USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= 0 K(o=0.055,f=-0.94) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.0549 USER MOD Set 2.1: A 40 CYS SG : rot 160:sc= -3.98! USER MOD Set 2.2: A 65 THR OG1 : rot 120:sc= 1.24 USER MOD Set 3.1: A 25 THR OG1 : rot -11:sc= 0.951 USER MOD Set 3.2: A 37 ASN : amide:sc= -0.121 K(o=0.32,f=-0.65) USER MOD Set 3.3: A 41 SER OG : rot 156:sc= -0.513 USER MOD Single : A 1 ALA N :NH3+ -128:sc= -0.199 (180deg=-1.69!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.85 K(o=-1.9,f=-4.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0666 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.618 F(o=-1.2,f=-0.62) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 88:sc= 0.0674 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 75 ASN : amide:sc= -0.732 X(o=-0.73,f=-1.1) USER MOD Single : A 76 MET CE :methyl -128:sc= -1.3 (180deg=-4.04!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.349 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.624 F(o=-3.7,f=-0.62) USER MOD Single : A 100 SER OG : rot 32:sc= 0.165 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -170:sc= -0.435 (180deg=-0.591) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.42 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.870 11.613 -5.983 1.00 0.00 N ATOM 2 CA ALA A 1 14.656 10.976 -7.033 1.00 0.00 C ATOM 3 C ALA A 1 15.174 9.615 -6.581 1.00 0.00 C ATOM 4 O ALA A 1 16.370 9.420 -6.363 1.00 0.00 O ATOM 5 CB ALA A 1 15.814 11.874 -7.443 1.00 0.00 C ATOM 0 H1 ALA A 1 12.949 11.905 -6.368 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.722 10.940 -5.204 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.378 12.448 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 1 14.008 10.821 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.393 11.386 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.425 12.822 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.455 12.058 -6.581 1.00 0.00 H new ATOM 11 N PRO A 2 14.254 8.649 -6.437 1.00 0.00 N ATOM 12 CA PRO A 2 14.595 7.289 -6.010 1.00 0.00 C ATOM 13 C PRO A 2 15.372 6.524 -7.076 1.00 0.00 C ATOM 14 O PRO A 2 14.838 5.620 -7.718 1.00 0.00 O ATOM 15 CB PRO A 2 13.229 6.638 -5.775 1.00 0.00 C ATOM 16 CG PRO A 2 12.292 7.400 -6.647 1.00 0.00 C ATOM 17 CD PRO A 2 12.811 8.811 -6.680 1.00 0.00 C ATOM 0 HA PRO A 2 15.241 7.288 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.244 5.580 -6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.935 6.701 -4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.258 6.973 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.277 7.367 -6.252 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.616 9.288 -7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.342 9.430 -5.915 1.00 0.00 H new ATOM 25 N ILE A 3 16.636 6.893 -7.259 1.00 0.00 N ATOM 26 CA ILE A 3 17.487 6.240 -8.246 1.00 0.00 C ATOM 27 C ILE A 3 18.170 5.012 -7.656 1.00 0.00 C ATOM 28 O ILE A 3 18.330 4.900 -6.440 1.00 0.00 O ATOM 29 CB ILE A 3 18.561 7.202 -8.786 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.928 8.534 -9.192 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.289 6.574 -9.966 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.939 9.594 -9.571 1.00 0.00 C ATOM 0 H ILE A 3 17.093 7.641 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 3 16.840 5.933 -9.068 1.00 0.00 H new ATOM 0 HB ILE A 3 19.287 7.393 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.257 8.366 -10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.318 8.903 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.045 7.266 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.769 5.649 -9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.575 6.357 -10.760 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.419 10.511 -9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.595 9.791 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.533 9.245 -10.416 1.00 0.00 H new ATOM 44 N LYS A 4 18.574 4.091 -8.525 1.00 0.00 N ATOM 45 CA LYS A 4 19.244 2.871 -8.092 1.00 0.00 C ATOM 46 C LYS A 4 20.513 3.195 -7.310 1.00 0.00 C ATOM 47 O LYS A 4 20.781 4.353 -6.996 1.00 0.00 O ATOM 48 CB LYS A 4 19.585 1.996 -9.300 1.00 0.00 C ATOM 49 CG LYS A 4 18.898 0.642 -9.285 1.00 0.00 C ATOM 50 CD LYS A 4 19.781 -0.425 -8.662 1.00 0.00 C ATOM 51 CE LYS A 4 19.578 -1.777 -9.329 1.00 0.00 C ATOM 52 NZ LYS A 4 20.861 -2.355 -9.815 1.00 0.00 N ATOM 0 H LYS A 4 18.449 4.167 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 4 18.565 2.326 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.306 2.525 -10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.664 1.846 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.964 0.713 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.640 0.353 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.827 -0.129 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.559 -0.506 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.115 -2.465 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.888 -1.669 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.679 -3.276 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.291 -1.711 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.510 -2.482 -9.013 1.00 0.00 H new ATOM 66 N GLY A 5 21.292 2.162 -7.001 1.00 0.00 N ATOM 67 CA GLY A 5 22.524 2.359 -6.260 1.00 0.00 C ATOM 68 C GLY A 5 23.481 3.300 -6.965 1.00 0.00 C ATOM 69 O GLY A 5 24.229 2.887 -7.851 1.00 0.00 O ATOM 0 H GLY A 5 21.092 1.193 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.291 2.756 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.012 1.396 -6.109 1.00 0.00 H new ATOM 73 N VAL A 6 23.456 4.570 -6.573 1.00 0.00 N ATOM 74 CA VAL A 6 24.328 5.572 -7.174 1.00 0.00 C ATOM 75 C VAL A 6 24.225 5.549 -8.694 1.00 0.00 C ATOM 76 O VAL A 6 24.984 4.853 -9.369 1.00 0.00 O ATOM 77 CB VAL A 6 25.797 5.355 -6.766 1.00 0.00 C ATOM 78 CG1 VAL A 6 26.710 6.299 -7.535 1.00 0.00 C ATOM 79 CG2 VAL A 6 25.967 5.541 -5.266 1.00 0.00 C ATOM 0 H VAL A 6 22.842 4.929 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 6 23.996 6.543 -6.805 1.00 0.00 H new ATOM 0 HB VAL A 6 26.078 4.332 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.744 6.131 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.609 6.112 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.432 7.331 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.011 5.384 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.669 6.552 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.343 4.821 -4.737 1.00 0.00 H new ATOM 89 N THR A 7 23.281 6.316 -9.230 1.00 0.00 N ATOM 90 CA THR A 7 23.077 6.384 -10.672 1.00 0.00 C ATOM 91 C THR A 7 22.348 7.664 -11.064 1.00 0.00 C ATOM 92 O THR A 7 21.662 8.276 -10.245 1.00 0.00 O ATOM 93 CB THR A 7 22.276 5.172 -11.184 1.00 0.00 C ATOM 94 OG1 THR A 7 22.384 4.086 -10.256 1.00 0.00 O ATOM 95 CG2 THR A 7 22.777 4.730 -12.550 1.00 0.00 C ATOM 0 H THR A 7 22.645 6.900 -8.687 1.00 0.00 H new ATOM 0 HA THR A 7 24.065 6.377 -11.132 1.00 0.00 H new ATOM 0 HB THR A 7 21.231 5.468 -11.277 1.00 0.00 H new ATOM 0 HG1 THR A 7 21.871 3.320 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.196 3.873 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A 7 22.666 5.549 -13.261 1.00 0.00 H new ATOM 0 HG23 THR A 7 23.828 4.451 -12.479 1.00 0.00 H new ATOM 103 N PHE A 8 22.498 8.063 -12.323 1.00 0.00 N ATOM 104 CA PHE A 8 21.853 9.271 -12.824 1.00 0.00 C ATOM 105 C PHE A 8 22.084 9.427 -14.325 1.00 0.00 C ATOM 106 O PHE A 8 23.199 9.252 -14.814 1.00 0.00 O ATOM 107 CB PHE A 8 22.382 10.501 -12.084 1.00 0.00 C ATOM 108 CG PHE A 8 23.785 10.875 -12.469 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.868 10.198 -11.932 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.020 11.904 -13.367 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.160 10.541 -12.284 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.310 12.251 -13.723 1.00 0.00 C ATOM 113 CZ PHE A 8 26.381 11.568 -13.181 1.00 0.00 C ATOM 0 H PHE A 8 23.060 7.567 -13.015 1.00 0.00 H new ATOM 0 HA PHE A 8 20.781 9.182 -12.646 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.722 11.346 -12.282 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.346 10.313 -11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.701 9.394 -11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.186 12.441 -13.794 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.996 10.006 -11.858 1.00 0.00 H new ATOM 0 HE2 PHE A 8 25.480 13.055 -14.424 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.390 11.836 -13.458 1.00 0.00 H new ATOM 123 N GLY A 9 21.020 9.759 -15.050 1.00 0.00 N ATOM 124 CA GLY A 9 21.126 9.933 -16.486 1.00 0.00 C ATOM 125 C GLY A 9 21.781 8.748 -17.167 1.00 0.00 C ATOM 126 O GLY A 9 22.853 8.879 -17.758 1.00 0.00 O ATOM 0 H GLY A 9 20.087 9.910 -14.668 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.131 10.084 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.702 10.834 -16.698 1.00 0.00 H new ATOM 130 N GLU A 10 21.137 7.588 -17.083 1.00 0.00 N ATOM 131 CA GLU A 10 21.667 6.375 -17.694 1.00 0.00 C ATOM 132 C GLU A 10 20.939 6.061 -18.998 1.00 0.00 C ATOM 133 O GLU A 10 21.552 5.626 -19.974 1.00 0.00 O ATOM 134 CB GLU A 10 21.540 5.194 -16.730 1.00 0.00 C ATOM 135 CG GLU A 10 22.734 5.032 -15.805 1.00 0.00 C ATOM 136 CD GLU A 10 24.003 4.663 -16.549 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.065 3.542 -17.096 1.00 0.00 O ATOM 138 OE2 GLU A 10 24.933 5.495 -16.586 1.00 0.00 O ATOM 0 H GLU A 10 20.248 7.463 -16.598 1.00 0.00 H new ATOM 0 HA GLU A 10 22.721 6.541 -17.916 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.640 5.322 -16.129 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.411 4.278 -17.306 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.895 5.962 -15.259 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.514 4.262 -15.065 1.00 0.00 H new ATOM 145 N ASP A 11 19.630 6.284 -19.007 1.00 0.00 N ATOM 146 CA ASP A 11 18.818 6.025 -20.191 1.00 0.00 C ATOM 147 C ASP A 11 17.492 6.776 -20.115 1.00 0.00 C ATOM 148 O ASP A 11 17.195 7.620 -20.961 1.00 0.00 O ATOM 149 CB ASP A 11 18.561 4.525 -20.342 1.00 0.00 C ATOM 150 CG ASP A 11 18.495 4.092 -21.793 1.00 0.00 C ATOM 151 OD1 ASP A 11 19.383 4.495 -22.574 1.00 0.00 O ATOM 152 OD2 ASP A 11 17.556 3.349 -22.148 1.00 0.00 O ATOM 0 H ASP A 11 19.108 6.644 -18.208 1.00 0.00 H new ATOM 0 HA ASP A 11 19.367 6.381 -21.063 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.352 3.971 -19.836 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.625 4.268 -19.846 1.00 0.00 H new ATOM 157 N THR A 12 16.698 6.463 -19.096 1.00 0.00 N ATOM 158 CA THR A 12 15.403 7.105 -18.911 1.00 0.00 C ATOM 159 C THR A 12 14.702 6.580 -17.663 1.00 0.00 C ATOM 160 O THR A 12 14.645 5.372 -17.433 1.00 0.00 O ATOM 161 CB THR A 12 14.488 6.887 -20.130 1.00 0.00 C ATOM 162 OG1 THR A 12 13.169 7.366 -19.845 1.00 0.00 O ATOM 163 CG2 THR A 12 14.428 5.414 -20.505 1.00 0.00 C ATOM 0 H THR A 12 16.929 5.768 -18.386 1.00 0.00 H new ATOM 0 HA THR A 12 15.593 8.172 -18.796 1.00 0.00 H new ATOM 0 HB THR A 12 14.902 7.443 -20.971 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.594 7.225 -20.626 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.776 5.285 -21.369 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.429 5.060 -20.750 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.036 4.840 -19.665 1.00 0.00 H new ATOM 171 N VAL A 13 14.168 7.495 -16.860 1.00 0.00 N ATOM 172 CA VAL A 13 13.469 7.124 -15.636 1.00 0.00 C ATOM 173 C VAL A 13 12.410 6.061 -15.909 1.00 0.00 C ATOM 174 O VAL A 13 11.918 5.935 -17.030 1.00 0.00 O ATOM 175 CB VAL A 13 12.798 8.345 -14.980 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.100 9.198 -16.029 1.00 0.00 C ATOM 177 CG2 VAL A 13 11.818 7.901 -13.905 1.00 0.00 C ATOM 0 H VAL A 13 14.206 8.499 -17.036 1.00 0.00 H new ATOM 0 HA VAL A 13 14.218 6.721 -14.954 1.00 0.00 H new ATOM 0 HB VAL A 13 13.570 8.952 -14.507 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.632 10.056 -15.547 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.830 9.546 -16.760 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.338 8.604 -16.533 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.353 8.777 -13.452 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.048 7.272 -14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.349 7.336 -13.139 1.00 0.00 H new ATOM 187 N TRP A 14 12.063 5.301 -14.877 1.00 0.00 N ATOM 188 CA TRP A 14 11.061 4.249 -15.005 1.00 0.00 C ATOM 189 C TRP A 14 11.569 3.119 -15.894 1.00 0.00 C ATOM 190 O TRP A 14 10.808 2.234 -16.282 1.00 0.00 O ATOM 191 CB TRP A 14 9.763 4.820 -15.577 1.00 0.00 C ATOM 192 CG TRP A 14 8.725 5.098 -14.532 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.609 6.227 -13.772 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.660 4.230 -14.130 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.535 6.113 -12.922 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.936 4.898 -13.123 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.245 2.955 -14.524 1.00 0.00 C ATOM 198 CZ2 TRP A 14 5.823 4.331 -12.506 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.141 2.394 -13.911 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.440 3.082 -12.912 1.00 0.00 C ATOM 0 H TRP A 14 12.460 5.393 -13.942 1.00 0.00 H new ATOM 0 HA TRP A 14 10.865 3.845 -14.012 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.985 5.743 -16.112 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.356 4.119 -16.306 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.265 7.083 -13.830 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.233 6.819 -12.250 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.778 2.417 -15.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.282 4.859 -11.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.813 1.409 -14.207 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.580 2.617 -12.453 1.00 0.00 H new ATOM 211 N GLU A 15 12.859 3.157 -16.213 1.00 0.00 N ATOM 212 CA GLU A 15 13.467 2.135 -17.058 1.00 0.00 C ATOM 213 C GLU A 15 14.846 1.746 -16.533 1.00 0.00 C ATOM 214 O GLU A 15 15.239 0.580 -16.592 1.00 0.00 O ATOM 215 CB GLU A 15 13.580 2.635 -18.500 1.00 0.00 C ATOM 216 CG GLU A 15 12.490 2.102 -19.415 1.00 0.00 C ATOM 217 CD GLU A 15 12.942 0.902 -20.223 1.00 0.00 C ATOM 218 OE1 GLU A 15 13.889 0.214 -19.787 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.348 0.649 -21.292 1.00 0.00 O ATOM 0 H GLU A 15 13.503 3.883 -15.900 1.00 0.00 H new ATOM 0 HA GLU A 15 12.827 1.253 -17.036 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.544 3.724 -18.502 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.552 2.347 -18.901 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.621 1.826 -18.817 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.172 2.893 -20.094 1.00 0.00 H new ATOM 226 N VAL A 16 15.578 2.730 -16.021 1.00 0.00 N ATOM 227 CA VAL A 16 16.913 2.492 -15.485 1.00 0.00 C ATOM 228 C VAL A 16 16.992 2.879 -14.013 1.00 0.00 C ATOM 229 O VAL A 16 17.797 2.332 -13.260 1.00 0.00 O ATOM 230 CB VAL A 16 17.980 3.277 -16.270 1.00 0.00 C ATOM 231 CG1 VAL A 16 17.864 4.767 -15.985 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.373 2.769 -15.929 1.00 0.00 C ATOM 0 H VAL A 16 15.269 3.700 -15.966 1.00 0.00 H new ATOM 0 HA VAL A 16 17.110 1.425 -15.587 1.00 0.00 H new ATOM 0 HB VAL A 16 17.811 3.120 -17.335 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.626 5.306 -16.548 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.876 5.119 -16.283 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.007 4.946 -14.919 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.115 3.335 -16.493 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.555 2.895 -14.862 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.449 1.713 -16.188 1.00 0.00 H new ATOM 242 N GLN A 17 16.150 3.826 -13.610 1.00 0.00 N ATOM 243 CA GLN A 17 16.126 4.287 -12.227 1.00 0.00 C ATOM 244 C GLN A 17 16.017 3.110 -11.263 1.00 0.00 C ATOM 245 O GLN A 17 16.598 3.127 -10.179 1.00 0.00 O ATOM 246 CB GLN A 17 14.957 5.249 -12.009 1.00 0.00 C ATOM 247 CG GLN A 17 14.442 5.266 -10.578 1.00 0.00 C ATOM 248 CD GLN A 17 13.802 6.589 -10.205 1.00 0.00 C ATOM 249 OE1 GLN A 17 14.418 7.425 -9.543 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.559 6.786 -10.628 1.00 0.00 N ATOM 0 H GLN A 17 15.477 4.288 -14.221 1.00 0.00 H new ATOM 0 HA GLN A 17 17.061 4.811 -12.028 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.269 6.256 -12.286 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.141 4.973 -12.677 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.714 4.465 -10.448 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.267 5.061 -9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.086 6.066 -11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.077 7.657 -10.407 1.00 0.00 H new ATOM 259 N GLY A 18 15.269 2.087 -11.666 1.00 0.00 N ATOM 260 CA GLY A 18 15.097 0.916 -10.826 1.00 0.00 C ATOM 261 C GLY A 18 14.022 1.109 -9.776 1.00 0.00 C ATOM 262 O GLY A 18 14.144 0.614 -8.655 1.00 0.00 O ATOM 0 H GLY A 18 14.779 2.049 -12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.842 0.059 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.042 0.683 -10.335 1.00 0.00 H new ATOM 266 N TYR A 19 12.967 1.830 -10.137 1.00 0.00 N ATOM 267 CA TYR A 19 11.867 2.090 -9.215 1.00 0.00 C ATOM 268 C TYR A 19 10.591 2.438 -9.975 1.00 0.00 C ATOM 269 O TYR A 19 10.628 2.761 -11.163 1.00 0.00 O ATOM 270 CB TYR A 19 12.232 3.229 -8.261 1.00 0.00 C ATOM 271 CG TYR A 19 12.935 2.764 -7.006 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.222 2.202 -5.954 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.312 2.889 -6.870 1.00 0.00 C ATOM 274 CE1 TYR A 19 12.860 1.776 -4.805 1.00 0.00 C ATOM 275 CE2 TYR A 19 14.959 2.465 -5.725 1.00 0.00 C ATOM 276 CZ TYR A 19 14.228 1.910 -4.696 1.00 0.00 C ATOM 277 OH TYR A 19 14.868 1.487 -3.553 1.00 0.00 O ATOM 0 H TYR A 19 12.850 2.245 -11.061 1.00 0.00 H new ATOM 0 HA TYR A 19 11.689 1.183 -8.637 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.872 3.939 -8.784 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.324 3.764 -7.982 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.150 2.096 -6.036 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.887 3.325 -7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.291 1.341 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.030 2.568 -5.637 1.00 0.00 H new ATOM 0 HH TYR A 19 15.830 1.651 -3.637 1.00 0.00 H new ATOM 287 N LYS A 20 9.460 2.372 -9.281 1.00 0.00 N ATOM 288 CA LYS A 20 8.170 2.681 -9.886 1.00 0.00 C ATOM 289 C LYS A 20 7.281 3.448 -8.912 1.00 0.00 C ATOM 290 O LYS A 20 7.713 3.811 -7.819 1.00 0.00 O ATOM 291 CB LYS A 20 7.469 1.394 -10.327 1.00 0.00 C ATOM 292 CG LYS A 20 8.044 0.793 -11.598 1.00 0.00 C ATOM 293 CD LYS A 20 9.294 -0.023 -11.313 1.00 0.00 C ATOM 294 CE LYS A 20 9.229 -1.391 -11.975 1.00 0.00 C ATOM 295 NZ LYS A 20 10.052 -1.447 -13.214 1.00 0.00 N ATOM 0 H LYS A 20 9.411 2.107 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 20 8.348 3.309 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.538 0.660 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.410 1.601 -10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.295 0.159 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.281 1.590 -12.303 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.171 0.515 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.413 -0.144 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.576 -2.150 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.193 -1.629 -12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.981 -2.395 -13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.705 -0.740 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.045 -1.245 -12.980 1.00 0.00 H new ATOM 309 N ASN A 21 6.039 3.690 -9.316 1.00 0.00 N ATOM 310 CA ASN A 21 5.089 4.413 -8.478 1.00 0.00 C ATOM 311 C ASN A 21 3.679 3.857 -8.649 1.00 0.00 C ATOM 312 O ASN A 21 3.092 3.945 -9.728 1.00 0.00 O ATOM 313 CB ASN A 21 5.107 5.904 -8.820 1.00 0.00 C ATOM 314 CG ASN A 21 6.510 6.481 -8.817 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.244 6.257 -9.900 1.00 0.00 O flip ATOM 316 ND2 ASN A 21 6.928 7.120 -7.851 1.00 0.00 N flip ATOM 0 H ASN A 21 5.666 3.396 -10.219 1.00 0.00 H new ATOM 0 HA ASN A 21 5.388 4.282 -7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.657 6.054 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.492 6.446 -8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.328 7.268 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.874 7.502 -7.863 1.00 0.00 H new ATOM 323 N VAL A 22 3.139 3.286 -7.577 1.00 0.00 N ATOM 324 CA VAL A 22 1.797 2.717 -7.608 1.00 0.00 C ATOM 325 C VAL A 22 0.951 3.241 -6.453 1.00 0.00 C ATOM 326 O VAL A 22 1.426 3.350 -5.322 1.00 0.00 O ATOM 327 CB VAL A 22 1.837 1.179 -7.544 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.603 0.716 -6.314 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.427 0.609 -7.549 1.00 0.00 C ATOM 0 H VAL A 22 3.610 3.205 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 22 1.346 3.022 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 22 2.357 0.809 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.621 -0.373 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.624 1.095 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.113 1.095 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.474 -0.479 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.121 0.985 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.085 0.912 -8.463 1.00 0.00 H new ATOM 339 N ARG A 23 -0.304 3.565 -6.745 1.00 0.00 N ATOM 340 CA ARG A 23 -1.217 4.078 -5.730 1.00 0.00 C ATOM 341 C ARG A 23 -2.229 3.013 -5.320 1.00 0.00 C ATOM 342 O ARG A 23 -2.405 2.010 -6.013 1.00 0.00 O ATOM 343 CB ARG A 23 -1.947 5.318 -6.251 1.00 0.00 C ATOM 344 CG ARG A 23 -1.967 6.473 -5.263 1.00 0.00 C ATOM 345 CD ARG A 23 -0.631 7.199 -5.229 1.00 0.00 C ATOM 346 NE ARG A 23 -0.578 8.293 -6.195 1.00 0.00 N ATOM 347 CZ ARG A 23 -1.306 9.399 -6.094 1.00 0.00 C ATOM 348 NH1 ARG A 23 -2.139 9.558 -5.075 1.00 0.00 N ATOM 349 NH2 ARG A 23 -1.202 10.350 -7.014 1.00 0.00 N ATOM 0 H ARG A 23 -0.712 3.482 -7.676 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.630 4.352 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.471 5.649 -7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.973 5.047 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.756 7.173 -5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.204 6.098 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.457 7.591 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.171 6.492 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 23 0.053 8.203 -6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.222 8.830 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.697 10.409 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.562 10.232 -7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.762 11.199 -6.935 1.00 0.00 H new ATOM 363 N ILE A 24 -2.891 3.237 -4.190 1.00 0.00 N ATOM 364 CA ILE A 24 -3.886 2.297 -3.689 1.00 0.00 C ATOM 365 C ILE A 24 -5.127 3.027 -3.185 1.00 0.00 C ATOM 366 O ILE A 24 -5.029 3.999 -2.436 1.00 0.00 O ATOM 367 CB ILE A 24 -3.317 1.430 -2.551 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.070 0.681 -3.025 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.371 0.452 -2.053 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.797 1.139 -2.350 1.00 0.00 C ATOM 0 H ILE A 24 -2.756 4.061 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.161 1.652 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.034 2.082 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.205 -0.385 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.967 0.809 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.954 -0.154 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.234 1.005 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.682 -0.197 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.046 0.565 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.638 2.198 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.880 0.985 -1.274 1.00 0.00 H new ATOM 382 N THR A 25 -6.297 2.549 -3.600 1.00 0.00 N ATOM 383 CA THR A 25 -7.558 3.155 -3.191 1.00 0.00 C ATOM 384 C THR A 25 -8.724 2.199 -3.413 1.00 0.00 C ATOM 385 O THR A 25 -9.377 2.232 -4.456 1.00 0.00 O ATOM 386 CB THR A 25 -7.828 4.463 -3.958 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.814 5.428 -3.654 1.00 0.00 O ATOM 388 CG2 THR A 25 -9.195 5.027 -3.602 1.00 0.00 C ATOM 0 H THR A 25 -6.397 1.744 -4.219 1.00 0.00 H new ATOM 0 HA THR A 25 -7.471 3.378 -2.128 1.00 0.00 H new ATOM 0 HB THR A 25 -7.810 4.242 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.277 5.111 -2.898 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.363 5.951 -4.156 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.967 4.302 -3.862 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.236 5.233 -2.532 1.00 0.00 H new ATOM 396 N PHE A 26 -8.981 1.347 -2.425 1.00 0.00 N ATOM 397 CA PHE A 26 -10.070 0.381 -2.513 1.00 0.00 C ATOM 398 C PHE A 26 -11.075 0.590 -1.385 1.00 0.00 C ATOM 399 O PHE A 26 -12.155 1.140 -1.597 1.00 0.00 O ATOM 400 CB PHE A 26 -9.519 -1.046 -2.463 1.00 0.00 C ATOM 401 CG PHE A 26 -10.587 -2.101 -2.477 1.00 0.00 C ATOM 402 CD1 PHE A 26 -11.280 -2.389 -3.642 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.897 -2.807 -1.325 1.00 0.00 C ATOM 404 CE1 PHE A 26 -12.264 -3.359 -3.657 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.880 -3.779 -1.335 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.564 -4.056 -2.503 1.00 0.00 C ATOM 0 H PHE A 26 -8.450 1.306 -1.555 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.581 0.533 -3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.855 -1.201 -3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.916 -1.163 -1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.048 -1.849 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.365 -2.595 -0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.798 -3.572 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.113 -4.321 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.331 -4.816 -2.514 1.00 0.00 H new ATOM 416 N GLU A 27 -10.711 0.147 -0.186 1.00 0.00 N ATOM 417 CA GLU A 27 -11.581 0.284 0.976 1.00 0.00 C ATOM 418 C GLU A 27 -10.921 -0.298 2.222 1.00 0.00 C ATOM 419 O GLU A 27 -10.514 -1.461 2.238 1.00 0.00 O ATOM 420 CB GLU A 27 -12.921 -0.411 0.722 1.00 0.00 C ATOM 421 CG GLU A 27 -13.782 -0.545 1.967 1.00 0.00 C ATOM 422 CD GLU A 27 -15.175 -1.060 1.660 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.341 -2.294 1.558 1.00 0.00 O ATOM 424 OE2 GLU A 27 -16.098 -0.231 1.520 1.00 0.00 O ATOM 0 H GLU A 27 -9.820 -0.310 0.006 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.757 1.347 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.473 0.148 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.734 -1.403 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.295 -1.221 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.857 0.425 2.458 1.00 0.00 H new ATOM 431 N LEU A 28 -10.818 0.517 3.266 1.00 0.00 N ATOM 432 CA LEU A 28 -10.207 0.084 4.518 1.00 0.00 C ATOM 433 C LEU A 28 -10.990 0.611 5.716 1.00 0.00 C ATOM 434 O LEU A 28 -11.426 -0.159 6.573 1.00 0.00 O ATOM 435 CB LEU A 28 -8.756 0.562 4.592 1.00 0.00 C ATOM 436 CG LEU A 28 -7.689 -0.533 4.620 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.884 -1.497 3.461 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.296 0.079 4.580 1.00 0.00 C ATOM 0 H LEU A 28 -11.150 1.482 3.270 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.226 -1.005 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.563 1.208 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.642 1.176 5.486 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.792 -1.091 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.116 -2.269 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.868 -1.960 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.808 -0.954 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.549 -0.715 4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.181 0.662 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.159 0.729 5.444 1.00 0.00 H new ATOM 450 N ASP A 29 -11.167 1.927 5.769 1.00 0.00 N ATOM 451 CA ASP A 29 -11.900 2.556 6.861 1.00 0.00 C ATOM 452 C ASP A 29 -12.888 3.590 6.327 1.00 0.00 C ATOM 453 O ASP A 29 -12.891 3.902 5.137 1.00 0.00 O ATOM 454 CB ASP A 29 -10.930 3.218 7.841 1.00 0.00 C ATOM 455 CG ASP A 29 -11.519 3.363 9.230 1.00 0.00 C ATOM 456 OD1 ASP A 29 -11.443 2.392 10.011 1.00 0.00 O ATOM 457 OD2 ASP A 29 -12.057 4.448 9.537 1.00 0.00 O ATOM 0 H ASP A 29 -10.813 2.578 5.068 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.460 1.781 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.016 2.627 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.651 4.202 7.463 1.00 0.00 H new ATOM 462 N GLU A 30 -13.725 4.115 7.216 1.00 0.00 N ATOM 463 CA GLU A 30 -14.718 5.112 6.833 1.00 0.00 C ATOM 464 C GLU A 30 -14.455 6.441 7.536 1.00 0.00 C ATOM 465 O GLU A 30 -14.801 7.505 7.024 1.00 0.00 O ATOM 466 CB GLU A 30 -16.126 4.616 7.168 1.00 0.00 C ATOM 467 CG GLU A 30 -16.297 4.203 8.620 1.00 0.00 C ATOM 468 CD GLU A 30 -17.610 4.681 9.211 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.859 5.905 9.189 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.387 3.832 9.695 1.00 0.00 O ATOM 0 H GLU A 30 -13.735 3.867 8.205 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.641 5.269 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.844 5.403 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.365 3.767 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.244 3.117 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.471 4.603 9.208 1.00 0.00 H new ATOM 477 N ARG A 31 -13.841 6.369 8.713 1.00 0.00 N ATOM 478 CA ARG A 31 -13.533 7.565 9.488 1.00 0.00 C ATOM 479 C ARG A 31 -12.077 7.978 9.295 1.00 0.00 C ATOM 480 O ARG A 31 -11.723 9.144 9.468 1.00 0.00 O ATOM 481 CB ARG A 31 -13.813 7.323 10.972 1.00 0.00 C ATOM 482 CG ARG A 31 -15.287 7.130 11.290 1.00 0.00 C ATOM 483 CD ARG A 31 -16.083 8.400 11.034 1.00 0.00 C ATOM 484 NE ARG A 31 -17.002 8.700 12.129 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.603 9.875 12.284 1.00 0.00 C ATOM 486 NH1 ARG A 31 -17.382 10.855 11.418 1.00 0.00 N ATOM 487 NH2 ARG A 31 -18.426 10.071 13.305 1.00 0.00 N ATOM 0 H ARG A 31 -13.547 5.496 9.150 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.172 8.373 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.261 6.441 11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.433 8.168 11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.688 6.319 10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.400 6.833 12.333 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.397 9.236 10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.646 8.294 10.107 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.193 7.967 12.812 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.750 10.707 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.844 11.756 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.598 9.319 13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.887 10.973 13.423 1.00 0.00 H new ATOM 501 N VAL A 32 -11.236 7.013 8.935 1.00 0.00 N ATOM 502 CA VAL A 32 -9.819 7.276 8.718 1.00 0.00 C ATOM 503 C VAL A 32 -9.340 6.657 7.410 1.00 0.00 C ATOM 504 O VAL A 32 -8.294 6.008 7.365 1.00 0.00 O ATOM 505 CB VAL A 32 -8.963 6.729 9.876 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.284 7.462 11.170 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.176 5.232 10.035 1.00 0.00 C ATOM 0 H VAL A 32 -11.512 6.042 8.788 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.701 8.359 8.669 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.913 6.900 9.640 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.670 7.062 11.977 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.075 8.525 11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.337 7.325 11.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.563 4.863 10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.227 5.035 10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.891 4.724 9.114 1.00 0.00 H new ATOM 517 N ASP A 33 -10.110 6.863 6.347 1.00 0.00 N ATOM 518 CA ASP A 33 -9.763 6.327 5.036 1.00 0.00 C ATOM 519 C ASP A 33 -8.714 7.198 4.352 1.00 0.00 C ATOM 520 O ASP A 33 -7.697 6.700 3.869 1.00 0.00 O ATOM 521 CB ASP A 33 -11.011 6.224 4.157 1.00 0.00 C ATOM 522 CG ASP A 33 -10.966 5.030 3.225 1.00 0.00 C ATOM 523 OD1 ASP A 33 -9.886 4.414 3.100 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.011 4.709 2.622 1.00 0.00 O ATOM 0 H ASP A 33 -10.979 7.397 6.368 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.344 5.331 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.894 6.152 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.114 7.136 3.569 1.00 0.00 H new ATOM 529 N LYS A 34 -8.969 8.501 4.314 1.00 0.00 N ATOM 530 CA LYS A 34 -8.048 9.444 3.690 1.00 0.00 C ATOM 531 C LYS A 34 -6.706 9.455 4.417 1.00 0.00 C ATOM 532 O LYS A 34 -5.707 9.944 3.889 1.00 0.00 O ATOM 533 CB LYS A 34 -8.650 10.850 3.686 1.00 0.00 C ATOM 534 CG LYS A 34 -8.250 11.687 4.889 1.00 0.00 C ATOM 535 CD LYS A 34 -8.748 11.072 6.186 1.00 0.00 C ATOM 536 CE LYS A 34 -9.487 12.091 7.038 1.00 0.00 C ATOM 537 NZ LYS A 34 -10.930 12.172 6.679 1.00 0.00 N ATOM 0 H LYS A 34 -9.807 8.929 4.708 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.882 9.125 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.341 11.366 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.737 10.771 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.165 11.781 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.654 12.694 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.409 10.235 5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.904 10.671 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.389 11.824 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.026 13.071 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.399 12.878 7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.024 12.452 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.376 11.243 6.822 1.00 0.00 H new ATOM 551 N VAL A 35 -6.691 8.913 5.630 1.00 0.00 N ATOM 552 CA VAL A 35 -5.472 8.859 6.428 1.00 0.00 C ATOM 553 C VAL A 35 -4.410 7.999 5.751 1.00 0.00 C ATOM 554 O VAL A 35 -3.218 8.130 6.032 1.00 0.00 O ATOM 555 CB VAL A 35 -5.747 8.300 7.837 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.452 8.173 8.624 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.744 9.183 8.573 1.00 0.00 C ATOM 0 H VAL A 35 -7.509 8.505 6.082 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.106 9.882 6.516 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.181 7.305 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.667 7.777 9.616 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.774 7.498 8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.986 9.154 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.928 8.774 9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.339 10.191 8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.680 9.217 8.016 1.00 0.00 H new ATOM 567 N LEU A 36 -4.850 7.119 4.858 1.00 0.00 N ATOM 568 CA LEU A 36 -3.937 6.237 4.140 1.00 0.00 C ATOM 569 C LEU A 36 -4.047 6.450 2.633 1.00 0.00 C ATOM 570 O LEU A 36 -3.436 5.726 1.848 1.00 0.00 O ATOM 571 CB LEU A 36 -4.233 4.776 4.483 1.00 0.00 C ATOM 572 CG LEU A 36 -5.447 4.157 3.790 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.007 3.238 2.661 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.304 3.398 4.793 1.00 0.00 C ATOM 0 H LEU A 36 -5.833 6.997 4.614 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.920 6.477 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.355 4.180 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.376 4.698 5.561 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.047 4.961 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.885 2.807 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.435 3.809 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.385 2.439 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.164 2.964 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.713 2.603 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.650 4.082 5.568 1.00 0.00 H new ATOM 586 N ASN A 37 -4.828 7.450 2.238 1.00 0.00 N ATOM 587 CA ASN A 37 -5.017 7.759 0.825 1.00 0.00 C ATOM 588 C ASN A 37 -4.561 9.182 0.514 1.00 0.00 C ATOM 589 O ASN A 37 -4.376 9.544 -0.647 1.00 0.00 O ATOM 590 CB ASN A 37 -6.486 7.586 0.435 1.00 0.00 C ATOM 591 CG ASN A 37 -6.793 8.163 -0.933 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.317 7.662 -1.952 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.592 9.224 -0.962 1.00 0.00 N ATOM 0 H ASN A 37 -5.340 8.060 2.876 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.410 7.066 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.739 6.526 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.116 8.071 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.834 9.656 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.964 9.606 -0.093 1.00 0.00 H new ATOM 600 N GLU A 38 -4.381 9.982 1.561 1.00 0.00 N ATOM 601 CA GLU A 38 -3.947 11.364 1.399 1.00 0.00 C ATOM 602 C GLU A 38 -2.630 11.610 2.129 1.00 0.00 C ATOM 603 O GLU A 38 -1.807 12.417 1.696 1.00 0.00 O ATOM 604 CB GLU A 38 -5.019 12.323 1.920 1.00 0.00 C ATOM 605 CG GLU A 38 -4.493 13.715 2.230 1.00 0.00 C ATOM 606 CD GLU A 38 -5.475 14.807 1.855 1.00 0.00 C ATOM 607 OE1 GLU A 38 -5.899 14.848 0.681 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.821 15.621 2.737 1.00 0.00 O ATOM 0 H GLU A 38 -4.529 9.697 2.529 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.792 11.547 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.815 12.401 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.463 11.902 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.267 13.785 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.557 13.873 1.694 1.00 0.00 H new ATOM 615 N LYS A 39 -2.438 10.909 3.242 1.00 0.00 N ATOM 616 CA LYS A 39 -1.222 11.049 4.034 1.00 0.00 C ATOM 617 C LYS A 39 -0.151 10.070 3.564 1.00 0.00 C ATOM 618 O LYS A 39 1.006 10.156 3.978 1.00 0.00 O ATOM 619 CB LYS A 39 -1.525 10.817 5.516 1.00 0.00 C ATOM 620 CG LYS A 39 -2.768 11.541 6.003 1.00 0.00 C ATOM 621 CD LYS A 39 -2.755 11.720 7.512 1.00 0.00 C ATOM 622 CE LYS A 39 -3.539 12.952 7.935 1.00 0.00 C ATOM 623 NZ LYS A 39 -2.833 13.721 8.997 1.00 0.00 N ATOM 0 H LYS A 39 -3.109 10.238 3.616 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.846 12.063 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.646 9.748 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.670 11.142 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.834 12.516 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.655 10.980 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.180 10.836 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.726 11.805 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.702 13.594 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.522 12.650 8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.400 14.553 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.700 13.117 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.906 14.031 8.643 1.00 0.00 H new ATOM 637 N CYS A 40 -0.543 9.142 2.698 1.00 0.00 N ATOM 638 CA CYS A 40 0.385 8.147 2.171 1.00 0.00 C ATOM 639 C CYS A 40 -0.325 7.197 1.212 1.00 0.00 C ATOM 640 O CYS A 40 -0.769 6.119 1.606 1.00 0.00 O ATOM 641 CB CYS A 40 1.020 7.356 3.316 1.00 0.00 C ATOM 642 SG CYS A 40 -0.159 6.784 4.562 1.00 0.00 S ATOM 0 H CYS A 40 -1.497 9.058 2.346 1.00 0.00 H new ATOM 0 HA CYS A 40 1.168 8.670 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.541 6.493 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.771 7.979 3.801 1.00 0.00 H new ATOM 0 HG CYS A 40 0.362 5.801 5.234 1.00 0.00 H new ATOM 648 N SER A 41 -0.428 7.606 -0.049 1.00 0.00 N ATOM 649 CA SER A 41 -1.088 6.793 -1.064 1.00 0.00 C ATOM 650 C SER A 41 -0.092 6.331 -2.122 1.00 0.00 C ATOM 651 O SER A 41 -0.319 5.338 -2.814 1.00 0.00 O ATOM 652 CB SER A 41 -2.220 7.584 -1.723 1.00 0.00 C ATOM 653 OG SER A 41 -3.407 6.813 -1.794 1.00 0.00 O ATOM 0 H SER A 41 -0.063 8.495 -0.392 1.00 0.00 H new ATOM 0 HA SER A 41 -1.506 5.913 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.408 8.496 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.920 7.888 -2.726 1.00 0.00 H new ATOM 0 HG SER A 41 -4.182 7.410 -1.848 1.00 0.00 H new ATOM 659 N VAL A 42 1.014 7.059 -2.243 1.00 0.00 N ATOM 660 CA VAL A 42 2.047 6.724 -3.216 1.00 0.00 C ATOM 661 C VAL A 42 3.042 5.723 -2.639 1.00 0.00 C ATOM 662 O VAL A 42 3.440 5.826 -1.478 1.00 0.00 O ATOM 663 CB VAL A 42 2.810 7.979 -3.679 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.937 7.600 -4.627 1.00 0.00 C ATOM 665 CG2 VAL A 42 1.858 8.967 -4.338 1.00 0.00 C ATOM 0 H VAL A 42 1.217 7.884 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 42 1.542 6.278 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 42 3.249 8.459 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.464 8.500 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.632 6.932 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.524 7.096 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.413 9.848 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.389 8.498 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.089 9.263 -3.624 1.00 0.00 H new ATOM 675 N TYR A 43 3.440 4.755 -3.456 1.00 0.00 N ATOM 676 CA TYR A 43 4.388 3.733 -3.027 1.00 0.00 C ATOM 677 C TYR A 43 5.449 3.490 -4.096 1.00 0.00 C ATOM 678 O TYR A 43 5.144 3.427 -5.287 1.00 0.00 O ATOM 679 CB TYR A 43 3.655 2.428 -2.714 1.00 0.00 C ATOM 680 CG TYR A 43 2.721 2.526 -1.529 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.523 3.224 -1.619 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.036 1.921 -0.318 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.668 3.318 -0.539 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.186 2.008 0.767 1.00 0.00 C ATOM 685 CZ TYR A 43 1.003 2.708 0.652 1.00 0.00 C ATOM 686 OH TYR A 43 0.153 2.798 1.730 1.00 0.00 O ATOM 0 H TYR A 43 3.121 4.656 -4.420 1.00 0.00 H new ATOM 0 HA TYR A 43 4.884 4.089 -2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.084 2.122 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.389 1.646 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.256 3.701 -2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.962 1.373 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.258 3.866 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.446 1.531 1.700 1.00 0.00 H new ATOM 0 HH TYR A 43 0.536 2.313 2.490 1.00 0.00 H new ATOM 696 N THR A 44 6.697 3.354 -3.661 1.00 0.00 N ATOM 697 CA THR A 44 7.805 3.118 -4.578 1.00 0.00 C ATOM 698 C THR A 44 8.131 1.632 -4.677 1.00 0.00 C ATOM 699 O THR A 44 8.356 0.968 -3.665 1.00 0.00 O ATOM 700 CB THR A 44 9.069 3.882 -4.140 1.00 0.00 C ATOM 701 OG1 THR A 44 8.719 4.924 -3.223 1.00 0.00 O ATOM 702 CG2 THR A 44 9.786 4.476 -5.343 1.00 0.00 C ATOM 0 H THR A 44 6.966 3.403 -2.678 1.00 0.00 H new ATOM 0 HA THR A 44 7.489 3.483 -5.555 1.00 0.00 H new ATOM 0 HB THR A 44 9.740 3.178 -3.649 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.528 5.403 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.675 5.011 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.078 3.676 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.120 5.167 -5.859 1.00 0.00 H new ATOM 710 N VAL A 45 8.154 1.117 -5.902 1.00 0.00 N ATOM 711 CA VAL A 45 8.454 -0.291 -6.132 1.00 0.00 C ATOM 712 C VAL A 45 9.790 -0.458 -6.849 1.00 0.00 C ATOM 713 O VAL A 45 9.923 -0.110 -8.022 1.00 0.00 O ATOM 714 CB VAL A 45 7.350 -0.972 -6.963 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.692 -2.433 -7.211 1.00 0.00 C ATOM 716 CG2 VAL A 45 6.004 -0.842 -6.266 1.00 0.00 C ATOM 0 H VAL A 45 7.969 1.653 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 45 8.508 -0.767 -5.153 1.00 0.00 H new ATOM 0 HB VAL A 45 7.284 -0.471 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.901 -2.897 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.635 -2.499 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.786 -2.952 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.235 -1.328 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.054 -1.317 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.757 0.213 -6.145 1.00 0.00 H new ATOM 726 N GLU A 46 10.775 -0.994 -6.135 1.00 0.00 N ATOM 727 CA GLU A 46 12.101 -1.206 -6.704 1.00 0.00 C ATOM 728 C GLU A 46 12.020 -2.052 -7.971 1.00 0.00 C ATOM 729 O GLU A 46 10.944 -2.507 -8.359 1.00 0.00 O ATOM 730 CB GLU A 46 13.016 -1.885 -5.682 1.00 0.00 C ATOM 731 CG GLU A 46 14.367 -1.208 -5.531 1.00 0.00 C ATOM 732 CD GLU A 46 15.525 -2.179 -5.664 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.775 -2.653 -6.792 1.00 0.00 O ATOM 734 OE2 GLU A 46 16.180 -2.464 -4.640 1.00 0.00 O ATOM 0 H GLU A 46 10.680 -1.289 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 46 12.517 -0.233 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.516 -1.900 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.170 -2.923 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.464 -0.427 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.418 -0.719 -4.558 1.00 0.00 H new ATOM 741 N SER A 47 13.166 -2.258 -8.613 1.00 0.00 N ATOM 742 CA SER A 47 13.225 -3.045 -9.839 1.00 0.00 C ATOM 743 C SER A 47 12.945 -4.517 -9.553 1.00 0.00 C ATOM 744 O SER A 47 12.270 -5.194 -10.328 1.00 0.00 O ATOM 745 CB SER A 47 14.596 -2.894 -10.501 1.00 0.00 C ATOM 746 OG SER A 47 14.535 -3.218 -11.879 1.00 0.00 O ATOM 0 H SER A 47 14.066 -1.891 -8.304 1.00 0.00 H new ATOM 0 HA SER A 47 12.458 -2.673 -10.518 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.951 -1.871 -10.380 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.317 -3.542 -10.003 1.00 0.00 H new ATOM 0 HG SER A 47 15.423 -3.112 -12.280 1.00 0.00 H new ATOM 752 N GLY A 48 13.470 -5.007 -8.434 1.00 0.00 N ATOM 753 CA GLY A 48 13.267 -6.396 -8.065 1.00 0.00 C ATOM 754 C GLY A 48 12.386 -6.547 -6.841 1.00 0.00 C ATOM 755 O GLY A 48 12.879 -6.616 -5.715 1.00 0.00 O ATOM 0 H GLY A 48 14.032 -4.467 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.816 -6.929 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.233 -6.863 -7.874 1.00 0.00 H new ATOM 759 N THR A 49 11.075 -6.598 -7.060 1.00 0.00 N ATOM 760 CA THR A 49 10.123 -6.739 -5.966 1.00 0.00 C ATOM 761 C THR A 49 9.045 -7.763 -6.304 1.00 0.00 C ATOM 762 O THR A 49 8.700 -7.952 -7.470 1.00 0.00 O ATOM 763 CB THR A 49 9.450 -5.395 -5.630 1.00 0.00 C ATOM 764 OG1 THR A 49 10.328 -4.312 -5.958 1.00 0.00 O ATOM 765 CG2 THR A 49 9.083 -5.328 -4.155 1.00 0.00 C ATOM 0 H THR A 49 10.649 -6.544 -7.985 1.00 0.00 H new ATOM 0 HA THR A 49 10.687 -7.081 -5.099 1.00 0.00 H new ATOM 0 HB THR A 49 8.537 -5.313 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.194 -4.054 -6.894 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.609 -4.370 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.392 -6.136 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.984 -5.430 -3.551 1.00 0.00 H new ATOM 773 N GLU A 50 8.516 -8.421 -5.277 1.00 0.00 N ATOM 774 CA GLU A 50 7.477 -9.426 -5.467 1.00 0.00 C ATOM 775 C GLU A 50 6.122 -8.902 -5.000 1.00 0.00 C ATOM 776 O GLU A 50 6.047 -7.984 -4.182 1.00 0.00 O ATOM 777 CB GLU A 50 7.830 -10.707 -4.709 1.00 0.00 C ATOM 778 CG GLU A 50 8.407 -11.799 -5.594 1.00 0.00 C ATOM 779 CD GLU A 50 7.490 -13.001 -5.710 1.00 0.00 C ATOM 780 OE1 GLU A 50 6.265 -12.800 -5.851 1.00 0.00 O ATOM 781 OE2 GLU A 50 7.995 -14.141 -5.659 1.00 0.00 O ATOM 0 H GLU A 50 8.790 -8.276 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 50 7.414 -9.649 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.549 -10.469 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.935 -11.086 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.596 -11.394 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.368 -12.118 -5.191 1.00 0.00 H new ATOM 788 N VAL A 51 5.053 -9.492 -5.525 1.00 0.00 N ATOM 789 CA VAL A 51 3.700 -9.087 -5.162 1.00 0.00 C ATOM 790 C VAL A 51 3.435 -9.323 -3.679 1.00 0.00 C ATOM 791 O VAL A 51 2.483 -8.784 -3.114 1.00 0.00 O ATOM 792 CB VAL A 51 2.646 -9.847 -5.988 1.00 0.00 C ATOM 793 CG1 VAL A 51 1.268 -9.234 -5.790 1.00 0.00 C ATOM 794 CG2 VAL A 51 3.028 -9.856 -7.461 1.00 0.00 C ATOM 0 H VAL A 51 5.098 -10.252 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 51 3.620 -8.021 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 51 2.612 -10.879 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.536 -9.784 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.995 -9.285 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.284 -8.192 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.272 -10.397 -8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.092 -8.831 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.994 -10.346 -7.583 1.00 0.00 H new ATOM 804 N THR A 52 4.284 -10.132 -3.053 1.00 0.00 N ATOM 805 CA THR A 52 4.141 -10.440 -1.636 1.00 0.00 C ATOM 806 C THR A 52 4.950 -9.473 -0.779 1.00 0.00 C ATOM 807 O THR A 52 4.650 -9.274 0.398 1.00 0.00 O ATOM 808 CB THR A 52 4.590 -11.881 -1.327 1.00 0.00 C ATOM 809 OG1 THR A 52 4.548 -12.115 0.086 1.00 0.00 O ATOM 810 CG2 THR A 52 5.998 -12.132 -1.845 1.00 0.00 C ATOM 0 H THR A 52 5.078 -10.586 -3.505 1.00 0.00 H new ATOM 0 HA THR A 52 3.083 -10.337 -1.395 1.00 0.00 H new ATOM 0 HB THR A 52 3.907 -12.566 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.833 -13.033 0.274 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.293 -13.156 -1.615 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.021 -11.981 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.690 -11.439 -1.367 1.00 0.00 H new ATOM 818 N GLU A 53 5.975 -8.875 -1.377 1.00 0.00 N ATOM 819 CA GLU A 53 6.827 -7.928 -0.667 1.00 0.00 C ATOM 820 C GLU A 53 6.033 -6.696 -0.240 1.00 0.00 C ATOM 821 O GLU A 53 6.274 -6.127 0.825 1.00 0.00 O ATOM 822 CB GLU A 53 8.006 -7.508 -1.547 1.00 0.00 C ATOM 823 CG GLU A 53 9.323 -7.415 -0.796 1.00 0.00 C ATOM 824 CD GLU A 53 10.445 -8.163 -1.490 1.00 0.00 C ATOM 825 OE1 GLU A 53 10.201 -9.291 -1.965 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.567 -7.619 -1.557 1.00 0.00 O ATOM 0 H GLU A 53 6.236 -9.029 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 53 7.208 -8.422 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.112 -8.223 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.785 -6.540 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.602 -6.367 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.192 -7.815 0.210 1.00 0.00 H new ATOM 833 N PHE A 54 5.085 -6.291 -1.078 1.00 0.00 N ATOM 834 CA PHE A 54 4.257 -5.126 -0.790 1.00 0.00 C ATOM 835 C PHE A 54 3.279 -5.422 0.344 1.00 0.00 C ATOM 836 O PHE A 54 2.823 -4.513 1.038 1.00 0.00 O ATOM 837 CB PHE A 54 3.489 -4.697 -2.042 1.00 0.00 C ATOM 838 CG PHE A 54 4.303 -4.778 -3.301 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.432 -3.992 -3.464 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.939 -5.642 -4.322 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.182 -4.064 -4.623 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.686 -5.719 -5.483 1.00 0.00 C ATOM 843 CZ PHE A 54 5.809 -4.929 -5.633 1.00 0.00 C ATOM 0 H PHE A 54 4.871 -6.752 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 54 4.913 -4.313 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.605 -5.325 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.138 -3.673 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.730 -3.315 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.062 -6.262 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.059 -3.444 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.392 -6.396 -6.271 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.394 -4.988 -6.539 1.00 0.00 H new ATOM 853 N ALA A 55 2.961 -6.700 0.525 1.00 0.00 N ATOM 854 CA ALA A 55 2.039 -7.116 1.574 1.00 0.00 C ATOM 855 C ALA A 55 2.611 -6.821 2.956 1.00 0.00 C ATOM 856 O ALA A 55 1.869 -6.695 3.932 1.00 0.00 O ATOM 857 CB ALA A 55 1.720 -8.598 1.438 1.00 0.00 C ATOM 0 H ALA A 55 3.328 -7.465 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 55 1.117 -6.545 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.030 -8.896 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.262 -8.784 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.639 -9.177 1.522 1.00 0.00 H new ATOM 863 N CYS A 56 3.933 -6.712 3.034 1.00 0.00 N ATOM 864 CA CYS A 56 4.604 -6.433 4.298 1.00 0.00 C ATOM 865 C CYS A 56 5.185 -5.023 4.306 1.00 0.00 C ATOM 866 O CYS A 56 5.980 -4.672 5.178 1.00 0.00 O ATOM 867 CB CYS A 56 5.713 -7.456 4.547 1.00 0.00 C ATOM 868 SG CYS A 56 5.634 -8.250 6.170 1.00 0.00 S ATOM 0 H CYS A 56 4.561 -6.813 2.237 1.00 0.00 H new ATOM 0 HA CYS A 56 3.866 -6.506 5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.664 -8.225 3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.679 -6.962 4.443 1.00 0.00 H new ATOM 0 HG CYS A 56 6.611 -9.100 6.285 1.00 0.00 H new ATOM 874 N VAL A 57 4.784 -4.218 3.326 1.00 0.00 N ATOM 875 CA VAL A 57 5.265 -2.846 3.219 1.00 0.00 C ATOM 876 C VAL A 57 4.111 -1.852 3.292 1.00 0.00 C ATOM 877 O VAL A 57 4.269 -0.736 3.789 1.00 0.00 O ATOM 878 CB VAL A 57 6.038 -2.623 1.906 1.00 0.00 C ATOM 879 CG1 VAL A 57 6.490 -1.175 1.791 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.225 -3.570 1.819 1.00 0.00 C ATOM 0 H VAL A 57 4.127 -4.493 2.595 1.00 0.00 H new ATOM 0 HA VAL A 57 5.938 -2.680 4.060 1.00 0.00 H new ATOM 0 HB VAL A 57 5.371 -2.837 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.034 -1.037 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.619 -0.520 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.141 -0.929 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.760 -3.398 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.896 -3.391 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.871 -4.601 1.851 1.00 0.00 H new ATOM 890 N VAL A 58 2.950 -2.264 2.795 1.00 0.00 N ATOM 891 CA VAL A 58 1.767 -1.411 2.805 1.00 0.00 C ATOM 892 C VAL A 58 0.908 -1.677 4.035 1.00 0.00 C ATOM 893 O VAL A 58 -0.083 -0.987 4.274 1.00 0.00 O ATOM 894 CB VAL A 58 0.913 -1.620 1.540 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.143 -0.532 1.423 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.796 -1.653 0.301 1.00 0.00 C ATOM 0 H VAL A 58 2.803 -3.184 2.380 1.00 0.00 H new ATOM 0 HA VAL A 58 2.121 -0.380 2.829 1.00 0.00 H new ATOM 0 HB VAL A 58 0.403 -2.580 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.736 -0.696 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.793 -0.561 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.343 0.442 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.176 -1.801 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.334 -0.709 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.510 -2.472 0.385 1.00 0.00 H new ATOM 906 N ALA A 59 1.294 -2.683 4.813 1.00 0.00 N ATOM 907 CA ALA A 59 0.560 -3.039 6.021 1.00 0.00 C ATOM 908 C ALA A 59 1.225 -2.452 7.261 1.00 0.00 C ATOM 909 O ALA A 59 0.581 -2.266 8.293 1.00 0.00 O ATOM 910 CB ALA A 59 0.450 -4.552 6.145 1.00 0.00 C ATOM 0 H ALA A 59 2.111 -3.266 4.628 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.442 -2.617 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.100 -4.804 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.077 -4.951 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.448 -4.987 6.194 1.00 0.00 H new ATOM 916 N GLU A 60 2.518 -2.162 7.153 1.00 0.00 N ATOM 917 CA GLU A 60 3.270 -1.597 8.267 1.00 0.00 C ATOM 918 C GLU A 60 3.331 -0.076 8.166 1.00 0.00 C ATOM 919 O GLU A 60 3.389 0.622 9.178 1.00 0.00 O ATOM 920 CB GLU A 60 4.687 -2.175 8.300 1.00 0.00 C ATOM 921 CG GLU A 60 5.485 -1.901 7.037 1.00 0.00 C ATOM 922 CD GLU A 60 6.520 -0.809 7.226 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.662 -1.133 7.611 1.00 0.00 O ATOM 924 OE2 GLU A 60 6.186 0.371 6.988 1.00 0.00 O ATOM 0 H GLU A 60 3.066 -2.309 6.305 1.00 0.00 H new ATOM 0 HA GLU A 60 2.756 -1.862 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.221 -1.758 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.627 -3.252 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.983 -2.817 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.803 -1.616 6.236 1.00 0.00 H new ATOM 931 N ALA A 61 3.319 0.431 6.938 1.00 0.00 N ATOM 932 CA ALA A 61 3.371 1.869 6.704 1.00 0.00 C ATOM 933 C ALA A 61 1.990 2.499 6.847 1.00 0.00 C ATOM 934 O ALA A 61 1.828 3.708 6.679 1.00 0.00 O ATOM 935 CB ALA A 61 3.946 2.158 5.325 1.00 0.00 C ATOM 0 H ALA A 61 3.274 -0.133 6.089 1.00 0.00 H new ATOM 0 HA ALA A 61 4.022 2.312 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.979 3.235 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.954 1.750 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.317 1.696 4.564 1.00 0.00 H new ATOM 941 N VAL A 62 0.997 1.672 7.157 1.00 0.00 N ATOM 942 CA VAL A 62 -0.371 2.149 7.323 1.00 0.00 C ATOM 943 C VAL A 62 -0.767 2.183 8.795 1.00 0.00 C ATOM 944 O VAL A 62 -1.521 3.055 9.227 1.00 0.00 O ATOM 945 CB VAL A 62 -1.371 1.265 6.555 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.278 1.529 5.060 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.126 -0.205 6.860 1.00 0.00 C ATOM 0 H VAL A 62 1.114 0.669 7.298 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.404 3.160 6.917 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.379 1.518 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.992 0.895 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.506 2.576 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.269 1.305 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.842 -0.815 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.113 -0.475 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.247 -0.380 7.929 1.00 0.00 H new ATOM 957 N VAL A 63 -0.252 1.227 9.563 1.00 0.00 N ATOM 958 CA VAL A 63 -0.550 1.148 10.988 1.00 0.00 C ATOM 959 C VAL A 63 -0.149 2.432 11.705 1.00 0.00 C ATOM 960 O VAL A 63 -0.998 3.161 12.218 1.00 0.00 O ATOM 961 CB VAL A 63 0.172 -0.043 11.647 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.086 -0.060 13.146 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.266 -1.351 11.007 1.00 0.00 C ATOM 0 H VAL A 63 0.373 0.497 9.222 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.627 1.006 11.079 1.00 0.00 H new ATOM 0 HB VAL A 63 1.244 0.071 11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.432 -0.908 13.595 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.282 0.866 13.589 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.157 -0.150 13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.254 -2.182 11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.342 -1.475 11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.025 -1.335 9.944 1.00 0.00 H new ATOM 973 N LYS A 64 1.151 2.703 11.738 1.00 0.00 N ATOM 974 CA LYS A 64 1.667 3.900 12.391 1.00 0.00 C ATOM 975 C LYS A 64 0.942 5.147 11.894 1.00 0.00 C ATOM 976 O LYS A 64 0.672 6.069 12.663 1.00 0.00 O ATOM 977 CB LYS A 64 3.170 4.036 12.138 1.00 0.00 C ATOM 978 CG LYS A 64 3.550 3.954 10.670 1.00 0.00 C ATOM 979 CD LYS A 64 4.641 2.923 10.433 1.00 0.00 C ATOM 980 CE LYS A 64 5.985 3.403 10.958 1.00 0.00 C ATOM 981 NZ LYS A 64 7.102 2.527 10.508 1.00 0.00 N ATOM 0 H LYS A 64 1.867 2.109 11.320 1.00 0.00 H new ATOM 0 HA LYS A 64 1.492 3.803 13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.513 4.989 12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.694 3.252 12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.671 3.697 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.890 4.931 10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.371 1.987 10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.720 2.714 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.164 4.423 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.961 3.430 12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.001 2.888 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.945 1.559 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.142 2.522 9.469 1.00 0.00 H new ATOM 995 N THR A 65 0.629 5.168 10.602 1.00 0.00 N ATOM 996 CA THR A 65 -0.065 6.300 10.002 1.00 0.00 C ATOM 997 C THR A 65 -1.510 6.376 10.482 1.00 0.00 C ATOM 998 O THR A 65 -2.081 7.462 10.594 1.00 0.00 O ATOM 999 CB THR A 65 -0.051 6.218 8.464 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.294 6.065 7.994 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.669 7.464 7.849 1.00 0.00 C ATOM 0 H THR A 65 0.846 4.413 9.951 1.00 0.00 H new ATOM 0 HA THR A 65 0.467 7.198 10.315 1.00 0.00 H new ATOM 0 HB THR A 65 -0.642 5.353 8.163 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.371 5.229 7.488 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.648 7.382 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.701 7.562 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.102 8.342 8.158 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.096 5.219 10.765 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.476 5.154 11.234 1.00 0.00 C ATOM 1011 C LEU A 66 -3.533 4.749 12.704 1.00 0.00 C ATOM 1012 O LEU A 66 -4.276 3.842 13.078 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.277 4.163 10.388 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.624 4.618 8.970 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -4.037 3.661 7.944 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.133 4.726 8.799 1.00 0.00 C ATOM 0 H LEU A 66 -1.637 4.312 10.678 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.916 6.146 11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.712 3.233 10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.205 3.935 10.912 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.188 5.604 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.294 4.001 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.953 3.633 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.443 2.662 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.362 5.051 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.590 3.753 8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.529 5.451 9.510 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.746 5.429 13.531 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.708 5.140 14.959 1.00 0.00 C ATOM 1030 C GLN A 67 -2.945 6.405 15.777 1.00 0.00 C ATOM 1031 O GLN A 67 -2.361 6.604 16.842 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.364 4.516 15.340 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.332 3.004 15.194 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.969 2.300 16.487 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.844 1.911 17.262 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.326 2.133 16.727 1.00 0.00 N ATOM 0 H GLN A 67 -2.126 6.184 13.237 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.505 4.431 15.181 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.582 4.949 14.717 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.131 4.778 16.372 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.308 2.655 14.856 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.612 2.733 14.422 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.017 2.471 16.057 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.630 1.666 17.581 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.823 7.283 15.269 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.157 8.545 15.936 1.00 0.00 C ATOM 1047 C PRO A 68 -4.963 8.329 17.212 1.00 0.00 C ATOM 1048 O PRO A 68 -4.644 8.889 18.262 1.00 0.00 O ATOM 1049 CB PRO A 68 -4.996 9.286 14.893 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.581 8.211 14.043 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.556 7.112 14.003 1.00 0.00 C ATOM 0 HA PRO A 68 -3.266 9.089 16.250 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.775 9.885 15.365 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.383 9.967 14.303 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.522 7.852 14.460 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.797 8.580 13.040 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.023 6.129 13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.897 7.209 13.141 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.008 7.514 17.116 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.859 7.224 18.264 1.00 0.00 C ATOM 1061 C VAL A 69 -7.548 5.872 18.110 1.00 0.00 C ATOM 1062 O VAL A 69 -8.776 5.790 18.078 1.00 0.00 O ATOM 1063 CB VAL A 69 -7.929 8.314 18.460 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.330 9.536 19.139 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.557 8.689 17.126 1.00 0.00 C ATOM 0 H VAL A 69 -6.286 7.043 16.255 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.211 7.201 19.140 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.712 7.918 19.106 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.102 10.295 19.269 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.932 9.252 20.114 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.526 9.938 18.522 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.311 9.460 17.283 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.786 9.066 16.454 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.025 7.809 16.684 1.00 0.00 H new ATOM 1075 N SER A 70 -6.749 4.814 18.014 1.00 0.00 N ATOM 1076 CA SER A 70 -7.282 3.466 17.859 1.00 0.00 C ATOM 1077 C SER A 70 -8.039 3.034 19.111 1.00 0.00 C ATOM 1078 O SER A 70 -8.771 2.044 19.097 1.00 0.00 O ATOM 1079 CB SER A 70 -6.150 2.478 17.567 1.00 0.00 C ATOM 1080 OG SER A 70 -4.954 2.867 18.219 1.00 0.00 O ATOM 0 H SER A 70 -5.731 4.865 18.041 1.00 0.00 H new ATOM 0 HA SER A 70 -7.977 3.471 17.019 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.440 1.480 17.897 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.980 2.422 16.492 1.00 0.00 H new ATOM 0 HG SER A 70 -4.246 2.219 18.018 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.858 3.784 20.192 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.525 3.481 21.453 1.00 0.00 C ATOM 1088 C ASP A 71 -10.041 3.553 21.298 1.00 0.00 C ATOM 1089 O ASP A 71 -10.786 3.028 22.127 1.00 0.00 O ATOM 1090 CB ASP A 71 -8.065 4.450 22.544 1.00 0.00 C ATOM 1091 CG ASP A 71 -6.564 4.663 22.533 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -5.833 3.765 23.002 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -6.120 5.728 22.055 1.00 0.00 O ATOM 0 H ASP A 71 -7.255 4.606 20.221 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.256 2.465 21.743 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.566 5.409 22.410 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.368 4.066 23.518 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.491 4.206 20.233 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.918 4.348 19.969 1.00 0.00 C ATOM 1100 C LEU A 72 -12.403 3.272 19.002 1.00 0.00 C ATOM 1101 O LEU A 72 -13.521 2.770 19.125 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.216 5.735 19.396 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.822 5.957 17.935 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.965 5.571 17.010 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.414 7.405 17.707 1.00 0.00 C ATOM 0 H LEU A 72 -9.888 4.646 19.538 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.450 4.229 20.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.285 5.925 19.496 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.701 6.477 20.007 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.967 5.320 17.708 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.667 5.736 15.975 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.210 4.519 17.154 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.839 6.182 17.237 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.137 7.545 16.662 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.249 8.061 17.952 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.563 7.648 18.344 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.555 2.920 18.043 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.895 1.901 17.056 1.00 0.00 C ATOM 1119 C LEU A 73 -12.157 0.558 17.729 1.00 0.00 C ATOM 1120 O LEU A 73 -12.974 -0.236 17.260 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.769 1.760 16.030 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.210 3.066 15.463 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.062 2.784 14.507 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.307 3.856 14.764 1.00 0.00 C ATOM 0 H LEU A 73 -10.626 3.325 17.927 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.805 2.214 16.545 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.950 1.208 16.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.134 1.154 15.201 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.828 3.665 16.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.677 3.725 14.113 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.267 2.260 15.038 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.418 2.165 13.684 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.892 4.782 14.367 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.718 3.263 13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.098 4.090 15.477 1.00 0.00 H new ATOM 1136 N THR A 74 -11.460 0.309 18.833 1.00 0.00 N ATOM 1137 CA THR A 74 -11.617 -0.938 19.572 1.00 0.00 C ATOM 1138 C THR A 74 -12.973 -0.998 20.267 1.00 0.00 C ATOM 1139 O THR A 74 -13.434 -2.069 20.655 1.00 0.00 O ATOM 1140 CB THR A 74 -10.505 -1.112 20.623 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.461 -0.158 20.395 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.932 -2.520 20.577 1.00 0.00 C ATOM 0 H THR A 74 -10.781 0.955 19.235 1.00 0.00 H new ATOM 0 HA THR A 74 -11.549 -1.747 18.845 1.00 0.00 H new ATOM 0 HB THR A 74 -10.939 -0.946 21.609 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.759 -0.274 21.068 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.148 -2.619 21.328 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.723 -3.242 20.781 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.513 -2.710 19.589 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.606 0.161 20.420 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.909 0.240 21.068 1.00 0.00 C ATOM 1152 C ASN A 75 -16.007 -0.287 20.149 1.00 0.00 C ATOM 1153 O ASN A 75 -17.062 -0.721 20.610 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.215 1.684 21.472 1.00 0.00 C ATOM 1155 CG ASN A 75 -14.183 2.247 22.429 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -13.435 1.502 23.062 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -14.139 3.570 22.539 1.00 0.00 N ATOM 0 H ASN A 75 -13.237 1.058 20.104 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.880 -0.382 21.963 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.257 2.307 20.579 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.200 1.727 21.937 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.466 4.007 23.168 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.779 4.149 21.995 1.00 0.00 H new ATOM 1164 N MET A 76 -15.750 -0.244 18.845 1.00 0.00 N ATOM 1165 CA MET A 76 -16.716 -0.719 17.861 1.00 0.00 C ATOM 1166 C MET A 76 -16.327 -2.098 17.338 1.00 0.00 C ATOM 1167 O MET A 76 -17.175 -2.859 16.876 1.00 0.00 O ATOM 1168 CB MET A 76 -16.819 0.270 16.698 1.00 0.00 C ATOM 1169 CG MET A 76 -15.471 0.670 16.120 1.00 0.00 C ATOM 1170 SD MET A 76 -15.623 1.795 14.719 1.00 0.00 S ATOM 1171 CE MET A 76 -15.011 3.316 15.439 1.00 0.00 C ATOM 0 H MET A 76 -14.882 0.114 18.446 1.00 0.00 H new ATOM 0 HA MET A 76 -17.687 -0.797 18.350 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.427 -0.172 15.909 1.00 0.00 H new ATOM 0 HB3 MET A 76 -17.340 1.165 17.038 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.872 1.144 16.898 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.935 -0.225 15.806 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.733 4.115 15.271 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.865 3.178 16.510 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.061 3.582 14.975 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.037 -2.413 17.415 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.558 -3.700 16.945 1.00 0.00 C ATOM 1183 C GLY A 77 -13.327 -3.576 16.069 1.00 0.00 C ATOM 1184 O GLY A 77 -12.452 -4.442 16.092 1.00 0.00 O ATOM 0 H GLY A 77 -14.316 -1.800 17.794 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.328 -4.334 17.802 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.350 -4.197 16.385 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.261 -2.499 15.294 1.00 0.00 N ATOM 1189 CA ILE A 78 -12.128 -2.266 14.406 1.00 0.00 C ATOM 1190 C ILE A 78 -10.813 -2.277 15.179 1.00 0.00 C ATOM 1191 O ILE A 78 -10.526 -1.359 15.947 1.00 0.00 O ATOM 1192 CB ILE A 78 -12.263 -0.925 13.662 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.476 -0.953 12.731 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.994 -0.624 12.879 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.719 0.358 12.015 1.00 0.00 C ATOM 0 H ILE A 78 -13.978 -1.774 15.263 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.125 -3.077 13.678 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.411 -0.133 14.396 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.338 -1.742 11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.363 -1.211 13.310 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.105 0.327 12.358 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.149 -0.566 13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.818 -1.417 12.152 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.594 0.265 11.372 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.889 1.147 12.748 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.849 0.608 11.408 1.00 0.00 H new ATOM 1207 N ASP A 79 -10.018 -3.320 14.967 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.731 -3.449 15.641 1.00 0.00 C ATOM 1209 C ASP A 79 -7.606 -2.891 14.775 1.00 0.00 C ATOM 1210 O ASP A 79 -7.520 -3.188 13.583 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.453 -4.914 15.979 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.176 -5.126 17.454 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.363 -4.366 18.020 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.772 -6.052 18.042 1.00 0.00 O ATOM 0 H ASP A 79 -10.242 -4.088 14.334 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.773 -2.873 16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.308 -5.521 15.682 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.599 -5.262 15.398 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.746 -2.080 15.382 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.626 -1.479 14.667 1.00 0.00 C ATOM 1221 C LEU A 80 -4.385 -2.361 14.757 1.00 0.00 C ATOM 1222 O LEU A 80 -3.581 -2.416 13.827 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.321 -0.090 15.231 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.734 0.921 14.246 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.329 0.511 13.834 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.631 1.058 13.025 1.00 0.00 C ATOM 0 H LEU A 80 -6.803 -1.824 16.368 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.906 -1.385 13.618 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.243 0.324 15.640 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.626 -0.202 16.063 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.677 1.891 14.741 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.927 1.242 13.133 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.690 0.465 14.716 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.361 -0.469 13.358 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.198 1.782 12.335 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.720 0.092 12.529 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.619 1.399 13.335 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.238 -3.051 15.883 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.097 -3.934 16.094 1.00 0.00 C ATOM 1240 C ASP A 81 -3.173 -5.150 15.175 1.00 0.00 C ATOM 1241 O ASP A 81 -2.162 -5.796 14.901 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.037 -4.386 17.554 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.996 -3.627 18.353 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.946 -2.385 18.235 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.231 -4.276 19.097 1.00 0.00 O ATOM 0 H ASP A 81 -4.894 -3.016 16.663 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.190 -3.378 15.857 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.015 -4.248 18.014 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.814 -5.452 17.592 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.378 -5.455 14.704 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.585 -6.594 13.818 1.00 0.00 C ATOM 1252 C GLU A 82 -4.163 -6.257 12.391 1.00 0.00 C ATOM 1253 O GLU A 82 -3.726 -7.129 11.640 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.054 -7.024 13.839 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.934 -6.231 12.888 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.407 -6.339 13.231 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.824 -7.402 13.736 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.144 -5.358 12.994 1.00 0.00 O ATOM 0 H GLU A 82 -5.225 -4.930 14.921 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.967 -7.418 14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.118 -8.082 13.583 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.441 -6.917 14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.635 -5.183 12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.775 -6.586 11.870 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.299 -4.988 12.025 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.932 -4.535 10.687 1.00 0.00 C ATOM 1267 C TRP A 83 -2.504 -4.946 10.346 1.00 0.00 C ATOM 1268 O TRP A 83 -2.216 -5.346 9.218 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.078 -3.016 10.583 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.503 -2.561 10.498 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.617 -3.294 10.795 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.968 -1.271 10.087 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.745 -2.537 10.594 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.374 -1.291 10.160 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.332 -0.099 9.667 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.153 -0.186 9.826 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -6.107 0.996 9.336 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.505 0.947 9.418 1.00 0.00 C ATOM 0 H TRP A 83 -4.660 -4.254 12.635 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.606 -5.007 9.972 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.607 -2.553 11.450 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.539 -2.666 9.703 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.611 -4.318 11.138 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.704 -2.851 10.744 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.255 -0.050 9.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.231 -0.223 9.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.627 1.906 9.008 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -8.082 1.821 9.154 1.00 0.00 H new ATOM 1289 N SER A 84 -1.613 -4.844 11.328 1.00 0.00 N ATOM 1290 CA SER A 84 -0.213 -5.202 11.129 1.00 0.00 C ATOM 1291 C SER A 84 -0.051 -6.714 11.007 1.00 0.00 C ATOM 1292 O SER A 84 0.836 -7.201 10.305 1.00 0.00 O ATOM 1293 CB SER A 84 0.638 -4.678 12.288 1.00 0.00 C ATOM 1294 OG SER A 84 1.642 -5.612 12.646 1.00 0.00 O ATOM 0 H SER A 84 -1.836 -4.517 12.268 1.00 0.00 H new ATOM 0 HA SER A 84 0.126 -4.742 10.201 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.101 -3.732 12.005 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.001 -4.476 13.149 1.00 0.00 H new ATOM 0 HG SER A 84 2.173 -5.253 13.387 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.915 -7.453 11.696 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.869 -8.910 11.666 1.00 0.00 C ATOM 1302 C VAL A 85 -2.080 -9.483 10.937 1.00 0.00 C ATOM 1303 O VAL A 85 -2.642 -10.497 11.349 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.813 -9.500 13.087 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.435 -9.023 13.814 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.067 -9.134 13.866 1.00 0.00 C ATOM 0 H VAL A 85 -1.655 -7.066 12.282 1.00 0.00 H new ATOM 0 HA VAL A 85 0.039 -9.187 11.130 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.766 -10.586 13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.458 -9.450 14.817 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.321 -9.341 13.264 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.422 -7.935 13.883 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.010 -9.559 14.868 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.148 -8.049 13.936 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.943 -9.531 13.353 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.477 -8.825 9.853 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.620 -9.269 9.066 1.00 0.00 C ATOM 1318 C ALA A 86 -3.182 -9.759 7.690 1.00 0.00 C ATOM 1319 O ALA A 86 -1.988 -9.843 7.400 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.636 -8.145 8.928 1.00 0.00 C ATOM 0 H ALA A 86 -2.024 -7.982 9.500 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.087 -10.103 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.484 -8.492 8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.981 -7.843 9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.171 -7.294 8.431 1.00 0.00 H new ATOM 1326 N THR A 87 -4.155 -10.084 6.844 1.00 0.00 N ATOM 1327 CA THR A 87 -3.869 -10.568 5.500 1.00 0.00 C ATOM 1328 C THR A 87 -4.274 -9.541 4.448 1.00 0.00 C ATOM 1329 O THR A 87 -5.450 -9.417 4.108 1.00 0.00 O ATOM 1330 CB THR A 87 -4.599 -11.894 5.213 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.546 -12.742 6.366 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.976 -12.609 4.023 1.00 0.00 C ATOM 0 H THR A 87 -5.148 -10.020 7.067 1.00 0.00 H new ATOM 0 HA THR A 87 -2.793 -10.735 5.447 1.00 0.00 H new ATOM 0 HB THR A 87 -5.638 -11.667 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.014 -13.582 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.508 -13.542 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.044 -11.973 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.929 -12.824 4.235 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.291 -8.808 3.936 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.545 -7.790 2.922 1.00 0.00 C ATOM 1342 C PHE A 88 -3.257 -8.331 1.525 1.00 0.00 C ATOM 1343 O PHE A 88 -2.104 -8.567 1.164 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.689 -6.551 3.188 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.331 -5.568 4.126 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.961 -6.003 5.280 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.303 -4.210 3.852 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.553 -5.102 6.145 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.892 -3.304 4.714 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.519 -3.751 5.861 1.00 0.00 C ATOM 0 H PHE A 88 -2.312 -8.899 4.206 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.598 -7.514 2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.731 -6.864 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.480 -6.054 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.990 -7.059 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.816 -3.856 2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.041 -5.454 7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.862 -2.248 4.491 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.982 -3.045 6.535 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.314 -8.526 0.744 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.176 -9.042 -0.613 1.00 0.00 C ATOM 1362 C TYR A 89 -4.124 -7.903 -1.626 1.00 0.00 C ATOM 1363 O TYR A 89 -4.907 -6.955 -1.554 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.337 -9.981 -0.944 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.316 -11.272 -0.157 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.463 -12.310 -0.511 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.149 -11.454 0.940 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.440 -13.491 0.205 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.132 -12.631 1.662 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.276 -13.647 1.291 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.257 -14.821 2.007 1.00 0.00 O ATOM 0 H TYR A 89 -5.275 -8.335 1.027 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.240 -9.598 -0.670 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.277 -9.464 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.313 -10.214 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.807 -12.191 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.821 -10.661 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.771 -14.288 -0.084 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.786 -12.755 2.513 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.905 -14.767 2.740 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.195 -8.003 -2.571 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.039 -6.982 -3.602 1.00 0.00 C ATOM 1383 C LEU A 90 -3.779 -7.376 -4.876 1.00 0.00 C ATOM 1384 O LEU A 90 -3.757 -8.537 -5.285 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.557 -6.760 -3.907 1.00 0.00 C ATOM 1386 CG LEU A 90 -0.701 -6.254 -2.746 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.412 -5.131 -2.008 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.367 -7.393 -1.794 1.00 0.00 C ATOM 0 H LEU A 90 -2.539 -8.780 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.470 -6.054 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.135 -7.701 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.478 -6.047 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 90 0.231 -5.861 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.787 -4.784 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.599 -4.306 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.360 -5.497 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.243 -7.015 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.289 -7.816 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.185 -8.165 -2.330 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.433 -6.402 -5.500 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.179 -6.647 -6.729 1.00 0.00 C ATOM 1402 C PHE A 91 -5.168 -5.413 -7.627 1.00 0.00 C ATOM 1403 O PHE A 91 -4.559 -4.396 -7.295 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.620 -7.044 -6.405 1.00 0.00 C ATOM 1405 CG PHE A 91 -6.860 -8.526 -6.457 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.013 -9.174 -7.672 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -6.933 -9.270 -5.291 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.235 -10.537 -7.722 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -7.154 -10.634 -5.335 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.304 -11.268 -6.552 1.00 0.00 C ATOM 0 H PHE A 91 -4.462 -5.436 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.695 -7.466 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.874 -6.678 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.291 -6.550 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.958 -8.608 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.816 -8.779 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.354 -11.030 -8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.209 -11.203 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.475 -12.334 -6.589 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.846 -5.512 -8.765 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.917 -4.404 -9.711 1.00 0.00 C ATOM 1422 C ASP A 92 -7.274 -4.369 -10.406 1.00 0.00 C ATOM 1423 O ASP A 92 -8.172 -5.144 -10.077 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.800 -4.522 -10.750 1.00 0.00 C ATOM 1425 CG ASP A 92 -4.617 -5.943 -11.245 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -5.615 -6.694 -11.277 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.476 -6.305 -11.600 1.00 0.00 O ATOM 0 H ASP A 92 -6.354 -6.348 -9.055 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.790 -3.475 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.024 -3.872 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.865 -4.169 -10.316 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.417 -3.464 -11.368 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.665 -3.327 -12.110 1.00 0.00 C ATOM 1434 C ASP A 93 -8.848 -4.486 -13.084 1.00 0.00 C ATOM 1435 O ASP A 93 -9.893 -4.616 -13.720 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.689 -1.998 -12.868 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.807 -2.019 -14.101 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -6.802 -2.760 -14.098 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -8.120 -1.294 -15.068 1.00 0.00 O ATOM 0 H ASP A 93 -6.684 -2.814 -11.652 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.488 -3.344 -11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.713 -1.769 -13.161 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.361 -1.198 -12.204 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.823 -5.325 -13.196 1.00 0.00 N ATOM 1445 CA ALA A 94 -7.872 -6.474 -14.092 1.00 0.00 C ATOM 1446 C ALA A 94 -8.308 -7.732 -13.349 1.00 0.00 C ATOM 1447 O ALA A 94 -8.384 -8.814 -13.930 1.00 0.00 O ATOM 1448 CB ALA A 94 -6.515 -6.690 -14.747 1.00 0.00 C ATOM 0 H ALA A 94 -6.949 -5.231 -12.678 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.610 -6.268 -14.867 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.566 -7.551 -15.413 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.242 -5.804 -15.320 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.764 -6.870 -13.978 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.595 -7.582 -12.059 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.020 -8.715 -11.258 1.00 0.00 C ATOM 1456 C GLY A 95 -7.894 -9.695 -10.997 1.00 0.00 C ATOM 1457 O GLY A 95 -8.129 -10.894 -10.844 1.00 0.00 O ATOM 0 H GLY A 95 -8.541 -6.697 -11.555 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.413 -8.356 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.835 -9.230 -11.766 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.667 -9.186 -10.947 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.500 -10.027 -10.706 1.00 0.00 C ATOM 1463 C GLU A 96 -4.593 -9.407 -9.647 1.00 0.00 C ATOM 1464 O GLU A 96 -4.631 -8.200 -9.413 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.718 -10.238 -12.004 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.062 -8.973 -12.531 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.239 -9.220 -13.780 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.402 -10.294 -14.396 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -2.432 -8.339 -14.142 1.00 0.00 O ATOM 0 H GLU A 96 -6.455 -8.196 -11.070 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.849 -10.993 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.950 -10.993 -11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.392 -10.632 -12.765 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.832 -8.232 -12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.422 -8.550 -11.756 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.779 -10.243 -9.010 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.863 -9.778 -7.976 1.00 0.00 C ATOM 1478 C GLU A 97 -1.512 -9.398 -8.576 1.00 0.00 C ATOM 1479 O GLU A 97 -0.545 -10.152 -8.480 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.674 -10.857 -6.908 1.00 0.00 C ATOM 1481 CG GLU A 97 -1.674 -10.476 -5.828 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.095 -10.949 -4.450 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -2.931 -11.874 -4.371 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -1.590 -10.395 -3.452 1.00 0.00 O ATOM 0 H GLU A 97 -3.736 -11.246 -9.192 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.298 -8.892 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.637 -11.068 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.344 -11.778 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.701 -10.902 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.554 -9.393 -5.815 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.455 -8.223 -9.195 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.224 -7.743 -9.812 1.00 0.00 C ATOM 1493 C ASN A 98 0.199 -6.406 -9.213 1.00 0.00 C ATOM 1494 O ASN A 98 -0.431 -5.903 -8.282 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.409 -7.602 -11.325 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.381 -8.940 -12.038 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.301 -9.825 -11.671 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.457 -9.175 -12.908 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.247 -7.586 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 98 0.561 -8.473 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.358 -7.105 -11.528 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.377 -6.963 -11.726 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.145 -8.465 -13.158 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.463 -10.080 -13.379 1.00 0.00 H new ATOM 1505 N PHE A 99 1.269 -5.833 -9.755 1.00 0.00 N ATOM 1506 CA PHE A 99 1.776 -4.553 -9.274 1.00 0.00 C ATOM 1507 C PHE A 99 1.765 -3.510 -10.388 1.00 0.00 C ATOM 1508 O PHE A 99 2.808 -2.974 -10.762 1.00 0.00 O ATOM 1509 CB PHE A 99 3.196 -4.717 -8.728 1.00 0.00 C ATOM 1510 CG PHE A 99 4.066 -5.602 -9.574 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.090 -6.972 -9.367 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.858 -5.065 -10.575 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.890 -7.789 -10.144 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.660 -5.877 -11.355 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.675 -7.241 -11.140 1.00 0.00 C ATOM 0 H PHE A 99 1.801 -6.235 -10.527 1.00 0.00 H new ATOM 0 HA PHE A 99 1.122 -4.209 -8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.661 -3.735 -8.647 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.144 -5.129 -7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.477 -7.406 -8.591 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.849 -3.999 -10.748 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.901 -8.855 -9.972 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.274 -5.445 -12.131 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.299 -7.878 -11.749 1.00 0.00 H new ATOM 1525 N SER A 100 0.578 -3.229 -10.915 1.00 0.00 N ATOM 1526 CA SER A 100 0.430 -2.254 -11.989 1.00 0.00 C ATOM 1527 C SER A 100 0.453 -0.831 -11.438 1.00 0.00 C ATOM 1528 O SER A 100 0.676 -0.618 -10.246 1.00 0.00 O ATOM 1529 CB SER A 100 -0.875 -2.497 -12.750 1.00 0.00 C ATOM 1530 OG SER A 100 -0.907 -1.753 -13.956 1.00 0.00 O ATOM 0 H SER A 100 -0.295 -3.663 -10.616 1.00 0.00 H new ATOM 0 HA SER A 100 1.270 -2.374 -12.674 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.978 -3.559 -12.971 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.722 -2.218 -12.124 1.00 0.00 H new ATOM 0 HG SER A 100 0.003 -1.663 -14.309 1.00 0.00 H new ATOM 1536 N SER A 101 0.221 0.140 -12.315 1.00 0.00 N ATOM 1537 CA SER A 101 0.219 1.544 -11.919 1.00 0.00 C ATOM 1538 C SER A 101 -0.701 1.769 -10.724 1.00 0.00 C ATOM 1539 O SER A 101 -0.476 2.670 -9.915 1.00 0.00 O ATOM 1540 CB SER A 101 -0.221 2.425 -13.090 1.00 0.00 C ATOM 1541 OG SER A 101 0.686 3.494 -13.293 1.00 0.00 O ATOM 0 H SER A 101 0.032 -0.019 -13.305 1.00 0.00 H new ATOM 0 HA SER A 101 1.234 1.817 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.288 1.824 -13.997 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.218 2.821 -12.896 1.00 0.00 H new ATOM 0 HG SER A 101 0.383 4.041 -14.048 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.738 0.945 -10.619 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.694 1.054 -9.524 1.00 0.00 C ATOM 1549 C ARG A 102 -2.984 -0.315 -8.916 1.00 0.00 C ATOM 1550 O ARG A 102 -3.296 -1.268 -9.629 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.995 1.691 -10.016 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.070 1.786 -8.945 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.342 3.231 -8.555 1.00 0.00 C ATOM 1554 NE ARG A 102 -6.724 3.432 -8.130 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.754 3.463 -8.968 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -7.558 3.306 -10.270 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -8.983 3.650 -8.504 1.00 0.00 N ATOM 0 H ARG A 102 -1.938 0.194 -11.280 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.255 1.688 -8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.780 2.691 -10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.380 1.110 -10.854 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.989 1.327 -9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.759 1.223 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.669 3.522 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.125 3.882 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.909 3.555 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.615 3.161 -10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.351 3.330 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.137 3.770 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.773 3.674 -9.148 1.00 0.00 H new ATOM 1571 N MET A 103 -2.877 -0.404 -7.594 1.00 0.00 N ATOM 1572 CA MET A 103 -3.128 -1.657 -6.891 1.00 0.00 C ATOM 1573 C MET A 103 -4.109 -1.448 -5.742 1.00 0.00 C ATOM 1574 O MET A 103 -3.894 -0.599 -4.876 1.00 0.00 O ATOM 1575 CB MET A 103 -1.817 -2.239 -6.359 1.00 0.00 C ATOM 1576 CG MET A 103 -1.146 -1.367 -5.310 1.00 0.00 C ATOM 1577 SD MET A 103 0.600 -1.760 -5.094 1.00 0.00 S ATOM 1578 CE MET A 103 0.513 -2.977 -3.783 1.00 0.00 C ATOM 0 H MET A 103 -2.619 0.375 -6.989 1.00 0.00 H new ATOM 0 HA MET A 103 -3.569 -2.360 -7.598 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.013 -3.222 -5.931 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.129 -2.385 -7.192 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.246 -0.320 -5.596 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.662 -1.489 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.517 -3.187 -3.414 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.100 -2.591 -2.968 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.069 -3.895 -4.168 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.186 -2.226 -5.740 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.201 -2.124 -4.699 1.00 0.00 C ATOM 1590 C TYR A 104 -5.790 -2.911 -3.458 1.00 0.00 C ATOM 1591 O TYR A 104 -4.894 -3.754 -3.513 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.547 -2.634 -5.217 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.198 -1.710 -6.222 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.374 -0.361 -5.942 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.637 -2.187 -7.451 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.969 0.487 -6.857 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.232 -1.347 -8.372 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.397 -0.011 -8.070 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.989 0.830 -8.984 1.00 0.00 O ATOM 0 H TYR A 104 -5.378 -2.934 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.299 -1.074 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.403 -3.613 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.223 -2.773 -4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.040 0.032 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.511 -3.233 -7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.098 1.534 -6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.566 -1.734 -9.323 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.231 0.322 -9.787 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.451 -2.629 -2.341 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.156 -3.310 -1.085 1.00 0.00 C ATOM 1611 C CYS A 105 -7.386 -4.046 -0.564 1.00 0.00 C ATOM 1612 O CYS A 105 -8.204 -3.474 0.157 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.666 -2.306 -0.041 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.679 -0.813 0.082 1.00 0.00 S ATOM 0 H CYS A 105 -7.195 -1.934 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.370 -4.042 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.639 -2.795 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.642 -2.019 -0.282 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.185 -0.027 0.993 1.00 0.00 H new ATOM 1620 N SER A 106 -7.510 -5.316 -0.934 1.00 0.00 N ATOM 1621 CA SER A 106 -8.643 -6.129 -0.508 1.00 0.00 C ATOM 1622 C SER A 106 -8.244 -7.062 0.632 1.00 0.00 C ATOM 1623 O SER A 106 -7.158 -7.641 0.624 1.00 0.00 O ATOM 1624 CB SER A 106 -9.184 -6.945 -1.684 1.00 0.00 C ATOM 1625 OG SER A 106 -8.182 -7.152 -2.664 1.00 0.00 O ATOM 0 H SER A 106 -6.840 -5.805 -1.528 1.00 0.00 H new ATOM 0 HA SER A 106 -9.425 -5.459 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.551 -7.907 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.033 -6.427 -2.131 1.00 0.00 H new ATOM 0 HG SER A 106 -8.552 -7.677 -3.404 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.131 -7.202 1.612 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.873 -8.063 2.760 1.00 0.00 C ATOM 1633 C PHE A 107 -9.111 -9.528 2.405 1.00 0.00 C ATOM 1634 O PHE A 107 -8.399 -10.415 2.875 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.763 -7.660 3.937 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.230 -7.836 3.667 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.861 -9.036 3.953 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.978 -6.802 3.127 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.211 -9.202 3.706 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -13.328 -6.962 2.879 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.945 -8.163 3.167 1.00 0.00 C ATOM 0 H PHE A 107 -10.035 -6.730 1.634 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.828 -7.942 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.489 -8.253 4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.570 -6.617 4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.291 -9.851 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.501 -5.861 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.691 -10.142 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.900 -6.148 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.999 -8.290 2.971 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.118 -9.773 1.574 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.453 -11.130 1.159 1.00 0.00 C ATOM 1653 C TYR A 108 -9.398 -11.684 0.206 1.00 0.00 C ATOM 1654 O TYR A 108 -8.700 -10.944 -0.487 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.827 -11.155 0.486 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.866 -10.428 -0.839 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.970 -9.043 -0.892 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.798 -11.126 -2.038 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.007 -8.375 -2.100 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.833 -10.466 -3.252 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.938 -9.091 -3.277 1.00 0.00 C ATOM 1662 OH TYR A 108 -11.973 -8.429 -4.483 1.00 0.00 O ATOM 0 H TYR A 108 -10.716 -9.050 1.175 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.480 -11.759 2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.128 -12.191 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.559 -10.708 1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.023 -8.479 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.716 -12.203 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.089 -7.298 -2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.778 -11.024 -4.175 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.913 -9.078 -5.215 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.279 -13.019 0.170 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.313 -13.705 -0.694 1.00 0.00 C ATOM 1674 C PRO A 109 -8.679 -13.599 -2.171 1.00 0.00 C ATOM 1675 O PRO A 109 -9.785 -13.199 -2.534 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.389 -15.160 -0.227 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.752 -15.299 0.360 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.078 -13.963 0.969 1.00 0.00 C ATOM 0 HA PRO A 109 -7.316 -13.270 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.243 -15.851 -1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.616 -15.380 0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.481 -15.568 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.774 -16.087 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.143 -13.742 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.807 -13.926 2.024 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.730 -13.967 -3.044 1.00 0.00 N ATOM 1687 CA PRO A 110 -7.930 -13.924 -4.496 1.00 0.00 C ATOM 1688 C PRO A 110 -8.920 -14.979 -4.976 1.00 0.00 C ATOM 1689 O PRO A 110 -9.914 -14.661 -5.629 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.534 -14.206 -5.055 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.845 -14.977 -3.983 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.388 -14.455 -2.682 1.00 0.00 C ATOM 0 HA PRO A 110 -8.350 -12.972 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.587 -14.777 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.004 -13.281 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.037 -16.045 -4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.765 -14.841 -4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.436 -15.237 -1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.765 -13.657 -2.278 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.642 -16.236 -4.649 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.509 -17.340 -5.046 1.00 0.00 C ATOM 1702 C ASP A 111 -8.870 -18.683 -4.706 1.00 0.00 C ATOM 1703 O ASP A 111 -9.458 -19.497 -3.995 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.807 -17.268 -6.545 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.284 -17.083 -6.833 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.051 -18.050 -6.640 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.673 -15.973 -7.252 1.00 0.00 O ATOM 0 H ASP A 111 -7.823 -16.516 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.444 -17.253 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.248 -16.442 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.457 -18.181 -7.026 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.664 -18.906 -5.219 1.00 0.00 N ATOM 1713 CA GLU A 112 -6.948 -20.151 -4.970 1.00 0.00 C ATOM 1714 C GLU A 112 -7.878 -21.352 -5.113 1.00 0.00 C ATOM 1715 O GLU A 112 -8.787 -21.350 -5.943 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.326 -20.137 -3.572 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.332 -21.262 -3.337 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.949 -21.406 -1.877 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -5.726 -20.951 -1.012 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.873 -21.976 -1.600 1.00 0.00 O ATOM 0 H GLU A 112 -7.163 -18.241 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.154 -20.238 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.824 -19.182 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.121 -20.205 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.760 -22.200 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.435 -21.078 -3.928 1.00 0.00 H new TER 1727 GLU A 112