USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 513 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 13 TYR OH : rot 176:sc= -1.33! USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= 0.223 F(o=-6.9!,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -2.97! C(o=-6.8!,f=-3!) USER MOD Single : A 20 SER OG : rot -89:sc= 0.615 USER MOD Single : A 24 ASN : amide:sc= 0.546 K(o=0.55,f=-5.7!) USER MOD Single : A 29 ASN : amide:sc= -4.25! C(o=-4.2!,f=-6.1!) USER MOD Single : A 31 THR OG1 : rot 142:sc= -1.3 USER MOD Single : A 32 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.419) USER MOD Single : A 33 GLN : amide:sc= -0.926 X(o=-0.93,f=-0.94) USER MOD Single : A 38 THR OG1 : rot 77:sc= -1.37! USER MOD Single : A 39 SER OG : rot -63:sc= 0.0804 USER MOD Single : A 57 THR OG1 : rot -65:sc= -3.77! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -162:sc= -3.75! (180deg=-5.97!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.240 -12.042 6.586 1.00 0.00 N ATOM 2 CA SER A 1 16.721 -10.746 6.073 1.00 0.00 C ATOM 3 C SER A 1 15.201 -10.769 5.953 1.00 0.00 C ATOM 4 O SER A 1 14.648 -11.425 5.071 1.00 0.00 O ATOM 5 CB SER A 1 17.354 -10.473 4.707 1.00 0.00 C ATOM 6 OG SER A 1 17.254 -9.103 4.362 1.00 0.00 O ATOM 0 H1 SER A 1 18.277 -11.997 6.657 1.00 0.00 H new ATOM 0 H2 SER A 1 16.836 -12.230 7.526 1.00 0.00 H new ATOM 0 H3 SER A 1 16.971 -12.806 5.934 1.00 0.00 H new ATOM 0 HA SER A 1 16.983 -9.954 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.402 -10.771 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.861 -11.079 3.947 1.00 0.00 H new ATOM 0 HG SER A 1 17.667 -8.955 3.486 1.00 0.00 H new ATOM 14 N ALA A 2 14.531 -10.048 6.847 1.00 0.00 N ATOM 15 CA ALA A 2 13.074 -9.987 6.842 1.00 0.00 C ATOM 16 C ALA A 2 12.559 -9.266 5.602 1.00 0.00 C ATOM 17 O ALA A 2 12.087 -8.132 5.682 1.00 0.00 O ATOM 18 CB ALA A 2 12.572 -9.298 8.102 1.00 0.00 C ATOM 0 H ALA A 2 14.974 -9.498 7.583 1.00 0.00 H new ATOM 0 HA ALA A 2 12.692 -11.008 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.483 -9.259 8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.902 -9.856 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.971 -8.285 8.146 1.00 0.00 H new ATOM 24 N ASP A 3 12.649 -9.932 4.455 1.00 0.00 N ATOM 25 CA ASP A 3 12.189 -9.354 3.198 1.00 0.00 C ATOM 26 C ASP A 3 10.775 -8.803 3.342 1.00 0.00 C ATOM 27 O ASP A 3 10.546 -7.604 3.186 1.00 0.00 O ATOM 28 CB ASP A 3 12.228 -10.403 2.084 1.00 0.00 C ATOM 29 CG ASP A 3 13.634 -10.655 1.577 1.00 0.00 C ATOM 30 OD1 ASP A 3 14.210 -9.744 0.945 1.00 0.00 O ATOM 31 OD2 ASP A 3 14.160 -11.763 1.810 1.00 0.00 O ATOM 0 H ASP A 3 13.036 -10.872 4.371 1.00 0.00 H new ATOM 0 HA ASP A 3 12.857 -8.533 2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.805 -11.337 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.600 -10.074 1.256 1.00 0.00 H new ATOM 36 N GLN A 4 9.830 -9.688 3.642 1.00 0.00 N ATOM 37 CA GLN A 4 8.437 -9.294 3.809 1.00 0.00 C ATOM 38 C GLN A 4 8.321 -8.079 4.722 1.00 0.00 C ATOM 39 O GLN A 4 9.097 -7.920 5.665 1.00 0.00 O ATOM 40 CB GLN A 4 7.624 -10.455 4.384 1.00 0.00 C ATOM 41 CG GLN A 4 7.955 -10.768 5.835 1.00 0.00 C ATOM 42 CD GLN A 4 6.739 -11.201 6.629 1.00 0.00 C ATOM 43 OE1 GLN A 4 5.950 -10.371 7.082 1.00 0.00 O ATOM 44 NE2 GLN A 4 6.580 -12.509 6.804 1.00 0.00 N ATOM 0 H GLN A 4 10.005 -10.684 3.774 1.00 0.00 H new ATOM 0 HA GLN A 4 8.040 -9.029 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.563 -10.219 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.799 -11.345 3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.707 -11.556 5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.394 -9.887 6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.258 -13.162 6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.780 -12.860 7.331 1.00 0.00 H new ATOM 53 N PRO A 5 7.341 -7.204 4.452 1.00 0.00 N ATOM 54 CA PRO A 5 7.116 -5.996 5.251 1.00 0.00 C ATOM 55 C PRO A 5 6.991 -6.303 6.739 1.00 0.00 C ATOM 56 O PRO A 5 7.006 -7.464 7.146 1.00 0.00 O ATOM 57 CB PRO A 5 5.794 -5.452 4.702 1.00 0.00 C ATOM 58 CG PRO A 5 5.721 -5.975 3.310 1.00 0.00 C ATOM 59 CD PRO A 5 6.375 -7.328 3.347 1.00 0.00 C ATOM 0 HA PRO A 5 7.946 -5.293 5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.947 -5.792 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.777 -4.362 4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.687 -6.049 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.235 -5.311 2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.650 -8.121 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.869 -7.562 2.404 1.00 0.00 H new ATOM 67 N LYS A 6 6.867 -5.255 7.546 1.00 0.00 N ATOM 68 CA LYS A 6 6.738 -5.412 8.990 1.00 0.00 C ATOM 69 C LYS A 6 5.774 -4.381 9.564 1.00 0.00 C ATOM 70 O LYS A 6 4.959 -3.807 8.841 1.00 0.00 O ATOM 71 CB LYS A 6 8.105 -5.276 9.663 1.00 0.00 C ATOM 72 CG LYS A 6 9.273 -5.567 8.735 1.00 0.00 C ATOM 73 CD LYS A 6 10.524 -5.940 9.514 1.00 0.00 C ATOM 74 CE LYS A 6 11.636 -4.926 9.302 1.00 0.00 C ATOM 75 NZ LYS A 6 12.689 -5.031 10.349 1.00 0.00 N ATOM 0 H LYS A 6 6.853 -4.287 7.224 1.00 0.00 H new ATOM 0 HA LYS A 6 6.340 -6.407 9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.208 -4.265 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.150 -5.955 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.008 -6.380 8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.475 -4.692 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.287 -6.004 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.866 -6.927 9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.084 -5.078 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.216 -3.920 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.429 -4.323 10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.267 -4.861 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.108 -5.983 10.326 1.00 0.00 H new ATOM 89 N GLU A 7 5.873 -4.151 10.868 1.00 0.00 N ATOM 90 CA GLU A 7 5.010 -3.188 11.543 1.00 0.00 C ATOM 91 C GLU A 7 4.938 -1.880 10.761 1.00 0.00 C ATOM 92 O GLU A 7 3.976 -1.123 10.893 1.00 0.00 O ATOM 93 CB GLU A 7 5.519 -2.921 12.961 1.00 0.00 C ATOM 94 CG GLU A 7 6.984 -2.527 13.019 1.00 0.00 C ATOM 95 CD GLU A 7 7.751 -3.288 14.084 1.00 0.00 C ATOM 96 OE1 GLU A 7 7.124 -3.708 15.080 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.976 -3.464 13.920 1.00 0.00 O ATOM 0 H GLU A 7 6.542 -4.618 11.480 1.00 0.00 H new ATOM 0 HA GLU A 7 4.008 -3.613 11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.920 -2.128 13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.368 -3.815 13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.444 -2.707 12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.061 -1.458 13.215 1.00 0.00 H new ATOM 104 N GLU A 8 5.962 -1.622 9.949 1.00 0.00 N ATOM 105 CA GLU A 8 6.016 -0.406 9.143 1.00 0.00 C ATOM 106 C GLU A 8 4.621 0.020 8.702 1.00 0.00 C ATOM 107 O GLU A 8 4.119 -0.429 7.671 1.00 0.00 O ATOM 108 CB GLU A 8 6.906 -0.622 7.917 1.00 0.00 C ATOM 109 CG GLU A 8 8.386 -0.720 8.248 1.00 0.00 C ATOM 110 CD GLU A 8 9.034 0.640 8.429 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.381 1.538 9.000 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.195 0.806 7.998 1.00 0.00 O ATOM 0 H GLU A 8 6.765 -2.240 9.833 1.00 0.00 H new ATOM 0 HA GLU A 8 6.440 0.388 9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.595 -1.535 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.752 0.200 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.513 -1.303 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.898 -1.259 7.451 1.00 0.00 H new ATOM 119 N LYS A 9 3.997 0.889 9.491 1.00 0.00 N ATOM 120 CA LYS A 9 2.658 1.376 9.185 1.00 0.00 C ATOM 121 C LYS A 9 2.676 2.870 8.887 1.00 0.00 C ATOM 122 O LYS A 9 3.051 3.681 9.734 1.00 0.00 O ATOM 123 CB LYS A 9 1.701 1.081 10.346 1.00 0.00 C ATOM 124 CG LYS A 9 1.602 2.204 11.368 1.00 0.00 C ATOM 125 CD LYS A 9 0.650 3.297 10.906 1.00 0.00 C ATOM 126 CE LYS A 9 1.200 4.682 11.212 1.00 0.00 C ATOM 127 NZ LYS A 9 0.340 5.420 12.178 1.00 0.00 N ATOM 0 H LYS A 9 4.398 1.270 10.348 1.00 0.00 H new ATOM 0 HA LYS A 9 2.305 0.853 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.708 0.882 9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.028 0.172 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.259 1.801 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.591 2.630 11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.478 3.202 9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.315 3.171 11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.207 4.591 11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.280 5.253 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.749 6.359 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.614 5.530 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.284 4.888 13.070 1.00 0.00 H new ATOM 141 N LYS A 10 2.251 3.226 7.681 1.00 0.00 N ATOM 142 CA LYS A 10 2.199 4.619 7.268 1.00 0.00 C ATOM 143 C LYS A 10 0.816 4.941 6.724 1.00 0.00 C ATOM 144 O LYS A 10 -0.159 4.270 7.063 1.00 0.00 O ATOM 145 CB LYS A 10 3.267 4.916 6.208 1.00 0.00 C ATOM 146 CG LYS A 10 4.169 6.079 6.573 1.00 0.00 C ATOM 147 CD LYS A 10 4.585 6.011 8.031 1.00 0.00 C ATOM 148 CE LYS A 10 6.001 6.526 8.232 1.00 0.00 C ATOM 149 NZ LYS A 10 6.016 7.906 8.789 1.00 0.00 N ATOM 0 H LYS A 10 1.937 2.565 6.971 1.00 0.00 H new ATOM 0 HA LYS A 10 2.400 5.246 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.877 4.025 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.777 5.130 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.055 6.069 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.651 7.019 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.894 6.599 8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.518 4.981 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.538 5.857 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.531 6.513 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.000 8.220 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.525 8.549 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.533 7.914 9.710 1.00 0.00 H new ATOM 163 N GLU A 11 0.727 5.957 5.881 1.00 0.00 N ATOM 164 CA GLU A 11 -0.549 6.337 5.302 1.00 0.00 C ATOM 165 C GLU A 11 -0.710 5.728 3.916 1.00 0.00 C ATOM 166 O GLU A 11 0.203 5.791 3.088 1.00 0.00 O ATOM 167 CB GLU A 11 -0.670 7.858 5.223 1.00 0.00 C ATOM 168 CG GLU A 11 -0.273 8.568 6.507 1.00 0.00 C ATOM 169 CD GLU A 11 0.283 9.956 6.256 1.00 0.00 C ATOM 170 OE1 GLU A 11 0.365 10.359 5.078 1.00 0.00 O ATOM 171 OE2 GLU A 11 0.638 10.639 7.239 1.00 0.00 O ATOM 0 H GLU A 11 1.518 6.529 5.585 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.342 5.956 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.044 8.222 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.699 8.120 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.142 8.641 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.472 7.971 7.033 1.00 0.00 H new ATOM 178 N CYS A 12 -1.878 5.147 3.661 1.00 0.00 N ATOM 179 CA CYS A 12 -2.156 4.547 2.370 1.00 0.00 C ATOM 180 C CYS A 12 -2.392 5.653 1.358 1.00 0.00 C ATOM 181 O CYS A 12 -2.549 6.812 1.735 1.00 0.00 O ATOM 182 CB CYS A 12 -3.370 3.620 2.454 1.00 0.00 C ATOM 183 SG CYS A 12 -3.606 2.562 0.988 1.00 0.00 S ATOM 0 H CYS A 12 -2.643 5.081 4.333 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.304 3.944 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.268 2.985 3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.265 4.225 2.600 1.00 0.00 H new ATOM 188 N TYR A 13 -2.392 5.313 0.084 1.00 0.00 N ATOM 189 CA TYR A 13 -2.584 6.315 -0.954 1.00 0.00 C ATOM 190 C TYR A 13 -3.253 5.702 -2.189 1.00 0.00 C ATOM 191 O TYR A 13 -2.869 4.620 -2.633 1.00 0.00 O ATOM 192 CB TYR A 13 -1.231 6.907 -1.348 1.00 0.00 C ATOM 193 CG TYR A 13 -0.728 8.045 -0.479 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.389 7.839 0.849 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.583 9.330 -0.997 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.075 8.874 1.636 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.125 10.368 -0.219 1.00 0.00 C ATOM 198 CZ TYR A 13 0.203 10.138 1.099 1.00 0.00 C ATOM 199 OH TYR A 13 0.656 11.172 1.884 1.00 0.00 O ATOM 0 H TYR A 13 -2.263 4.361 -0.258 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.233 7.098 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.489 6.109 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.297 7.262 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.490 6.852 1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.835 9.515 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.337 8.695 2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.023 11.358 -0.639 1.00 0.00 H new ATOM 0 HH TYR A 13 0.750 11.980 1.338 1.00 0.00 H new ATOM 209 N TYR A 14 -4.261 6.387 -2.738 1.00 0.00 N ATOM 210 CA TYR A 14 -4.970 5.877 -3.916 1.00 0.00 C ATOM 211 C TYR A 14 -4.745 6.744 -5.171 1.00 0.00 C ATOM 212 O TYR A 14 -4.190 6.264 -6.159 1.00 0.00 O ATOM 213 CB TYR A 14 -6.462 5.748 -3.617 1.00 0.00 C ATOM 214 CG TYR A 14 -6.772 4.806 -2.471 1.00 0.00 C ATOM 215 CD1 TYR A 14 -6.378 3.471 -2.506 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.460 5.255 -1.352 1.00 0.00 C ATOM 217 CE1 TYR A 14 -6.664 2.616 -1.459 1.00 0.00 C ATOM 218 CE2 TYR A 14 -7.749 4.404 -0.301 1.00 0.00 C ATOM 219 CZ TYR A 14 -7.349 3.087 -0.360 1.00 0.00 C ATOM 220 OH TYR A 14 -7.635 2.238 0.684 1.00 0.00 O ATOM 0 H TYR A 14 -4.601 7.284 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.556 4.893 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.864 6.734 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.975 5.398 -4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.840 3.098 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.775 6.287 -1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.352 1.583 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.286 4.770 0.562 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.121 2.727 1.380 1.00 0.00 H new ATOM 230 N ASN A 15 -5.166 8.015 -5.139 1.00 0.00 N ATOM 231 CA ASN A 15 -4.984 8.911 -6.293 1.00 0.00 C ATOM 232 C ASN A 15 -3.718 9.730 -6.095 1.00 0.00 C ATOM 233 O ASN A 15 -3.698 10.940 -6.287 1.00 0.00 O ATOM 234 CB ASN A 15 -6.192 9.838 -6.449 1.00 0.00 C ATOM 235 CG ASN A 15 -7.253 9.256 -7.364 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.711 9.913 -8.298 1.00 0.00 O ATOM 237 ND2 ASN A 15 -7.651 8.017 -7.097 1.00 0.00 N ATOM 0 H ASN A 15 -5.630 8.444 -4.338 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.894 8.313 -7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.628 10.031 -5.469 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.861 10.798 -6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.364 7.574 -7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.244 7.509 -6.312 1.00 0.00 H new ATOM 244 N LEU A 16 -2.712 9.032 -5.600 1.00 0.00 N ATOM 245 CA LEU A 16 -1.422 9.563 -5.197 1.00 0.00 C ATOM 246 C LEU A 16 -0.370 9.713 -6.285 1.00 0.00 C ATOM 247 O LEU A 16 -0.557 10.520 -7.179 1.00 0.00 O ATOM 248 CB LEU A 16 -0.935 8.624 -4.121 1.00 0.00 C ATOM 249 CG LEU A 16 -0.877 7.121 -4.503 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.738 6.889 -6.002 1.00 0.00 C ATOM 251 CD2 LEU A 16 0.260 6.428 -3.773 1.00 0.00 C ATOM 0 H LEU A 16 -2.777 8.024 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.568 10.593 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.063 8.939 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.583 8.732 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.832 6.693 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.703 5.818 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.592 7.327 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.180 7.355 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.284 5.375 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.206 6.898 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.107 6.513 -2.697 1.00 0.00 H new ATOM 263 N ASN A 17 0.756 8.991 -6.133 1.00 0.00 N ATOM 264 CA ASN A 17 1.895 9.041 -7.042 1.00 0.00 C ATOM 265 C ASN A 17 3.077 9.653 -6.327 1.00 0.00 C ATOM 266 O ASN A 17 3.923 10.299 -6.930 1.00 0.00 O ATOM 267 CB ASN A 17 1.570 9.851 -8.280 1.00 0.00 C ATOM 268 CG ASN A 17 0.457 9.220 -9.116 1.00 0.00 C ATOM 269 OD1 ASN A 17 0.060 7.987 -8.771 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -0.043 9.832 -10.060 1.00 0.00 N flip ATOM 0 H ASN A 17 0.893 8.346 -5.355 1.00 0.00 H new ATOM 0 HA ASN A 17 2.134 8.025 -7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.272 10.857 -7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.467 9.951 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.286 10.769 -10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.786 9.402 -10.610 1.00 0.00 H new ATOM 277 N ASP A 18 3.085 9.459 -5.023 1.00 0.00 N ATOM 278 CA ASP A 18 4.101 10.003 -4.143 1.00 0.00 C ATOM 279 C ASP A 18 5.532 9.797 -4.608 1.00 0.00 C ATOM 280 O ASP A 18 5.827 9.725 -5.799 1.00 0.00 O ATOM 281 CB ASP A 18 3.963 9.413 -2.771 1.00 0.00 C ATOM 282 CG ASP A 18 2.527 9.175 -2.366 1.00 0.00 C ATOM 283 OD1 ASP A 18 1.811 8.519 -3.134 1.00 0.00 O ATOM 284 OD2 ASP A 18 2.128 9.637 -1.276 1.00 0.00 O ATOM 0 H ASP A 18 2.375 8.911 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 18 3.923 11.078 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.506 8.468 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.432 10.080 -2.047 1.00 0.00 H new ATOM 289 N ALA A 19 6.428 9.750 -3.622 1.00 0.00 N ATOM 290 CA ALA A 19 7.834 9.613 -3.870 1.00 0.00 C ATOM 291 C ALA A 19 8.393 10.986 -4.240 1.00 0.00 C ATOM 292 O ALA A 19 9.468 11.100 -4.829 1.00 0.00 O ATOM 293 CB ALA A 19 8.077 8.571 -4.944 1.00 0.00 C ATOM 0 H ALA A 19 6.183 9.807 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 19 8.354 9.262 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.148 8.476 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.677 7.611 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.580 8.875 -5.865 1.00 0.00 H new ATOM 299 N SER A 20 7.621 12.022 -3.850 1.00 0.00 N ATOM 300 CA SER A 20 7.957 13.431 -4.076 1.00 0.00 C ATOM 301 C SER A 20 6.949 14.111 -5.012 1.00 0.00 C ATOM 302 O SER A 20 7.335 14.644 -6.049 1.00 0.00 O ATOM 303 CB SER A 20 9.371 13.588 -4.638 1.00 0.00 C ATOM 304 OG SER A 20 9.440 13.133 -5.978 1.00 0.00 O ATOM 0 H SER A 20 6.734 11.894 -3.362 1.00 0.00 H new ATOM 0 HA SER A 20 7.912 13.922 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.671 14.635 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.075 13.027 -4.023 1.00 0.00 H new ATOM 0 HG SER A 20 9.652 12.176 -5.988 1.00 0.00 H new ATOM 310 N LEU A 21 5.658 14.085 -4.637 1.00 0.00 N ATOM 311 CA LEU A 21 4.591 14.695 -5.454 1.00 0.00 C ATOM 312 C LEU A 21 3.203 14.266 -4.974 1.00 0.00 C ATOM 313 O LEU A 21 2.213 14.983 -5.107 1.00 0.00 O ATOM 314 CB LEU A 21 4.734 14.226 -6.896 1.00 0.00 C ATOM 315 CG LEU A 21 4.431 12.742 -7.099 1.00 0.00 C ATOM 316 CD1 LEU A 21 3.124 12.553 -7.851 1.00 0.00 C ATOM 317 CD2 LEU A 21 5.576 12.048 -7.816 1.00 0.00 C ATOM 0 H LEU A 21 5.328 13.650 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 21 4.689 15.777 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.065 14.812 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.750 14.429 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 21 4.322 12.283 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.931 11.488 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.309 13.002 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.193 13.033 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.336 10.993 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.728 12.511 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.486 12.142 -7.224 1.00 0.00 H new ATOM 329 N CYS A 22 3.185 13.060 -4.458 1.00 0.00 N ATOM 330 CA CYS A 22 2.003 12.364 -3.953 1.00 0.00 C ATOM 331 C CYS A 22 0.674 13.108 -4.010 1.00 0.00 C ATOM 332 O CYS A 22 0.572 14.276 -3.636 1.00 0.00 O ATOM 333 CB CYS A 22 2.221 11.973 -2.521 1.00 0.00 C ATOM 334 SG CYS A 22 2.305 13.391 -1.372 1.00 0.00 S ATOM 0 H CYS A 22 4.033 12.500 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 22 1.905 11.521 -4.637 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.413 11.312 -2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.147 11.403 -2.447 1.00 0.00 H new ATOM 339 N ASP A 23 -0.365 12.368 -4.424 1.00 0.00 N ATOM 340 CA ASP A 23 -1.727 12.903 -4.469 1.00 0.00 C ATOM 341 C ASP A 23 -2.732 12.031 -3.658 1.00 0.00 C ATOM 342 O ASP A 23 -3.125 10.914 -4.057 1.00 0.00 O ATOM 343 CB ASP A 23 -2.182 13.056 -5.915 1.00 0.00 C ATOM 344 CG ASP A 23 -3.637 13.467 -6.027 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.265 13.724 -4.978 1.00 0.00 O ATOM 346 OD2 ASP A 23 -4.151 13.531 -7.164 1.00 0.00 O ATOM 0 H ASP A 23 -0.285 11.399 -4.731 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.711 13.885 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.559 13.800 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.033 12.113 -6.441 1.00 0.00 H new ATOM 351 N ASN A 24 -3.145 12.545 -2.508 1.00 0.00 N ATOM 352 CA ASN A 24 -4.082 11.834 -1.645 1.00 0.00 C ATOM 353 C ASN A 24 -5.522 12.220 -1.963 1.00 0.00 C ATOM 354 O ASN A 24 -5.787 12.925 -2.937 1.00 0.00 O ATOM 355 CB ASN A 24 -3.775 12.130 -0.175 1.00 0.00 C ATOM 356 CG ASN A 24 -3.476 13.595 0.071 1.00 0.00 C ATOM 357 OD1 ASN A 24 -3.598 14.425 -0.830 1.00 0.00 O ATOM 358 ND2 ASN A 24 -3.082 13.922 1.296 1.00 0.00 N ATOM 0 H ASN A 24 -2.847 13.452 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.966 10.766 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.624 11.828 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.922 11.530 0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.867 14.894 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.994 13.202 2.013 1.00 0.00 H new ATOM 365 N VAL A 25 -6.450 11.750 -1.136 1.00 0.00 N ATOM 366 CA VAL A 25 -7.865 12.043 -1.326 1.00 0.00 C ATOM 367 C VAL A 25 -8.719 11.333 -0.282 1.00 0.00 C ATOM 368 O VAL A 25 -9.770 11.832 0.120 1.00 0.00 O ATOM 369 CB VAL A 25 -8.341 11.627 -2.731 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.225 10.122 -2.911 1.00 0.00 C ATOM 371 CG2 VAL A 25 -9.770 12.093 -2.970 1.00 0.00 C ATOM 0 H VAL A 25 -6.247 11.164 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.982 13.121 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.699 12.107 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.566 9.848 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.185 9.820 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.841 9.618 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.089 11.790 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.428 11.644 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.817 13.179 -2.888 1.00 0.00 H new ATOM 381 N LEU A 26 -8.260 10.165 0.152 1.00 0.00 N ATOM 382 CA LEU A 26 -8.978 9.380 1.149 1.00 0.00 C ATOM 383 C LEU A 26 -8.237 8.081 1.441 1.00 0.00 C ATOM 384 O LEU A 26 -8.646 7.008 0.996 1.00 0.00 O ATOM 385 CB LEU A 26 -10.394 9.073 0.661 1.00 0.00 C ATOM 386 CG LEU A 26 -10.469 8.272 -0.640 1.00 0.00 C ATOM 387 CD1 LEU A 26 -11.315 7.022 -0.452 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.029 9.132 -1.763 1.00 0.00 C ATOM 0 H LEU A 26 -7.391 9.740 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.038 9.963 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.919 8.521 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.926 10.014 0.522 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.459 7.964 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.356 6.466 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.872 6.396 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.324 7.307 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.075 8.546 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.031 9.470 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.383 9.996 -1.916 1.00 0.00 H new ATOM 400 N ALA A 27 -7.138 8.183 2.181 1.00 0.00 N ATOM 401 CA ALA A 27 -6.338 7.019 2.518 1.00 0.00 C ATOM 402 C ALA A 27 -5.964 7.013 3.999 1.00 0.00 C ATOM 403 O ALA A 27 -5.399 7.980 4.510 1.00 0.00 O ATOM 404 CB ALA A 27 -5.093 6.993 1.655 1.00 0.00 C ATOM 0 H ALA A 27 -6.784 9.062 2.557 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.929 6.124 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.493 6.119 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.379 6.944 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.510 7.897 1.830 1.00 0.00 H new ATOM 410 N PRO A 28 -6.279 5.917 4.707 1.00 0.00 N ATOM 411 CA PRO A 28 -5.978 5.775 6.138 1.00 0.00 C ATOM 412 C PRO A 28 -4.499 5.491 6.392 1.00 0.00 C ATOM 413 O PRO A 28 -3.658 5.743 5.534 1.00 0.00 O ATOM 414 CB PRO A 28 -6.833 4.574 6.544 1.00 0.00 C ATOM 415 CG PRO A 28 -6.916 3.749 5.309 1.00 0.00 C ATOM 416 CD PRO A 28 -6.954 4.724 4.163 1.00 0.00 C ATOM 0 HA PRO A 28 -6.190 6.684 6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.376 4.019 7.363 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.821 4.885 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.058 3.082 5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.807 3.122 5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.437 4.334 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.977 4.945 3.857 1.00 0.00 H new ATOM 424 N ASN A 29 -4.188 4.954 7.572 1.00 0.00 N ATOM 425 CA ASN A 29 -2.809 4.624 7.923 1.00 0.00 C ATOM 426 C ASN A 29 -2.720 3.190 8.428 1.00 0.00 C ATOM 427 O ASN A 29 -3.306 2.847 9.455 1.00 0.00 O ATOM 428 CB ASN A 29 -2.271 5.583 8.987 1.00 0.00 C ATOM 429 CG ASN A 29 -2.959 6.933 8.953 1.00 0.00 C ATOM 430 OD1 ASN A 29 -4.185 7.016 8.883 1.00 0.00 O ATOM 431 ND2 ASN A 29 -2.171 8.000 9.003 1.00 0.00 N ATOM 0 H ASN A 29 -4.871 4.739 8.298 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.199 4.726 7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.402 5.137 9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.200 5.721 8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.577 8.935 8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.159 7.885 9.061 1.00 0.00 H new ATOM 438 N VAL A 30 -1.993 2.354 7.698 1.00 0.00 N ATOM 439 CA VAL A 30 -1.842 0.954 8.074 1.00 0.00 C ATOM 440 C VAL A 30 -0.506 0.394 7.602 1.00 0.00 C ATOM 441 O VAL A 30 0.446 1.138 7.364 1.00 0.00 O ATOM 442 CB VAL A 30 -2.982 0.097 7.489 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.319 0.798 7.666 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.727 -0.207 6.019 1.00 0.00 C ATOM 0 H VAL A 30 -1.500 2.619 6.845 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.881 0.911 9.162 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.014 -0.848 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.113 0.179 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.507 0.960 8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.298 1.758 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.543 -0.813 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.666 0.727 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.789 -0.753 5.918 1.00 0.00 H new ATOM 454 N THR A 31 -0.450 -0.926 7.457 1.00 0.00 N ATOM 455 CA THR A 31 0.760 -1.595 7.001 1.00 0.00 C ATOM 456 C THR A 31 0.674 -1.883 5.506 1.00 0.00 C ATOM 457 O THR A 31 -0.286 -2.493 5.037 1.00 0.00 O ATOM 458 CB THR A 31 0.975 -2.895 7.775 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.264 -3.450 8.179 1.00 0.00 O ATOM 460 CG2 THR A 31 1.825 -2.719 9.016 1.00 0.00 C ATOM 0 H THR A 31 -1.231 -1.553 7.649 1.00 0.00 H new ATOM 0 HA THR A 31 1.609 -0.936 7.184 1.00 0.00 H new ATOM 0 HB THR A 31 1.498 -3.558 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.226 -4.426 8.100 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.938 -3.680 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.807 -2.339 8.734 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.342 -2.012 9.690 1.00 0.00 H new ATOM 468 N LYS A 32 1.681 -1.429 4.768 1.00 0.00 N ATOM 469 CA LYS A 32 1.733 -1.622 3.321 1.00 0.00 C ATOM 470 C LYS A 32 1.035 -2.913 2.897 1.00 0.00 C ATOM 471 O LYS A 32 0.384 -2.964 1.855 1.00 0.00 O ATOM 472 CB LYS A 32 3.186 -1.646 2.853 1.00 0.00 C ATOM 473 CG LYS A 32 4.126 -2.342 3.821 1.00 0.00 C ATOM 474 CD LYS A 32 5.572 -1.934 3.585 1.00 0.00 C ATOM 475 CE LYS A 32 6.292 -1.648 4.892 1.00 0.00 C ATOM 476 NZ LYS A 32 7.743 -1.974 4.810 1.00 0.00 N ATOM 0 H LYS A 32 2.478 -0.921 5.150 1.00 0.00 H new ATOM 0 HA LYS A 32 1.207 -0.788 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.239 -2.146 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.527 -0.622 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.841 -2.099 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.029 -3.422 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.092 -2.728 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.602 -1.048 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.170 -0.596 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.834 -2.228 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.947 -2.800 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.995 -2.189 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.301 -1.161 5.141 1.00 0.00 H new ATOM 490 N GLN A 33 1.182 -3.953 3.706 1.00 0.00 N ATOM 491 CA GLN A 33 0.574 -5.245 3.406 1.00 0.00 C ATOM 492 C GLN A 33 -0.944 -5.134 3.277 1.00 0.00 C ATOM 493 O GLN A 33 -1.544 -5.738 2.391 1.00 0.00 O ATOM 494 CB GLN A 33 0.930 -6.261 4.493 1.00 0.00 C ATOM 495 CG GLN A 33 2.375 -6.727 4.436 1.00 0.00 C ATOM 496 CD GLN A 33 2.525 -8.085 3.780 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.429 -8.852 4.111 1.00 0.00 O ATOM 498 NE2 GLN A 33 1.634 -8.389 2.842 1.00 0.00 N ATOM 0 H GLN A 33 1.716 -3.929 4.575 1.00 0.00 H new ATOM 0 HA GLN A 33 0.970 -5.583 2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.737 -5.818 5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.273 -7.126 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.967 -5.995 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.779 -6.770 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.901 -7.722 2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.683 -9.289 2.365 1.00 0.00 H new ATOM 507 N GLU A 34 -1.560 -4.370 4.172 1.00 0.00 N ATOM 508 CA GLU A 34 -3.010 -4.199 4.161 1.00 0.00 C ATOM 509 C GLU A 34 -3.451 -3.163 3.130 1.00 0.00 C ATOM 510 O GLU A 34 -4.379 -3.401 2.356 1.00 0.00 O ATOM 511 CB GLU A 34 -3.502 -3.790 5.549 1.00 0.00 C ATOM 512 CG GLU A 34 -2.723 -4.430 6.686 1.00 0.00 C ATOM 513 CD GLU A 34 -2.721 -5.944 6.613 1.00 0.00 C ATOM 514 OE1 GLU A 34 -2.513 -6.485 5.505 1.00 0.00 O ATOM 515 OE2 GLU A 34 -2.926 -6.590 7.662 1.00 0.00 O ATOM 0 H GLU A 34 -1.080 -3.860 4.913 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.451 -5.156 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.439 -2.706 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.554 -4.058 5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.695 -4.068 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.153 -4.117 7.637 1.00 0.00 H new ATOM 522 N CYS A 35 -2.795 -2.008 3.132 1.00 0.00 N ATOM 523 CA CYS A 35 -3.135 -0.931 2.206 1.00 0.00 C ATOM 524 C CYS A 35 -3.043 -1.392 0.751 1.00 0.00 C ATOM 525 O CYS A 35 -3.954 -1.148 -0.041 1.00 0.00 O ATOM 526 CB CYS A 35 -2.220 0.276 2.446 1.00 0.00 C ATOM 527 SG CYS A 35 -1.975 1.351 0.990 1.00 0.00 S ATOM 0 H CYS A 35 -2.024 -1.792 3.764 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.168 -0.639 2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.636 0.875 3.256 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.248 -0.084 2.782 1.00 0.00 H new ATOM 532 N CYS A 36 -1.943 -2.048 0.401 1.00 0.00 N ATOM 533 CA CYS A 36 -1.745 -2.524 -0.965 1.00 0.00 C ATOM 534 C CYS A 36 -2.580 -3.768 -1.246 1.00 0.00 C ATOM 535 O CYS A 36 -3.366 -3.785 -2.193 1.00 0.00 O ATOM 536 CB CYS A 36 -0.265 -2.803 -1.222 1.00 0.00 C ATOM 537 SG CYS A 36 0.860 -1.586 -0.464 1.00 0.00 S ATOM 0 H CYS A 36 -1.177 -2.262 1.040 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.078 -1.740 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.021 -3.795 -0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.091 -2.823 -2.298 1.00 0.00 H new ATOM 542 N CYS A 37 -2.426 -4.804 -0.429 1.00 0.00 N ATOM 543 CA CYS A 37 -3.200 -6.020 -0.632 1.00 0.00 C ATOM 544 C CYS A 37 -4.647 -5.653 -0.930 1.00 0.00 C ATOM 545 O CYS A 37 -5.354 -6.372 -1.637 1.00 0.00 O ATOM 546 CB CYS A 37 -3.120 -6.933 0.592 1.00 0.00 C ATOM 547 SG CYS A 37 -3.817 -8.599 0.337 1.00 0.00 S ATOM 0 H CYS A 37 -1.785 -4.827 0.364 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.783 -6.565 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.076 -7.031 0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.644 -6.456 1.420 1.00 0.00 H new ATOM 552 N THR A 38 -5.074 -4.508 -0.403 1.00 0.00 N ATOM 553 CA THR A 38 -6.427 -4.024 -0.632 1.00 0.00 C ATOM 554 C THR A 38 -6.618 -3.713 -2.110 1.00 0.00 C ATOM 555 O THR A 38 -7.636 -4.075 -2.701 1.00 0.00 O ATOM 556 CB THR A 38 -6.692 -2.768 0.201 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.814 -3.092 1.574 1.00 0.00 O ATOM 558 CG2 THR A 38 -7.948 -2.030 -0.212 1.00 0.00 C ATOM 0 H THR A 38 -4.502 -3.901 0.184 1.00 0.00 H new ATOM 0 HA THR A 38 -7.133 -4.798 -0.331 1.00 0.00 H new ATOM 0 HB THR A 38 -5.834 -2.119 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.924 -3.246 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.077 -1.150 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.862 -1.721 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.810 -2.687 -0.098 1.00 0.00 H new ATOM 566 N SER A 39 -5.614 -3.039 -2.684 1.00 0.00 N ATOM 567 CA SER A 39 -5.606 -2.649 -4.095 1.00 0.00 C ATOM 568 C SER A 39 -5.763 -1.146 -4.222 1.00 0.00 C ATOM 569 O SER A 39 -6.740 -0.655 -4.789 1.00 0.00 O ATOM 570 CB SER A 39 -6.697 -3.365 -4.887 1.00 0.00 C ATOM 571 OG SER A 39 -6.595 -3.080 -6.271 1.00 0.00 O ATOM 0 H SER A 39 -4.779 -2.748 -2.176 1.00 0.00 H new ATOM 0 HA SER A 39 -4.646 -2.947 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.620 -4.441 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.677 -3.058 -4.521 1.00 0.00 H new ATOM 0 HG SER A 39 -6.743 -2.123 -6.420 1.00 0.00 H new ATOM 577 N GLY A 40 -4.798 -0.419 -3.674 1.00 0.00 N ATOM 578 CA GLY A 40 -4.850 1.023 -3.718 1.00 0.00 C ATOM 579 C GLY A 40 -4.006 1.630 -4.822 1.00 0.00 C ATOM 580 O GLY A 40 -4.343 1.526 -6.002 1.00 0.00 O ATOM 0 H GLY A 40 -3.981 -0.805 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.886 1.337 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.517 1.419 -2.759 1.00 0.00 H new ATOM 584 N ALA A 41 -2.919 2.288 -4.433 1.00 0.00 N ATOM 585 CA ALA A 41 -2.035 2.946 -5.382 1.00 0.00 C ATOM 586 C ALA A 41 -0.605 3.031 -4.847 1.00 0.00 C ATOM 587 O ALA A 41 0.359 2.883 -5.597 1.00 0.00 O ATOM 588 CB ALA A 41 -2.583 4.321 -5.701 1.00 0.00 C ATOM 0 H ALA A 41 -2.630 2.379 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.995 2.355 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.924 4.819 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.578 4.224 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.641 4.911 -4.786 1.00 0.00 H new ATOM 594 N GLY A 42 -0.479 3.276 -3.540 1.00 0.00 N ATOM 595 CA GLY A 42 0.826 3.382 -2.914 1.00 0.00 C ATOM 596 C GLY A 42 0.743 3.507 -1.411 1.00 0.00 C ATOM 597 O GLY A 42 -0.177 4.123 -0.875 1.00 0.00 O ATOM 0 H GLY A 42 -1.266 3.403 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.419 2.504 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.349 4.249 -3.318 1.00 0.00 H new ATOM 601 N TRP A 43 1.716 2.919 -0.734 1.00 0.00 N ATOM 602 CA TRP A 43 1.775 2.961 0.720 1.00 0.00 C ATOM 603 C TRP A 43 3.121 3.504 1.175 1.00 0.00 C ATOM 604 O TRP A 43 4.174 3.038 0.736 1.00 0.00 O ATOM 605 CB TRP A 43 1.542 1.572 1.314 1.00 0.00 C ATOM 606 CG TRP A 43 1.723 1.528 2.802 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.738 1.514 3.747 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.965 1.494 3.515 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.291 1.472 5.004 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.655 1.458 4.888 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.309 1.488 3.129 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.640 1.418 5.870 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.282 1.446 4.108 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.943 1.412 5.462 1.00 0.00 C ATOM 0 H TRP A 43 2.481 2.404 -1.170 1.00 0.00 H new ATOM 0 HA TRP A 43 0.985 3.623 1.075 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.532 1.243 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.230 0.865 0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.321 1.533 3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.770 1.454 5.881 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.581 1.516 2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.383 1.393 6.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.323 1.439 3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.728 1.380 6.203 1.00 0.00 H new ATOM 625 N GLY A 44 3.076 4.532 2.016 1.00 0.00 N ATOM 626 CA GLY A 44 4.288 5.163 2.491 1.00 0.00 C ATOM 627 C GLY A 44 3.997 6.465 3.186 1.00 0.00 C ATOM 628 O GLY A 44 2.921 6.646 3.759 1.00 0.00 O ATOM 0 H GLY A 44 2.214 4.940 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.804 4.491 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.960 5.340 1.651 1.00 0.00 H new ATOM 632 N ASP A 45 4.947 7.379 3.133 1.00 0.00 N ATOM 633 CA ASP A 45 4.765 8.674 3.759 1.00 0.00 C ATOM 634 C ASP A 45 4.377 9.715 2.713 1.00 0.00 C ATOM 635 O ASP A 45 4.385 9.434 1.515 1.00 0.00 O ATOM 636 CB ASP A 45 6.018 9.089 4.534 1.00 0.00 C ATOM 637 CG ASP A 45 7.305 8.618 3.886 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.333 7.486 3.360 1.00 0.00 O ATOM 639 OD2 ASP A 45 8.292 9.382 3.916 1.00 0.00 O ATOM 0 H ASP A 45 5.845 7.251 2.667 1.00 0.00 H new ATOM 0 HA ASP A 45 3.951 8.603 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.040 10.175 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.961 8.688 5.546 1.00 0.00 H new ATOM 644 N ASN A 46 4.004 10.901 3.170 1.00 0.00 N ATOM 645 CA ASN A 46 3.575 11.968 2.270 1.00 0.00 C ATOM 646 C ASN A 46 4.618 12.277 1.203 1.00 0.00 C ATOM 647 O ASN A 46 5.673 12.840 1.493 1.00 0.00 O ATOM 648 CB ASN A 46 3.244 13.234 3.057 1.00 0.00 C ATOM 649 CG ASN A 46 1.760 13.557 3.045 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.158 13.590 1.855 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 1.156 13.774 4.094 1.00 0.00 N flip ATOM 0 H ASN A 46 3.989 11.152 4.159 1.00 0.00 H new ATOM 0 HA ASN A 46 2.678 11.613 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.578 13.115 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.798 14.074 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.652 13.739 4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.159 13.989 4.073 1.00 0.00 H new ATOM 658 N CYS A 47 4.299 11.921 -0.037 1.00 0.00 N ATOM 659 CA CYS A 47 5.190 12.176 -1.160 1.00 0.00 C ATOM 660 C CYS A 47 6.521 11.456 -0.973 1.00 0.00 C ATOM 661 O CYS A 47 7.567 11.899 -1.445 1.00 0.00 O ATOM 662 CB CYS A 47 5.361 13.679 -1.339 1.00 0.00 C ATOM 663 SG CYS A 47 3.883 14.499 -2.039 1.00 0.00 S ATOM 0 H CYS A 47 3.428 11.454 -0.289 1.00 0.00 H new ATOM 0 HA CYS A 47 4.751 11.776 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.594 14.128 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.214 13.865 -1.991 1.00 0.00 H new ATOM 668 N GLU A 48 6.442 10.315 -0.297 1.00 0.00 N ATOM 669 CA GLU A 48 7.590 9.456 -0.043 1.00 0.00 C ATOM 670 C GLU A 48 7.085 8.022 0.079 1.00 0.00 C ATOM 671 O GLU A 48 7.471 7.261 0.969 1.00 0.00 O ATOM 672 CB GLU A 48 8.326 9.891 1.221 1.00 0.00 C ATOM 673 CG GLU A 48 9.410 8.921 1.647 1.00 0.00 C ATOM 674 CD GLU A 48 10.448 9.562 2.547 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.532 10.808 2.563 1.00 0.00 O ATOM 676 OE2 GLU A 48 11.178 8.818 3.236 1.00 0.00 O ATOM 0 H GLU A 48 5.570 9.958 0.093 1.00 0.00 H new ATOM 0 HA GLU A 48 8.303 9.529 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.771 10.872 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.607 10.001 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.954 8.079 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.902 8.520 0.761 1.00 0.00 H new ATOM 683 N ILE A 49 6.142 7.716 -0.796 1.00 0.00 N ATOM 684 CA ILE A 49 5.451 6.447 -0.836 1.00 0.00 C ATOM 685 C ILE A 49 6.103 5.390 -1.723 1.00 0.00 C ATOM 686 O ILE A 49 7.186 5.587 -2.274 1.00 0.00 O ATOM 687 CB ILE A 49 4.023 6.725 -1.323 1.00 0.00 C ATOM 688 CG1 ILE A 49 3.034 6.105 -0.404 1.00 0.00 C ATOM 689 CG2 ILE A 49 3.777 6.278 -2.762 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.234 7.134 0.349 1.00 0.00 C ATOM 0 H ILE A 49 5.830 8.366 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 49 5.480 6.024 0.168 1.00 0.00 H new ATOM 0 HB ILE A 49 3.897 7.808 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.358 5.469 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.554 5.461 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.748 6.504 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.459 6.806 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.948 5.205 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.525 6.633 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.906 7.754 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.691 7.762 -0.358 1.00 0.00 H new ATOM 702 N PHE A 50 5.397 4.263 -1.850 1.00 0.00 N ATOM 703 CA PHE A 50 5.845 3.143 -2.665 1.00 0.00 C ATOM 704 C PHE A 50 4.670 2.582 -3.474 1.00 0.00 C ATOM 705 O PHE A 50 3.831 1.850 -2.948 1.00 0.00 O ATOM 706 CB PHE A 50 6.453 2.061 -1.767 1.00 0.00 C ATOM 707 CG PHE A 50 6.361 0.669 -2.322 1.00 0.00 C ATOM 708 CD1 PHE A 50 7.141 0.286 -3.400 1.00 0.00 C ATOM 709 CD2 PHE A 50 5.501 -0.258 -1.757 1.00 0.00 C ATOM 710 CE1 PHE A 50 7.066 -0.998 -3.904 1.00 0.00 C ATOM 711 CE2 PHE A 50 5.420 -1.542 -2.259 1.00 0.00 C ATOM 712 CZ PHE A 50 6.203 -1.912 -3.333 1.00 0.00 C ATOM 0 H PHE A 50 4.501 4.107 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 50 6.609 3.485 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.502 2.300 -1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.953 2.087 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.815 0.999 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.887 0.026 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.681 -1.286 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.744 -2.256 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.141 -2.916 -3.727 1.00 0.00 H new ATOM 722 N PRO A 51 4.593 2.945 -4.765 1.00 0.00 N ATOM 723 CA PRO A 51 3.520 2.514 -5.670 1.00 0.00 C ATOM 724 C PRO A 51 3.054 1.077 -5.440 1.00 0.00 C ATOM 725 O PRO A 51 3.759 0.123 -5.769 1.00 0.00 O ATOM 726 CB PRO A 51 4.176 2.653 -7.039 1.00 0.00 C ATOM 727 CG PRO A 51 5.102 3.813 -6.892 1.00 0.00 C ATOM 728 CD PRO A 51 5.553 3.831 -5.449 1.00 0.00 C ATOM 0 HA PRO A 51 2.613 3.103 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.715 1.747 -7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.435 2.833 -7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.956 3.714 -7.563 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.599 4.745 -7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.575 3.468 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.530 4.839 -5.036 1.00 0.00 H new ATOM 736 N CYS A 52 1.847 0.935 -4.890 1.00 0.00 N ATOM 737 CA CYS A 52 1.264 -0.378 -4.634 1.00 0.00 C ATOM 738 C CYS A 52 -0.256 -0.335 -4.671 1.00 0.00 C ATOM 739 O CYS A 52 -0.894 0.602 -4.161 1.00 0.00 O ATOM 740 CB CYS A 52 1.722 -0.929 -3.292 1.00 0.00 C ATOM 741 SG CYS A 52 0.980 -0.105 -1.847 1.00 0.00 S ATOM 0 H CYS A 52 1.254 1.718 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 52 1.612 -1.037 -5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.485 -1.992 -3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.807 -0.841 -3.228 1.00 0.00 H new ATOM 746 N PRO A 53 -0.864 -1.367 -5.260 1.00 0.00 N ATOM 747 CA PRO A 53 -0.165 -2.491 -5.871 1.00 0.00 C ATOM 748 C PRO A 53 0.068 -2.274 -7.361 1.00 0.00 C ATOM 749 O PRO A 53 -0.040 -1.154 -7.859 1.00 0.00 O ATOM 750 CB PRO A 53 -1.146 -3.648 -5.656 1.00 0.00 C ATOM 751 CG PRO A 53 -2.482 -3.020 -5.377 1.00 0.00 C ATOM 752 CD PRO A 53 -2.296 -1.522 -5.400 1.00 0.00 C ATOM 0 HA PRO A 53 0.824 -2.653 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.193 -4.287 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.830 -4.276 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.213 -3.327 -6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.862 -3.344 -4.408 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.660 -1.085 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.835 -1.036 -4.587 1.00 0.00 H new ATOM 760 N VAL A 54 0.375 -3.354 -8.069 1.00 0.00 N ATOM 761 CA VAL A 54 0.609 -3.284 -9.502 1.00 0.00 C ATOM 762 C VAL A 54 -0.445 -4.087 -10.264 1.00 0.00 C ATOM 763 O VAL A 54 -0.398 -4.187 -11.490 1.00 0.00 O ATOM 764 CB VAL A 54 2.010 -3.808 -9.865 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.994 -2.656 -9.997 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.490 -4.812 -8.828 1.00 0.00 C ATOM 0 H VAL A 54 0.467 -4.289 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 54 0.541 -2.235 -9.791 1.00 0.00 H new ATOM 0 HB VAL A 54 1.949 -4.315 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.979 -3.046 -10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.657 -1.977 -10.781 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.053 -2.117 -9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.482 -5.171 -9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.535 -4.332 -7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.798 -5.653 -8.788 1.00 0.00 H new ATOM 776 N LEU A 55 -1.399 -4.653 -9.524 1.00 0.00 N ATOM 777 CA LEU A 55 -2.472 -5.443 -10.119 1.00 0.00 C ATOM 778 C LEU A 55 -1.916 -6.584 -10.965 1.00 0.00 C ATOM 779 O LEU A 55 -1.144 -6.360 -11.897 1.00 0.00 O ATOM 780 CB LEU A 55 -3.381 -4.555 -10.970 1.00 0.00 C ATOM 781 CG LEU A 55 -4.770 -4.294 -10.381 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.715 -4.296 -8.861 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.326 -2.974 -10.894 1.00 0.00 C ATOM 0 H LEU A 55 -1.448 -4.577 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.056 -5.875 -9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.884 -3.598 -11.127 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.500 -5.017 -11.950 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.436 -5.096 -10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.711 -4.109 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.359 -5.265 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.035 -3.515 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.314 -2.804 -10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.660 -2.161 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.403 -3.009 -11.981 1.00 0.00 H new ATOM 795 N GLY A 56 -2.315 -7.809 -10.631 1.00 0.00 N ATOM 796 CA GLY A 56 -1.847 -8.967 -11.369 1.00 0.00 C ATOM 797 C GLY A 56 -0.403 -8.827 -11.807 1.00 0.00 C ATOM 798 O GLY A 56 -0.093 -8.926 -12.994 1.00 0.00 O ATOM 0 H GLY A 56 -2.953 -8.019 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.951 -9.857 -10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.477 -9.115 -12.246 1.00 0.00 H new ATOM 802 N THR A 57 0.481 -8.594 -10.843 1.00 0.00 N ATOM 803 CA THR A 57 1.902 -8.435 -11.130 1.00 0.00 C ATOM 804 C THR A 57 2.749 -9.045 -10.022 1.00 0.00 C ATOM 805 O THR A 57 2.289 -9.910 -9.280 1.00 0.00 O ATOM 806 CB THR A 57 2.246 -6.956 -11.295 1.00 0.00 C ATOM 807 OG1 THR A 57 1.078 -6.160 -11.207 1.00 0.00 O ATOM 808 CG2 THR A 57 2.919 -6.641 -12.613 1.00 0.00 C ATOM 0 H THR A 57 0.239 -8.511 -9.856 1.00 0.00 H new ATOM 0 HA THR A 57 2.122 -8.958 -12.061 1.00 0.00 H new ATOM 0 HB THR A 57 2.943 -6.728 -10.488 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.488 -6.361 -11.963 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.136 -5.574 -12.665 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.849 -7.204 -12.691 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.258 -6.917 -13.434 1.00 0.00 H new ATOM 816 N ALA A 58 3.990 -8.590 -9.928 1.00 0.00 N ATOM 817 CA ALA A 58 4.920 -9.084 -8.919 1.00 0.00 C ATOM 818 C ALA A 58 4.608 -8.512 -7.540 1.00 0.00 C ATOM 819 O ALA A 58 4.304 -9.250 -6.602 1.00 0.00 O ATOM 820 CB ALA A 58 6.342 -8.736 -9.317 1.00 0.00 C ATOM 0 H ALA A 58 4.380 -7.875 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 58 4.811 -10.167 -8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.033 -9.107 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.574 -9.197 -10.277 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.442 -7.654 -9.400 1.00 0.00 H new ATOM 826 N GLU A 59 4.698 -7.194 -7.417 1.00 0.00 N ATOM 827 CA GLU A 59 4.435 -6.533 -6.146 1.00 0.00 C ATOM 828 C GLU A 59 3.167 -7.082 -5.501 1.00 0.00 C ATOM 829 O GLU A 59 3.236 -7.936 -4.619 1.00 0.00 O ATOM 830 CB GLU A 59 4.322 -5.019 -6.339 1.00 0.00 C ATOM 831 CG GLU A 59 5.205 -4.227 -5.393 1.00 0.00 C ATOM 832 CD GLU A 59 6.333 -3.510 -6.109 1.00 0.00 C ATOM 833 OE1 GLU A 59 7.295 -4.187 -6.530 1.00 0.00 O ATOM 834 OE2 GLU A 59 6.257 -2.270 -6.247 1.00 0.00 O ATOM 0 H GLU A 59 4.950 -6.564 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 59 5.274 -6.736 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.587 -4.770 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.284 -4.718 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.596 -3.497 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.624 -4.900 -4.645 1.00 0.00 H new ATOM 841 N PHE A 60 2.014 -6.588 -5.938 1.00 0.00 N ATOM 842 CA PHE A 60 0.739 -7.031 -5.395 1.00 0.00 C ATOM 843 C PHE A 60 0.778 -8.489 -4.953 1.00 0.00 C ATOM 844 O PHE A 60 0.853 -8.776 -3.762 1.00 0.00 O ATOM 845 CB PHE A 60 -0.366 -6.841 -6.421 1.00 0.00 C ATOM 846 CG PHE A 60 -1.733 -7.027 -5.841 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.061 -6.456 -4.623 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.687 -7.772 -6.509 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.317 -6.625 -4.081 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.947 -7.945 -5.973 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.262 -7.370 -4.755 1.00 0.00 C ATOM 0 H PHE A 60 1.938 -5.880 -6.668 1.00 0.00 H new ATOM 0 HA PHE A 60 0.536 -6.420 -4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.291 -5.841 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.223 -7.549 -7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.324 -5.872 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.444 -8.223 -7.460 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.561 -6.175 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.685 -8.528 -6.503 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.247 -7.504 -4.332 1.00 0.00 H new ATOM 861 N THR A 61 0.711 -9.407 -5.917 1.00 0.00 N ATOM 862 CA THR A 61 0.722 -10.836 -5.620 1.00 0.00 C ATOM 863 C THR A 61 1.569 -11.142 -4.390 1.00 0.00 C ATOM 864 O THR A 61 1.254 -12.052 -3.623 1.00 0.00 O ATOM 865 CB THR A 61 1.233 -11.628 -6.823 1.00 0.00 C ATOM 866 OG1 THR A 61 0.894 -12.998 -6.702 1.00 0.00 O ATOM 867 CG2 THR A 61 2.730 -11.540 -7.001 1.00 0.00 C ATOM 0 H THR A 61 0.649 -9.185 -6.910 1.00 0.00 H new ATOM 0 HA THR A 61 -0.303 -11.138 -5.406 1.00 0.00 H new ATOM 0 HB THR A 61 0.752 -11.178 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.228 -13.488 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.028 -12.124 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.019 -10.499 -7.146 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.226 -11.934 -6.114 1.00 0.00 H new ATOM 875 N GLU A 62 2.637 -10.372 -4.192 1.00 0.00 N ATOM 876 CA GLU A 62 3.503 -10.566 -3.041 1.00 0.00 C ATOM 877 C GLU A 62 2.850 -9.971 -1.803 1.00 0.00 C ATOM 878 O GLU A 62 2.638 -10.651 -0.799 1.00 0.00 O ATOM 879 CB GLU A 62 4.868 -9.918 -3.309 1.00 0.00 C ATOM 880 CG GLU A 62 5.114 -8.616 -2.562 1.00 0.00 C ATOM 881 CD GLU A 62 6.571 -8.197 -2.581 1.00 0.00 C ATOM 882 OE1 GLU A 62 7.072 -7.840 -3.668 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.211 -8.229 -1.509 1.00 0.00 O ATOM 0 H GLU A 62 2.919 -9.613 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 62 3.656 -11.632 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.650 -10.628 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.961 -9.730 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.507 -7.827 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.786 -8.727 -1.529 1.00 0.00 H new ATOM 890 N MET A 63 2.531 -8.690 -1.900 1.00 0.00 N ATOM 891 CA MET A 63 1.893 -7.966 -0.807 1.00 0.00 C ATOM 892 C MET A 63 0.447 -8.417 -0.618 1.00 0.00 C ATOM 893 O MET A 63 -0.222 -8.005 0.330 1.00 0.00 O ATOM 894 CB MET A 63 1.941 -6.458 -1.072 1.00 0.00 C ATOM 895 CG MET A 63 0.854 -5.961 -2.012 1.00 0.00 C ATOM 896 SD MET A 63 1.428 -4.622 -3.076 1.00 0.00 S ATOM 897 CE MET A 63 2.757 -3.946 -2.083 1.00 0.00 C ATOM 0 H MET A 63 2.705 -8.125 -2.731 1.00 0.00 H new ATOM 0 HA MET A 63 2.441 -8.187 0.109 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.856 -5.930 -0.122 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.914 -6.204 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.505 -6.788 -2.630 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.001 -5.617 -1.427 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.999 -2.943 -2.433 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.445 -3.901 -1.040 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.637 -4.583 -2.171 1.00 0.00 H new ATOM 907 N CYS A 64 -0.033 -9.263 -1.526 1.00 0.00 N ATOM 908 CA CYS A 64 -1.401 -9.763 -1.454 1.00 0.00 C ATOM 909 C CYS A 64 -1.478 -11.213 -1.922 1.00 0.00 C ATOM 910 O CYS A 64 -1.908 -11.492 -3.042 1.00 0.00 O ATOM 911 CB CYS A 64 -2.323 -8.892 -2.308 1.00 0.00 C ATOM 912 SG CYS A 64 -4.030 -8.755 -1.678 1.00 0.00 S ATOM 0 H CYS A 64 0.505 -9.615 -2.318 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.725 -9.720 -0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.894 -7.892 -2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.354 -9.299 -3.319 1.00 0.00 H new ATOM 917 N PRO A 65 -1.063 -12.156 -1.065 1.00 0.00 N ATOM 918 CA PRO A 65 -1.084 -13.585 -1.388 1.00 0.00 C ATOM 919 C PRO A 65 -2.494 -14.166 -1.357 1.00 0.00 C ATOM 920 O PRO A 65 -2.783 -15.076 -0.579 1.00 0.00 O ATOM 921 CB PRO A 65 -0.225 -14.203 -0.285 1.00 0.00 C ATOM 922 CG PRO A 65 -0.378 -13.278 0.873 1.00 0.00 C ATOM 923 CD PRO A 65 -0.537 -11.900 0.288 1.00 0.00 C ATOM 0 HA PRO A 65 -0.719 -13.784 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.563 -15.209 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.818 -14.284 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.245 -13.548 1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.492 -13.326 1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.224 -11.291 0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.413 -11.367 0.254 1.00 0.00 H new ATOM 931 N LYS A 66 -3.367 -13.635 -2.208 1.00 0.00 N ATOM 932 CA LYS A 66 -4.746 -14.102 -2.278 1.00 0.00 C ATOM 933 C LYS A 66 -5.417 -13.624 -3.564 1.00 0.00 C ATOM 934 O LYS A 66 -5.499 -14.364 -4.544 1.00 0.00 O ATOM 935 CB LYS A 66 -5.537 -13.609 -1.064 1.00 0.00 C ATOM 936 CG LYS A 66 -7.034 -13.849 -1.172 1.00 0.00 C ATOM 937 CD LYS A 66 -7.356 -15.333 -1.255 1.00 0.00 C ATOM 938 CE LYS A 66 -8.175 -15.793 -0.060 1.00 0.00 C ATOM 939 NZ LYS A 66 -7.749 -17.135 0.424 1.00 0.00 N ATOM 0 H LYS A 66 -3.143 -12.881 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.734 -15.192 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.162 -14.107 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.357 -12.542 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.536 -13.414 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.422 -13.341 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.906 -15.536 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.430 -15.905 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.076 -15.068 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.230 -15.824 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.332 -17.411 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.867 -17.833 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.750 -17.100 0.710 1.00 0.00 H new ATOM 953 N GLY A 67 -5.891 -12.383 -3.552 1.00 0.00 N ATOM 954 CA GLY A 67 -6.547 -11.828 -4.721 1.00 0.00 C ATOM 955 C GLY A 67 -6.796 -10.338 -4.592 1.00 0.00 C ATOM 956 O GLY A 67 -6.201 -9.674 -3.743 1.00 0.00 O ATOM 0 H GLY A 67 -5.833 -11.751 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.933 -12.016 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.496 -12.340 -4.879 1.00 0.00 H new ATOM 960 N LYS A 68 -7.679 -9.812 -5.435 1.00 0.00 N ATOM 961 CA LYS A 68 -8.005 -8.390 -5.409 1.00 0.00 C ATOM 962 C LYS A 68 -8.857 -8.052 -4.191 1.00 0.00 C ATOM 963 O LYS A 68 -9.763 -8.801 -3.828 1.00 0.00 O ATOM 964 CB LYS A 68 -8.741 -7.989 -6.689 1.00 0.00 C ATOM 965 CG LYS A 68 -9.234 -6.550 -6.678 1.00 0.00 C ATOM 966 CD LYS A 68 -10.115 -6.253 -7.881 1.00 0.00 C ATOM 967 CE LYS A 68 -10.241 -4.757 -8.120 1.00 0.00 C ATOM 968 NZ LYS A 68 -10.195 -4.419 -9.569 1.00 0.00 N ATOM 0 H LYS A 68 -8.181 -10.348 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.072 -7.829 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.076 -8.131 -7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.591 -8.655 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.793 -6.363 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.381 -5.872 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.697 -6.731 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.104 -6.683 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.178 -4.399 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.436 -4.238 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.284 -3.390 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.290 -4.737 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.979 -4.894 -10.061 1.00 0.00 H new ATOM 982 N GLY A 69 -8.559 -6.918 -3.562 1.00 0.00 N ATOM 983 CA GLY A 69 -9.307 -6.504 -2.391 1.00 0.00 C ATOM 984 C GLY A 69 -9.655 -7.668 -1.487 1.00 0.00 C ATOM 985 O GLY A 69 -10.746 -8.229 -1.576 1.00 0.00 O ATOM 0 H GLY A 69 -7.814 -6.281 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.724 -5.774 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.224 -6.006 -2.706 1.00 0.00 H new ATOM 989 N PHE A 70 -8.721 -8.033 -0.616 1.00 0.00 N ATOM 990 CA PHE A 70 -8.929 -9.140 0.308 1.00 0.00 C ATOM 991 C PHE A 70 -8.980 -8.646 1.749 1.00 0.00 C ATOM 992 O PHE A 70 -9.609 -9.267 2.606 1.00 0.00 O ATOM 993 CB PHE A 70 -7.814 -10.175 0.151 1.00 0.00 C ATOM 994 CG PHE A 70 -7.780 -11.192 1.256 1.00 0.00 C ATOM 995 CD1 PHE A 70 -8.954 -11.734 1.752 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.573 -11.605 1.796 1.00 0.00 C ATOM 997 CE1 PHE A 70 -8.924 -12.671 2.767 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.538 -12.542 2.811 1.00 0.00 C ATOM 999 CZ PHE A 70 -7.715 -13.075 3.298 1.00 0.00 C ATOM 0 H PHE A 70 -7.812 -7.578 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.886 -9.605 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.938 -10.690 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.854 -9.660 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.903 -11.421 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.650 -11.190 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.846 -13.087 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.591 -12.857 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.690 -13.806 4.092 1.00 0.00 H new ATOM 1009 N VAL A 71 -8.312 -7.527 2.011 1.00 0.00 N ATOM 1010 CA VAL A 71 -8.280 -6.957 3.349 1.00 0.00 C ATOM 1011 C VAL A 71 -9.606 -6.270 3.688 1.00 0.00 C ATOM 1012 O VAL A 71 -10.257 -6.611 4.675 1.00 0.00 O ATOM 1013 CB VAL A 71 -7.085 -5.977 3.505 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -7.469 -4.709 4.258 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -5.924 -6.677 4.193 1.00 0.00 C ATOM 0 H VAL A 71 -7.787 -6.999 1.314 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.139 -7.773 4.058 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.780 -5.670 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.599 -4.057 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.261 -4.191 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.822 -4.971 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.091 -5.982 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.238 -7.019 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.610 -7.533 3.596 1.00 0.00 H new ATOM 1025 N PRO A 72 -10.014 -5.287 2.875 1.00 0.00 N ATOM 1026 CA PRO A 72 -11.243 -4.539 3.070 1.00 0.00 C ATOM 1027 C PRO A 72 -12.400 -5.096 2.247 1.00 0.00 C ATOM 1028 O PRO A 72 -13.222 -5.863 2.748 1.00 0.00 O ATOM 1029 CB PRO A 72 -10.854 -3.143 2.572 1.00 0.00 C ATOM 1030 CG PRO A 72 -9.656 -3.338 1.681 1.00 0.00 C ATOM 1031 CD PRO A 72 -9.309 -4.806 1.695 1.00 0.00 C ATOM 0 HA PRO A 72 -11.596 -4.571 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.676 -2.681 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.616 -2.483 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.876 -3.007 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.815 -2.743 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.644 -5.311 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.234 -4.968 1.771 1.00 0.00 H new ATOM 1039 N ALA A 73 -12.452 -4.704 0.977 1.00 0.00 N ATOM 1040 CA ALA A 73 -13.502 -5.160 0.074 1.00 0.00 C ATOM 1041 C ALA A 73 -13.252 -4.661 -1.345 1.00 0.00 C ATOM 1042 O ALA A 73 -14.191 -4.417 -2.103 1.00 0.00 O ATOM 1043 CB ALA A 73 -14.864 -4.694 0.569 1.00 0.00 C ATOM 0 H ALA A 73 -11.777 -4.070 0.550 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.490 -6.250 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -15.638 -5.042 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.049 -5.101 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.882 -3.605 0.614 1.00 0.00 H new ATOM 1049 N GLY A 74 -11.978 -4.512 -1.696 1.00 0.00 N ATOM 1050 CA GLY A 74 -11.624 -4.042 -3.022 1.00 0.00 C ATOM 1051 C GLY A 74 -12.090 -2.623 -3.277 1.00 0.00 C ATOM 1052 O GLY A 74 -12.564 -2.304 -4.368 1.00 0.00 O ATOM 0 H GLY A 74 -11.185 -4.709 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.542 -4.094 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.062 -4.705 -3.768 1.00 0.00 H new ATOM 1056 N GLU A 75 -11.952 -1.767 -2.269 1.00 0.00 N ATOM 1057 CA GLU A 75 -12.362 -0.373 -2.389 1.00 0.00 C ATOM 1058 C GLU A 75 -11.221 0.484 -2.926 1.00 0.00 C ATOM 1059 O GLU A 75 -11.390 1.719 -2.993 1.00 0.00 O ATOM 1060 CB GLU A 75 -12.823 0.163 -1.033 1.00 0.00 C ATOM 1061 CG GLU A 75 -11.692 0.345 -0.034 1.00 0.00 C ATOM 1062 CD GLU A 75 -11.931 1.506 0.912 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -13.058 1.621 1.437 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -10.991 2.299 1.128 1.00 0.00 O ATOM 1065 OXT GLU A 75 -10.168 -0.089 -3.277 1.00 0.00 O ATOM 0 H GLU A 75 -11.560 -2.015 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.193 -0.323 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.323 1.120 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.561 -0.521 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.572 -0.571 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.758 0.507 -0.573 1.00 0.00 H new TER 1072 GLU A 75