USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=12 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 0:sc= -2.26! USER MOD Set 1.2: A 46 ASN : amide:sc= -1.68 K(o=-3.9,f=-2.5) USER MOD Single : A 1 SER N :NH3+ -177:sc= -0.134 (180deg=-0.16) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0569) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -20:sc= -1.23 USER MOD Single : A 15 ASN : amide:sc= -7.45! C(o=-7.4!,f=-5.5!) USER MOD Single : A 17 ASN : amide:sc= -29! C(o=-29!,f=-32!) USER MOD Single : A 20 SER OG : rot -71:sc= 0.961 USER MOD Single : A 24 ASN : amide:sc= -0.0604 K(o=-0.06,f=-0.87) USER MOD Single : A 29 ASN : amide:sc= 0.225 K(o=0.22,f=-1.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc=-0.00632 (180deg=-0.00632) USER MOD Single : A 33 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.1!) USER MOD Single : A 38 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -68:sc= -6.5! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -146:sc= -9.18! (180deg=-16!) 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 12.197 -3.645 0.396 1.00 0.00 N ATOM 2 CA SER A 1 12.846 -3.875 -0.922 1.00 0.00 C ATOM 3 C SER A 1 12.857 -5.358 -1.280 1.00 0.00 C ATOM 4 O SER A 1 13.204 -5.734 -2.400 1.00 0.00 O ATOM 5 CB SER A 1 14.277 -3.337 -0.863 1.00 0.00 C ATOM 6 OG SER A 1 14.336 -1.996 -1.316 1.00 0.00 O ATOM 0 H1 SER A 1 12.158 -2.624 0.590 1.00 0.00 H new ATOM 0 H2 SER A 1 11.232 -4.031 0.380 1.00 0.00 H new ATOM 0 H3 SER A 1 12.747 -4.118 1.141 1.00 0.00 H new ATOM 0 HA SER A 1 12.280 -3.354 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.649 -3.395 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.929 -3.960 -1.475 1.00 0.00 H new ATOM 0 HG SER A 1 15.260 -1.675 -1.267 1.00 0.00 H new ATOM 14 N ALA A 2 12.475 -6.197 -0.322 1.00 0.00 N ATOM 15 CA ALA A 2 12.441 -7.639 -0.540 1.00 0.00 C ATOM 16 C ALA A 2 12.029 -8.376 0.730 1.00 0.00 C ATOM 17 O ALA A 2 12.091 -7.825 1.828 1.00 0.00 O ATOM 18 CB ALA A 2 13.799 -8.131 -1.019 1.00 0.00 C ATOM 0 H ALA A 2 12.185 -5.904 0.611 1.00 0.00 H new ATOM 0 HA ALA A 2 11.697 -7.849 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.760 -9.209 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.056 -7.635 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.555 -7.902 -0.268 1.00 0.00 H new ATOM 24 N ASP A 3 11.609 -9.628 0.571 1.00 0.00 N ATOM 25 CA ASP A 3 11.186 -10.442 1.704 1.00 0.00 C ATOM 26 C ASP A 3 10.076 -9.749 2.488 1.00 0.00 C ATOM 27 O ASP A 3 9.862 -8.545 2.347 1.00 0.00 O ATOM 28 CB ASP A 3 12.374 -10.726 2.626 1.00 0.00 C ATOM 29 CG ASP A 3 13.109 -11.997 2.246 1.00 0.00 C ATOM 30 OD1 ASP A 3 12.473 -12.898 1.661 1.00 0.00 O ATOM 31 OD2 ASP A 3 14.321 -12.091 2.535 1.00 0.00 O ATOM 0 H ASP A 3 11.553 -10.100 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 3 10.800 -11.385 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.066 -9.885 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.021 -10.807 3.654 1.00 0.00 H new ATOM 36 N GLN A 4 9.373 -10.517 3.313 1.00 0.00 N ATOM 37 CA GLN A 4 8.286 -9.977 4.120 1.00 0.00 C ATOM 38 C GLN A 4 8.674 -8.629 4.721 1.00 0.00 C ATOM 39 O GLN A 4 9.622 -8.536 5.501 1.00 0.00 O ATOM 40 CB GLN A 4 7.915 -10.958 5.234 1.00 0.00 C ATOM 41 CG GLN A 4 9.097 -11.379 6.091 1.00 0.00 C ATOM 42 CD GLN A 4 8.712 -11.620 7.538 1.00 0.00 C ATOM 43 OE1 GLN A 4 7.583 -12.008 7.836 1.00 0.00 O ATOM 44 NE2 GLN A 4 9.652 -11.386 8.447 1.00 0.00 N ATOM 0 H GLN A 4 9.537 -11.516 3.440 1.00 0.00 H new ATOM 0 HA GLN A 4 7.422 -9.831 3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.158 -10.501 5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.464 -11.846 4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.534 -12.289 5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.866 -10.608 6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.575 -11.065 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.451 -11.527 9.437 1.00 0.00 H new ATOM 53 N PRO A 5 7.941 -7.563 4.363 1.00 0.00 N ATOM 54 CA PRO A 5 8.207 -6.211 4.865 1.00 0.00 C ATOM 55 C PRO A 5 8.196 -6.148 6.389 1.00 0.00 C ATOM 56 O PRO A 5 7.674 -7.044 7.053 1.00 0.00 O ATOM 57 CB PRO A 5 7.057 -5.383 4.286 1.00 0.00 C ATOM 58 CG PRO A 5 6.609 -6.144 3.088 1.00 0.00 C ATOM 59 CD PRO A 5 6.796 -7.592 3.438 1.00 0.00 C ATOM 0 HA PRO A 5 9.194 -5.854 4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.248 -5.269 5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.388 -4.380 4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.566 -5.929 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.195 -5.874 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.907 -8.012 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.005 -8.197 2.556 1.00 0.00 H new ATOM 67 N LYS A 6 8.776 -5.085 6.937 1.00 0.00 N ATOM 68 CA LYS A 6 8.833 -4.907 8.383 1.00 0.00 C ATOM 69 C LYS A 6 7.567 -4.232 8.899 1.00 0.00 C ATOM 70 O LYS A 6 6.686 -3.864 8.122 1.00 0.00 O ATOM 71 CB LYS A 6 10.058 -4.076 8.768 1.00 0.00 C ATOM 72 CG LYS A 6 11.325 -4.899 8.929 1.00 0.00 C ATOM 73 CD LYS A 6 11.400 -5.543 10.304 1.00 0.00 C ATOM 74 CE LYS A 6 12.224 -6.821 10.277 1.00 0.00 C ATOM 75 NZ LYS A 6 13.476 -6.689 11.073 1.00 0.00 N ATOM 0 H LYS A 6 9.213 -4.335 6.402 1.00 0.00 H new ATOM 0 HA LYS A 6 8.911 -5.893 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.224 -3.314 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.853 -3.553 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.358 -5.672 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.196 -4.262 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.839 -4.841 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.393 -5.765 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.629 -7.645 10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.474 -7.071 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.010 -7.580 11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.056 -5.919 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.237 -6.476 12.063 1.00 0.00 H new ATOM 89 N GLU A 7 7.483 -4.072 10.215 1.00 0.00 N ATOM 90 CA GLU A 7 6.325 -3.441 10.837 1.00 0.00 C ATOM 91 C GLU A 7 6.254 -1.960 10.477 1.00 0.00 C ATOM 92 O GLU A 7 6.280 -1.098 11.354 1.00 0.00 O ATOM 93 CB GLU A 7 6.382 -3.608 12.356 1.00 0.00 C ATOM 94 CG GLU A 7 7.690 -3.136 12.971 1.00 0.00 C ATOM 95 CD GLU A 7 8.080 -3.940 14.196 1.00 0.00 C ATOM 96 OE1 GLU A 7 8.633 -5.047 14.029 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.833 -3.461 15.323 1.00 0.00 O ATOM 0 H GLU A 7 8.204 -4.371 10.872 1.00 0.00 H new ATOM 0 HA GLU A 7 5.428 -3.931 10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.558 -3.054 12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.232 -4.659 12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.483 -3.206 12.227 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.601 -2.085 13.244 1.00 0.00 H new ATOM 104 N GLU A 8 6.163 -1.674 9.183 1.00 0.00 N ATOM 105 CA GLU A 8 6.088 -0.297 8.708 1.00 0.00 C ATOM 106 C GLU A 8 4.656 0.071 8.330 1.00 0.00 C ATOM 107 O GLU A 8 4.099 -0.465 7.374 1.00 0.00 O ATOM 108 CB GLU A 8 7.012 -0.101 7.504 1.00 0.00 C ATOM 109 CG GLU A 8 8.471 -0.404 7.801 1.00 0.00 C ATOM 110 CD GLU A 8 8.901 0.086 9.170 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.418 -0.470 10.179 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.720 1.027 9.233 1.00 0.00 O ATOM 0 H GLU A 8 6.139 -2.377 8.444 1.00 0.00 H new ATOM 0 HA GLU A 8 6.411 0.359 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.675 -0.742 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.927 0.928 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.635 -1.480 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.097 0.061 7.040 1.00 0.00 H new ATOM 119 N LYS A 9 4.068 0.990 9.090 1.00 0.00 N ATOM 120 CA LYS A 9 2.700 1.430 8.837 1.00 0.00 C ATOM 121 C LYS A 9 2.669 2.885 8.379 1.00 0.00 C ATOM 122 O LYS A 9 3.137 3.779 9.084 1.00 0.00 O ATOM 123 CB LYS A 9 1.847 1.258 10.096 1.00 0.00 C ATOM 124 CG LYS A 9 1.904 2.449 11.040 1.00 0.00 C ATOM 125 CD LYS A 9 0.898 3.517 10.646 1.00 0.00 C ATOM 126 CE LYS A 9 1.385 4.907 11.019 1.00 0.00 C ATOM 127 NZ LYS A 9 1.683 5.019 12.473 1.00 0.00 N ATOM 0 H LYS A 9 4.517 1.444 9.885 1.00 0.00 H new ATOM 0 HA LYS A 9 2.288 0.812 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.811 1.088 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.178 0.367 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.705 2.117 12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.908 2.873 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.718 3.470 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.054 3.320 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.281 5.144 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.628 5.642 10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.831 6.018 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.884 4.641 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.542 4.477 12.694 1.00 0.00 H new ATOM 141 N LYS A 10 2.110 3.116 7.195 1.00 0.00 N ATOM 142 CA LYS A 10 2.010 4.461 6.642 1.00 0.00 C ATOM 143 C LYS A 10 0.630 4.689 6.036 1.00 0.00 C ATOM 144 O LYS A 10 -0.259 3.845 6.157 1.00 0.00 O ATOM 145 CB LYS A 10 3.089 4.689 5.581 1.00 0.00 C ATOM 146 CG LYS A 10 4.127 5.723 5.983 1.00 0.00 C ATOM 147 CD LYS A 10 4.748 5.393 7.330 1.00 0.00 C ATOM 148 CE LYS A 10 6.145 5.977 7.457 1.00 0.00 C ATOM 149 NZ LYS A 10 6.578 6.080 8.878 1.00 0.00 N ATOM 0 H LYS A 10 1.719 2.386 6.599 1.00 0.00 H new ATOM 0 HA LYS A 10 2.160 5.173 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.591 3.743 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.613 5.006 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.907 5.771 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.663 6.708 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.116 5.782 8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.792 4.311 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.850 5.354 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.168 6.965 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.536 6.483 8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.920 6.695 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.581 5.134 9.309 1.00 0.00 H new ATOM 163 N GLU A 11 0.454 5.832 5.384 1.00 0.00 N ATOM 164 CA GLU A 11 -0.821 6.166 4.761 1.00 0.00 C ATOM 165 C GLU A 11 -1.019 5.382 3.468 1.00 0.00 C ATOM 166 O GLU A 11 -0.084 5.211 2.685 1.00 0.00 O ATOM 167 CB GLU A 11 -0.897 7.667 4.475 1.00 0.00 C ATOM 168 CG GLU A 11 -1.630 8.452 5.550 1.00 0.00 C ATOM 169 CD GLU A 11 -0.915 9.736 5.926 1.00 0.00 C ATOM 170 OE1 GLU A 11 -0.521 10.486 5.009 1.00 0.00 O ATOM 171 OE2 GLU A 11 -0.749 9.989 7.137 1.00 0.00 O ATOM 0 H GLU A 11 1.177 6.543 5.273 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.616 5.894 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.114 8.061 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.397 7.822 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.635 8.689 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.741 7.829 6.438 1.00 0.00 H new ATOM 178 N CYS A 12 -2.244 4.914 3.248 1.00 0.00 N ATOM 179 CA CYS A 12 -2.568 4.156 2.047 1.00 0.00 C ATOM 180 C CYS A 12 -3.216 5.059 1.008 1.00 0.00 C ATOM 181 O CYS A 12 -4.400 5.379 1.100 1.00 0.00 O ATOM 182 CB CYS A 12 -3.505 2.995 2.379 1.00 0.00 C ATOM 183 SG CYS A 12 -3.789 1.860 0.985 1.00 0.00 S ATOM 0 H CYS A 12 -3.028 5.047 3.887 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.641 3.754 1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.089 2.432 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.463 3.396 2.710 1.00 0.00 H new ATOM 188 N TYR A 13 -2.429 5.480 0.027 1.00 0.00 N ATOM 189 CA TYR A 13 -2.924 6.363 -1.019 1.00 0.00 C ATOM 190 C TYR A 13 -3.788 5.618 -2.026 1.00 0.00 C ATOM 191 O TYR A 13 -3.473 4.495 -2.423 1.00 0.00 O ATOM 192 CB TYR A 13 -1.759 7.034 -1.741 1.00 0.00 C ATOM 193 CG TYR A 13 -1.102 8.126 -0.934 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.721 7.918 0.387 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.874 9.371 -1.495 1.00 0.00 C ATOM 196 CE1 TYR A 13 -0.129 8.926 1.121 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.287 10.384 -0.770 1.00 0.00 C ATOM 198 CZ TYR A 13 0.084 10.158 0.538 1.00 0.00 C ATOM 199 OH TYR A 13 0.663 11.167 1.268 1.00 0.00 O ATOM 0 H TYR A 13 -1.446 5.224 -0.066 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.543 7.121 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.014 6.279 -1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.117 7.453 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.891 6.955 0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.162 9.551 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.166 8.751 2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.118 11.350 -1.224 1.00 0.00 H new ATOM 0 HH TYR A 13 0.858 10.845 2.173 1.00 0.00 H new ATOM 209 N TYR A 14 -4.871 6.266 -2.445 1.00 0.00 N ATOM 210 CA TYR A 14 -5.784 5.693 -3.424 1.00 0.00 C ATOM 211 C TYR A 14 -5.548 6.337 -4.789 1.00 0.00 C ATOM 212 O TYR A 14 -5.703 5.687 -5.824 1.00 0.00 O ATOM 213 CB TYR A 14 -7.228 5.887 -2.979 1.00 0.00 C ATOM 214 CG TYR A 14 -7.704 4.874 -1.956 1.00 0.00 C ATOM 215 CD1 TYR A 14 -7.268 3.553 -1.984 1.00 0.00 C ATOM 216 CD2 TYR A 14 -8.596 5.246 -0.958 1.00 0.00 C ATOM 217 CE1 TYR A 14 -7.709 2.636 -1.048 1.00 0.00 C ATOM 218 CE2 TYR A 14 -9.040 4.335 -0.019 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.593 3.032 -0.068 1.00 0.00 C ATOM 220 OH TYR A 14 -9.033 2.122 0.866 1.00 0.00 O ATOM 0 H TYR A 14 -5.137 7.195 -2.118 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.595 4.623 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.336 6.888 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.876 5.835 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.574 3.239 -2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.949 6.266 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.362 1.614 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.734 4.642 0.750 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.897 1.213 0.526 1.00 0.00 H new ATOM 230 N ASN A 15 -5.118 7.604 -4.785 1.00 0.00 N ATOM 231 CA ASN A 15 -4.798 8.302 -6.028 1.00 0.00 C ATOM 232 C ASN A 15 -3.376 7.919 -6.407 1.00 0.00 C ATOM 233 O ASN A 15 -3.150 6.831 -6.923 1.00 0.00 O ATOM 234 CB ASN A 15 -4.924 9.819 -5.855 1.00 0.00 C ATOM 235 CG ASN A 15 -6.339 10.313 -6.087 1.00 0.00 C ATOM 236 OD1 ASN A 15 -6.550 11.454 -6.498 1.00 0.00 O ATOM 237 ND2 ASN A 15 -7.317 9.455 -5.823 1.00 0.00 N ATOM 0 H ASN A 15 -4.985 8.160 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.496 8.015 -6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.606 10.095 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.249 10.318 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.289 9.732 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.096 8.519 -5.484 1.00 0.00 H new ATOM 244 N LEU A 16 -2.409 8.780 -6.107 1.00 0.00 N ATOM 245 CA LEU A 16 -1.014 8.442 -6.350 1.00 0.00 C ATOM 246 C LEU A 16 -0.073 9.220 -5.447 1.00 0.00 C ATOM 247 O LEU A 16 -0.476 9.747 -4.417 1.00 0.00 O ATOM 248 CB LEU A 16 -0.610 8.538 -7.813 1.00 0.00 C ATOM 249 CG LEU A 16 -0.068 7.213 -8.363 1.00 0.00 C ATOM 250 CD1 LEU A 16 1.080 6.701 -7.514 1.00 0.00 C ATOM 251 CD2 LEU A 16 -1.175 6.176 -8.410 1.00 0.00 C ATOM 0 H LEU A 16 -2.563 9.703 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.919 7.388 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.472 8.847 -8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.149 9.312 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 16 0.303 7.391 -9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.446 5.760 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.886 7.434 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.734 6.540 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.779 5.239 -8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.564 6.013 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.978 6.530 -9.057 1.00 0.00 H new ATOM 263 N ASN A 17 1.191 9.277 -5.837 1.00 0.00 N ATOM 264 CA ASN A 17 2.201 9.975 -5.058 1.00 0.00 C ATOM 265 C ASN A 17 3.517 10.037 -5.820 1.00 0.00 C ATOM 266 O ASN A 17 4.251 11.021 -5.739 1.00 0.00 O ATOM 267 CB ASN A 17 2.418 9.274 -3.712 1.00 0.00 C ATOM 268 CG ASN A 17 1.560 8.028 -3.536 1.00 0.00 C ATOM 269 OD1 ASN A 17 0.902 7.858 -2.516 1.00 0.00 O ATOM 270 ND2 ASN A 17 1.550 7.149 -4.532 1.00 0.00 N ATOM 0 H ASN A 17 1.542 8.846 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 17 1.848 10.991 -4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.469 8.999 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.199 9.974 -2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.984 6.304 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.109 7.319 -5.368 1.00 0.00 H new ATOM 277 N ASP A 18 3.810 8.971 -6.555 1.00 0.00 N ATOM 278 CA ASP A 18 5.039 8.895 -7.332 1.00 0.00 C ATOM 279 C ASP A 18 6.253 9.101 -6.437 1.00 0.00 C ATOM 280 O ASP A 18 7.342 9.426 -6.909 1.00 0.00 O ATOM 281 CB ASP A 18 5.030 9.943 -8.448 1.00 0.00 C ATOM 282 CG ASP A 18 4.999 9.317 -9.829 1.00 0.00 C ATOM 283 OD1 ASP A 18 4.644 8.123 -9.932 1.00 0.00 O ATOM 284 OD2 ASP A 18 5.331 10.019 -10.807 1.00 0.00 O ATOM 0 H ASP A 18 3.213 8.148 -6.629 1.00 0.00 H new ATOM 0 HA ASP A 18 5.099 7.903 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.162 10.592 -8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.915 10.574 -8.358 1.00 0.00 H new ATOM 289 N ALA A 19 6.053 8.909 -5.138 1.00 0.00 N ATOM 290 CA ALA A 19 7.125 9.072 -4.167 1.00 0.00 C ATOM 291 C ALA A 19 7.932 10.331 -4.450 1.00 0.00 C ATOM 292 O ALA A 19 9.154 10.278 -4.585 1.00 0.00 O ATOM 293 CB ALA A 19 8.030 7.849 -4.169 1.00 0.00 C ATOM 0 H ALA A 19 5.156 8.640 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 19 6.676 9.174 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.827 7.985 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.447 6.965 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.465 7.720 -5.160 1.00 0.00 H new ATOM 299 N SER A 20 7.241 11.465 -4.534 1.00 0.00 N ATOM 300 CA SER A 20 7.903 12.739 -4.797 1.00 0.00 C ATOM 301 C SER A 20 6.896 13.869 -5.009 1.00 0.00 C ATOM 302 O SER A 20 7.212 15.036 -4.778 1.00 0.00 O ATOM 303 CB SER A 20 8.815 12.615 -6.017 1.00 0.00 C ATOM 304 OG SER A 20 8.096 12.153 -7.148 1.00 0.00 O ATOM 0 H SER A 20 6.229 11.528 -4.424 1.00 0.00 H new ATOM 0 HA SER A 20 8.501 12.988 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.264 13.583 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.632 11.928 -5.796 1.00 0.00 H new ATOM 0 HG SER A 20 7.859 11.210 -7.022 1.00 0.00 H new ATOM 310 N LEU A 21 5.688 13.527 -5.444 1.00 0.00 N ATOM 311 CA LEU A 21 4.654 14.531 -5.676 1.00 0.00 C ATOM 312 C LEU A 21 3.533 14.414 -4.647 1.00 0.00 C ATOM 313 O LEU A 21 2.710 15.318 -4.509 1.00 0.00 O ATOM 314 CB LEU A 21 4.085 14.415 -7.095 1.00 0.00 C ATOM 315 CG LEU A 21 3.951 12.992 -7.640 1.00 0.00 C ATOM 316 CD1 LEU A 21 2.635 12.373 -7.195 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.051 12.993 -9.158 1.00 0.00 C ATOM 0 H LEU A 21 5.401 12.568 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 21 5.118 15.512 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.102 14.885 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.723 14.985 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 21 4.768 12.391 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.556 11.361 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.598 12.340 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.806 12.974 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.954 11.973 -9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.254 13.609 -9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.017 13.398 -9.459 1.00 0.00 H new ATOM 329 N CYS A 22 3.516 13.300 -3.918 1.00 0.00 N ATOM 330 CA CYS A 22 2.504 13.067 -2.888 1.00 0.00 C ATOM 331 C CYS A 22 1.100 13.374 -3.410 1.00 0.00 C ATOM 332 O CYS A 22 0.732 14.536 -3.585 1.00 0.00 O ATOM 333 CB CYS A 22 2.802 13.915 -1.644 1.00 0.00 C ATOM 334 SG CYS A 22 4.214 15.060 -1.827 1.00 0.00 S ATOM 0 H CYS A 22 4.192 12.543 -4.021 1.00 0.00 H new ATOM 0 HA CYS A 22 2.541 12.012 -2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.913 14.493 -1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.998 13.249 -0.804 1.00 0.00 H new ATOM 339 N ASP A 23 0.315 12.324 -3.653 1.00 0.00 N ATOM 340 CA ASP A 23 -1.049 12.485 -4.155 1.00 0.00 C ATOM 341 C ASP A 23 -2.037 11.627 -3.362 1.00 0.00 C ATOM 342 O ASP A 23 -2.539 10.619 -3.857 1.00 0.00 O ATOM 343 CB ASP A 23 -1.110 12.119 -5.639 1.00 0.00 C ATOM 344 CG ASP A 23 -1.858 13.151 -6.460 1.00 0.00 C ATOM 345 OD1 ASP A 23 -2.322 14.152 -5.875 1.00 0.00 O ATOM 346 OD2 ASP A 23 -1.979 12.958 -7.688 1.00 0.00 O ATOM 0 H ASP A 23 0.600 11.355 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.333 13.530 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.096 12.016 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.594 11.149 -5.751 1.00 0.00 H new ATOM 351 N ASN A 24 -2.309 12.037 -2.127 1.00 0.00 N ATOM 352 CA ASN A 24 -3.230 11.311 -1.256 1.00 0.00 C ATOM 353 C ASN A 24 -4.686 11.628 -1.588 1.00 0.00 C ATOM 354 O ASN A 24 -4.984 12.249 -2.608 1.00 0.00 O ATOM 355 CB ASN A 24 -2.951 11.655 0.209 1.00 0.00 C ATOM 356 CG ASN A 24 -3.431 13.045 0.578 1.00 0.00 C ATOM 357 OD1 ASN A 24 -2.854 14.046 0.154 1.00 0.00 O ATOM 358 ND2 ASN A 24 -4.493 13.112 1.374 1.00 0.00 N ATOM 0 H ASN A 24 -1.903 12.872 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.068 10.246 -1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.440 10.922 0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.880 11.581 0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.861 14.020 1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.940 12.256 1.702 1.00 0.00 H new ATOM 365 N VAL A 25 -5.584 11.189 -0.708 1.00 0.00 N ATOM 366 CA VAL A 25 -7.018 11.408 -0.875 1.00 0.00 C ATOM 367 C VAL A 25 -7.807 10.342 -0.124 1.00 0.00 C ATOM 368 O VAL A 25 -8.434 9.474 -0.733 1.00 0.00 O ATOM 369 CB VAL A 25 -7.435 11.383 -2.359 1.00 0.00 C ATOM 370 CG1 VAL A 25 -6.838 10.177 -3.064 1.00 0.00 C ATOM 371 CG2 VAL A 25 -8.950 11.385 -2.484 1.00 0.00 C ATOM 0 H VAL A 25 -5.339 10.674 0.137 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.239 12.395 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.049 12.281 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.145 10.178 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.751 10.222 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.190 9.264 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.228 11.367 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.357 10.505 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.352 12.284 -2.018 1.00 0.00 H new ATOM 381 N LEU A 26 -7.758 10.405 1.203 1.00 0.00 N ATOM 382 CA LEU A 26 -8.454 9.435 2.042 1.00 0.00 C ATOM 383 C LEU A 26 -7.585 8.200 2.242 1.00 0.00 C ATOM 384 O LEU A 26 -8.040 7.068 2.074 1.00 0.00 O ATOM 385 CB LEU A 26 -9.789 9.039 1.408 1.00 0.00 C ATOM 386 CG LEU A 26 -10.585 10.196 0.800 1.00 0.00 C ATOM 387 CD1 LEU A 26 -12.075 9.894 0.835 1.00 0.00 C ATOM 388 CD2 LEU A 26 -10.286 11.494 1.534 1.00 0.00 C ATOM 0 H LEU A 26 -7.244 11.118 1.721 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.652 9.892 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.599 8.300 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.404 8.553 2.166 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.282 10.313 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.626 10.727 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.276 8.988 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.393 9.750 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.861 12.305 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.560 11.390 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.222 11.719 1.457 1.00 0.00 H new ATOM 400 N ALA A 27 -6.322 8.430 2.587 1.00 0.00 N ATOM 401 CA ALA A 27 -5.372 7.345 2.793 1.00 0.00 C ATOM 402 C ALA A 27 -5.178 7.035 4.274 1.00 0.00 C ATOM 403 O ALA A 27 -4.570 7.814 5.009 1.00 0.00 O ATOM 404 CB ALA A 27 -4.038 7.698 2.153 1.00 0.00 C ATOM 0 H ALA A 27 -5.933 9.362 2.730 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.779 6.451 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.332 6.883 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.178 7.855 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.647 8.609 2.606 1.00 0.00 H new ATOM 410 N PRO A 28 -5.682 5.876 4.725 1.00 0.00 N ATOM 411 CA PRO A 28 -5.553 5.445 6.120 1.00 0.00 C ATOM 412 C PRO A 28 -4.133 4.987 6.437 1.00 0.00 C ATOM 413 O PRO A 28 -3.395 4.575 5.545 1.00 0.00 O ATOM 414 CB PRO A 28 -6.528 4.270 6.211 1.00 0.00 C ATOM 415 CG PRO A 28 -6.565 3.712 4.830 1.00 0.00 C ATOM 416 CD PRO A 28 -6.408 4.889 3.904 1.00 0.00 C ATOM 0 HA PRO A 28 -5.766 6.246 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.188 3.526 6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.516 4.598 6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.764 2.988 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.505 3.192 4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.848 4.623 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.374 5.273 3.575 1.00 0.00 H new ATOM 424 N ASN A 29 -3.752 5.062 7.706 1.00 0.00 N ATOM 425 CA ASN A 29 -2.412 4.654 8.116 1.00 0.00 C ATOM 426 C ASN A 29 -2.379 3.174 8.483 1.00 0.00 C ATOM 427 O ASN A 29 -2.722 2.792 9.602 1.00 0.00 O ATOM 428 CB ASN A 29 -1.930 5.498 9.298 1.00 0.00 C ATOM 429 CG ASN A 29 -2.759 6.753 9.494 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.885 6.696 9.988 1.00 0.00 O ATOM 431 ND2 ASN A 29 -2.203 7.895 9.107 1.00 0.00 N ATOM 0 H ASN A 29 -4.345 5.398 8.464 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.741 4.815 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.966 4.898 10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.888 5.776 9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.712 8.772 9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.267 7.895 8.702 1.00 0.00 H new ATOM 438 N VAL A 30 -1.960 2.349 7.531 1.00 0.00 N ATOM 439 CA VAL A 30 -1.876 0.909 7.745 1.00 0.00 C ATOM 440 C VAL A 30 -0.521 0.373 7.302 1.00 0.00 C ATOM 441 O VAL A 30 0.404 1.139 7.028 1.00 0.00 O ATOM 442 CB VAL A 30 -2.981 0.157 6.979 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.327 0.832 7.179 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.641 0.066 5.498 1.00 0.00 C ATOM 0 H VAL A 30 -1.672 2.653 6.601 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.007 0.740 8.814 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.044 -0.855 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.093 0.285 6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.576 0.839 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.278 1.857 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.434 -0.469 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.546 1.070 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.699 -0.469 5.373 1.00 0.00 H new ATOM 454 N THR A 31 -0.411 -0.948 7.222 1.00 0.00 N ATOM 455 CA THR A 31 0.827 -1.585 6.797 1.00 0.00 C ATOM 456 C THR A 31 0.773 -1.908 5.308 1.00 0.00 C ATOM 457 O THR A 31 -0.208 -2.471 4.823 1.00 0.00 O ATOM 458 CB THR A 31 1.081 -2.858 7.608 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.111 -3.300 8.232 1.00 0.00 O ATOM 460 CG2 THR A 31 2.126 -2.679 8.688 1.00 0.00 C ATOM 0 H THR A 31 -1.165 -1.598 7.446 1.00 0.00 H new ATOM 0 HA THR A 31 1.650 -0.892 6.974 1.00 0.00 H new ATOM 0 HB THR A 31 1.446 -3.592 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.071 -4.115 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.258 -3.618 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.072 -2.384 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.801 -1.905 9.384 1.00 0.00 H new ATOM 468 N LYS A 32 1.830 -1.537 4.590 1.00 0.00 N ATOM 469 CA LYS A 32 1.910 -1.773 3.150 1.00 0.00 C ATOM 470 C LYS A 32 1.154 -3.034 2.748 1.00 0.00 C ATOM 471 O LYS A 32 0.403 -3.035 1.773 1.00 0.00 O ATOM 472 CB LYS A 32 3.371 -1.879 2.714 1.00 0.00 C ATOM 473 CG LYS A 32 3.548 -2.084 1.219 1.00 0.00 C ATOM 474 CD LYS A 32 4.933 -2.619 0.889 1.00 0.00 C ATOM 475 CE LYS A 32 6.024 -1.669 1.359 1.00 0.00 C ATOM 476 NZ LYS A 32 6.928 -2.310 2.354 1.00 0.00 N ATOM 0 H LYS A 32 2.647 -1.070 4.984 1.00 0.00 H new ATOM 0 HA LYS A 32 1.443 -0.926 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.897 -0.972 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.840 -2.708 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.792 -2.779 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.389 -1.139 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.070 -3.593 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.019 -2.770 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.607 -1.334 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.568 -0.783 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.657 -1.630 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.376 -2.607 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.383 -3.141 1.925 1.00 0.00 H new ATOM 490 N GLN A 33 1.356 -4.105 3.504 1.00 0.00 N ATOM 491 CA GLN A 33 0.691 -5.370 3.222 1.00 0.00 C ATOM 492 C GLN A 33 -0.820 -5.184 3.149 1.00 0.00 C ATOM 493 O GLN A 33 -1.428 -5.375 2.097 1.00 0.00 O ATOM 494 CB GLN A 33 1.040 -6.402 4.293 1.00 0.00 C ATOM 495 CG GLN A 33 2.531 -6.671 4.405 1.00 0.00 C ATOM 496 CD GLN A 33 2.940 -7.969 3.738 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.916 -8.015 2.988 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.193 -9.034 4.006 1.00 0.00 N ATOM 0 H GLN A 33 1.974 -4.123 4.316 1.00 0.00 H new ATOM 0 HA GLN A 33 1.041 -5.730 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.667 -6.056 5.257 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.525 -7.336 4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.081 -5.845 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.813 -6.703 5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.393 -8.951 4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.419 -9.935 3.585 1.00 0.00 H new ATOM 507 N GLU A 34 -1.421 -4.807 4.271 1.00 0.00 N ATOM 508 CA GLU A 34 -2.863 -4.596 4.330 1.00 0.00 C ATOM 509 C GLU A 34 -3.320 -3.631 3.241 1.00 0.00 C ATOM 510 O GLU A 34 -4.247 -3.924 2.484 1.00 0.00 O ATOM 511 CB GLU A 34 -3.265 -4.058 5.704 1.00 0.00 C ATOM 512 CG GLU A 34 -2.462 -4.650 6.850 1.00 0.00 C ATOM 513 CD GLU A 34 -2.210 -6.135 6.680 1.00 0.00 C ATOM 514 OE1 GLU A 34 -2.883 -6.759 5.833 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.340 -6.675 7.394 1.00 0.00 O ATOM 0 H GLU A 34 -0.933 -4.641 5.151 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.351 -5.557 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.145 -2.975 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.323 -4.263 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.507 -4.130 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.993 -4.480 7.787 1.00 0.00 H new ATOM 522 N CYS A 35 -2.666 -2.478 3.172 1.00 0.00 N ATOM 523 CA CYS A 35 -3.009 -1.465 2.183 1.00 0.00 C ATOM 524 C CYS A 35 -2.913 -2.017 0.764 1.00 0.00 C ATOM 525 O CYS A 35 -3.929 -2.256 0.111 1.00 0.00 O ATOM 526 CB CYS A 35 -2.095 -0.249 2.333 1.00 0.00 C ATOM 527 SG CYS A 35 -2.049 0.825 0.863 1.00 0.00 S ATOM 0 H CYS A 35 -1.895 -2.222 3.789 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.042 -1.164 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.426 0.338 3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.084 -0.592 2.552 1.00 0.00 H new ATOM 532 N CYS A 36 -1.687 -2.204 0.287 1.00 0.00 N ATOM 533 CA CYS A 36 -1.461 -2.715 -1.061 1.00 0.00 C ATOM 534 C CYS A 36 -2.345 -3.926 -1.352 1.00 0.00 C ATOM 535 O CYS A 36 -2.812 -4.105 -2.476 1.00 0.00 O ATOM 536 CB CYS A 36 0.012 -3.080 -1.246 1.00 0.00 C ATOM 537 SG CYS A 36 1.174 -1.746 -0.808 1.00 0.00 S ATOM 0 H CYS A 36 -0.835 -2.010 0.813 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.726 -1.929 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.237 -3.956 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.177 -3.363 -2.286 1.00 0.00 H new ATOM 542 N CYS A 37 -2.573 -4.751 -0.335 1.00 0.00 N ATOM 543 CA CYS A 37 -3.406 -5.941 -0.493 1.00 0.00 C ATOM 544 C CYS A 37 -4.866 -5.550 -0.705 1.00 0.00 C ATOM 545 O CYS A 37 -5.651 -6.316 -1.263 1.00 0.00 O ATOM 546 CB CYS A 37 -3.276 -6.844 0.736 1.00 0.00 C ATOM 547 SG CYS A 37 -3.927 -8.534 0.515 1.00 0.00 S ATOM 0 H CYS A 37 -2.195 -4.620 0.603 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.063 -6.488 -1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.224 -6.908 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.797 -6.375 1.571 1.00 0.00 H new ATOM 552 N THR A 38 -5.223 -4.347 -0.262 1.00 0.00 N ATOM 553 CA THR A 38 -6.587 -3.854 -0.411 1.00 0.00 C ATOM 554 C THR A 38 -6.806 -3.276 -1.805 1.00 0.00 C ATOM 555 O THR A 38 -7.886 -3.417 -2.378 1.00 0.00 O ATOM 556 CB THR A 38 -6.888 -2.792 0.647 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.720 -3.319 1.950 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.293 -2.236 0.553 1.00 0.00 C ATOM 0 H THR A 38 -4.587 -3.698 0.202 1.00 0.00 H new ATOM 0 HA THR A 38 -7.267 -4.695 -0.274 1.00 0.00 H new ATOM 0 HB THR A 38 -6.181 -1.985 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.771 -3.292 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.441 -1.488 1.332 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.438 -1.776 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.013 -3.043 0.684 1.00 0.00 H new ATOM 566 N SER A 39 -5.769 -2.621 -2.334 1.00 0.00 N ATOM 567 CA SER A 39 -5.816 -2.004 -3.660 1.00 0.00 C ATOM 568 C SER A 39 -6.096 -0.513 -3.540 1.00 0.00 C ATOM 569 O SER A 39 -7.083 -0.105 -2.928 1.00 0.00 O ATOM 570 CB SER A 39 -6.869 -2.670 -4.547 1.00 0.00 C ATOM 571 OG SER A 39 -6.722 -2.276 -5.901 1.00 0.00 O ATOM 0 H SER A 39 -4.876 -2.504 -1.856 1.00 0.00 H new ATOM 0 HA SER A 39 -4.842 -2.146 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.781 -3.754 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.866 -2.405 -4.194 1.00 0.00 H new ATOM 0 HG SER A 39 -7.406 -2.717 -6.446 1.00 0.00 H new ATOM 577 N GLY A 40 -5.217 0.299 -4.116 1.00 0.00 N ATOM 578 CA GLY A 40 -5.395 1.731 -4.043 1.00 0.00 C ATOM 579 C GLY A 40 -4.504 2.510 -4.993 1.00 0.00 C ATOM 580 O GLY A 40 -4.896 2.796 -6.125 1.00 0.00 O ATOM 0 H GLY A 40 -4.391 -0.009 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.436 1.969 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.198 2.060 -3.023 1.00 0.00 H new ATOM 584 N ALA A 41 -3.316 2.884 -4.524 1.00 0.00 N ATOM 585 CA ALA A 41 -2.390 3.667 -5.332 1.00 0.00 C ATOM 586 C ALA A 41 -0.951 3.430 -4.947 1.00 0.00 C ATOM 587 O ALA A 41 -0.187 2.809 -5.679 1.00 0.00 O ATOM 588 CB ALA A 41 -2.705 5.134 -5.177 1.00 0.00 C ATOM 0 H ALA A 41 -2.974 2.657 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.515 3.351 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.013 5.721 -5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.726 5.324 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.604 5.419 -4.130 1.00 0.00 H new ATOM 594 N GLY A 42 -0.597 3.974 -3.792 1.00 0.00 N ATOM 595 CA GLY A 42 0.749 3.870 -3.287 1.00 0.00 C ATOM 596 C GLY A 42 0.778 3.961 -1.772 1.00 0.00 C ATOM 597 O GLY A 42 0.004 4.706 -1.176 1.00 0.00 O ATOM 0 H GLY A 42 -1.234 4.494 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.187 2.924 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.362 4.664 -3.713 1.00 0.00 H new ATOM 601 N TRP A 43 1.654 3.189 -1.140 1.00 0.00 N ATOM 602 CA TRP A 43 1.744 3.189 0.317 1.00 0.00 C ATOM 603 C TRP A 43 3.041 3.828 0.806 1.00 0.00 C ATOM 604 O TRP A 43 4.132 3.329 0.529 1.00 0.00 O ATOM 605 CB TRP A 43 1.642 1.758 0.846 1.00 0.00 C ATOM 606 CG TRP A 43 1.753 1.662 2.337 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.733 1.741 3.241 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.951 1.468 3.098 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.223 1.609 4.517 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.582 1.439 4.456 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.301 1.314 2.766 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.512 1.264 5.478 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.222 1.140 3.782 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.823 1.115 5.123 1.00 0.00 C ATOM 0 H TRP A 43 2.307 2.560 -1.607 1.00 0.00 H new ATOM 0 HA TRP A 43 0.914 3.784 0.699 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.690 1.330 0.532 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.428 1.154 0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.307 1.886 2.989 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.666 1.633 5.371 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.618 1.331 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.208 1.247 6.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.267 1.021 3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.567 0.975 5.893 1.00 0.00 H new ATOM 625 N GLY A 44 2.916 4.932 1.546 1.00 0.00 N ATOM 626 CA GLY A 44 4.090 5.602 2.068 1.00 0.00 C ATOM 627 C GLY A 44 3.766 6.754 2.998 1.00 0.00 C ATOM 628 O GLY A 44 2.667 6.831 3.551 1.00 0.00 O ATOM 0 H GLY A 44 2.027 5.368 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.705 4.877 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.686 5.975 1.235 1.00 0.00 H new ATOM 632 N ASP A 45 4.739 7.644 3.176 1.00 0.00 N ATOM 633 CA ASP A 45 4.575 8.800 4.049 1.00 0.00 C ATOM 634 C ASP A 45 4.680 10.110 3.269 1.00 0.00 C ATOM 635 O ASP A 45 5.771 10.639 3.062 1.00 0.00 O ATOM 636 CB ASP A 45 5.622 8.772 5.163 1.00 0.00 C ATOM 637 CG ASP A 45 6.859 7.985 4.775 1.00 0.00 C ATOM 638 OD1 ASP A 45 6.804 6.738 4.815 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.879 8.615 4.430 1.00 0.00 O ATOM 0 H ASP A 45 5.652 7.585 2.725 1.00 0.00 H new ATOM 0 HA ASP A 45 3.578 8.747 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.909 9.793 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.183 8.334 6.060 1.00 0.00 H new ATOM 644 N ASN A 46 3.529 10.626 2.854 1.00 0.00 N ATOM 645 CA ASN A 46 3.453 11.882 2.110 1.00 0.00 C ATOM 646 C ASN A 46 4.695 12.132 1.259 1.00 0.00 C ATOM 647 O ASN A 46 5.730 12.569 1.762 1.00 0.00 O ATOM 648 CB ASN A 46 3.246 13.050 3.075 1.00 0.00 C ATOM 649 CG ASN A 46 3.052 14.369 2.353 1.00 0.00 C ATOM 650 OD1 ASN A 46 3.609 15.394 2.748 1.00 0.00 O ATOM 651 ND2 ASN A 46 2.259 14.350 1.289 1.00 0.00 N ATOM 0 H ASN A 46 2.623 10.188 3.022 1.00 0.00 H new ATOM 0 HA ASN A 46 2.603 11.802 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.377 12.850 3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.107 13.126 3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.091 15.208 0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.818 13.478 0.997 1.00 0.00 H new ATOM 658 N CYS A 47 4.573 11.873 -0.042 1.00 0.00 N ATOM 659 CA CYS A 47 5.673 12.091 -0.975 1.00 0.00 C ATOM 660 C CYS A 47 6.630 10.903 -1.009 1.00 0.00 C ATOM 661 O CYS A 47 7.371 10.722 -1.974 1.00 0.00 O ATOM 662 CB CYS A 47 6.424 13.368 -0.602 1.00 0.00 C ATOM 663 SG CYS A 47 5.329 14.756 -0.156 1.00 0.00 S ATOM 0 H CYS A 47 3.722 11.512 -0.472 1.00 0.00 H new ATOM 0 HA CYS A 47 5.250 12.198 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.089 13.157 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.053 13.667 -1.440 1.00 0.00 H new ATOM 668 N GLU A 48 6.606 10.090 0.041 1.00 0.00 N ATOM 669 CA GLU A 48 7.465 8.915 0.118 1.00 0.00 C ATOM 670 C GLU A 48 6.611 7.648 0.040 1.00 0.00 C ATOM 671 O GLU A 48 6.503 6.889 1.000 1.00 0.00 O ATOM 672 CB GLU A 48 8.284 8.953 1.416 1.00 0.00 C ATOM 673 CG GLU A 48 8.731 7.588 1.912 1.00 0.00 C ATOM 674 CD GLU A 48 10.001 7.654 2.736 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.158 8.624 3.508 1.00 0.00 O ATOM 676 OE2 GLU A 48 10.839 6.736 2.610 1.00 0.00 O ATOM 0 H GLU A 48 6.001 10.223 0.851 1.00 0.00 H new ATOM 0 HA GLU A 48 8.160 8.912 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.165 9.576 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.689 9.433 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.936 7.145 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.890 6.930 1.058 1.00 0.00 H new ATOM 683 N ILE A 49 5.978 7.454 -1.113 1.00 0.00 N ATOM 684 CA ILE A 49 5.101 6.314 -1.332 1.00 0.00 C ATOM 685 C ILE A 49 5.591 5.408 -2.461 1.00 0.00 C ATOM 686 O ILE A 49 6.338 5.835 -3.342 1.00 0.00 O ATOM 687 CB ILE A 49 3.673 6.803 -1.654 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.980 7.288 -0.382 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.860 5.710 -2.322 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.350 8.652 -0.533 1.00 0.00 C ATOM 0 H ILE A 49 6.059 8.079 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 49 5.103 5.728 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 49 3.748 7.638 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.212 6.569 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.705 7.318 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.858 6.082 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.345 5.413 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.792 4.849 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.874 8.939 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.119 9.382 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.602 8.621 -1.325 1.00 0.00 H new ATOM 702 N PHE A 50 5.139 4.155 -2.423 1.00 0.00 N ATOM 703 CA PHE A 50 5.498 3.169 -3.436 1.00 0.00 C ATOM 704 C PHE A 50 4.244 2.678 -4.160 1.00 0.00 C ATOM 705 O PHE A 50 3.390 2.020 -3.566 1.00 0.00 O ATOM 706 CB PHE A 50 6.228 1.987 -2.796 1.00 0.00 C ATOM 707 CG PHE A 50 6.867 2.317 -1.477 1.00 0.00 C ATOM 708 CD1 PHE A 50 7.936 3.195 -1.411 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.396 1.749 -0.305 1.00 0.00 C ATOM 710 CE1 PHE A 50 8.524 3.500 -0.198 1.00 0.00 C ATOM 711 CE2 PHE A 50 6.981 2.050 0.910 1.00 0.00 C ATOM 712 CZ PHE A 50 8.046 2.927 0.964 1.00 0.00 C ATOM 0 H PHE A 50 4.519 3.799 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 50 6.164 3.641 -4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.522 1.169 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.995 1.630 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.314 3.646 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.562 1.063 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.357 4.186 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.605 1.600 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.504 3.164 1.913 1.00 0.00 H new ATOM 722 N PRO A 51 4.118 3.004 -5.455 1.00 0.00 N ATOM 723 CA PRO A 51 2.966 2.611 -6.269 1.00 0.00 C ATOM 724 C PRO A 51 2.506 1.177 -6.007 1.00 0.00 C ATOM 725 O PRO A 51 3.122 0.221 -6.477 1.00 0.00 O ATOM 726 CB PRO A 51 3.497 2.754 -7.692 1.00 0.00 C ATOM 727 CG PRO A 51 4.489 3.864 -7.610 1.00 0.00 C ATOM 728 CD PRO A 51 5.093 3.795 -6.228 1.00 0.00 C ATOM 0 HA PRO A 51 2.087 3.218 -6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.962 1.831 -8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.696 2.988 -8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.257 3.755 -8.375 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.008 4.828 -7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.073 3.317 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.229 4.789 -5.801 1.00 0.00 H new ATOM 736 N CYS A 52 1.412 1.040 -5.262 1.00 0.00 N ATOM 737 CA CYS A 52 0.856 -0.268 -4.948 1.00 0.00 C ATOM 738 C CYS A 52 -0.654 -0.219 -4.754 1.00 0.00 C ATOM 739 O CYS A 52 -1.234 0.796 -4.313 1.00 0.00 O ATOM 740 CB CYS A 52 1.495 -0.850 -3.692 1.00 0.00 C ATOM 741 SG CYS A 52 0.750 -0.267 -2.134 1.00 0.00 S ATOM 0 H CYS A 52 0.893 1.823 -4.865 1.00 0.00 H new ATOM 0 HA CYS A 52 1.077 -0.907 -5.803 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.423 -1.937 -3.732 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.556 -0.601 -3.689 1.00 0.00 H new ATOM 746 N PRO A 53 -1.309 -1.341 -5.071 1.00 0.00 N ATOM 747 CA PRO A 53 -0.645 -2.535 -5.590 1.00 0.00 C ATOM 748 C PRO A 53 -0.507 -2.494 -7.108 1.00 0.00 C ATOM 749 O PRO A 53 -0.848 -1.496 -7.743 1.00 0.00 O ATOM 750 CB PRO A 53 -1.597 -3.645 -5.166 1.00 0.00 C ATOM 751 CG PRO A 53 -2.947 -3.013 -5.183 1.00 0.00 C ATOM 752 CD PRO A 53 -2.751 -1.532 -4.965 1.00 0.00 C ATOM 0 HA PRO A 53 0.373 -2.653 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.548 -4.492 -5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.349 -4.022 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.447 -3.199 -6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.579 -3.436 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.286 -0.946 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.123 -1.221 -3.989 1.00 0.00 H new ATOM 760 N VAL A 54 -0.006 -3.580 -7.687 1.00 0.00 N ATOM 761 CA VAL A 54 0.171 -3.657 -9.133 1.00 0.00 C ATOM 762 C VAL A 54 -0.804 -4.652 -9.757 1.00 0.00 C ATOM 763 O VAL A 54 -0.848 -4.809 -10.977 1.00 0.00 O ATOM 764 CB VAL A 54 1.610 -4.059 -9.504 1.00 0.00 C ATOM 765 CG1 VAL A 54 1.841 -3.901 -10.999 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.615 -3.236 -8.713 1.00 0.00 C ATOM 0 H VAL A 54 0.284 -4.416 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.031 -2.661 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 54 1.751 -5.109 -9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.864 -4.190 -11.242 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.145 -4.538 -11.544 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.680 -2.861 -11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.627 -3.534 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.475 -2.178 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.465 -3.405 -7.647 1.00 0.00 H new ATOM 776 N LEU A 55 -1.588 -5.318 -8.913 1.00 0.00 N ATOM 777 CA LEU A 55 -2.566 -6.292 -9.383 1.00 0.00 C ATOM 778 C LEU A 55 -1.898 -7.386 -10.211 1.00 0.00 C ATOM 779 O LEU A 55 -1.224 -7.104 -11.203 1.00 0.00 O ATOM 780 CB LEU A 55 -3.649 -5.599 -10.210 1.00 0.00 C ATOM 781 CG LEU A 55 -5.035 -5.568 -9.564 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.919 -5.320 -8.068 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.903 -4.502 -10.216 1.00 0.00 C ATOM 0 H LEU A 55 -1.564 -5.200 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.025 -6.756 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.334 -4.574 -10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.725 -6.101 -11.175 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.509 -6.538 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.914 -5.301 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.333 -6.118 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.426 -4.363 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.885 -4.494 -9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.434 -3.526 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.013 -4.721 -11.278 1.00 0.00 H new ATOM 795 N GLY A 56 -2.091 -8.634 -9.798 1.00 0.00 N ATOM 796 CA GLY A 56 -1.503 -9.751 -10.514 1.00 0.00 C ATOM 797 C GLY A 56 -0.089 -9.461 -10.977 1.00 0.00 C ATOM 798 O GLY A 56 0.264 -9.733 -12.124 1.00 0.00 O ATOM 0 H GLY A 56 -2.644 -8.892 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.498 -10.630 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.123 -9.992 -11.378 1.00 0.00 H new ATOM 802 N THR A 57 0.722 -8.906 -10.082 1.00 0.00 N ATOM 803 CA THR A 57 2.104 -8.576 -10.405 1.00 0.00 C ATOM 804 C THR A 57 3.037 -8.943 -9.256 1.00 0.00 C ATOM 805 O THR A 57 2.686 -9.741 -8.387 1.00 0.00 O ATOM 806 CB THR A 57 2.235 -7.087 -10.721 1.00 0.00 C ATOM 807 OG1 THR A 57 0.974 -6.448 -10.643 1.00 0.00 O ATOM 808 CG2 THR A 57 2.803 -6.814 -12.097 1.00 0.00 C ATOM 0 H THR A 57 0.445 -8.676 -9.128 1.00 0.00 H new ATOM 0 HA THR A 57 2.391 -9.156 -11.283 1.00 0.00 H new ATOM 0 HB THR A 57 2.926 -6.693 -9.976 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.403 -6.761 -11.375 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.869 -5.738 -12.256 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.797 -7.254 -12.174 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.152 -7.253 -12.853 1.00 0.00 H new ATOM 816 N ALA A 58 4.226 -8.353 -9.262 1.00 0.00 N ATOM 817 CA ALA A 58 5.218 -8.612 -8.226 1.00 0.00 C ATOM 818 C ALA A 58 4.784 -8.035 -6.883 1.00 0.00 C ATOM 819 O ALA A 58 4.598 -8.767 -5.912 1.00 0.00 O ATOM 820 CB ALA A 58 6.562 -8.034 -8.637 1.00 0.00 C ATOM 0 H ALA A 58 4.527 -7.690 -9.976 1.00 0.00 H new ATOM 0 HA ALA A 58 5.311 -9.692 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.297 -8.232 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.888 -8.497 -9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.467 -6.958 -8.781 1.00 0.00 H new ATOM 826 N GLU A 59 4.633 -6.717 -6.829 1.00 0.00 N ATOM 827 CA GLU A 59 4.229 -6.049 -5.598 1.00 0.00 C ATOM 828 C GLU A 59 2.998 -6.715 -4.987 1.00 0.00 C ATOM 829 O GLU A 59 3.109 -7.469 -4.021 1.00 0.00 O ATOM 830 CB GLU A 59 3.956 -4.565 -5.857 1.00 0.00 C ATOM 831 CG GLU A 59 4.483 -3.653 -4.763 1.00 0.00 C ATOM 832 CD GLU A 59 5.101 -2.381 -5.312 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.691 -1.949 -6.409 1.00 0.00 O ATOM 834 OE2 GLU A 59 5.994 -1.819 -4.644 1.00 0.00 O ATOM 0 H GLU A 59 4.784 -6.092 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 59 5.050 -6.136 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.410 -4.280 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.881 -4.414 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.668 -3.394 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.227 -4.190 -4.175 1.00 0.00 H new ATOM 841 N PHE A 60 1.825 -6.426 -5.543 1.00 0.00 N ATOM 842 CA PHE A 60 0.583 -6.993 -5.035 1.00 0.00 C ATOM 843 C PHE A 60 0.742 -8.448 -4.613 1.00 0.00 C ATOM 844 O PHE A 60 0.775 -8.751 -3.426 1.00 0.00 O ATOM 845 CB PHE A 60 -0.526 -6.896 -6.073 1.00 0.00 C ATOM 846 CG PHE A 60 -1.867 -7.245 -5.503 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.354 -6.571 -4.396 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.633 -8.254 -6.062 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.581 -6.895 -3.855 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.864 -8.582 -5.526 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.337 -7.900 -4.420 1.00 0.00 C ATOM 0 H PHE A 60 1.710 -5.804 -6.343 1.00 0.00 H new ATOM 0 HA PHE A 60 0.317 -6.407 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.557 -5.884 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.302 -7.564 -6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.766 -5.782 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.265 -8.790 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.949 -6.362 -2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.455 -9.369 -5.970 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.298 -8.155 -3.999 1.00 0.00 H new ATOM 861 N THR A 61 0.813 -9.348 -5.591 1.00 0.00 N ATOM 862 CA THR A 61 0.939 -10.777 -5.314 1.00 0.00 C ATOM 863 C THR A 61 1.737 -11.032 -4.038 1.00 0.00 C ATOM 864 O THR A 61 1.432 -11.954 -3.282 1.00 0.00 O ATOM 865 CB THR A 61 1.593 -11.496 -6.495 1.00 0.00 C ATOM 866 OG1 THR A 61 1.242 -12.868 -6.503 1.00 0.00 O ATOM 867 CG2 THR A 61 3.100 -11.408 -6.488 1.00 0.00 C ATOM 0 H THR A 61 0.785 -9.113 -6.583 1.00 0.00 H new ATOM 0 HA THR A 61 -0.066 -11.173 -5.168 1.00 0.00 H new ATOM 0 HB THR A 61 1.221 -10.988 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.669 -13.310 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.499 -11.939 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.404 -10.362 -6.532 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.487 -11.860 -5.574 1.00 0.00 H new ATOM 875 N GLU A 62 2.755 -10.212 -3.800 1.00 0.00 N ATOM 876 CA GLU A 62 3.586 -10.357 -2.608 1.00 0.00 C ATOM 877 C GLU A 62 2.841 -9.891 -1.359 1.00 0.00 C ATOM 878 O GLU A 62 2.891 -10.540 -0.314 1.00 0.00 O ATOM 879 CB GLU A 62 4.884 -9.564 -2.763 1.00 0.00 C ATOM 880 CG GLU A 62 5.724 -9.991 -3.955 1.00 0.00 C ATOM 881 CD GLU A 62 6.859 -10.919 -3.567 1.00 0.00 C ATOM 882 OE1 GLU A 62 6.575 -12.008 -3.023 1.00 0.00 O ATOM 883 OE2 GLU A 62 8.030 -10.559 -3.806 1.00 0.00 O ATOM 0 H GLU A 62 3.025 -9.443 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 62 3.824 -11.414 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.643 -8.506 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.477 -9.673 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.086 -10.489 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.134 -9.106 -4.442 1.00 0.00 H new ATOM 890 N MET A 63 2.161 -8.757 -1.475 1.00 0.00 N ATOM 891 CA MET A 63 1.412 -8.184 -0.363 1.00 0.00 C ATOM 892 C MET A 63 -0.027 -8.693 -0.325 1.00 0.00 C ATOM 893 O MET A 63 -0.773 -8.385 0.604 1.00 0.00 O ATOM 894 CB MET A 63 1.406 -6.659 -0.469 1.00 0.00 C ATOM 895 CG MET A 63 0.759 -6.139 -1.743 1.00 0.00 C ATOM 896 SD MET A 63 1.885 -5.130 -2.727 1.00 0.00 S ATOM 897 CE MET A 63 2.732 -4.210 -1.443 1.00 0.00 C ATOM 0 H MET A 63 2.113 -8.212 -2.336 1.00 0.00 H new ATOM 0 HA MET A 63 1.906 -8.494 0.558 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.879 -6.246 0.391 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.432 -6.296 -0.419 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.414 -6.982 -2.342 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.121 -5.550 -1.485 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.969 -3.210 -1.807 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.089 -4.134 -0.566 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.654 -4.726 -1.174 1.00 0.00 H new ATOM 907 N CYS A 64 -0.420 -9.454 -1.338 1.00 0.00 N ATOM 908 CA CYS A 64 -1.779 -9.978 -1.407 1.00 0.00 C ATOM 909 C CYS A 64 -1.805 -11.369 -2.032 1.00 0.00 C ATOM 910 O CYS A 64 -1.986 -11.515 -3.241 1.00 0.00 O ATOM 911 CB CYS A 64 -2.662 -9.021 -2.215 1.00 0.00 C ATOM 912 SG CYS A 64 -4.295 -8.683 -1.476 1.00 0.00 S ATOM 0 H CYS A 64 0.179 -9.721 -2.119 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.166 -10.060 -0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.132 -8.077 -2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.809 -9.438 -3.212 1.00 0.00 H new ATOM 917 N PRO A 65 -1.628 -12.410 -1.206 1.00 0.00 N ATOM 918 CA PRO A 65 -1.635 -13.799 -1.669 1.00 0.00 C ATOM 919 C PRO A 65 -3.048 -14.318 -1.909 1.00 0.00 C ATOM 920 O PRO A 65 -3.242 -15.477 -2.273 1.00 0.00 O ATOM 921 CB PRO A 65 -0.977 -14.547 -0.513 1.00 0.00 C ATOM 922 CG PRO A 65 -1.328 -13.750 0.697 1.00 0.00 C ATOM 923 CD PRO A 65 -1.412 -12.313 0.248 1.00 0.00 C ATOM 0 HA PRO A 65 -1.123 -13.922 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.351 -15.568 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.103 -14.612 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.277 -14.081 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.574 -13.871 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.231 -11.788 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.498 -11.767 0.481 1.00 0.00 H new ATOM 931 N LYS A 66 -4.033 -13.449 -1.702 1.00 0.00 N ATOM 932 CA LYS A 66 -5.432 -13.814 -1.895 1.00 0.00 C ATOM 933 C LYS A 66 -5.988 -13.180 -3.166 1.00 0.00 C ATOM 934 O LYS A 66 -6.471 -13.876 -4.060 1.00 0.00 O ATOM 935 CB LYS A 66 -6.265 -13.381 -0.688 1.00 0.00 C ATOM 936 CG LYS A 66 -7.072 -14.510 -0.067 1.00 0.00 C ATOM 937 CD LYS A 66 -6.175 -15.499 0.660 1.00 0.00 C ATOM 938 CE LYS A 66 -5.947 -15.089 2.106 1.00 0.00 C ATOM 939 NZ LYS A 66 -5.958 -16.260 3.024 1.00 0.00 N ATOM 0 H LYS A 66 -3.887 -12.486 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.489 -14.898 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.602 -12.961 0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.945 -12.585 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.801 -14.097 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.633 -15.029 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.626 -16.491 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.217 -15.568 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.992 -14.571 2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.720 -14.383 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.799 -15.938 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.879 -16.740 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.204 -16.922 2.751 1.00 0.00 H new ATOM 953 N GLY A 67 -5.917 -11.855 -3.238 1.00 0.00 N ATOM 954 CA GLY A 67 -6.417 -11.148 -4.403 1.00 0.00 C ATOM 955 C GLY A 67 -7.057 -9.820 -4.045 1.00 0.00 C ATOM 956 O GLY A 67 -7.260 -9.519 -2.869 1.00 0.00 O ATOM 0 H GLY A 67 -5.522 -11.258 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.597 -10.976 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.147 -11.773 -4.918 1.00 0.00 H new ATOM 960 N LYS A 68 -7.373 -9.024 -5.061 1.00 0.00 N ATOM 961 CA LYS A 68 -7.994 -7.722 -4.848 1.00 0.00 C ATOM 962 C LYS A 68 -9.006 -7.782 -3.709 1.00 0.00 C ATOM 963 O LYS A 68 -9.793 -8.723 -3.613 1.00 0.00 O ATOM 964 CB LYS A 68 -8.678 -7.242 -6.129 1.00 0.00 C ATOM 965 CG LYS A 68 -9.122 -5.788 -6.074 1.00 0.00 C ATOM 966 CD LYS A 68 -9.840 -5.376 -7.348 1.00 0.00 C ATOM 967 CE LYS A 68 -10.532 -4.032 -7.189 1.00 0.00 C ATOM 968 NZ LYS A 68 -11.153 -3.572 -8.461 1.00 0.00 N ATOM 0 H LYS A 68 -7.209 -9.258 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.210 -7.014 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.994 -7.373 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.546 -7.871 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.782 -5.640 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.254 -5.147 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.125 -5.323 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.575 -6.135 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.298 -4.108 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.810 -3.290 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.614 -2.652 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.418 -3.475 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.861 -4.267 -8.773 1.00 0.00 H new ATOM 982 N GLY A 69 -8.980 -6.771 -2.846 1.00 0.00 N ATOM 983 CA GLY A 69 -9.900 -6.730 -1.725 1.00 0.00 C ATOM 984 C GLY A 69 -9.692 -7.881 -0.764 1.00 0.00 C ATOM 985 O GLY A 69 -10.453 -8.849 -0.767 1.00 0.00 O ATOM 0 H GLY A 69 -8.338 -5.980 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.776 -5.788 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.924 -6.752 -2.098 1.00 0.00 H new ATOM 989 N PHE A 70 -8.655 -7.778 0.057 1.00 0.00 N ATOM 990 CA PHE A 70 -8.341 -8.818 1.028 1.00 0.00 C ATOM 991 C PHE A 70 -9.158 -8.639 2.302 1.00 0.00 C ATOM 992 O PHE A 70 -9.826 -9.568 2.758 1.00 0.00 O ATOM 993 CB PHE A 70 -6.847 -8.804 1.354 1.00 0.00 C ATOM 994 CG PHE A 70 -6.506 -9.494 2.645 1.00 0.00 C ATOM 995 CD1 PHE A 70 -7.030 -10.742 2.938 1.00 0.00 C ATOM 996 CD2 PHE A 70 -5.661 -8.892 3.564 1.00 0.00 C ATOM 997 CE1 PHE A 70 -6.718 -11.379 4.124 1.00 0.00 C ATOM 998 CE2 PHE A 70 -5.345 -9.524 4.751 1.00 0.00 C ATOM 999 CZ PHE A 70 -5.874 -10.769 5.032 1.00 0.00 C ATOM 0 H PHE A 70 -8.016 -6.983 0.070 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.599 -9.782 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.302 -9.283 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.504 -7.771 1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.690 -11.223 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.245 -7.919 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.133 -12.352 4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.685 -9.045 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.628 -11.264 5.960 1.00 0.00 H new ATOM 1009 N VAL A 71 -9.099 -7.443 2.871 1.00 0.00 N ATOM 1010 CA VAL A 71 -9.837 -7.144 4.093 1.00 0.00 C ATOM 1011 C VAL A 71 -11.239 -6.630 3.768 1.00 0.00 C ATOM 1012 O VAL A 71 -12.230 -7.088 4.335 1.00 0.00 O ATOM 1013 CB VAL A 71 -9.067 -6.132 4.997 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -7.691 -5.824 4.424 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -9.850 -4.839 5.221 1.00 0.00 C ATOM 0 H VAL A 71 -8.549 -6.664 2.508 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.935 -8.073 4.654 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.945 -6.612 5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.176 -5.116 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.110 -6.744 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.800 -5.391 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.271 -4.168 5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.039 -4.357 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.799 -5.068 5.705 1.00 0.00 H new ATOM 1025 N PRO A 72 -11.326 -5.663 2.848 1.00 0.00 N ATOM 1026 CA PRO A 72 -12.575 -5.060 2.427 1.00 0.00 C ATOM 1027 C PRO A 72 -13.121 -5.695 1.152 1.00 0.00 C ATOM 1028 O PRO A 72 -12.688 -6.776 0.751 1.00 0.00 O ATOM 1029 CB PRO A 72 -12.159 -3.610 2.170 1.00 0.00 C ATOM 1030 CG PRO A 72 -10.678 -3.648 1.898 1.00 0.00 C ATOM 1031 CD PRO A 72 -10.203 -5.062 2.139 1.00 0.00 C ATOM 0 HA PRO A 72 -13.373 -5.179 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.701 -3.192 1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.382 -2.981 3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.470 -3.344 0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.151 -2.951 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.989 -5.582 1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.290 -5.086 2.733 1.00 0.00 H new ATOM 1039 N ALA A 73 -14.067 -5.015 0.515 1.00 0.00 N ATOM 1040 CA ALA A 73 -14.664 -5.509 -0.715 1.00 0.00 C ATOM 1041 C ALA A 73 -13.839 -5.090 -1.928 1.00 0.00 C ATOM 1042 O ALA A 73 -14.306 -5.163 -3.065 1.00 0.00 O ATOM 1043 CB ALA A 73 -16.095 -5.008 -0.847 1.00 0.00 C ATOM 0 H ALA A 73 -14.436 -4.119 0.832 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.677 -6.598 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.529 -5.386 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.684 -5.360 0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -16.099 -3.918 -0.863 1.00 0.00 H new ATOM 1049 N GLY A 74 -12.610 -4.650 -1.676 1.00 0.00 N ATOM 1050 CA GLY A 74 -11.738 -4.222 -2.755 1.00 0.00 C ATOM 1051 C GLY A 74 -11.778 -2.723 -2.965 1.00 0.00 C ATOM 1052 O GLY A 74 -12.010 -2.251 -4.078 1.00 0.00 O ATOM 0 H GLY A 74 -12.202 -4.582 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.715 -4.529 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.031 -4.724 -3.677 1.00 0.00 H new ATOM 1056 N GLU A 75 -11.552 -1.973 -1.891 1.00 0.00 N ATOM 1057 CA GLU A 75 -11.565 -0.517 -1.961 1.00 0.00 C ATOM 1058 C GLU A 75 -10.155 0.029 -2.158 1.00 0.00 C ATOM 1059 O GLU A 75 -9.879 1.147 -1.673 1.00 0.00 O ATOM 1060 CB GLU A 75 -12.178 0.070 -0.687 1.00 0.00 C ATOM 1061 CG GLU A 75 -11.659 -0.572 0.588 1.00 0.00 C ATOM 1062 CD GLU A 75 -11.219 0.450 1.619 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -11.972 1.419 1.852 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -10.123 0.281 2.192 1.00 0.00 O ATOM 1065 OXT GLU A 75 -9.338 -0.667 -2.796 1.00 0.00 O ATOM 0 H GLU A 75 -11.358 -2.349 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.173 -0.224 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.973 1.140 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.261 -0.046 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.438 -1.202 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.819 -1.224 0.346 1.00 0.00 H new TER 1072 GLU A 75