USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -143:sc= 0.0571 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.0559 USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -0.019 (180deg=-1.22) USER MOD Single : A 21 ASN : amide:sc= 0.476 K(o=0.48,f=-0.35) USER MOD Single : A 22 GLN : amide:sc= -3.92 K(o=-3.9,f=-13!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00126 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0343) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.21 K(o=-2.2,f=-5.7!) USER MOD Single : A 62 SER OG : rot 120:sc= -0.682 USER MOD Single : A 67 GLN : amide:sc= 0.264 K(o=0.26,f=-3.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.671 X(o=-0.67,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.648 1.202 -2.091 1.00 0.00 C ATOM 4 O LYS A 1 1.313 2.257 -1.553 1.00 0.00 O ATOM 5 CB LYS A 1 1.919 -1.342 -1.963 1.00 0.00 C ATOM 6 CG LYS A 1 3.138 -1.639 -2.839 1.00 0.00 C ATOM 7 CD LYS A 1 4.171 -2.472 -2.077 1.00 0.00 C ATOM 8 CE LYS A 1 3.668 -3.899 -1.854 1.00 0.00 C ATOM 9 NZ LYS A 1 4.729 -4.734 -1.248 1.00 0.00 N ATOM 0 H1 LYS A 1 1.939 -0.325 0.774 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.991 0.963 0.204 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.509 -0.639 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 1 3.139 0.109 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.791 -2.138 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 1 1.019 -1.328 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.824 -2.174 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.591 -0.704 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.107 -2.496 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.384 -2.003 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.793 -3.885 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.354 -4.333 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.371 -5.700 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.553 -4.762 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.010 -4.328 -0.332 1.00 0.00 H new ATOM 23 N SER A 2 1.675 1.003 -3.401 1.00 0.00 N ATOM 24 CA SER A 2 1.296 2.058 -4.326 1.00 0.00 C ATOM 25 C SER A 2 -0.228 2.146 -4.423 1.00 0.00 C ATOM 26 O SER A 2 -0.932 1.203 -4.066 1.00 0.00 O ATOM 27 CB SER A 2 1.904 1.821 -5.710 1.00 0.00 C ATOM 28 OG SER A 2 2.976 2.719 -5.983 1.00 0.00 O ATOM 0 H SER A 2 1.953 0.127 -3.844 1.00 0.00 H new ATOM 0 HA SER A 2 1.684 3.003 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.265 0.795 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.131 1.937 -6.470 1.00 0.00 H new ATOM 0 HG SER A 2 3.338 2.534 -6.875 1.00 0.00 H new ATOM 34 N PRO A 3 -0.705 3.318 -4.921 1.00 0.00 N ATOM 35 CA PRO A 3 -2.133 3.542 -5.070 1.00 0.00 C ATOM 36 C PRO A 3 -2.688 2.767 -6.267 1.00 0.00 C ATOM 37 O PRO A 3 -3.790 2.225 -6.204 1.00 0.00 O ATOM 38 CB PRO A 3 -2.282 5.047 -5.216 1.00 0.00 C ATOM 39 CG PRO A 3 -0.909 5.566 -5.608 1.00 0.00 C ATOM 40 CD PRO A 3 0.099 4.457 -5.354 1.00 0.00 C ATOM 0 HA PRO A 3 -2.707 3.179 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.024 5.294 -5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.618 5.498 -4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -0.897 5.859 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.656 6.452 -5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.665 4.222 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.821 4.745 -4.590 1.00 0.00 H new ATOM 48 N GLU A 4 -1.898 2.741 -7.331 1.00 0.00 N ATOM 49 CA GLU A 4 -2.296 2.042 -8.541 1.00 0.00 C ATOM 50 C GLU A 4 -2.518 0.557 -8.248 1.00 0.00 C ATOM 51 O GLU A 4 -3.368 -0.082 -8.866 1.00 0.00 O ATOM 52 CB GLU A 4 -1.260 2.233 -9.651 1.00 0.00 C ATOM 53 CG GLU A 4 -1.894 2.871 -10.889 1.00 0.00 C ATOM 54 CD GLU A 4 -2.176 1.820 -11.964 1.00 0.00 C ATOM 55 OE1 GLU A 4 -1.199 1.167 -12.390 1.00 0.00 O ATOM 56 OE2 GLU A 4 -3.363 1.692 -12.335 1.00 0.00 O ATOM 0 H GLU A 4 -0.985 3.193 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.237 2.468 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.446 2.862 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.824 1.270 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.822 3.370 -10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.229 3.636 -11.289 1.00 0.00 H new ATOM 63 N GLU A 5 -1.737 0.050 -7.305 1.00 0.00 N ATOM 64 CA GLU A 5 -1.837 -1.349 -6.922 1.00 0.00 C ATOM 65 C GLU A 5 -3.178 -1.616 -6.235 1.00 0.00 C ATOM 66 O GLU A 5 -3.744 -2.699 -6.372 1.00 0.00 O ATOM 67 CB GLU A 5 -0.669 -1.756 -6.022 1.00 0.00 C ATOM 68 CG GLU A 5 0.390 -2.526 -6.813 1.00 0.00 C ATOM 69 CD GLU A 5 1.072 -3.578 -5.936 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.364 -4.143 -5.074 1.00 0.00 O ATOM 71 OE2 GLU A 5 2.284 -3.794 -6.147 1.00 0.00 O ATOM 0 H GLU A 5 -1.032 0.583 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.786 -1.958 -7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.221 -0.867 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.035 -2.373 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.073 -3.009 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.136 -1.832 -7.201 1.00 0.00 H new ATOM 78 N LEU A 6 -3.647 -0.610 -5.512 1.00 0.00 N ATOM 79 CA LEU A 6 -4.910 -0.723 -4.803 1.00 0.00 C ATOM 80 C LEU A 6 -6.033 -0.982 -5.810 1.00 0.00 C ATOM 81 O LEU A 6 -6.897 -1.826 -5.578 1.00 0.00 O ATOM 82 CB LEU A 6 -5.144 0.507 -3.924 1.00 0.00 C ATOM 83 CG LEU A 6 -4.308 0.586 -2.645 1.00 0.00 C ATOM 84 CD1 LEU A 6 -4.345 1.997 -2.053 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.753 -0.472 -1.634 1.00 0.00 C ATOM 0 H LEU A 6 -3.175 0.287 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.889 -1.573 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.945 1.398 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.198 0.537 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.270 0.371 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.743 2.026 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.944 2.706 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.374 2.265 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.143 -0.395 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.800 -0.312 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.633 -1.464 -2.069 1.00 0.00 H new ATOM 97 N LYS A 7 -5.984 -0.240 -6.906 1.00 0.00 N ATOM 98 CA LYS A 7 -6.987 -0.379 -7.949 1.00 0.00 C ATOM 99 C LYS A 7 -6.859 -1.761 -8.593 1.00 0.00 C ATOM 100 O LYS A 7 -7.836 -2.502 -8.680 1.00 0.00 O ATOM 101 CB LYS A 7 -6.885 0.776 -8.947 1.00 0.00 C ATOM 102 CG LYS A 7 -8.273 1.234 -9.399 1.00 0.00 C ATOM 103 CD LYS A 7 -8.375 1.252 -10.925 1.00 0.00 C ATOM 104 CE LYS A 7 -9.650 1.964 -11.381 1.00 0.00 C ATOM 105 NZ LYS A 7 -9.338 2.973 -12.418 1.00 0.00 N ATOM 0 H LYS A 7 -5.266 0.459 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.989 -0.316 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.354 1.611 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.302 0.463 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.031 0.567 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.477 2.230 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.504 1.754 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.369 0.231 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.359 1.236 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.129 2.446 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.214 3.447 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.679 3.677 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.901 2.505 -13.238 1.00 0.00 H new ATOM 119 N GLY A 8 -5.645 -2.066 -9.027 1.00 0.00 N ATOM 120 CA GLY A 8 -5.376 -3.346 -9.661 1.00 0.00 C ATOM 121 C GLY A 8 -5.798 -4.505 -8.755 1.00 0.00 C ATOM 122 O GLY A 8 -6.633 -5.324 -9.137 1.00 0.00 O ATOM 0 H GLY A 8 -4.836 -1.449 -8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.912 -3.406 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.313 -3.427 -9.890 1.00 0.00 H new ATOM 126 N ILE A 9 -5.201 -4.537 -7.573 1.00 0.00 N ATOM 127 CA ILE A 9 -5.504 -5.582 -6.610 1.00 0.00 C ATOM 128 C ILE A 9 -7.015 -5.627 -6.371 1.00 0.00 C ATOM 129 O ILE A 9 -7.619 -6.698 -6.394 1.00 0.00 O ATOM 130 CB ILE A 9 -4.685 -5.388 -5.332 1.00 0.00 C ATOM 131 CG1 ILE A 9 -3.263 -5.924 -5.506 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.391 -6.014 -4.128 1.00 0.00 C ATOM 133 CD1 ILE A 9 -2.468 -5.800 -4.204 1.00 0.00 C ATOM 0 H ILE A 9 -4.509 -3.856 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.213 -6.557 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.604 -4.319 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.299 -6.968 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.757 -5.373 -6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.788 -5.862 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.365 -5.544 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.524 -7.082 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.461 -6.188 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.413 -4.752 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.963 -6.372 -3.419 1.00 0.00 H new ATOM 145 N PHE A 10 -7.582 -4.450 -6.147 1.00 0.00 N ATOM 146 CA PHE A 10 -9.010 -4.342 -5.904 1.00 0.00 C ATOM 147 C PHE A 10 -9.807 -5.064 -6.992 1.00 0.00 C ATOM 148 O PHE A 10 -10.631 -5.928 -6.693 1.00 0.00 O ATOM 149 CB PHE A 10 -9.358 -2.852 -5.938 1.00 0.00 C ATOM 150 CG PHE A 10 -10.824 -2.563 -6.264 1.00 0.00 C ATOM 151 CD1 PHE A 10 -11.229 -2.479 -7.560 1.00 0.00 C ATOM 152 CD2 PHE A 10 -11.723 -2.389 -5.259 1.00 0.00 C ATOM 153 CE1 PHE A 10 -12.590 -2.210 -7.863 1.00 0.00 C ATOM 154 CE2 PHE A 10 -13.084 -2.121 -5.561 1.00 0.00 C ATOM 155 CZ PHE A 10 -13.489 -2.037 -6.857 1.00 0.00 C ATOM 0 H PHE A 10 -7.078 -3.563 -6.129 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.260 -4.797 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.118 -2.411 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.728 -2.359 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.515 -2.617 -8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.401 -2.455 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.911 -2.143 -8.892 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.798 -1.984 -4.762 1.00 0.00 H new ATOM 0 HZ PHE A 10 -14.524 -1.833 -7.087 1.00 0.00 H new ATOM 165 N GLU A 11 -9.535 -4.685 -8.232 1.00 0.00 N ATOM 166 CA GLU A 11 -10.217 -5.285 -9.366 1.00 0.00 C ATOM 167 C GLU A 11 -9.922 -6.785 -9.428 1.00 0.00 C ATOM 168 O GLU A 11 -10.807 -7.583 -9.733 1.00 0.00 O ATOM 169 CB GLU A 11 -9.822 -4.594 -10.672 1.00 0.00 C ATOM 170 CG GLU A 11 -11.056 -4.087 -11.419 1.00 0.00 C ATOM 171 CD GLU A 11 -11.027 -4.522 -12.886 1.00 0.00 C ATOM 172 OE1 GLU A 11 -11.464 -5.663 -13.148 1.00 0.00 O ATOM 173 OE2 GLU A 11 -10.569 -3.703 -13.712 1.00 0.00 O ATOM 0 H GLU A 11 -8.851 -3.969 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.290 -5.150 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.154 -3.760 -10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.271 -5.290 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.958 -4.469 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.100 -3.000 -11.359 1.00 0.00 H new ATOM 180 N LYS A 12 -8.675 -7.124 -9.134 1.00 0.00 N ATOM 181 CA LYS A 12 -8.253 -8.514 -9.153 1.00 0.00 C ATOM 182 C LYS A 12 -9.137 -9.324 -8.202 1.00 0.00 C ATOM 183 O LYS A 12 -9.319 -10.526 -8.391 1.00 0.00 O ATOM 184 CB LYS A 12 -6.758 -8.624 -8.847 1.00 0.00 C ATOM 185 CG LYS A 12 -6.180 -9.929 -9.399 1.00 0.00 C ATOM 186 CD LYS A 12 -4.991 -10.401 -8.560 1.00 0.00 C ATOM 187 CE LYS A 12 -3.984 -11.169 -9.418 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.116 -12.626 -9.193 1.00 0.00 N ATOM 0 H LYS A 12 -7.943 -6.460 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.383 -8.938 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.231 -7.775 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.599 -8.579 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.952 -10.698 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.865 -9.783 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.502 -9.542 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.344 -11.038 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.147 -10.942 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.971 -10.848 -9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.425 -13.132 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.938 -12.840 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.077 -12.931 -9.447 1.00 0.00 H new ATOM 202 N TYR A 13 -9.662 -8.633 -7.201 1.00 0.00 N ATOM 203 CA TYR A 13 -10.522 -9.273 -6.221 1.00 0.00 C ATOM 204 C TYR A 13 -11.998 -9.093 -6.585 1.00 0.00 C ATOM 205 O TYR A 13 -12.773 -10.047 -6.540 1.00 0.00 O ATOM 206 CB TYR A 13 -10.247 -8.565 -4.893 1.00 0.00 C ATOM 207 CG TYR A 13 -9.139 -9.213 -4.060 1.00 0.00 C ATOM 208 CD1 TYR A 13 -7.832 -9.172 -4.499 1.00 0.00 C ATOM 209 CD2 TYR A 13 -9.448 -9.840 -2.869 1.00 0.00 C ATOM 210 CE1 TYR A 13 -6.789 -9.782 -3.715 1.00 0.00 C ATOM 211 CE2 TYR A 13 -8.405 -10.450 -2.085 1.00 0.00 C ATOM 212 CZ TYR A 13 -7.128 -10.391 -2.547 1.00 0.00 C ATOM 213 OH TYR A 13 -6.143 -10.967 -1.807 1.00 0.00 O ATOM 0 H TYR A 13 -9.508 -7.636 -7.048 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.320 -10.343 -6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.977 -7.528 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -11.165 -8.546 -4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.591 -8.682 -5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.471 -9.873 -2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.762 -9.756 -4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.632 -10.943 -1.151 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.302 -10.484 -1.950 1.00 0.00 H new ATOM 223 N ALA A 14 -12.341 -7.863 -6.938 1.00 0.00 N ATOM 224 CA ALA A 14 -13.710 -7.546 -7.309 1.00 0.00 C ATOM 225 C ALA A 14 -14.114 -8.390 -8.520 1.00 0.00 C ATOM 226 O ALA A 14 -15.300 -8.608 -8.761 1.00 0.00 O ATOM 227 CB ALA A 14 -13.831 -6.045 -7.579 1.00 0.00 C ATOM 0 H ALA A 14 -11.695 -7.074 -6.975 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.394 -7.788 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.858 -5.807 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.561 -5.491 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.161 -5.766 -8.392 1.00 0.00 H new ATOM 233 N ALA A 15 -13.104 -8.843 -9.249 1.00 0.00 N ATOM 234 CA ALA A 15 -13.339 -9.659 -10.428 1.00 0.00 C ATOM 235 C ALA A 15 -13.489 -11.122 -10.009 1.00 0.00 C ATOM 236 O ALA A 15 -14.083 -11.921 -10.732 1.00 0.00 O ATOM 237 CB ALA A 15 -12.199 -9.452 -11.427 1.00 0.00 C ATOM 0 H ALA A 15 -12.121 -8.660 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.264 -9.362 -10.922 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.375 -10.064 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.154 -8.402 -11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.255 -9.743 -10.967 1.00 0.00 H new ATOM 243 N LYS A 16 -12.941 -11.430 -8.843 1.00 0.00 N ATOM 244 CA LYS A 16 -13.006 -12.784 -8.319 1.00 0.00 C ATOM 245 C LYS A 16 -14.466 -13.238 -8.271 1.00 0.00 C ATOM 246 O LYS A 16 -14.855 -14.166 -8.978 1.00 0.00 O ATOM 247 CB LYS A 16 -12.291 -12.871 -6.969 1.00 0.00 C ATOM 248 CG LYS A 16 -11.295 -14.032 -6.950 1.00 0.00 C ATOM 249 CD LYS A 16 -10.838 -14.340 -5.523 1.00 0.00 C ATOM 250 CE LYS A 16 -10.517 -15.827 -5.358 1.00 0.00 C ATOM 251 NZ LYS A 16 -11.541 -16.487 -4.518 1.00 0.00 N ATOM 0 H LYS A 16 -12.450 -10.765 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.479 -13.473 -8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.768 -11.936 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.024 -13.003 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.756 -14.918 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.431 -13.785 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.956 -13.745 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.618 -14.052 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.475 -16.307 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.534 -15.945 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.709 -17.452 -4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.208 -16.529 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.427 -15.944 -4.560 1.00 0.00 H new ATOM 265 N GLU A 17 -15.236 -12.562 -7.431 1.00 0.00 N ATOM 266 CA GLU A 17 -16.645 -12.884 -7.282 1.00 0.00 C ATOM 267 C GLU A 17 -17.508 -11.684 -7.678 1.00 0.00 C ATOM 268 O GLU A 17 -17.284 -10.571 -7.206 1.00 0.00 O ATOM 269 CB GLU A 17 -16.956 -13.336 -5.854 1.00 0.00 C ATOM 270 CG GLU A 17 -16.396 -14.735 -5.588 1.00 0.00 C ATOM 271 CD GLU A 17 -17.445 -15.627 -4.921 1.00 0.00 C ATOM 272 OE1 GLU A 17 -17.679 -15.421 -3.711 1.00 0.00 O ATOM 273 OE2 GLU A 17 -17.988 -16.496 -5.637 1.00 0.00 O ATOM 0 H GLU A 17 -14.911 -11.792 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.881 -13.713 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.529 -12.628 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.034 -13.336 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.073 -15.186 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.515 -14.663 -4.950 1.00 0.00 H new ATOM 280 N GLY A 18 -18.477 -11.952 -8.541 1.00 0.00 N ATOM 281 CA GLY A 18 -19.375 -10.909 -9.006 1.00 0.00 C ATOM 282 C GLY A 18 -18.621 -9.864 -9.830 1.00 0.00 C ATOM 283 O GLY A 18 -17.412 -9.976 -10.026 1.00 0.00 O ATOM 0 H GLY A 18 -18.660 -12.877 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.169 -11.350 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.853 -10.429 -8.152 1.00 0.00 H new ATOM 287 N ASP A 19 -19.367 -8.870 -10.291 1.00 0.00 N ATOM 288 CA ASP A 19 -18.784 -7.805 -11.090 1.00 0.00 C ATOM 289 C ASP A 19 -17.696 -7.101 -10.277 1.00 0.00 C ATOM 290 O ASP A 19 -17.873 -6.846 -9.087 1.00 0.00 O ATOM 291 CB ASP A 19 -19.838 -6.764 -11.473 1.00 0.00 C ATOM 292 CG ASP A 19 -19.598 -6.064 -12.812 1.00 0.00 C ATOM 293 OD1 ASP A 19 -18.742 -5.154 -12.831 1.00 0.00 O ATOM 294 OD2 ASP A 19 -20.277 -6.455 -13.786 1.00 0.00 O ATOM 0 H ASP A 19 -20.370 -8.780 -10.126 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.371 -8.249 -11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -20.813 -7.250 -11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -19.883 -6.009 -10.688 1.00 0.00 H new ATOM 299 N PRO A 20 -16.566 -6.798 -10.970 1.00 0.00 N ATOM 300 CA PRO A 20 -15.450 -6.128 -10.325 1.00 0.00 C ATOM 301 C PRO A 20 -15.754 -4.644 -10.105 1.00 0.00 C ATOM 302 O PRO A 20 -14.931 -3.913 -9.557 1.00 0.00 O ATOM 303 CB PRO A 20 -14.265 -6.360 -11.248 1.00 0.00 C ATOM 304 CG PRO A 20 -14.855 -6.749 -12.594 1.00 0.00 C ATOM 305 CD PRO A 20 -16.322 -7.084 -12.380 1.00 0.00 C ATOM 0 HA PRO A 20 -15.244 -6.519 -9.328 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.655 -5.461 -11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.618 -7.148 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.750 -5.932 -13.307 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.325 -7.605 -13.010 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.964 -6.481 -13.023 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.528 -8.129 -12.613 1.00 0.00 H new ATOM 313 N ASN A 21 -16.938 -4.245 -10.544 1.00 0.00 N ATOM 314 CA ASN A 21 -17.361 -2.862 -10.401 1.00 0.00 C ATOM 315 C ASN A 21 -18.084 -2.689 -9.064 1.00 0.00 C ATOM 316 O ASN A 21 -18.444 -1.574 -8.689 1.00 0.00 O ATOM 317 CB ASN A 21 -18.330 -2.465 -11.517 1.00 0.00 C ATOM 318 CG ASN A 21 -17.576 -2.133 -12.806 1.00 0.00 C ATOM 319 OD1 ASN A 21 -16.686 -1.299 -12.838 1.00 0.00 O ATOM 320 ND2 ASN A 21 -17.980 -2.830 -13.864 1.00 0.00 N ATOM 0 H ASN A 21 -17.618 -4.854 -10.999 1.00 0.00 H new ATOM 0 HA ASN A 21 -16.474 -2.231 -10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -19.031 -3.279 -11.701 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.918 -1.603 -11.203 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.539 -2.681 -14.772 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.731 -3.513 -13.768 1.00 0.00 H new ATOM 327 N GLN A 22 -18.274 -3.808 -8.381 1.00 0.00 N ATOM 328 CA GLN A 22 -18.947 -3.795 -7.094 1.00 0.00 C ATOM 329 C GLN A 22 -18.341 -4.850 -6.167 1.00 0.00 C ATOM 330 O GLN A 22 -18.242 -6.020 -6.533 1.00 0.00 O ATOM 331 CB GLN A 22 -20.453 -4.011 -7.260 1.00 0.00 C ATOM 332 CG GLN A 22 -20.745 -4.959 -8.424 1.00 0.00 C ATOM 333 CD GLN A 22 -21.229 -4.187 -9.653 1.00 0.00 C ATOM 334 OE1 GLN A 22 -20.609 -3.237 -10.104 1.00 0.00 O ATOM 335 NE2 GLN A 22 -22.367 -4.644 -10.167 1.00 0.00 N ATOM 0 H GLN A 22 -17.973 -4.731 -8.695 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.802 -2.815 -6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -20.869 -4.421 -6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -20.944 -3.054 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -19.845 -5.521 -8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -21.501 -5.685 -8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -22.835 -5.444 -9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -22.772 -4.195 -10.988 1.00 0.00 H new ATOM 344 N LEU A 23 -17.950 -4.398 -4.984 1.00 0.00 N ATOM 345 CA LEU A 23 -17.356 -5.289 -4.001 1.00 0.00 C ATOM 346 C LEU A 23 -18.463 -5.902 -3.140 1.00 0.00 C ATOM 347 O LEU A 23 -19.524 -5.305 -2.970 1.00 0.00 O ATOM 348 CB LEU A 23 -16.283 -4.556 -3.194 1.00 0.00 C ATOM 349 CG LEU A 23 -14.954 -4.312 -3.911 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.950 -5.424 -3.600 1.00 0.00 C ATOM 351 CD2 LEU A 23 -15.167 -4.137 -5.416 1.00 0.00 C ATOM 0 H LEU A 23 -18.033 -3.427 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 23 -16.843 -6.114 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -16.686 -3.593 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -16.084 -5.128 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.530 -3.381 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.014 -5.226 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.766 -5.458 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.354 -6.381 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.207 -3.965 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.625 -5.037 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -15.822 -3.284 -5.594 1.00 0.00 H new ATOM 363 N SER A 24 -18.176 -7.086 -2.620 1.00 0.00 N ATOM 364 CA SER A 24 -19.133 -7.787 -1.781 1.00 0.00 C ATOM 365 C SER A 24 -18.488 -8.151 -0.442 1.00 0.00 C ATOM 366 O SER A 24 -17.265 -8.128 -0.312 1.00 0.00 O ATOM 367 CB SER A 24 -19.659 -9.044 -2.476 1.00 0.00 C ATOM 368 OG SER A 24 -20.123 -8.770 -3.795 1.00 0.00 O ATOM 0 H SER A 24 -17.294 -7.578 -2.763 1.00 0.00 H new ATOM 0 HA SER A 24 -19.979 -7.124 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.868 -9.793 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.471 -9.471 -1.887 1.00 0.00 H new ATOM 0 HG SER A 24 -20.449 -9.598 -4.206 1.00 0.00 H new ATOM 374 N LYS A 25 -19.338 -8.478 0.519 1.00 0.00 N ATOM 375 CA LYS A 25 -18.866 -8.846 1.843 1.00 0.00 C ATOM 376 C LYS A 25 -17.834 -9.969 1.717 1.00 0.00 C ATOM 377 O LYS A 25 -16.677 -9.799 2.098 1.00 0.00 O ATOM 378 CB LYS A 25 -20.045 -9.193 2.755 1.00 0.00 C ATOM 379 CG LYS A 25 -19.561 -9.572 4.156 1.00 0.00 C ATOM 380 CD LYS A 25 -20.433 -10.676 4.757 1.00 0.00 C ATOM 381 CE LYS A 25 -21.195 -10.167 5.982 1.00 0.00 C ATOM 382 NZ LYS A 25 -21.584 -11.295 6.857 1.00 0.00 N ATOM 0 H LYS A 25 -20.352 -8.496 0.408 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.364 -8.003 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.723 -8.342 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.611 -10.020 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.525 -9.907 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.583 -8.694 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.139 -11.035 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.809 -11.524 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.573 -9.465 6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.084 -9.623 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.100 -10.931 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.195 -11.950 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.731 -11.798 7.175 1.00 0.00 H new ATOM 396 N GLU A 26 -18.291 -11.092 1.182 1.00 0.00 N ATOM 397 CA GLU A 26 -17.422 -12.242 1.002 1.00 0.00 C ATOM 398 C GLU A 26 -16.184 -11.850 0.194 1.00 0.00 C ATOM 399 O GLU A 26 -15.079 -12.310 0.480 1.00 0.00 O ATOM 400 CB GLU A 26 -18.172 -13.396 0.332 1.00 0.00 C ATOM 401 CG GLU A 26 -18.220 -14.622 1.246 1.00 0.00 C ATOM 402 CD GLU A 26 -17.952 -15.905 0.457 1.00 0.00 C ATOM 403 OE1 GLU A 26 -16.787 -16.082 0.042 1.00 0.00 O ATOM 404 OE2 GLU A 26 -18.918 -16.680 0.288 1.00 0.00 O ATOM 0 H GLU A 26 -19.252 -11.230 0.868 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.097 -12.585 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -19.186 -13.081 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.683 -13.656 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.480 -14.518 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.196 -14.684 1.727 1.00 0.00 H new ATOM 411 N GLU A 27 -16.409 -11.005 -0.801 1.00 0.00 N ATOM 412 CA GLU A 27 -15.325 -10.546 -1.653 1.00 0.00 C ATOM 413 C GLU A 27 -14.307 -9.749 -0.834 1.00 0.00 C ATOM 414 O GLU A 27 -13.121 -10.075 -0.826 1.00 0.00 O ATOM 415 CB GLU A 27 -15.860 -9.715 -2.821 1.00 0.00 C ATOM 416 CG GLU A 27 -15.753 -10.487 -4.138 1.00 0.00 C ATOM 417 CD GLU A 27 -14.884 -9.733 -5.147 1.00 0.00 C ATOM 418 OE1 GLU A 27 -13.961 -9.028 -4.685 1.00 0.00 O ATOM 419 OE2 GLU A 27 -15.164 -9.878 -6.356 1.00 0.00 O ATOM 0 H GLU A 27 -17.326 -10.626 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.823 -11.419 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.900 -9.448 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.300 -8.783 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.328 -11.473 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.748 -10.642 -4.554 1.00 0.00 H new ATOM 426 N LEU A 28 -14.808 -8.721 -0.166 1.00 0.00 N ATOM 427 CA LEU A 28 -13.957 -7.875 0.654 1.00 0.00 C ATOM 428 C LEU A 28 -13.215 -8.741 1.673 1.00 0.00 C ATOM 429 O LEU A 28 -12.026 -8.540 1.916 1.00 0.00 O ATOM 430 CB LEU A 28 -14.773 -6.745 1.285 1.00 0.00 C ATOM 431 CG LEU A 28 -14.018 -5.442 1.554 1.00 0.00 C ATOM 432 CD1 LEU A 28 -12.942 -5.203 0.493 1.00 0.00 C ATOM 433 CD2 LEU A 28 -14.985 -4.261 1.666 1.00 0.00 C ATOM 0 H LEU A 28 -15.792 -8.454 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.201 -7.386 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.617 -6.524 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.185 -7.104 2.228 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.509 -5.534 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.420 -4.270 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.230 -6.028 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.408 -5.140 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.423 -3.347 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.541 -4.157 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.681 -4.437 2.486 1.00 0.00 H new ATOM 445 N LYS A 29 -13.948 -9.687 2.244 1.00 0.00 N ATOM 446 CA LYS A 29 -13.374 -10.584 3.232 1.00 0.00 C ATOM 447 C LYS A 29 -11.985 -11.028 2.766 1.00 0.00 C ATOM 448 O LYS A 29 -11.003 -10.862 3.488 1.00 0.00 O ATOM 449 CB LYS A 29 -14.327 -11.747 3.517 1.00 0.00 C ATOM 450 CG LYS A 29 -13.756 -12.672 4.594 1.00 0.00 C ATOM 451 CD LYS A 29 -14.876 -13.305 5.422 1.00 0.00 C ATOM 452 CE LYS A 29 -15.225 -14.699 4.897 1.00 0.00 C ATOM 453 NZ LYS A 29 -15.211 -15.687 5.999 1.00 0.00 N ATOM 0 H LYS A 29 -14.934 -9.851 2.041 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.242 -10.069 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.293 -11.359 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.501 -12.312 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.157 -13.454 4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.090 -12.108 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.568 -13.372 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.760 -12.669 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.209 -14.682 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.511 -14.993 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.450 -16.628 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.264 -15.715 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.909 -15.413 6.720 1.00 0.00 H new ATOM 467 N LEU A 30 -11.949 -11.582 1.563 1.00 0.00 N ATOM 468 CA LEU A 30 -10.697 -12.050 0.993 1.00 0.00 C ATOM 469 C LEU A 30 -9.673 -10.913 1.018 1.00 0.00 C ATOM 470 O LEU A 30 -8.607 -11.046 1.617 1.00 0.00 O ATOM 471 CB LEU A 30 -10.929 -12.637 -0.401 1.00 0.00 C ATOM 472 CG LEU A 30 -11.951 -13.773 -0.488 1.00 0.00 C ATOM 473 CD1 LEU A 30 -11.785 -14.561 -1.789 1.00 0.00 C ATOM 474 CD2 LEU A 30 -11.873 -14.677 0.744 1.00 0.00 C ATOM 0 H LEU A 30 -12.766 -11.717 0.968 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.287 -12.863 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.251 -11.833 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.976 -13.002 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.949 -13.334 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.523 -15.362 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.930 -13.894 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.783 -14.988 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.610 -15.476 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.875 -15.110 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.079 -14.090 1.639 1.00 0.00 H new ATOM 486 N LEU A 31 -10.033 -9.821 0.361 1.00 0.00 N ATOM 487 CA LEU A 31 -9.159 -8.661 0.300 1.00 0.00 C ATOM 488 C LEU A 31 -8.690 -8.308 1.713 1.00 0.00 C ATOM 489 O LEU A 31 -7.500 -8.389 2.014 1.00 0.00 O ATOM 490 CB LEU A 31 -9.851 -7.506 -0.425 1.00 0.00 C ATOM 491 CG LEU A 31 -8.929 -6.500 -1.117 1.00 0.00 C ATOM 492 CD1 LEU A 31 -9.042 -6.610 -2.639 1.00 0.00 C ATOM 493 CD2 LEU A 31 -9.201 -5.077 -0.624 1.00 0.00 C ATOM 0 H LEU A 31 -10.918 -9.714 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.268 -8.885 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.526 -7.924 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.467 -6.968 0.295 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.900 -6.742 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.377 -5.884 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.761 -7.615 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.069 -6.409 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.532 -4.382 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.235 -4.809 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.030 -5.025 0.451 1.00 0.00 H new ATOM 505 N LEU A 32 -9.649 -7.922 2.542 1.00 0.00 N ATOM 506 CA LEU A 32 -9.349 -7.556 3.915 1.00 0.00 C ATOM 507 C LEU A 32 -8.448 -8.625 4.538 1.00 0.00 C ATOM 508 O LEU A 32 -7.725 -8.351 5.495 1.00 0.00 O ATOM 509 CB LEU A 32 -10.640 -7.308 4.698 1.00 0.00 C ATOM 510 CG LEU A 32 -11.612 -6.299 4.084 1.00 0.00 C ATOM 511 CD1 LEU A 32 -13.018 -6.470 4.663 1.00 0.00 C ATOM 512 CD2 LEU A 32 -11.095 -4.868 4.249 1.00 0.00 C ATOM 0 H LEU A 32 -10.635 -7.855 2.289 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.798 -6.616 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.160 -8.259 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.375 -6.965 5.698 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.678 -6.496 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.689 -5.741 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.379 -7.476 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.989 -6.315 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.805 -4.171 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.981 -4.642 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.130 -4.770 3.752 1.00 0.00 H new ATOM 524 N GLN A 33 -8.521 -9.819 3.970 1.00 0.00 N ATOM 525 CA GLN A 33 -7.721 -10.930 4.458 1.00 0.00 C ATOM 526 C GLN A 33 -6.240 -10.689 4.160 1.00 0.00 C ATOM 527 O GLN A 33 -5.425 -10.598 5.077 1.00 0.00 O ATOM 528 CB GLN A 33 -8.193 -12.253 3.852 1.00 0.00 C ATOM 529 CG GLN A 33 -8.244 -13.355 4.913 1.00 0.00 C ATOM 530 CD GLN A 33 -8.481 -14.723 4.272 1.00 0.00 C ATOM 531 OE1 GLN A 33 -7.570 -15.382 3.799 1.00 0.00 O ATOM 532 NE2 GLN A 33 -9.753 -15.112 4.282 1.00 0.00 N ATOM 0 H GLN A 33 -9.122 -10.042 3.176 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.848 -10.997 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.181 -12.123 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.520 -12.549 3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.309 -13.369 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.040 -13.141 5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.467 -14.511 4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.015 -16.011 3.877 1.00 0.00 H new ATOM 541 N THR A 34 -5.936 -10.591 2.874 1.00 0.00 N ATOM 542 CA THR A 34 -4.567 -10.362 2.443 1.00 0.00 C ATOM 543 C THR A 34 -4.230 -8.871 2.508 1.00 0.00 C ATOM 544 O THR A 34 -3.207 -8.486 3.071 1.00 0.00 O ATOM 545 CB THR A 34 -4.404 -10.962 1.045 1.00 0.00 C ATOM 546 OG1 THR A 34 -3.701 -12.181 1.270 1.00 0.00 O ATOM 547 CG2 THR A 34 -3.459 -10.143 0.163 1.00 0.00 C ATOM 0 H THR A 34 -6.615 -10.666 2.116 1.00 0.00 H new ATOM 0 HA THR A 34 -3.856 -10.853 3.107 1.00 0.00 H new ATOM 0 HB THR A 34 -5.380 -11.032 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.554 -12.637 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.379 -10.612 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.851 -9.132 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.474 -10.101 0.627 1.00 0.00 H new ATOM 555 N GLU A 35 -5.111 -8.072 1.924 1.00 0.00 N ATOM 556 CA GLU A 35 -4.920 -6.632 1.907 1.00 0.00 C ATOM 557 C GLU A 35 -4.543 -6.131 3.303 1.00 0.00 C ATOM 558 O GLU A 35 -3.472 -5.557 3.492 1.00 0.00 O ATOM 559 CB GLU A 35 -6.171 -5.919 1.388 1.00 0.00 C ATOM 560 CG GLU A 35 -6.060 -4.406 1.584 1.00 0.00 C ATOM 561 CD GLU A 35 -4.999 -3.809 0.657 1.00 0.00 C ATOM 562 OE1 GLU A 35 -5.220 -3.870 -0.572 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.991 -3.305 1.198 1.00 0.00 O ATOM 0 H GLU A 35 -5.959 -8.395 1.459 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.101 -6.401 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.309 -6.143 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.051 -6.294 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.025 -3.939 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.806 -4.188 2.621 1.00 0.00 H new ATOM 570 N PHE A 36 -5.444 -6.367 4.245 1.00 0.00 N ATOM 571 CA PHE A 36 -5.219 -5.946 5.618 1.00 0.00 C ATOM 572 C PHE A 36 -5.949 -6.866 6.599 1.00 0.00 C ATOM 573 O PHE A 36 -7.100 -6.615 6.952 1.00 0.00 O ATOM 574 CB PHE A 36 -5.782 -4.530 5.750 1.00 0.00 C ATOM 575 CG PHE A 36 -4.927 -3.455 5.075 1.00 0.00 C ATOM 576 CD1 PHE A 36 -3.582 -3.432 5.275 1.00 0.00 C ATOM 577 CD2 PHE A 36 -5.512 -2.523 4.276 1.00 0.00 C ATOM 578 CE1 PHE A 36 -2.789 -2.434 4.649 1.00 0.00 C ATOM 579 CE2 PHE A 36 -4.719 -1.526 3.650 1.00 0.00 C ATOM 580 CZ PHE A 36 -3.374 -1.502 3.850 1.00 0.00 C ATOM 0 H PHE A 36 -6.331 -6.844 4.085 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.154 -5.983 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.783 -4.507 5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.884 -4.288 6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.117 -4.172 5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.580 -2.541 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.721 -2.415 4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.184 -0.786 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.771 -0.743 3.374 1.00 0.00 H new ATOM 590 N PRO A 37 -5.230 -7.940 7.023 1.00 0.00 N ATOM 591 CA PRO A 37 -5.796 -8.898 7.957 1.00 0.00 C ATOM 592 C PRO A 37 -5.839 -8.323 9.375 1.00 0.00 C ATOM 593 O PRO A 37 -6.661 -8.736 10.191 1.00 0.00 O ATOM 594 CB PRO A 37 -4.912 -10.129 7.842 1.00 0.00 C ATOM 595 CG PRO A 37 -3.619 -9.655 7.200 1.00 0.00 C ATOM 596 CD PRO A 37 -3.864 -8.269 6.627 1.00 0.00 C ATOM 0 HA PRO A 37 -6.833 -9.145 7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.724 -10.567 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.390 -10.898 7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.815 -9.627 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.308 -10.343 6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.152 -7.545 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.754 -8.264 5.543 1.00 0.00 H new ATOM 604 N SER A 38 -4.943 -7.379 9.623 1.00 0.00 N ATOM 605 CA SER A 38 -4.868 -6.743 10.927 1.00 0.00 C ATOM 606 C SER A 38 -6.134 -5.925 11.184 1.00 0.00 C ATOM 607 O SER A 38 -6.574 -5.796 12.326 1.00 0.00 O ATOM 608 CB SER A 38 -3.629 -5.852 11.035 1.00 0.00 C ATOM 609 OG SER A 38 -3.466 -5.022 9.888 1.00 0.00 O ATOM 0 H SER A 38 -4.263 -7.039 8.943 1.00 0.00 H new ATOM 0 HA SER A 38 -4.788 -7.523 11.684 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.708 -5.228 11.925 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.744 -6.476 11.160 1.00 0.00 H new ATOM 0 HG SER A 38 -2.665 -4.468 9.997 1.00 0.00 H new ATOM 615 N LEU A 39 -6.686 -5.392 10.103 1.00 0.00 N ATOM 616 CA LEU A 39 -7.893 -4.590 10.197 1.00 0.00 C ATOM 617 C LEU A 39 -9.065 -5.485 10.606 1.00 0.00 C ATOM 618 O LEU A 39 -10.060 -5.003 11.146 1.00 0.00 O ATOM 619 CB LEU A 39 -8.130 -3.823 8.894 1.00 0.00 C ATOM 620 CG LEU A 39 -8.043 -2.299 8.988 1.00 0.00 C ATOM 621 CD1 LEU A 39 -9.348 -1.707 9.525 1.00 0.00 C ATOM 622 CD2 LEU A 39 -6.834 -1.868 9.820 1.00 0.00 C ATOM 0 H LEU A 39 -6.319 -5.500 9.158 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.786 -3.831 10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.402 -4.164 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.117 -4.088 8.514 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.899 -1.903 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.259 -0.622 9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.169 -1.969 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.547 -2.107 10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.796 -0.780 9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.922 -2.275 10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.921 -2.241 9.356 1.00 0.00 H new ATOM 634 N LEU A 40 -8.908 -6.772 10.333 1.00 0.00 N ATOM 635 CA LEU A 40 -9.941 -7.738 10.666 1.00 0.00 C ATOM 636 C LEU A 40 -9.928 -7.993 12.175 1.00 0.00 C ATOM 637 O LEU A 40 -10.956 -8.331 12.759 1.00 0.00 O ATOM 638 CB LEU A 40 -9.777 -9.007 9.827 1.00 0.00 C ATOM 639 CG LEU A 40 -10.027 -8.855 8.325 1.00 0.00 C ATOM 640 CD1 LEU A 40 -9.450 -10.042 7.551 1.00 0.00 C ATOM 641 CD2 LEU A 40 -11.515 -8.650 8.035 1.00 0.00 C ATOM 0 H LEU A 40 -8.082 -7.168 9.885 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.926 -7.343 10.418 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.765 -9.385 9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.458 -9.765 10.214 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.506 -7.962 7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.641 -9.909 6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.375 -10.100 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.922 -10.963 7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.665 -8.545 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.078 -9.510 8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.863 -7.749 8.540 1.00 0.00 H new ATOM 653 N LYS A 41 -8.753 -7.820 12.762 1.00 0.00 N ATOM 654 CA LYS A 41 -8.593 -8.026 14.191 1.00 0.00 C ATOM 655 C LYS A 41 -9.327 -6.917 14.948 1.00 0.00 C ATOM 656 O LYS A 41 -9.820 -7.136 16.054 1.00 0.00 O ATOM 657 CB LYS A 41 -7.111 -8.141 14.554 1.00 0.00 C ATOM 658 CG LYS A 41 -6.538 -6.780 14.955 1.00 0.00 C ATOM 659 CD LYS A 41 -6.608 -6.582 16.471 1.00 0.00 C ATOM 660 CE LYS A 41 -5.616 -5.512 16.930 1.00 0.00 C ATOM 661 NZ LYS A 41 -4.243 -6.063 16.974 1.00 0.00 N ATOM 0 H LYS A 41 -7.903 -7.539 12.274 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.045 -8.971 14.492 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.988 -8.848 15.375 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.555 -8.538 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.503 -6.705 14.622 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.092 -5.986 14.455 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.619 -6.292 16.757 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.391 -7.524 16.975 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.651 -4.660 16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.899 -5.145 17.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.608 -5.377 17.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.242 -6.950 17.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.913 -6.250 16.006 1.00 0.00 H new ATOM 675 N GLY A 42 -9.378 -5.751 14.321 1.00 0.00 N ATOM 676 CA GLY A 42 -10.044 -4.607 14.922 1.00 0.00 C ATOM 677 C GLY A 42 -11.381 -5.015 15.542 1.00 0.00 C ATOM 678 O GLY A 42 -11.849 -6.134 15.338 1.00 0.00 O ATOM 0 H GLY A 42 -8.969 -5.573 13.403 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.403 -4.169 15.687 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.209 -3.839 14.166 1.00 0.00 H new ATOM 682 N MET A 43 -11.959 -4.085 16.288 1.00 0.00 N ATOM 683 CA MET A 43 -13.234 -4.334 16.940 1.00 0.00 C ATOM 684 C MET A 43 -14.377 -4.347 15.922 1.00 0.00 C ATOM 685 O MET A 43 -15.525 -4.612 16.276 1.00 0.00 O ATOM 686 CB MET A 43 -13.493 -3.247 17.985 1.00 0.00 C ATOM 687 CG MET A 43 -12.394 -3.236 19.049 1.00 0.00 C ATOM 688 SD MET A 43 -12.849 -2.145 20.386 1.00 0.00 S ATOM 689 CE MET A 43 -13.417 -3.342 21.582 1.00 0.00 C ATOM 0 H MET A 43 -11.568 -3.158 16.456 1.00 0.00 H new ATOM 0 HA MET A 43 -13.191 -5.311 17.422 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.542 -2.273 17.498 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.460 -3.416 18.458 1.00 0.00 H new ATOM 0 HG2 MET A 43 -12.235 -4.245 19.430 1.00 0.00 H new ATOM 0 HG3 MET A 43 -11.452 -2.910 18.607 1.00 0.00 H new ATOM 0 HE1 MET A 43 -13.741 -2.827 22.486 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.253 -3.904 21.165 1.00 0.00 H new ATOM 0 HE3 MET A 43 -12.605 -4.026 21.826 1.00 0.00 H new ATOM 699 N SER A 44 -14.023 -4.057 14.679 1.00 0.00 N ATOM 700 CA SER A 44 -15.004 -4.033 13.607 1.00 0.00 C ATOM 701 C SER A 44 -15.057 -5.395 12.914 1.00 0.00 C ATOM 702 O SER A 44 -14.229 -5.690 12.054 1.00 0.00 O ATOM 703 CB SER A 44 -14.684 -2.933 12.593 1.00 0.00 C ATOM 704 OG SER A 44 -14.725 -1.636 13.181 1.00 0.00 O ATOM 0 H SER A 44 -13.070 -3.836 14.390 1.00 0.00 H new ATOM 0 HA SER A 44 -15.980 -3.817 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.695 -3.108 12.169 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.397 -2.980 11.770 1.00 0.00 H new ATOM 0 HG SER A 44 -14.514 -0.962 12.502 1.00 0.00 H new ATOM 710 N THR A 45 -16.038 -6.190 13.315 1.00 0.00 N ATOM 711 CA THR A 45 -16.209 -7.515 12.743 1.00 0.00 C ATOM 712 C THR A 45 -16.516 -7.414 11.248 1.00 0.00 C ATOM 713 O THR A 45 -16.762 -6.325 10.733 1.00 0.00 O ATOM 714 CB THR A 45 -17.299 -8.236 13.539 1.00 0.00 C ATOM 715 OG1 THR A 45 -18.433 -7.382 13.429 1.00 0.00 O ATOM 716 CG2 THR A 45 -17.002 -8.269 15.040 1.00 0.00 C ATOM 0 H THR A 45 -16.723 -5.942 14.029 1.00 0.00 H new ATOM 0 HA THR A 45 -15.292 -8.099 12.816 1.00 0.00 H new ATOM 0 HB THR A 45 -17.406 -9.255 13.167 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.187 -7.775 13.916 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.806 -8.792 15.559 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.060 -8.789 15.213 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.928 -7.250 15.419 1.00 0.00 H new ATOM 724 N LEU A 46 -16.490 -8.566 10.592 1.00 0.00 N ATOM 725 CA LEU A 46 -16.762 -8.621 9.166 1.00 0.00 C ATOM 726 C LEU A 46 -18.074 -7.891 8.873 1.00 0.00 C ATOM 727 O LEU A 46 -18.079 -6.863 8.197 1.00 0.00 O ATOM 728 CB LEU A 46 -16.740 -10.069 8.672 1.00 0.00 C ATOM 729 CG LEU A 46 -16.328 -10.274 7.213 1.00 0.00 C ATOM 730 CD1 LEU A 46 -17.506 -10.022 6.270 1.00 0.00 C ATOM 731 CD2 LEU A 46 -15.115 -9.411 6.860 1.00 0.00 C ATOM 0 H LEU A 46 -16.285 -9.468 11.022 1.00 0.00 H new ATOM 0 HA LEU A 46 -15.979 -8.106 8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -16.058 -10.637 9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -17.734 -10.495 8.811 1.00 0.00 H new ATOM 0 HG LEU A 46 -16.031 -11.315 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -17.186 -10.174 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -18.315 -10.714 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -17.858 -8.998 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.842 -9.575 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.361 -8.360 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.276 -9.682 7.501 1.00 0.00 H new ATOM 743 N ASP A 47 -19.155 -8.451 9.395 1.00 0.00 N ATOM 744 CA ASP A 47 -20.471 -7.866 9.197 1.00 0.00 C ATOM 745 C ASP A 47 -20.390 -6.354 9.419 1.00 0.00 C ATOM 746 O ASP A 47 -20.829 -5.575 8.574 1.00 0.00 O ATOM 747 CB ASP A 47 -21.482 -8.437 10.193 1.00 0.00 C ATOM 748 CG ASP A 47 -22.881 -8.683 9.624 1.00 0.00 C ATOM 749 OD1 ASP A 47 -23.274 -7.905 8.728 1.00 0.00 O ATOM 750 OD2 ASP A 47 -23.525 -9.644 10.098 1.00 0.00 O ATOM 0 H ASP A 47 -19.147 -9.304 9.955 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.795 -8.097 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -21.094 -9.378 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.565 -7.752 11.037 1.00 0.00 H new ATOM 755 N GLU A 48 -19.827 -5.985 10.560 1.00 0.00 N ATOM 756 CA GLU A 48 -19.684 -4.580 10.904 1.00 0.00 C ATOM 757 C GLU A 48 -18.946 -3.834 9.790 1.00 0.00 C ATOM 758 O GLU A 48 -19.368 -2.755 9.376 1.00 0.00 O ATOM 759 CB GLU A 48 -18.965 -4.414 12.244 1.00 0.00 C ATOM 760 CG GLU A 48 -19.919 -3.885 13.316 1.00 0.00 C ATOM 761 CD GLU A 48 -19.166 -3.062 14.363 1.00 0.00 C ATOM 762 OE1 GLU A 48 -18.347 -3.673 15.083 1.00 0.00 O ATOM 763 OE2 GLU A 48 -19.425 -1.841 14.420 1.00 0.00 O ATOM 0 H GLU A 48 -19.464 -6.634 11.258 1.00 0.00 H new ATOM 0 HA GLU A 48 -20.679 -4.148 11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.552 -5.372 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -18.126 -3.728 12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -20.690 -3.270 12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.426 -4.720 13.800 1.00 0.00 H new ATOM 770 N LEU A 49 -17.858 -4.439 9.336 1.00 0.00 N ATOM 771 CA LEU A 49 -17.058 -3.845 8.278 1.00 0.00 C ATOM 772 C LEU A 49 -17.911 -3.708 7.016 1.00 0.00 C ATOM 773 O LEU A 49 -17.874 -2.677 6.346 1.00 0.00 O ATOM 774 CB LEU A 49 -15.771 -4.644 8.068 1.00 0.00 C ATOM 775 CG LEU A 49 -14.494 -3.822 7.881 1.00 0.00 C ATOM 776 CD1 LEU A 49 -13.830 -3.525 9.227 1.00 0.00 C ATOM 777 CD2 LEU A 49 -13.535 -4.511 6.908 1.00 0.00 C ATOM 0 H LEU A 49 -17.512 -5.334 9.681 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.740 -2.841 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.633 -5.304 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.901 -5.281 7.193 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.767 -2.864 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.925 -2.940 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.519 -2.961 9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.573 -4.462 9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.636 -3.906 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.264 -5.492 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.021 -4.627 5.939 1.00 0.00 H new ATOM 789 N PHE A 50 -18.659 -4.763 6.728 1.00 0.00 N ATOM 790 CA PHE A 50 -19.520 -4.774 5.558 1.00 0.00 C ATOM 791 C PHE A 50 -20.534 -3.629 5.612 1.00 0.00 C ATOM 792 O PHE A 50 -20.667 -2.868 4.655 1.00 0.00 O ATOM 793 CB PHE A 50 -20.272 -6.106 5.568 1.00 0.00 C ATOM 794 CG PHE A 50 -21.090 -6.369 4.301 1.00 0.00 C ATOM 795 CD1 PHE A 50 -20.591 -6.019 3.085 1.00 0.00 C ATOM 796 CD2 PHE A 50 -22.315 -6.952 4.392 1.00 0.00 C ATOM 797 CE1 PHE A 50 -21.350 -6.263 1.910 1.00 0.00 C ATOM 798 CE2 PHE A 50 -23.074 -7.195 3.217 1.00 0.00 C ATOM 799 CZ PHE A 50 -22.575 -6.846 2.001 1.00 0.00 C ATOM 0 H PHE A 50 -18.686 -5.617 7.285 1.00 0.00 H new ATOM 0 HA PHE A 50 -18.922 -4.651 4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -19.554 -6.916 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -20.939 -6.128 6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -19.618 -5.556 3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -22.710 -7.230 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -20.954 -5.986 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -24.048 -7.657 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 50 -23.152 -7.032 1.107 1.00 0.00 H new ATOM 809 N GLU A 51 -21.222 -3.544 6.741 1.00 0.00 N ATOM 810 CA GLU A 51 -22.220 -2.505 6.932 1.00 0.00 C ATOM 811 C GLU A 51 -21.554 -1.128 6.957 1.00 0.00 C ATOM 812 O GLU A 51 -22.014 -0.199 6.295 1.00 0.00 O ATOM 813 CB GLU A 51 -23.026 -2.747 8.210 1.00 0.00 C ATOM 814 CG GLU A 51 -24.497 -3.015 7.887 1.00 0.00 C ATOM 815 CD GLU A 51 -25.371 -2.845 9.131 1.00 0.00 C ATOM 816 OE1 GLU A 51 -25.031 -3.476 10.155 1.00 0.00 O ATOM 817 OE2 GLU A 51 -26.360 -2.086 9.031 1.00 0.00 O ATOM 0 H GLU A 51 -21.108 -4.177 7.533 1.00 0.00 H new ATOM 0 HA GLU A 51 -22.914 -2.537 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -22.609 -3.595 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.946 -1.879 8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -24.832 -2.332 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.609 -4.026 7.495 1.00 0.00 H new ATOM 824 N GLU A 52 -20.480 -1.039 7.728 1.00 0.00 N ATOM 825 CA GLU A 52 -19.746 0.209 7.848 1.00 0.00 C ATOM 826 C GLU A 52 -19.227 0.654 6.479 1.00 0.00 C ATOM 827 O GLU A 52 -19.535 1.753 6.021 1.00 0.00 O ATOM 828 CB GLU A 52 -18.599 0.077 8.853 1.00 0.00 C ATOM 829 CG GLU A 52 -18.255 1.432 9.474 1.00 0.00 C ATOM 830 CD GLU A 52 -16.961 1.350 10.286 1.00 0.00 C ATOM 831 OE1 GLU A 52 -17.041 0.861 11.434 1.00 0.00 O ATOM 832 OE2 GLU A 52 -15.921 1.779 9.741 1.00 0.00 O ATOM 0 H GLU A 52 -20.101 -1.811 8.276 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.427 0.973 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.878 -0.626 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.720 -0.333 8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.149 2.180 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.072 1.759 10.117 1.00 0.00 H new ATOM 839 N LEU A 53 -18.447 -0.224 5.864 1.00 0.00 N ATOM 840 CA LEU A 53 -17.882 0.064 4.557 1.00 0.00 C ATOM 841 C LEU A 53 -18.997 0.525 3.615 1.00 0.00 C ATOM 842 O LEU A 53 -18.893 1.581 2.994 1.00 0.00 O ATOM 843 CB LEU A 53 -17.095 -1.140 4.036 1.00 0.00 C ATOM 844 CG LEU A 53 -15.916 -1.594 4.899 1.00 0.00 C ATOM 845 CD1 LEU A 53 -15.684 -3.100 4.761 1.00 0.00 C ATOM 846 CD2 LEU A 53 -14.656 -0.788 4.574 1.00 0.00 C ATOM 0 H LEU A 53 -18.193 -1.135 6.247 1.00 0.00 H new ATOM 0 HA LEU A 53 -17.163 0.880 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -17.783 -1.978 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -16.721 -0.901 3.041 1.00 0.00 H new ATOM 0 HG LEU A 53 -16.162 -1.400 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.841 -3.397 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -16.578 -3.637 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.468 -3.341 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.833 -1.131 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.395 -0.928 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.841 0.269 4.764 1.00 0.00 H new ATOM 858 N ASP A 54 -20.037 -0.292 3.538 1.00 0.00 N ATOM 859 CA ASP A 54 -21.170 0.018 2.682 1.00 0.00 C ATOM 860 C ASP A 54 -21.939 1.202 3.271 1.00 0.00 C ATOM 861 O ASP A 54 -23.089 1.057 3.685 1.00 0.00 O ATOM 862 CB ASP A 54 -22.130 -1.169 2.587 1.00 0.00 C ATOM 863 CG ASP A 54 -23.030 -1.176 1.350 1.00 0.00 C ATOM 864 OD1 ASP A 54 -23.347 -0.065 0.873 1.00 0.00 O ATOM 865 OD2 ASP A 54 -23.381 -2.292 0.909 1.00 0.00 O ATOM 0 H ASP A 54 -20.119 -1.168 4.054 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.788 0.253 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.547 -2.090 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.760 -1.179 3.476 1.00 0.00 H new ATOM 870 N LYS A 55 -21.275 2.349 3.289 1.00 0.00 N ATOM 871 CA LYS A 55 -21.882 3.557 3.820 1.00 0.00 C ATOM 872 C LYS A 55 -22.731 4.217 2.732 1.00 0.00 C ATOM 873 O LYS A 55 -23.330 5.267 2.958 1.00 0.00 O ATOM 874 CB LYS A 55 -20.813 4.479 4.410 1.00 0.00 C ATOM 875 CG LYS A 55 -21.347 5.226 5.634 1.00 0.00 C ATOM 876 CD LYS A 55 -20.241 6.044 6.303 1.00 0.00 C ATOM 877 CE LYS A 55 -20.429 7.539 6.041 1.00 0.00 C ATOM 878 NZ LYS A 55 -19.193 8.126 5.476 1.00 0.00 N ATOM 0 H LYS A 55 -20.322 2.467 2.944 1.00 0.00 H new ATOM 0 HA LYS A 55 -22.552 3.315 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.937 3.894 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -20.489 5.195 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -22.162 5.886 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -21.760 4.513 6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.244 5.856 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.269 5.725 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.259 7.692 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.688 8.047 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.338 9.141 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.409 7.997 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.962 7.653 4.579 1.00 0.00 H new ATOM 892 N ASN A 56 -22.756 3.573 1.574 1.00 0.00 N ATOM 893 CA ASN A 56 -23.521 4.085 0.450 1.00 0.00 C ATOM 894 C ASN A 56 -24.930 3.489 0.485 1.00 0.00 C ATOM 895 O ASN A 56 -25.743 3.755 -0.399 1.00 0.00 O ATOM 896 CB ASN A 56 -22.875 3.693 -0.881 1.00 0.00 C ATOM 897 CG ASN A 56 -23.592 4.360 -2.056 1.00 0.00 C ATOM 898 OD1 ASN A 56 -24.218 3.716 -2.882 1.00 0.00 O ATOM 899 ND2 ASN A 56 -23.466 5.684 -2.085 1.00 0.00 N ATOM 0 H ASN A 56 -22.259 2.702 1.390 1.00 0.00 H new ATOM 0 HA ASN A 56 -23.551 5.172 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -21.825 3.984 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -22.906 2.610 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -23.908 6.222 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -22.928 6.161 -1.362 1.00 0.00 H new ATOM 906 N GLY A 57 -25.176 2.693 1.515 1.00 0.00 N ATOM 907 CA GLY A 57 -26.473 2.057 1.677 1.00 0.00 C ATOM 908 C GLY A 57 -27.049 1.635 0.324 1.00 0.00 C ATOM 909 O GLY A 57 -28.214 1.899 0.032 1.00 0.00 O ATOM 0 H GLY A 57 -24.499 2.474 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.376 1.185 2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -27.160 2.744 2.170 1.00 0.00 H new ATOM 913 N ASP A 58 -26.206 0.985 -0.465 1.00 0.00 N ATOM 914 CA ASP A 58 -26.616 0.523 -1.780 1.00 0.00 C ATOM 915 C ASP A 58 -26.744 -1.001 -1.764 1.00 0.00 C ATOM 916 O ASP A 58 -27.649 -1.559 -2.383 1.00 0.00 O ATOM 917 CB ASP A 58 -25.583 0.900 -2.844 1.00 0.00 C ATOM 918 CG ASP A 58 -24.124 0.745 -2.411 1.00 0.00 C ATOM 919 OD1 ASP A 58 -23.882 -0.095 -1.518 1.00 0.00 O ATOM 920 OD2 ASP A 58 -23.282 1.472 -2.982 1.00 0.00 O ATOM 0 H ASP A 58 -25.240 0.767 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 58 -27.569 0.994 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.752 0.284 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -25.750 1.935 -3.141 1.00 0.00 H new ATOM 925 N GLY A 59 -25.824 -1.632 -1.049 1.00 0.00 N ATOM 926 CA GLY A 59 -25.822 -3.082 -0.943 1.00 0.00 C ATOM 927 C GLY A 59 -24.532 -3.671 -1.517 1.00 0.00 C ATOM 928 O GLY A 59 -24.284 -4.870 -1.393 1.00 0.00 O ATOM 0 H GLY A 59 -25.075 -1.166 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -25.926 -3.374 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -26.681 -3.490 -1.475 1.00 0.00 H new ATOM 932 N GLU A 60 -23.743 -2.802 -2.131 1.00 0.00 N ATOM 933 CA GLU A 60 -22.485 -3.221 -2.723 1.00 0.00 C ATOM 934 C GLU A 60 -21.376 -2.226 -2.374 1.00 0.00 C ATOM 935 O GLU A 60 -21.629 -1.030 -2.245 1.00 0.00 O ATOM 936 CB GLU A 60 -22.619 -3.383 -4.239 1.00 0.00 C ATOM 937 CG GLU A 60 -22.972 -2.051 -4.903 1.00 0.00 C ATOM 938 CD GLU A 60 -23.879 -2.267 -6.117 1.00 0.00 C ATOM 939 OE1 GLU A 60 -24.993 -2.793 -5.907 1.00 0.00 O ATOM 940 OE2 GLU A 60 -23.437 -1.901 -7.228 1.00 0.00 O ATOM 0 H GLU A 60 -23.951 -1.809 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 60 -22.218 -4.193 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -21.684 -3.763 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -23.390 -4.121 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -23.471 -1.402 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -22.059 -1.542 -5.212 1.00 0.00 H new ATOM 947 N VAL A 61 -20.171 -2.758 -2.232 1.00 0.00 N ATOM 948 CA VAL A 61 -19.022 -1.932 -1.901 1.00 0.00 C ATOM 949 C VAL A 61 -18.268 -1.576 -3.184 1.00 0.00 C ATOM 950 O VAL A 61 -18.533 -2.145 -4.242 1.00 0.00 O ATOM 951 CB VAL A 61 -18.145 -2.644 -0.869 1.00 0.00 C ATOM 952 CG1 VAL A 61 -16.857 -1.861 -0.611 1.00 0.00 C ATOM 953 CG2 VAL A 61 -18.913 -2.881 0.433 1.00 0.00 C ATOM 0 H VAL A 61 -19.965 -3.751 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 61 -19.344 -0.996 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 61 -17.870 -3.616 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.252 -2.389 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -16.296 -1.767 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -17.104 -0.868 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -18.267 -3.388 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.232 -1.924 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.788 -3.499 0.232 1.00 0.00 H new ATOM 963 N SER A 62 -17.342 -0.638 -3.047 1.00 0.00 N ATOM 964 CA SER A 62 -16.548 -0.200 -4.182 1.00 0.00 C ATOM 965 C SER A 62 -15.394 0.683 -3.703 1.00 0.00 C ATOM 966 O SER A 62 -15.358 1.088 -2.542 1.00 0.00 O ATOM 967 CB SER A 62 -17.407 0.554 -5.198 1.00 0.00 C ATOM 968 OG SER A 62 -18.791 0.512 -4.863 1.00 0.00 O ATOM 0 H SER A 62 -17.124 -0.170 -2.168 1.00 0.00 H new ATOM 0 HA SER A 62 -16.142 -1.083 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.078 1.592 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.260 0.122 -6.188 1.00 0.00 H new ATOM 0 HG SER A 62 -19.123 1.424 -4.730 1.00 0.00 H new ATOM 974 N PHE A 63 -14.479 0.955 -4.622 1.00 0.00 N ATOM 975 CA PHE A 63 -13.326 1.783 -4.308 1.00 0.00 C ATOM 976 C PHE A 63 -13.752 3.067 -3.593 1.00 0.00 C ATOM 977 O PHE A 63 -13.047 3.553 -2.710 1.00 0.00 O ATOM 978 CB PHE A 63 -12.663 2.150 -5.637 1.00 0.00 C ATOM 979 CG PHE A 63 -11.309 2.846 -5.486 1.00 0.00 C ATOM 980 CD1 PHE A 63 -10.380 2.346 -4.628 1.00 0.00 C ATOM 981 CD2 PHE A 63 -11.035 3.964 -6.210 1.00 0.00 C ATOM 982 CE1 PHE A 63 -9.123 2.992 -4.488 1.00 0.00 C ATOM 983 CE2 PHE A 63 -9.778 4.610 -6.070 1.00 0.00 C ATOM 984 CZ PHE A 63 -8.849 4.110 -5.212 1.00 0.00 C ATOM 0 H PHE A 63 -14.512 0.617 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 63 -12.647 1.241 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.530 1.243 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -13.334 2.800 -6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.598 1.458 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.773 4.361 -6.891 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.385 2.595 -3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.560 5.498 -6.645 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.893 4.601 -5.106 1.00 0.00 H new ATOM 994 N GLU A 64 -14.903 3.580 -4.001 1.00 0.00 N ATOM 995 CA GLU A 64 -15.431 4.798 -3.411 1.00 0.00 C ATOM 996 C GLU A 64 -15.579 4.633 -1.897 1.00 0.00 C ATOM 997 O GLU A 64 -15.051 5.435 -1.127 1.00 0.00 O ATOM 998 CB GLU A 64 -16.765 5.185 -4.053 1.00 0.00 C ATOM 999 CG GLU A 64 -17.611 3.945 -4.349 1.00 0.00 C ATOM 1000 CD GLU A 64 -19.025 4.098 -3.782 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -19.158 4.831 -2.779 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -19.940 3.478 -4.365 1.00 0.00 O ATOM 0 H GLU A 64 -15.485 3.174 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.725 5.607 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.313 5.853 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.582 5.734 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.662 3.784 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.135 3.064 -3.917 1.00 0.00 H new ATOM 1009 N GLU A 65 -16.299 3.588 -1.515 1.00 0.00 N ATOM 1010 CA GLU A 65 -16.523 3.308 -0.107 1.00 0.00 C ATOM 1011 C GLU A 65 -15.243 2.772 0.538 1.00 0.00 C ATOM 1012 O GLU A 65 -15.013 2.970 1.730 1.00 0.00 O ATOM 1013 CB GLU A 65 -17.682 2.328 0.080 1.00 0.00 C ATOM 1014 CG GLU A 65 -18.994 2.926 -0.434 1.00 0.00 C ATOM 1015 CD GLU A 65 -20.051 2.959 0.671 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -19.911 3.822 1.565 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -20.976 2.122 0.596 1.00 0.00 O ATOM 0 H GLU A 65 -16.735 2.925 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.795 4.240 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.468 1.401 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.782 2.075 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.817 3.936 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.361 2.338 -1.276 1.00 0.00 H new ATOM 1024 N PHE A 66 -14.442 2.103 -0.279 1.00 0.00 N ATOM 1025 CA PHE A 66 -13.191 1.537 0.196 1.00 0.00 C ATOM 1026 C PHE A 66 -12.274 2.626 0.755 1.00 0.00 C ATOM 1027 O PHE A 66 -11.578 2.409 1.746 1.00 0.00 O ATOM 1028 CB PHE A 66 -12.511 0.882 -1.008 1.00 0.00 C ATOM 1029 CG PHE A 66 -11.375 -0.074 -0.637 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -11.584 -1.052 0.285 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -10.158 0.054 -1.228 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -10.530 -1.940 0.629 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -9.104 -0.833 -0.884 1.00 0.00 C ATOM 1034 CZ PHE A 66 -9.312 -1.811 0.038 1.00 0.00 C ATOM 0 H PHE A 66 -14.635 1.940 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 66 -13.386 0.820 0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.259 0.335 -1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -12.117 1.663 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.551 -1.153 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.992 0.831 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.696 -2.718 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.137 -0.731 -1.354 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.510 -2.485 0.301 1.00 0.00 H new ATOM 1044 N GLN A 67 -12.302 3.775 0.095 1.00 0.00 N ATOM 1045 CA GLN A 67 -11.481 4.899 0.514 1.00 0.00 C ATOM 1046 C GLN A 67 -11.785 5.265 1.968 1.00 0.00 C ATOM 1047 O GLN A 67 -11.005 5.965 2.612 1.00 0.00 O ATOM 1048 CB GLN A 67 -11.687 6.102 -0.409 1.00 0.00 C ATOM 1049 CG GLN A 67 -11.286 5.764 -1.846 1.00 0.00 C ATOM 1050 CD GLN A 67 -10.321 6.811 -2.407 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -9.977 7.786 -1.758 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -9.905 6.556 -3.644 1.00 0.00 N ATOM 0 H GLN A 67 -12.880 3.952 -0.727 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.434 4.605 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.732 6.411 -0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.096 6.945 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.818 4.780 -1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.176 5.712 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.232 5.721 -4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.258 7.195 -4.107 1.00 0.00 H new ATOM 1061 N VAL A 68 -12.921 4.775 2.444 1.00 0.00 N ATOM 1062 CA VAL A 68 -13.337 5.042 3.810 1.00 0.00 C ATOM 1063 C VAL A 68 -12.508 4.185 4.768 1.00 0.00 C ATOM 1064 O VAL A 68 -12.174 4.623 5.868 1.00 0.00 O ATOM 1065 CB VAL A 68 -14.843 4.812 3.952 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -15.322 5.173 5.360 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -15.620 5.594 2.891 1.00 0.00 C ATOM 0 H VAL A 68 -13.566 4.195 1.908 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.155 6.085 4.068 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.036 3.751 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.396 5.001 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.803 4.553 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.109 6.223 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.688 5.413 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.417 6.659 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.309 5.268 1.898 1.00 0.00 H new ATOM 1077 N LEU A 69 -12.199 2.978 4.315 1.00 0.00 N ATOM 1078 CA LEU A 69 -11.416 2.056 5.119 1.00 0.00 C ATOM 1079 C LEU A 69 -9.942 2.462 5.063 1.00 0.00 C ATOM 1080 O LEU A 69 -9.203 2.264 6.026 1.00 0.00 O ATOM 1081 CB LEU A 69 -11.672 0.612 4.681 1.00 0.00 C ATOM 1082 CG LEU A 69 -11.483 -0.459 5.757 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -12.262 -0.105 7.025 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -11.856 -1.844 5.223 1.00 0.00 C ATOM 0 H LEU A 69 -12.477 2.618 3.402 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.723 2.108 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.692 0.543 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.008 0.383 3.848 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.427 -0.491 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.111 -0.882 7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.907 0.849 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.324 -0.029 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.713 -2.587 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.900 -1.844 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.221 -2.089 4.371 1.00 0.00 H new ATOM 1096 N VAL A 70 -9.559 3.024 3.926 1.00 0.00 N ATOM 1097 CA VAL A 70 -8.187 3.461 3.732 1.00 0.00 C ATOM 1098 C VAL A 70 -7.756 4.320 4.923 1.00 0.00 C ATOM 1099 O VAL A 70 -6.577 4.360 5.270 1.00 0.00 O ATOM 1100 CB VAL A 70 -8.053 4.187 2.392 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -6.894 5.185 2.422 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -7.888 3.190 1.243 1.00 0.00 C ATOM 0 H VAL A 70 -10.175 3.187 3.130 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.516 2.603 3.690 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.972 4.747 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.821 5.687 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.071 5.924 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.963 4.656 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.795 3.732 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.992 2.591 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.759 2.536 1.201 1.00 0.00 H new ATOM 1112 N LYS A 71 -8.736 4.986 5.516 1.00 0.00 N ATOM 1113 CA LYS A 71 -8.473 5.842 6.660 1.00 0.00 C ATOM 1114 C LYS A 71 -8.145 4.974 7.876 1.00 0.00 C ATOM 1115 O LYS A 71 -7.188 5.248 8.599 1.00 0.00 O ATOM 1116 CB LYS A 71 -9.640 6.804 6.889 1.00 0.00 C ATOM 1117 CG LYS A 71 -9.136 8.224 7.156 1.00 0.00 C ATOM 1118 CD LYS A 71 -9.735 8.784 8.448 1.00 0.00 C ATOM 1119 CE LYS A 71 -9.000 8.238 9.675 1.00 0.00 C ATOM 1120 NZ LYS A 71 -9.966 7.846 10.725 1.00 0.00 N ATOM 0 H LYS A 71 -9.713 4.950 5.226 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.603 6.471 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.293 6.804 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.238 6.462 7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.048 8.220 7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.399 8.871 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.676 9.872 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.792 8.523 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.394 7.378 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.318 8.994 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.451 7.478 11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.526 8.675 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.600 7.109 10.356 1.00 0.00 H new ATOM 1134 N LYS A 72 -8.957 3.944 8.065 1.00 0.00 N ATOM 1135 CA LYS A 72 -8.764 3.034 9.181 1.00 0.00 C ATOM 1136 C LYS A 72 -7.600 2.091 8.870 1.00 0.00 C ATOM 1137 O LYS A 72 -7.140 1.358 9.744 1.00 0.00 O ATOM 1138 CB LYS A 72 -10.071 2.309 9.513 1.00 0.00 C ATOM 1139 CG LYS A 72 -11.114 3.285 10.061 1.00 0.00 C ATOM 1140 CD LYS A 72 -10.720 3.784 11.453 1.00 0.00 C ATOM 1141 CE LYS A 72 -11.958 4.072 12.303 1.00 0.00 C ATOM 1142 NZ LYS A 72 -12.115 5.529 12.514 1.00 0.00 N ATOM 0 H LYS A 72 -9.750 3.720 7.464 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.495 3.587 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.458 1.822 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.880 1.525 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.216 4.132 9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.086 2.795 10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.100 3.037 11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.118 4.688 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.845 3.672 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.872 3.567 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.960 5.707 13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.276 5.901 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.219 6.004 11.595 1.00 0.00 H new ATOM 1156 N ILE A 73 -7.158 2.140 7.622 1.00 0.00 N ATOM 1157 CA ILE A 73 -6.057 1.299 7.184 1.00 0.00 C ATOM 1158 C ILE A 73 -4.745 1.854 7.742 1.00 0.00 C ATOM 1159 O ILE A 73 -3.978 1.129 8.374 1.00 0.00 O ATOM 1160 CB ILE A 73 -6.065 1.154 5.661 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -7.081 0.099 5.217 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -4.661 0.857 5.131 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -7.331 0.180 3.709 1.00 0.00 C ATOM 0 H ILE A 73 -7.543 2.749 6.900 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.170 0.289 7.577 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.377 2.104 5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.716 -0.895 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.019 0.244 5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.695 0.759 4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.990 1.673 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.296 -0.072 5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.057 -0.580 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.719 1.167 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.396 0.011 3.176 1.00 0.00 H new ATOM 1175 N SER A 74 -4.526 3.136 7.487 1.00 0.00 N ATOM 1176 CA SER A 74 -3.320 3.797 7.956 1.00 0.00 C ATOM 1177 C SER A 74 -3.405 4.034 9.465 1.00 0.00 C ATOM 1178 O SER A 74 -2.410 3.901 10.175 1.00 0.00 O ATOM 1179 CB SER A 74 -3.097 5.121 7.222 1.00 0.00 C ATOM 1180 OG SER A 74 -1.741 5.283 6.813 1.00 0.00 O ATOM 0 H SER A 74 -5.163 3.734 6.962 1.00 0.00 H new ATOM 0 HA SER A 74 -2.470 3.148 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.747 5.165 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.381 5.948 7.872 1.00 0.00 H new ATOM 0 HG SER A 74 -1.640 6.139 6.347 1.00 0.00 H new ATOM 1186 N GLN A 75 -4.604 4.381 9.910 1.00 0.00 N ATOM 1187 CA GLN A 75 -4.832 4.638 11.322 1.00 0.00 C ATOM 1188 C GLN A 75 -4.753 3.334 12.118 1.00 0.00 C ATOM 1189 O GLN A 75 -4.478 2.275 11.556 1.00 0.00 O ATOM 1190 CB GLN A 75 -6.177 5.334 11.542 1.00 0.00 C ATOM 1191 CG GLN A 75 -6.075 6.387 12.647 1.00 0.00 C ATOM 1192 CD GLN A 75 -4.968 7.398 12.342 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -4.047 7.602 13.116 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -5.107 8.016 11.173 1.00 0.00 N ATOM 0 H GLN A 75 -5.427 4.490 9.318 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.050 5.308 11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.503 5.805 10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.934 4.596 11.807 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.028 6.906 12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.874 5.900 13.601 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.902 7.798 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.419 8.708 10.877 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -22.314 1.083 -2.168 1.00 0.00 LA