N ASP A 65 68.286 3.148 -2.019 1.00 0.00 N ATOM 998 CA ASP A 65 69.472 2.245 -1.893 1.00 0.00 C ATOM 999 C ASP A 65 70.401 2.346 -3.110 1.00 0.00 C ATOM 1000 O ASP A 65 69.971 2.515 -4.235 1.00 0.00 O ATOM 1001 CB ASP A 65 68.889 0.825 -1.742 1.00 0.00 C ATOM 1002 CG ASP A 65 68.777 0.100 -3.097 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.801 -0.273 -3.653 1.00 0.00 O ATOM 1004 OD2 ASP A 65 67.663 -0.128 -3.525 1.00 0.00 O ATOM 0 H ASP A 65 67.761 3.060 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 65 70.091 2.520 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.521 0.243 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 65 67.903 0.885 -1.280 1.00 0.00 H new ATOM 1009 N GLU A 66 71.677 2.203 -2.874 1.00 0.00 N ATOM 1010 CA GLU A 66 72.676 2.244 -3.980 1.00 0.00 C ATOM 1011 C GLU A 66 73.735 1.166 -3.713 1.00 0.00 C ATOM 1012 O GLU A 66 74.926 1.403 -3.799 1.00 0.00 O ATOM 1013 CB GLU A 66 73.283 3.651 -3.929 1.00 0.00 C ATOM 1014 CG GLU A 66 73.147 4.316 -5.303 1.00 0.00 C ATOM 1015 CD GLU A 66 74.154 3.701 -6.279 1.00 0.00 C ATOM 1016 OE1 GLU A 66 73.844 2.667 -6.849 1.00 0.00 O ATOM 1017 OE2 GLU A 66 75.217 4.277 -6.443 1.00 0.00 O ATOM 0 H GLU A 66 72.075 2.057 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 66 72.245 2.050 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 66 72.777 4.250 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 66 74.333 3.595 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 66 72.133 4.185 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 66 73.319 5.389 -5.217 1.00 0.00 H new ATOM 1024 N ASP A 67 73.292 -0.017 -3.369 1.00 0.00 N ATOM 1025 CA ASP A 67 74.242 -1.133 -3.061 1.00 0.00 C ATOM 1026 C ASP A 67 74.298 -2.148 -4.216 1.00 0.00 C ATOM 1027 O ASP A 67 74.301 -3.346 -4.002 1.00 0.00 O ATOM 1028 CB ASP A 67 73.711 -1.784 -1.766 1.00 0.00 C ATOM 1029 CG ASP A 67 72.182 -1.943 -1.809 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.719 -2.957 -2.300 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.498 -1.047 -1.345 1.00 0.00 O ATOM 0 H ASP A 67 72.305 -0.261 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 67 75.262 -0.769 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 67 74.177 -2.760 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 67 73.992 -1.174 -0.908 1.00 0.00 H new ATOM 1036 N GLY A 68 74.361 -1.674 -5.439 1.00 0.00 N ATOM 1037 CA GLY A 68 74.435 -2.600 -6.616 1.00 0.00 C ATOM 1038 C GLY A 68 73.240 -3.560 -6.617 1.00 0.00 C ATOM 1039 O GLY A 68 73.389 -4.743 -6.858 1.00 0.00 O ATOM 0 H GLY A 68 74.364 -0.681 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.447 -2.023 -7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.365 -3.167 -6.583 1.00 0.00 H new ATOM 1043 N SER A 69 72.059 -3.063 -6.352 1.00 0.00 N ATOM 1044 CA SER A 69 70.855 -3.950 -6.339 1.00 0.00 C ATOM 1045 C SER A 69 69.620 -3.182 -6.834 1.00 0.00 C ATOM 1046 O SER A 69 68.925 -3.631 -7.726 1.00 0.00 O ATOM 1047 CB SER A 69 70.706 -4.395 -4.873 1.00 0.00 C ATOM 1048 OG SER A 69 69.424 -4.030 -4.364 1.00 0.00 O ATOM 0 H SER A 69 71.876 -2.081 -6.144 1.00 0.00 H new ATOM 0 HA SER A 69 70.957 -4.809 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.838 -5.475 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.488 -3.937 -4.267 1.00 0.00 H new ATOM 0 HG SER A 69 69.347 -4.322 -3.432 1.00 0.00 H new ATOM 1054 N GLY A 70 69.339 -2.032 -6.266 1.00 0.00 N ATOM 1055 CA GLY A 70 68.144 -1.248 -6.710 1.00 0.00 C ATOM 1056 C GLY A 70 66.855 -1.974 -6.291 1.00 0.00 C ATOM 1057 O GLY A 70 65.809 -1.786 -6.883 1.00 0.00 O ATOM 0 H GLY A 70 69.884 -1.605 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.169 -0.251 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.164 -1.120 -7.792 1.00 0.00 H new ATOM 1061 N THR A 71 66.927 -2.802 -5.275 1.00 0.00 N ATOM 1062 CA THR A 71 65.715 -3.545 -4.800 1.00 0.00 C ATOM 1063 C THR A 71 65.494 -3.246 -3.314 1.00 0.00 C ATOM 1064 O THR A 71 66.438 -3.183 -2.546 1.00 0.00 O ATOM 1065 CB THR A 71 66.028 -5.039 -5.008 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.928 -5.210 -6.099 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.732 -5.799 -5.298 1.00 0.00 C ATOM 0 H THR A 71 67.780 -2.996 -4.751 1.00 0.00 H new ATOM 0 HA THR A 71 64.813 -3.255 -5.339 1.00 0.00 H new ATOM 0 HB THR A 71 66.490 -5.429 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.119 -6.164 -6.219 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.955 -6.856 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.048 -5.686 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.268 -5.397 -6.199 1.00 0.00 H new ATOM 1075 N VAL A 72 64.266 -3.043 -2.905 1.00 0.00 N ATOM 1076 CA VAL A 72 63.994 -2.724 -1.466 1.00 0.00 C ATOM 1077 C VAL A 72 64.094 -3.977 -0.582 1.00 0.00 C ATOM 1078 O VAL A 72 63.440 -4.976 -0.824 1.00 0.00 O ATOM 1079 CB VAL A 72 62.563 -2.163 -1.440 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.026 -2.157 -0.005 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.564 -0.730 -1.975 1.00 0.00 C ATOM 0 H VAL A 72 63.441 -3.084 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 72 64.724 -2.016 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 72 61.928 -2.793 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.012 -1.758 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.018 -3.175 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.666 -1.534 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.549 -0.334 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.208 -0.109 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 72 62.936 -0.724 -2.999 1.00 0.00 H new ATOM 1091 N ASP A 73 64.889 -3.915 0.458 1.00 0.00 N ATOM 1092 CA ASP A 73 65.017 -5.077 1.391 1.00 0.00 C ATOM 1093 C ASP A 73 64.368 -4.712 2.741 1.00 0.00 C ATOM 1094 O ASP A 73 63.675 -3.717 2.844 1.00 0.00 O ATOM 1095 CB ASP A 73 66.532 -5.332 1.518 1.00 0.00 C ATOM 1096 CG ASP A 73 67.118 -4.571 2.712 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.117 -3.355 2.674 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.554 -5.222 3.645 1.00 0.00 O ATOM 0 H ASP A 73 65.458 -3.104 0.702 1.00 0.00 H new ATOM 0 HA ASP A 73 64.512 -5.976 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.716 -6.400 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 73 67.035 -5.022 0.602 1.00 0.00 H new ATOM 1103 N PHE A 74 64.578 -5.495 3.773 1.00 0.00 N ATOM 1104 CA PHE A 74 63.955 -5.165 5.098 1.00 0.00 C ATOM 1105 C PHE A 74 64.551 -3.871 5.676 1.00 0.00 C ATOM 1106 O PHE A 74 63.831 -3.008 6.141 1.00 0.00 O ATOM 1107 CB PHE A 74 64.260 -6.359 6.009 1.00 0.00 C ATOM 1108 CG PHE A 74 63.367 -6.295 7.229 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.979 -6.418 7.088 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.927 -6.107 8.499 1.00 0.00 C ATOM 1111 CE1 PHE A 74 61.152 -6.352 8.216 1.00 0.00 C ATOM 1112 CE2 PHE A 74 63.099 -6.042 9.626 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.712 -6.164 9.484 1.00 0.00 C ATOM 0 H PHE A 74 65.148 -6.341 3.758 1.00 0.00 H new ATOM 0 HA PHE A 74 62.882 -4.997 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 74 64.095 -7.293 5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 74 65.308 -6.344 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 74 61.547 -6.564 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.997 -6.012 8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 74 60.082 -6.446 8.107 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.531 -5.898 10.605 1.00 0.00 H new ATOM 0 HZ PHE A 74 61.074 -6.113 10.354 1.00 0.00 H new ATOM 1123 N ASP A 75 65.854 -3.730 5.645 1.00 0.00 N ATOM 1124 CA ASP A 75 66.498 -2.490 6.190 1.00 0.00 C ATOM 1125 C ASP A 75 66.004 -1.248 5.429 1.00 0.00 C ATOM 1126 O ASP A 75 65.518 -0.302 6.023 1.00 0.00 O ATOM 1127 CB ASP A 75 67.999 -2.701 5.973 1.00 0.00 C ATOM 1128 CG ASP A 75 68.780 -1.532 6.576 1.00 0.00 C ATOM 1129 OD1 ASP A 75 69.020 -1.557 7.771 1.00 0.00 O ATOM 1130 OD2 ASP A 75 69.127 -0.630 5.833 1.00 0.00 O ATOM 0 H ASP A 75 66.502 -4.420 5.265 1.00 0.00 H new ATOM 0 HA ASP A 75 66.257 -2.325 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 75 68.314 -3.637 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 75 68.214 -2.782 4.907 1.00 0.00 H new ATOM 1135 N GLU A 76 66.118 -1.251 4.124 1.00 0.00 N ATOM 1136 CA GLU A 76 65.649 -0.079 3.316 1.00 0.00 C ATOM 1137 C GLU A 76 64.151 0.156 3.542 1.00 0.00 C ATOM 1138 O GLU A 76 63.706 1.279 3.661 1.00 0.00 O ATOM 1139 CB GLU A 76 65.910 -0.462 1.858 1.00 0.00 C ATOM 1140 CG GLU A 76 67.411 -0.367 1.559 1.00 0.00 C ATOM 1141 CD GLU A 76 67.767 -1.279 0.380 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.011 -1.310 -0.579 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.797 -1.927 0.449 1.00 0.00 O ATOM 0 H GLU A 76 66.517 -2.016 3.580 1.00 0.00 H new ATOM 0 HA GLU A 76 66.165 0.840 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.555 -1.475 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.354 0.199 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.680 0.664 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.985 -0.656 2.440 1.00 0.00 H new ATOM 1150 N PHE A 77 63.375 -0.898 3.608 1.00 0.00 N ATOM 1151 CA PHE A 77 61.904 -0.744 3.833 1.00 0.00 C ATOM 1152 C PHE A 77 61.640 -0.050 5.177 1.00 0.00 C ATOM 1153 O PHE A 77 60.779 0.801 5.282 1.00 0.00 O ATOM 1154 CB PHE A 77 61.355 -2.175 3.846 1.00 0.00 C ATOM 1155 CG PHE A 77 59.848 -2.154 3.741 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.234 -2.175 2.483 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.066 -2.124 4.901 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.838 -2.165 2.386 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.670 -2.113 4.804 1.00 0.00 C ATOM 1160 CZ PHE A 77 57.056 -2.135 3.546 1.00 0.00 C ATOM 0 H PHE A 77 63.698 -1.861 3.515 1.00 0.00 H new ATOM 0 HA PHE A 77 61.430 -0.132 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.777 -2.742 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.656 -2.680 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.838 -2.199 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.540 -2.109 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.364 -2.180 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.066 -2.088 5.699 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.979 -2.129 3.471 1.00 0.00 H new ATOM 1170 N LEU A 78 62.375 -0.407 6.203 1.00 0.00 N ATOM 1171 CA LEU A 78 62.164 0.230 7.541 1.00 0.00 C ATOM 1172 C LEU A 78 62.399 1.747 7.465 1.00 0.00 C ATOM 1173 O LEU A 78 61.578 2.524 7.914 1.00 0.00 O ATOM 1174 CB LEU A 78 63.183 -0.431 8.476 1.00 0.00 C ATOM 1175 CG LEU A 78 62.679 -1.816 8.894 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.770 -2.538 9.685 1.00 0.00 C ATOM 1177 CD2 LEU A 78 61.433 -1.667 9.773 1.00 0.00 C ATOM 0 H LEU A 78 63.112 -1.112 6.171 1.00 0.00 H new ATOM 0 HA LEU A 78 61.143 0.091 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 78 64.147 -0.520 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 78 63.339 0.191 9.357 1.00 0.00 H new ATOM 0 HG LEU A 78 62.429 -2.392 8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 78 63.412 -3.524 9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 78 64.658 -2.647 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 78 64.019 -1.959 10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 78 61.076 -2.654 10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.683 -1.089 10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.652 -1.152 9.213 1.00 0.00 H new ATOM 1189 N VAL A 79 63.501 2.178 6.896 1.00 0.00 N ATOM 1190 CA VAL A 79 63.755 3.654 6.799 1.00 0.00 C ATOM 1191 C VAL A 79 62.840 4.270 5.729 1.00 0.00 C ATOM 1192 O VAL A 79 62.414 5.401 5.851 1.00 0.00 O ATOM 1193 CB VAL A 79 65.242 3.828 6.427 1.00 0.00 C ATOM 1194 CG1 VAL A 79 66.116 2.920 7.300 1.00 0.00 C ATOM 1195 CG2 VAL A 79 65.468 3.485 4.951 1.00 0.00 C ATOM 0 H VAL A 79 64.227 1.582 6.499 1.00 0.00 H new ATOM 0 HA VAL A 79 63.540 4.161 7.740 1.00 0.00 H new ATOM 0 HB VAL A 79 65.518 4.869 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 79 67.163 3.052 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.978 3.182 8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.829 1.880 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 79 66.522 3.613 4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 79 65.176 2.451 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 79 64.867 4.147 4.327 1.00 0.00 H new ATOM 1205 N MET A 80 62.524 3.527 4.689 1.00 0.00 N ATOM 1206 CA MET A 80 61.622 4.061 3.619 1.00 0.00 C ATOM 1207 C MET A 80 60.272 4.450 4.231 1.00 0.00 C ATOM 1208 O MET A 80 59.781 5.544 4.023 1.00 0.00 O ATOM 1209 CB MET A 80 61.455 2.911 2.621 1.00 0.00 C ATOM 1210 CG MET A 80 60.697 3.405 1.387 1.00 0.00 C ATOM 1211 SD MET A 80 61.240 2.471 -0.063 1.00 0.00 S ATOM 1212 CE MET A 80 60.493 3.543 -1.312 1.00 0.00 C ATOM 0 H MET A 80 62.854 2.574 4.538 1.00 0.00 H new ATOM 0 HA MET A 80 62.026 4.951 3.137 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.432 2.525 2.329 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.913 2.088 3.087 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.624 3.282 1.532 1.00 0.00 H new ATOM 0 HG3 MET A 80 60.878 4.469 1.237 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.146 2.938 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A 80 59.649 4.077 -0.876 1.00 0.00 H new ATOM 0 HE3 MET A 80 61.233 4.261 -1.665 1.00 0.00 H new ATOM 1222 N MET A 81 59.682 3.568 5.001 1.00 0.00 N ATOM 1223 CA MET A 81 58.377 3.888 5.651 1.00 0.00 C ATOM 1224 C MET A 81 58.559 5.073 6.611 1.00 0.00 C ATOM 1225 O MET A 81 57.678 5.894 6.767 1.00 0.00 O ATOM 1226 CB MET A 81 57.984 2.620 6.419 1.00 0.00 C ATOM 1227 CG MET A 81 57.739 1.462 5.439 1.00 0.00 C ATOM 1228 SD MET A 81 56.714 2.024 4.055 1.00 0.00 S ATOM 1229 CE MET A 81 55.211 2.347 5.005 1.00 0.00 C ATOM 0 H MET A 81 60.050 2.639 5.206 1.00 0.00 H new ATOM 0 HA MET A 81 57.609 4.169 4.931 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.774 2.351 7.121 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.085 2.806 7.006 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.691 1.083 5.066 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.247 0.637 5.954 1.00 0.00 H new ATOM 0 HE1 MET A 81 54.352 2.362 4.334 1.00 0.00 H new ATOM 0 HE2 MET A 81 55.076 1.563 5.750 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.297 3.312 5.505 1.00 0.00 H new ATOM 1239 N VAL A 82 59.709 5.170 7.238 1.00 0.00 N ATOM 1240 CA VAL A 82 59.974 6.306 8.176 1.00 0.00 C ATOM 1241 C VAL A 82 60.024 7.633 7.395 1.00 0.00 C ATOM 1242 O VAL A 82 59.568 8.654 7.872 1.00 0.00 O ATOM 1243 CB VAL A 82 61.333 5.977 8.818 1.00 0.00 C ATOM 1244 CG1 VAL A 82 62.014 7.254 9.319 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.115 5.028 10.000 1.00 0.00 C ATOM 0 H VAL A 82 60.478 4.507 7.139 1.00 0.00 H new ATOM 0 HA VAL A 82 59.196 6.423 8.930 1.00 0.00 H new ATOM 0 HB VAL A 82 61.971 5.507 8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.974 7.002 9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 82 62.174 7.934 8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.380 7.737 10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 82 62.075 4.792 10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 82 60.469 5.506 10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 82 60.645 4.110 9.647 1.00 0.00 H new ATOM 1255 N ARG A 83 60.564 7.618 6.198 1.00 0.00 N ATOM 1256 CA ARG A 83 60.637 8.872 5.375 1.00 0.00 C ATOM 1257 C ARG A 83 59.227 9.439 5.139 1.00 0.00 C ATOM 1258 O ARG A 83 59.018 10.637 5.177 1.00 0.00 O ATOM 1259 CB ARG A 83 61.276 8.452 4.044 1.00 0.00 C ATOM 1260 CG ARG A 83 62.672 7.869 4.296 1.00 0.00 C ATOM 1261 CD ARG A 83 63.663 8.424 3.269 1.00 0.00 C ATOM 1262 NE ARG A 83 63.531 7.530 2.082 1.00 0.00 N ATOM 1263 CZ ARG A 83 63.895 7.948 0.904 1.00 0.00 C ATOM 1264 NH1 ARG A 83 63.041 8.568 0.143 1.00 0.00 N ATOM 1265 NH2 ARG A 83 65.114 7.749 0.487 1.00 0.00 N ATOM 0 H ARG A 83 60.959 6.789 5.753 1.00 0.00 H new ATOM 0 HA ARG A 83 61.215 9.651 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 83 60.648 7.713 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.346 9.311 3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.003 8.118 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 83 62.638 6.781 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.429 9.457 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 83 64.681 8.415 3.658 1.00 0.00 H new ATOM 0 HE ARG A 83 63.155 6.589 2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 83 62.088 8.726 0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 83 63.325 8.896 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 83 65.785 7.265 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 83 65.397 8.077 -0.436 1.00 0.00 H new ATOM 1279 N CYS A 84 58.260 8.584 4.901 1.00 0.00 N ATOM 1280 CA CYS A 84 56.859 9.063 4.668 1.00 0.00 C ATOM 1281 C CYS A 84 56.055 9.089 5.983 1.00 0.00 C ATOM 1282 O CYS A 84 55.008 9.705 6.059 1.00 0.00 O ATOM 1283 CB CYS A 84 56.250 8.053 3.691 1.00 0.00 C ATOM 1284 SG CYS A 84 56.815 8.421 2.011 1.00 0.00 S ATOM 0 H CYS A 84 58.381 7.572 4.858 1.00 0.00 H new ATOM 0 HA CYS A 84 56.843 10.080 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 84 56.541 7.040 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.162 8.096 3.738 1.00 0.00 H new ATOM 0 HG CYS A 84 56.300 7.562 1.182 1.00 0.00 H new ATOM 1290 N MET A 85 56.531 8.426 7.013 1.00 0.00 N ATOM 1291 CA MET A 85 55.790 8.414 8.315 1.00 0.00 C ATOM 1292 C MET A 85 56.337 9.502 9.253 1.00 0.00 C ATOM 1293 O MET A 85 55.632 10.424 9.614 1.00 0.00 O ATOM 1294 CB MET A 85 56.029 7.015 8.895 1.00 0.00 C ATOM 1295 CG MET A 85 55.261 6.857 10.210 1.00 0.00 C ATOM 1296 SD MET A 85 55.965 5.484 11.155 1.00 0.00 S ATOM 1297 CE MET A 85 57.270 6.428 11.979 1.00 0.00 C ATOM 0 H MET A 85 57.401 7.893 7.007 1.00 0.00 H new ATOM 0 HA MET A 85 54.727 8.622 8.189 1.00 0.00 H new ATOM 0 HB2 MET A 85 55.706 6.256 8.182 1.00 0.00 H new ATOM 0 HB3 MET A 85 57.094 6.860 9.065 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.317 7.778 10.790 1.00 0.00 H new ATOM 0 HG3 MET A 85 54.206 6.671 10.008 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.716 5.821 12.767 1.00 0.00 H new ATOM 0 HE2 MET A 85 58.036 6.700 11.253 1.00 0.00 H new ATOM 0 HE3 MET A 85 56.845 7.333 12.414 1.00 0.00 H new ATOM 1307 N LYS A 86 57.585 9.406 9.650 1.00 0.00 N ATOM 1308 CA LYS A 86 58.162 10.441 10.563 1.00 0.00 C ATOM 1309 C LYS A 86 59.695 10.445 10.481 1.00 0.00 C ATOM 1310 O LYS A 86 60.365 9.670 11.139 1.00 0.00 O ATOM 1311 CB LYS A 86 57.699 10.043 11.968 1.00 0.00 C ATOM 1312 CG LYS A 86 57.979 11.191 12.947 1.00 0.00 C ATOM 1313 CD LYS A 86 59.117 10.796 13.896 1.00 0.00 C ATOM 1314 CE LYS A 86 60.256 11.816 13.791 1.00 0.00 C ATOM 1315 NZ LYS A 86 61.464 11.105 14.304 1.00 0.00 N ATOM 0 H LYS A 86 58.225 8.659 9.382 1.00 0.00 H new ATOM 0 HA LYS A 86 57.833 11.445 10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 86 56.634 9.811 11.959 1.00 0.00 H new ATOM 0 HB3 LYS A 86 58.219 9.141 12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 86 58.248 12.093 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 86 57.080 11.422 13.518 1.00 0.00 H new ATOM 0 HD2 LYS A 86 58.749 10.751 14.921 1.00 0.00 H new ATOM 0 HD3 LYS A 86 59.483 9.801 13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 86 60.399 12.143 12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 86 60.043 12.707 14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 62.197 11.800 14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 61.210 10.555 15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 61.827 10.464 13.570 1.00 0.00 H new ATOM 1329 N ASP A 87 60.250 11.325 9.689 1.00 0.00 N ATOM 1330 CA ASP A 87 61.738 11.401 9.570 1.00 0.00 C ATOM 1331 C ASP A 87 62.271 12.552 10.436 1.00 0.00 C ATOM 1332 O ASP A 87 61.513 13.249 11.087 1.00 0.00 O ATOM 1333 CB ASP A 87 62.011 11.659 8.085 1.00 0.00 C ATOM 1334 CG ASP A 87 63.262 10.890 7.657 1.00 0.00 C ATOM 1335 OD1 ASP A 87 64.340 11.450 7.758 1.00 0.00 O ATOM 1336 OD2 ASP A 87 63.120 9.755 7.239 1.00 0.00 O ATOM 0 H ASP A 87 59.736 11.996 9.118 1.00 0.00 H new ATOM 0 HA ASP A 87 62.231 10.491 9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 87 61.156 11.345 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 87 62.149 12.726 7.909 1.00 0.00 H new ATOM 1341 N ASP A 88 63.563 12.757 10.453 1.00 0.00 N ATOM 1342 CA ASP A 88 64.136 13.860 11.285 1.00 0.00 C ATOM 1343 C ASP A 88 64.918 14.845 10.407 1.00 0.00 C ATOM 1344 O ASP A 88 65.869 14.475 9.744 1.00 0.00 O ATOM 1345 CB ASP A 88 65.067 13.163 12.282 1.00 0.00 C ATOM 1346 CG ASP A 88 64.246 12.276 13.219 1.00 0.00 C ATOM 1347 OD1 ASP A 88 63.777 12.784 14.224 1.00 0.00 O ATOM 1348 OD2 ASP A 88 64.094 11.105 12.913 1.00 0.00 O ATOM 0 H ASP A 88 64.246 12.210 9.928 1.00 0.00 H new ATOM 0 HA ASP A 88 63.362 14.440 11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 88 65.803 12.562 11.748 1.00 0.00 H new ATOM 0 HB3 ASP A 88 65.619 13.905 12.859 1.00 0.00 H new ATOM 1353 N SER A 89 64.519 16.098 10.411 1.00 0.00 N ATOM 1354 CA SER A 89 65.220 17.141 9.588 1.00 0.00 C ATOM 1355 C SER A 89 65.265 16.731 8.102 1.00 0.00 C ATOM 1356 O SER A 89 66.285 16.955 7.467 1.00 0.00 O ATOM 1357 CB SER A 89 66.632 17.243 10.181 1.00 0.00 C ATOM 1358 OG SER A 89 66.541 17.529 11.574 1.00 0.00 O ATOM 1359 OXT SER A 89 64.269 16.212 7.621 1.00 0.00 O ATOM 0 H SER A 89 63.729 16.446 10.955 1.00 0.00 H new ATOM 0 HA SER A 89 64.702 18.100 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 89 67.172 16.309 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 89 67.196 18.026 9.674 1.00 0.00 H new ATOM 0 HG SER A 89 67.442 17.593 11.954 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 45.453 7.469 -6.251 1.00 0.00 N ATOM 1367 CA ARG B 144 45.176 8.279 -7.479 1.00 0.00 C ATOM 1368 C ARG B 144 46.487 8.723 -8.145 1.00 0.00 C ATOM 1369 O ARG B 144 46.712 8.463 -9.311 1.00 0.00 O ATOM 1370 CB ARG B 144 44.381 9.495 -6.991 1.00 0.00 C ATOM 1371 CG ARG B 144 42.881 9.200 -7.093 1.00 0.00 C ATOM 1372 CD ARG B 144 42.407 9.437 -8.530 1.00 0.00 C ATOM 1373 NE ARG B 144 41.290 10.419 -8.412 1.00 0.00 N ATOM 1374 CZ ARG B 144 41.179 11.387 -9.276 1.00 0.00 C ATOM 1375 NH1 ARG B 144 41.790 12.519 -9.072 1.00 0.00 N ATOM 1376 NH2 ARG B 144 40.453 11.220 -10.343 1.00 0.00 N ATOM 0 HA ARG B 144 44.626 7.706 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG B 144 44.647 9.727 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG B 144 44.632 10.371 -7.590 1.00 0.00 H new ATOM 0 HG2 ARG B 144 42.682 8.169 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG B 144 42.327 9.840 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG B 144 43.212 9.828 -9.152 1.00 0.00 H new ATOM 0 HD3 ARG B 144 42.070 8.509 -8.992 1.00 0.00 H new ATOM 0 HE ARG B 144 40.613 10.332 -7.654 1.00 0.00 H new ATOM 0 HH11 ARG B 144 42.357 12.649 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG B 144 41.702 13.276 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG B 144 39.974 10.334 -10.500 1.00 0.00 H new ATOM 0 HH22 ARG B 144 40.363 11.976 -11.022 1.00 0.00 H new ATOM 1392 N ARG B 145 47.346 9.395 -7.417 1.00 0.00 N ATOM 1393 CA ARG B 145 48.639 9.859 -8.011 1.00 0.00 C ATOM 1394 C ARG B 145 49.822 9.157 -7.319 1.00 0.00 C ATOM 1395 O ARG B 145 49.701 8.034 -6.871 1.00 0.00 O ATOM 1396 CB ARG B 145 48.656 11.373 -7.769 1.00 0.00 C ATOM 1397 CG ARG B 145 47.683 12.057 -8.737 1.00 0.00 C ATOM 1398 CD ARG B 145 48.308 12.124 -10.136 1.00 0.00 C ATOM 1399 NE ARG B 145 47.622 11.053 -10.919 1.00 0.00 N ATOM 1400 CZ ARG B 145 47.637 11.086 -12.220 1.00 0.00 C ATOM 1401 NH1 ARG B 145 46.742 11.785 -12.859 1.00 0.00 N ATOM 1402 NH2 ARG B 145 48.540 10.416 -12.878 1.00 0.00 N ATOM 0 H ARG B 145 47.207 9.642 -6.437 1.00 0.00 H new ATOM 0 HA ARG B 145 48.728 9.625 -9.072 1.00 0.00 H new ATOM 0 HB2 ARG B 145 48.374 11.590 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG B 145 49.663 11.764 -7.913 1.00 0.00 H new ATOM 0 HG2 ARG B 145 46.744 11.506 -8.774 1.00 0.00 H new ATOM 0 HG3 ARG B 145 47.449 13.061 -8.384 1.00 0.00 H new ATOM 0 HD2 ARG B 145 48.156 13.103 -10.590 1.00 0.00 H new ATOM 0 HD3 ARG B 145 49.384 11.955 -10.096 1.00 0.00 H new ATOM 0 HE ARG B 145 47.141 10.295 -10.434 1.00 0.00 H new ATOM 0 HH11 ARG B 145 46.034 12.303 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG B 145 46.750 11.814 -13.879 1.00 0.00 H new ATOM 0 HH21 ARG B 145 49.235 9.866 -12.374 1.00 0.00 H new ATOM 0 HH22 ARG B 145 48.552 10.442 -13.898 1.00 0.00 H new ATOM 1416 N VAL B 146 50.967 9.796 -7.241 1.00 0.00 N ATOM 1417 CA VAL B 146 52.152 9.145 -6.590 1.00 0.00 C ATOM 1418 C VAL B 146 52.265 9.527 -5.097 1.00 0.00 C ATOM 1419 O VAL B 146 53.349 9.584 -4.545 1.00 0.00 O ATOM 1420 CB VAL B 146 53.363 9.652 -7.390 1.00 0.00 C ATOM 1421 CG1 VAL B 146 53.699 11.094 -6.992 1.00 0.00 C ATOM 1422 CG2 VAL B 146 54.573 8.756 -7.112 1.00 0.00 C ATOM 0 H VAL B 146 51.132 10.737 -7.598 1.00 0.00 H new ATOM 0 HA VAL B 146 52.075 8.058 -6.603 1.00 0.00 H new ATOM 0 HB VAL B 146 53.118 9.624 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL B 146 54.558 11.439 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL B 146 52.843 11.737 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.935 11.132 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL B 146 55.431 9.117 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL B 146 54.806 8.780 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL B 146 54.344 7.733 -7.411 1.00 0.00 H new ATOM 1432 N ARG B 147 51.160 9.769 -4.433 1.00 0.00 N ATOM 1433 CA ARG B 147 51.226 10.126 -2.981 1.00 0.00 C ATOM 1434 C ARG B 147 50.980 8.875 -2.125 1.00 0.00 C ATOM 1435 O ARG B 147 49.867 8.593 -1.720 1.00 0.00 O ATOM 1436 CB ARG B 147 50.121 11.171 -2.767 1.00 0.00 C ATOM 1437 CG ARG B 147 50.540 12.141 -1.656 1.00 0.00 C ATOM 1438 CD ARG B 147 50.546 13.573 -2.196 1.00 0.00 C ATOM 1439 NE ARG B 147 51.838 14.155 -1.730 1.00 0.00 N ATOM 1440 CZ ARG B 147 52.715 14.573 -2.596 1.00 0.00 C ATOM 1441 NH1 ARG B 147 53.533 13.726 -3.156 1.00 0.00 N ATOM 1442 NH2 ARG B 147 52.777 15.840 -2.893 1.00 0.00 N ATOM 0 H ARG B 147 50.221 9.735 -4.831 1.00 0.00 H new ATOM 0 HA ARG B 147 52.201 10.519 -2.693 1.00 0.00 H new ATOM 0 HB2 ARG B 147 49.940 11.718 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG B 147 49.186 10.678 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG B 147 49.853 12.063 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG B 147 51.531 11.878 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG B 147 50.477 13.585 -3.284 1.00 0.00 H new ATOM 0 HD3 ARG B 147 49.697 14.142 -1.816 1.00 0.00 H new ATOM 0 HE ARG B 147 52.034 14.225 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG B 147 53.486 12.736 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG B 147 54.220 14.053 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG B 147 52.140 16.500 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG B 147 53.463 16.172 -3.571 1.00 0.00 H new ATOM 1456 N ILE B 148 52.015 8.119 -1.854 1.00 0.00 N ATOM 1457 CA ILE B 148 51.849 6.880 -1.031 1.00 0.00 C ATOM 1458 C ILE B 148 52.102 7.189 0.451 1.00 0.00 C ATOM 1459 O ILE B 148 53.178 7.613 0.832 1.00 0.00 O ATOM 1460 CB ILE B 148 52.894 5.890 -1.568 1.00 0.00 C ATOM 1461 CG1 ILE B 148 52.413 5.305 -2.902 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.093 4.748 -0.563 1.00 0.00 C ATOM 1463 CD1 ILE B 148 52.764 6.259 -4.048 1.00 0.00 C ATOM 0 H ILE B 148 52.968 8.306 -2.167 1.00 0.00 H new ATOM 0 HA ILE B 148 50.840 6.474 -1.101 1.00 0.00 H new ATOM 0 HB ILE B 148 53.837 6.416 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE B 148 52.877 4.333 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE B 148 51.336 5.142 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE B 148 53.835 4.049 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.438 5.156 0.387 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.148 4.227 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE B 148 52.419 5.836 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE B 148 52.279 7.221 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE B 148 53.844 6.399 -4.087 1.00 0.00 H new ATOM 1475 N SER B 149 51.117 6.970 1.287 1.00 0.00 N ATOM 1476 CA SER B 149 51.292 7.238 2.749 1.00 0.00 C ATOM 1477 C SER B 149 51.568 5.927 3.496 1.00 0.00 C ATOM 1478 O SER B 149 51.112 4.871 3.100 1.00 0.00 O ATOM 1479 CB SER B 149 49.964 7.846 3.203 1.00 0.00 C ATOM 1480 OG SER B 149 49.914 7.860 4.626 1.00 0.00 O ATOM 0 H SER B 149 50.198 6.617 1.020 1.00 0.00 H new ATOM 0 HA SER B 149 52.133 7.902 2.951 1.00 0.00 H new ATOM 0 HB2 SER B 149 49.863 8.859 2.814 1.00 0.00 H new ATOM 0 HB3 SER B 149 49.131 7.267 2.804 1.00 0.00 H new ATOM 0 HG SER B 149 49.065 8.251 4.920 1.00 0.00 H new ATOM 1486 N ALA B 150 52.309 5.990 4.576 1.00 0.00 N ATOM 1487 CA ALA B 150 52.618 4.748 5.357 1.00 0.00 C ATOM 1488 C ALA B 150 51.324 4.075 5.843 1.00 0.00 C ATOM 1489 O ALA B 150 51.202 2.865 5.816 1.00 0.00 O ATOM 1490 CB ALA B 150 53.462 5.222 6.545 1.00 0.00 C ATOM 0 H ALA B 150 52.714 6.848 4.952 1.00 0.00 H new ATOM 0 HA ALA B 150 53.144 4.008 4.754 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.729 4.367 7.166 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.370 5.701 6.178 1.00 0.00 H new ATOM 0 HB3 ALA B 150 52.889 5.936 7.137 1.00 0.00 H new ATOM 1496 N ASP B 151 50.358 4.848 6.278 1.00 0.00 N ATOM 1497 CA ASP B 151 49.071 4.253 6.757 1.00 0.00 C ATOM 1498 C ASP B 151 48.219 3.797 5.563 1.00 0.00 C ATOM 1499 O ASP B 151 47.729 2.683 5.531 1.00 0.00 O ATOM 1500 CB ASP B 151 48.372 5.382 7.524 1.00 0.00 C ATOM 1501 CG ASP B 151 47.175 4.820 8.293 1.00 0.00 C ATOM 1502 OD1 ASP B 151 47.371 4.374 9.411 1.00 0.00 O ATOM 1503 OD2 ASP B 151 46.083 4.847 7.751 1.00 0.00 O ATOM 0 H ASP B 151 50.406 5.866 6.322 1.00 0.00 H new ATOM 0 HA ASP B 151 49.229 3.375 7.383 1.00 0.00 H new ATOM 0 HB2 ASP B 151 49.072 5.853 8.215 1.00 0.00 H new ATOM 0 HB3 ASP B 151 48.040 6.155 6.830 1.00 0.00 H new ATOM 1508 N ALA B 152 48.043 4.652 4.583 1.00 0.00 N ATOM 1509 CA ALA B 152 47.226 4.278 3.384 1.00 0.00 C ATOM 1510 C ALA B 152 47.816 3.038 2.694 1.00 0.00 C ATOM 1511 O ALA B 152 47.098 2.122 2.340 1.00 0.00 O ATOM 1512 CB ALA B 152 47.289 5.497 2.459 1.00 0.00 C ATOM 0 H ALA B 152 48.431 5.595 4.562 1.00 0.00 H new ATOM 0 HA ALA B 152 46.200 4.026 3.651 1.00 0.00 H new ATOM 0 HB1 ALA B 152 46.712 5.299 1.556 1.00 0.00 H new ATOM 0 HB2 ALA B 152 46.874 6.365 2.972 1.00 0.00 H new ATOM 0 HB3 ALA B 152 48.326 5.697 2.190 1.00 0.00 H new ATOM 1518 N MET B 153 49.116 2.995 2.513 1.00 0.00 N ATOM 1519 CA MET B 153 49.742 1.801 1.859 1.00 0.00 C ATOM 1520 C MET B 153 49.571 0.567 2.757 1.00 0.00 C ATOM 1521 O MET B 153 49.324 -0.524 2.279 1.00 0.00 O ATOM 1522 CB MET B 153 51.224 2.155 1.686 1.00 0.00 C ATOM 1523 CG MET B 153 51.807 1.360 0.514 1.00 0.00 C ATOM 1524 SD MET B 153 51.207 2.053 -1.047 1.00 0.00 S ATOM 1525 CE MET B 153 52.746 1.871 -1.983 1.00 0.00 C ATOM 0 H MET B 153 49.767 3.731 2.788 1.00 0.00 H new ATOM 0 HA MET B 153 49.280 1.564 0.900 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.334 3.224 1.504 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.772 1.929 2.601 1.00 0.00 H new ATOM 0 HG2 MET B 153 52.896 1.394 0.544 1.00 0.00 H new ATOM 0 HG3 MET B 153 51.519 0.312 0.593 1.00 0.00 H new ATOM 0 HE1 MET B 153 52.666 2.415 -2.924 1.00 0.00 H new ATOM 0 HE2 MET B 153 53.576 2.272 -1.401 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.924 0.815 -2.188 1.00 0.00 H new ATOM 1535 N MET B 154 49.680 0.738 4.055 1.00 0.00 N ATOM 1536 CA MET B 154 49.499 -0.419 4.988 1.00 0.00 C ATOM 1537 C MET B 154 48.075 -0.976 4.849 1.00 0.00 C ATOM 1538 O MET B 154 47.869 -2.175 4.808 1.00 0.00 O ATOM 1539 CB MET B 154 49.720 0.155 6.393 1.00 0.00 C ATOM 1540 CG MET B 154 51.177 -0.058 6.809 1.00 0.00 C ATOM 1541 SD MET B 154 51.443 -1.806 7.193 1.00 0.00 S ATOM 1542 CE MET B 154 50.979 -1.725 8.940 1.00 0.00 C ATOM 0 H MET B 154 49.886 1.629 4.507 1.00 0.00 H new ATOM 0 HA MET B 154 50.189 -1.236 4.777 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.479 1.218 6.405 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.053 -0.331 7.105 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.845 0.255 6.007 1.00 0.00 H new ATOM 0 HG3 MET B 154 51.412 0.556 7.678 1.00 0.00 H new ATOM 0 HE1 MET B 154 51.188 -2.683 9.417 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.553 -0.941 9.433 1.00 0.00 H new ATOM 0 HE3 MET B 154 49.915 -1.503 9.024 1.00 0.00 H new ATOM 1552 N GLN B 155 47.095 -0.107 4.756 1.00 0.00 N ATOM 1553 CA GLN B 155 45.680 -0.569 4.595 1.00 0.00 C ATOM 1554 C GLN B 155 45.501 -1.246 3.229 1.00 0.00 C ATOM 1555 O GLN B 155 44.764 -2.206 3.094 1.00 0.00 O ATOM 1556 CB GLN B 155 44.834 0.706 4.679 1.00 0.00 C ATOM 1557 CG GLN B 155 43.388 0.339 5.023 1.00 0.00 C ATOM 1558 CD GLN B 155 42.448 1.453 4.556 1.00 0.00 C ATOM 1559 OE1 GLN B 155 42.274 1.660 3.373 1.00 0.00 O ATOM 1560 NE2 GLN B 155 41.828 2.183 5.440 1.00 0.00 N ATOM 0 H GLN B 155 47.216 0.905 4.785 1.00 0.00 H new ATOM 0 HA GLN B 155 45.392 -1.298 5.353 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.241 1.375 5.437 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.868 1.241 3.730 1.00 0.00 H new ATOM 0 HG2 GLN B 155 43.118 -0.602 4.544 1.00 0.00 H new ATOM 0 HG3 GLN B 155 43.286 0.191 6.098 1.00 0.00 H new ATOM 0 HE21 GLN B 155 41.972 2.011 6.435 1.00 0.00 H new ATOM 0 HE22 GLN B 155 41.198 2.926 5.137 1.00 0.00 H new ATOM 1569 N ALA B 156 46.177 -0.754 2.219 1.00 0.00 N ATOM 1570 CA ALA B 156 46.063 -1.366 0.859 1.00 0.00 C ATOM 1571 C ALA B 156 46.687 -2.768 0.857 1.00 0.00 C ATOM 1572 O ALA B 156 46.140 -3.698 0.292 1.00 0.00 O ATOM 1573 CB ALA B 156 46.842 -0.423 -0.062 1.00 0.00 C ATOM 0 H ALA B 156 46.805 0.048 2.279 1.00 0.00 H new ATOM 0 HA ALA B 156 45.028 -1.482 0.539 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.808 -0.802 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.395 0.570 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.879 -0.366 0.269 1.00 0.00 H new ATOM 1579 N LEU B 157 47.824 -2.922 1.491 1.00 0.00 N ATOM 1580 CA LEU B 157 48.497 -4.260 1.543 1.00 0.00 C ATOM 1581 C LEU B 157 47.571 -5.319 2.158 1.00 0.00 C ATOM 1582 O LEU B 157 47.612 -6.475 1.786 1.00 0.00 O ATOM 1583 CB LEU B 157 49.728 -4.051 2.431 1.00 0.00 C ATOM 1584 CG LEU B 157 50.942 -3.735 1.557 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.933 -2.880 2.348 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.621 -5.040 1.134 1.00 0.00 C ATOM 0 H LEU B 157 48.318 -2.174 1.978 1.00 0.00 H new ATOM 0 HA LEU B 157 48.759 -4.618 0.547 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.549 -3.235 3.132 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.917 -4.946 3.024 1.00 0.00 H new ATOM 0 HG LEU B 157 50.617 -3.190 0.671 1.00 0.00 H new ATOM 0 HD11 LEU B 157 52.798 -2.655 1.724 1.00 0.00 H new ATOM 0 HD12 LEU B 157 51.451 -1.950 2.649 1.00 0.00 H new ATOM 0 HD13 LEU B 157 52.257 -3.425 3.235 1.00 0.00 H new ATOM 0 HD21 LEU B 157 52.486 -4.814 0.511 1.00 0.00 H new ATOM 0 HD22 LEU B 157 51.944 -5.586 2.020 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.916 -5.650 0.569 1.00 0.00 H new ATOM 1598 N LEU B 158 46.745 -4.934 3.102 1.00 0.00 N ATOM 1599 CA LEU B 158 45.824 -5.920 3.747 1.00 0.00 C ATOM 1600 C LEU B 158 44.370 -5.419 3.703 1.00 0.00 C ATOM 1601 O LEU B 158 43.729 -5.261 4.726 1.00 0.00 O ATOM 1602 CB LEU B 158 46.324 -6.020 5.193 1.00 0.00 C ATOM 1603 CG LEU B 158 47.532 -6.958 5.256 1.00 0.00 C ATOM 1604 CD1 LEU B 158 48.666 -6.288 6.033 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.130 -8.254 5.961 1.00 0.00 C ATOM 0 H LEU B 158 46.670 -3.979 3.453 1.00 0.00 H new ATOM 0 HA LEU B 158 45.827 -6.885 3.240 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.599 -5.032 5.562 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.528 -6.392 5.839 1.00 0.00 H new ATOM 0 HG LEU B 158 47.871 -7.180 4.244 1.00 0.00 H new ATOM 0 HD11 LEU B 158 49.524 -6.959 6.076 1.00 0.00 H new ATOM 0 HD12 LEU B 158 48.953 -5.363 5.533 1.00 0.00 H new ATOM 0 HD13 LEU B 158 48.330 -6.064 7.045 1.00 0.00 H new ATOM 0 HD21 LEU B 158 47.988 -8.924 6.007 1.00 0.00 H new ATOM 0 HD22 LEU B 158 46.791 -8.028 6.972 1.00 0.00 H new ATOM 0 HD23 LEU B 158 46.324 -8.735 5.407 1.00 0.00 H new ATOM 1617 N GLY B 159 43.841 -5.175 2.528 1.00 0.00 N ATOM 1618 CA GLY B 159 42.426 -4.693 2.434 1.00 0.00 C ATOM 1619 C GLY B 159 42.073 -4.324 0.989 1.00 0.00 C ATOM 1620 O GLY B 159 41.085 -4.789 0.453 1.00 0.00 O ATOM 0 H GLY B 159 44.323 -5.288 1.636 1.00 0.00 H new ATOM 0 HA2 GLY B 159 41.748 -5.468 2.792 1.00 0.00 H new ATOM 0 HA3 GLY B 159 42.289 -3.826 3.080 1.00 0.00 H new ATOM 1624 N ALA B 160 42.862 -3.486 0.359 1.00 0.00 N ATOM 1625 CA ALA B 160 42.559 -3.077 -1.054 1.00 0.00 C ATOM 1626 C ALA B 160 42.531 -4.299 -1.983 1.00 0.00 C ATOM 1627 O ALA B 160 41.565 -4.529 -2.685 1.00 0.00 O ATOM 1628 CB ALA B 160 43.691 -2.125 -1.449 1.00 0.00 C ATOM 0 H ALA B 160 43.701 -3.067 0.759 1.00 0.00 H new ATOM 0 HA ALA B 160 41.581 -2.604 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA B 160 43.538 -1.783 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA B 160 43.696 -1.267 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA B 160 44.646 -2.646 -1.379 1.00 0.00 H new ATOM 1634 N ARG B 161 43.582 -5.080 -1.993 1.00 0.00 N ATOM 1635 CA ARG B 161 43.619 -6.285 -2.877 1.00 0.00 C ATOM 1636 C ARG B 161 44.171 -7.494 -2.102 1.00 0.00 C ATOM 1637 O ARG B 161 44.929 -8.289 -2.627 1.00 0.00 O ATOM 1638 CB ARG B 161 44.554 -5.890 -4.025 1.00 0.00 C ATOM 1639 CG ARG B 161 43.765 -5.822 -5.335 1.00 0.00 C ATOM 1640 CD ARG B 161 44.267 -4.643 -6.175 1.00 0.00 C ATOM 1641 NE ARG B 161 43.243 -3.572 -5.989 1.00 0.00 N ATOM 1642 CZ ARG B 161 42.913 -2.798 -6.986 1.00 0.00 C ATOM 1643 NH1 ARG B 161 43.645 -1.761 -7.276 1.00 0.00 N ATOM 1644 NH2 ARG B 161 41.849 -3.064 -7.688 1.00 0.00 N ATOM 0 H ARG B 161 44.417 -4.935 -1.426 1.00 0.00 H new ATOM 0 HA ARG B 161 42.633 -6.575 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG B 161 45.014 -4.924 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG B 161 45.363 -6.615 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG B 161 43.881 -6.753 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG B 161 42.702 -5.706 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG B 161 45.250 -4.311 -5.841 1.00 0.00 H new ATOM 0 HD3 ARG B 161 44.363 -4.919 -7.225 1.00 0.00 H new ATOM 0 HE ARG B 161 42.800 -3.445 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG B 161 44.477 -1.553 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG B 161 43.387 -1.156 -8.056 1.00 0.00 H new ATOM 0 HH21 ARG B 161 41.276 -3.876 -7.458 1.00 0.00 H new ATOM 0 HH22 ARG B 161 41.589 -2.461 -8.468 1.00 0.00 H new ATOM 1658 N ALA B 162 43.795 -7.633 -0.853 1.00 0.00 N ATOM 1659 CA ALA B 162 44.292 -8.782 -0.034 1.00 0.00 C ATOM 1660 C ALA B 162 43.318 -9.075 1.117 1.00 0.00 C ATOM 1661 O ALA B 162 43.364 -8.444 2.158 1.00 0.00 O ATOM 1662 CB ALA B 162 45.649 -8.320 0.508 1.00 0.00 C ATOM 0 H ALA B 162 43.163 -6.998 -0.365 1.00 0.00 H new ATOM 0 HA ALA B 162 44.377 -9.701 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA B 162 46.083 -9.109 1.122 1.00 0.00 H new ATOM 0 HB2 ALA B 162 46.317 -8.099 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA B 162 45.513 -7.423 1.112 1.00 0.00 H new ATOM 1668 N LYS B 163 42.439 -10.028 0.935 1.00 0.00 N ATOM 1669 CA LYS B 163 41.459 -10.370 2.014 1.00 0.00 C ATOM 1670 C LYS B 163 40.878 -11.778 1.798 1.00 0.00 C ATOM 1671 O LYS B 163 40.459 -12.377 2.774 1.00 0.00 O ATOM 1672 CB LYS B 163 40.363 -9.295 1.922 1.00 0.00 C ATOM 1673 CG LYS B 163 39.615 -9.403 0.585 1.00 0.00 C ATOM 1674 CD LYS B 163 38.111 -9.540 0.845 1.00 0.00 C ATOM 1675 CE LYS B 163 37.799 -10.940 1.395 1.00 0.00 C ATOM 1676 NZ LYS B 163 37.969 -11.870 0.236 1.00 0.00 N ATOM 1677 OXT LYS B 163 40.855 -12.232 0.662 1.00 0.00 O ATOM 0 H LYS B 163 42.357 -10.586 0.085 1.00 0.00 H new ATOM 0 HA LYS B 163 41.925 -10.383 2.999 1.00 0.00 H new ATOM 0 HB2 LYS B 163 39.662 -9.411 2.748 1.00 0.00 H new ATOM 0 HB3 LYS B 163 40.808 -8.305 2.018 1.00 0.00 H new ATOM 0 HG2 LYS B 163 39.810 -8.520 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS B 163 39.977 -10.264 0.023 1.00 0.00 H new ATOM 0 HD2 LYS B 163 37.786 -8.780 1.556 1.00 0.00 H new ATOM 0 HD3 LYS B 163 37.557 -9.371 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS B 163 38.474 -11.201 2.210 1.00 0.00 H new ATOM 0 HE3 LYS B 163 36.785 -10.989 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 37.368 -12.708 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 37.693 -11.385 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 38.964 -12.165 0.171 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.007 -2.311 -2.173 1.00 0.00 CA HETATM 1693 OAA SXK A 91 56.772 12.277 -4.531 1.00 20.00 O HETATM 1694 OAB SXK A 91 58.929 12.784 -4.694 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.250 2.964 -0.164 1.00 20.00 C HETATM 1696 CAF SXK A 91 56.283 8.152 -3.122 1.00 20.00 C HETATM 1697 CAG SXK A 91 58.034 8.333 -1.393 1.00 20.00 C HETATM 1698 CAH SXK A 91 56.175 6.765 -2.872 1.00 20.00 C HETATM 1699 CAI SXK A 91 57.932 6.952 -1.138 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.342 4.354 -0.415 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.266 2.472 -2.335 1.00 20.00 C HETATM 1702 CAL SXK A 91 58.368 10.900 -3.359 1.00 20.00 C HETATM 1703 OAM SXK A 91 57.235 10.265 -2.716 1.00 20.00 O HETATM 1704 CAN SXK A 91 57.988 12.083 -4.269 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.711 2.044 -1.124 1.00 20.00 C HETATM 1706 CAP SXK A 91 57.216 8.934 -2.377 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.362 3.857 -2.596 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.003 6.167 -1.879 1.00 20.00 C HETATM 1709 CAS SXK A 91 56.899 4.793 -1.630 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.615 0.712 -0.865 1.00 20.00 F HETATM 1711 FDD SXK A 91 57.909 4.250 -3.787 1.00 20.00 F HETATM 0 HOAB SXK A 91 59.778 12.434 -4.351 1.00 20.00 H new HETATM 0 HALA SXK A 91 59.058 11.252 -2.592 1.00 20.00 H new HETATM 0 HAL SXK A 91 58.901 10.156 -3.951 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.620 1.746 -3.067 1.00 20.00 H new HETATM 0 HAJ SXK A 91 55.986 5.074 0.322 1.00 20.00 H new HETATM 0 HAI SXK A 91 58.560 6.487 -0.378 1.00 20.00 H new HETATM 0 HAH SXK A 91 55.465 6.159 -3.434 1.00 20.00 H new HETATM 0 HAG SXK A 91 58.744 8.939 -0.831 1.00 20.00 H new HETATM 0 HAF SXK A 91 55.657 8.622 -3.880 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.822 2.606 0.773 1.00 20.00 H new