USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 500 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 81 THR OG1 : rot -29:sc= 0.262 USER MOD Set 1.2: A 95 ASN : amide:sc= 0.209 K(o=0.47,f=-2.3) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.2!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.424 9.517 -0.542 1.00 0.00 N ATOM 99 CA GLU A 56 1.809 8.133 -0.803 1.00 0.00 C ATOM 100 C GLU A 56 2.051 7.388 0.506 1.00 0.00 C ATOM 101 O GLU A 56 2.852 7.811 1.339 1.00 0.00 O ATOM 102 CB GLU A 56 3.083 8.080 -1.649 1.00 0.00 C ATOM 103 CG GLU A 56 2.896 8.928 -2.908 1.00 0.00 C ATOM 104 CD GLU A 56 4.258 9.230 -3.525 1.00 0.00 C ATOM 105 OE1 GLU A 56 5.051 9.885 -2.871 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.487 8.800 -4.644 1.00 0.00 O ATOM 0 HA GLU A 56 0.993 7.656 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.931 8.449 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.308 7.049 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.269 8.399 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.383 9.857 -2.661 1.00 0.00 H new ATOM 113 N ILE A 57 1.350 6.271 0.675 1.00 0.00 N ATOM 114 CA ILE A 57 1.494 5.466 1.885 1.00 0.00 C ATOM 115 C ILE A 57 2.743 4.579 1.784 1.00 0.00 C ATOM 116 O ILE A 57 2.779 3.647 0.981 1.00 0.00 O ATOM 117 CB ILE A 57 0.267 4.572 2.082 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.003 5.428 2.032 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.353 3.875 3.441 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.219 4.525 1.825 1.00 0.00 C ATOM 0 H ILE A 57 0.682 5.904 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 57 1.590 6.143 2.734 1.00 0.00 H new ATOM 0 HB ILE A 57 0.235 3.824 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.110 5.993 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.933 6.154 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.521 3.239 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.255 3.265 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.386 4.624 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.122 5.134 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.112 3.980 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.291 3.817 2.650 1.00 0.00 H new ATOM 132 N PRO A 58 3.782 4.851 2.590 1.00 0.00 N ATOM 133 CA PRO A 58 5.020 4.058 2.563 1.00 0.00 C ATOM 134 C PRO A 58 4.826 2.657 3.139 1.00 0.00 C ATOM 135 O PRO A 58 4.197 2.480 4.182 1.00 0.00 O ATOM 136 CB PRO A 58 5.993 4.859 3.425 1.00 0.00 C ATOM 137 CG PRO A 58 5.129 5.658 4.338 1.00 0.00 C ATOM 138 CD PRO A 58 3.858 5.935 3.590 1.00 0.00 C ATOM 0 HA PRO A 58 5.372 3.902 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.658 4.201 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.624 5.504 2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.926 5.110 5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.622 6.588 4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.994 5.925 4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.882 6.915 3.114 1.00 0.00 H new ATOM 146 N ALA A 59 5.378 1.665 2.445 1.00 0.00 N ATOM 147 CA ALA A 59 5.264 0.279 2.893 1.00 0.00 C ATOM 148 C ALA A 59 6.158 0.037 4.112 1.00 0.00 C ATOM 149 O ALA A 59 7.167 0.718 4.295 1.00 0.00 O ATOM 150 CB ALA A 59 5.676 -0.680 1.775 1.00 0.00 C ATOM 0 H ALA A 59 5.903 1.792 1.580 1.00 0.00 H new ATOM 0 HA ALA A 59 4.224 0.096 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.585 -1.708 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.027 -0.532 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.710 -0.484 1.490 1.00 0.00 H new ATOM 156 N PRO A 60 5.799 -0.937 4.960 1.00 0.00 N ATOM 157 CA PRO A 60 6.582 -1.257 6.163 1.00 0.00 C ATOM 158 C PRO A 60 7.895 -1.965 5.832 1.00 0.00 C ATOM 159 O PRO A 60 8.875 -1.864 6.569 1.00 0.00 O ATOM 160 CB PRO A 60 5.667 -2.180 6.964 1.00 0.00 C ATOM 161 CG PRO A 60 4.761 -2.800 5.956 1.00 0.00 C ATOM 162 CD PRO A 60 4.615 -1.809 4.836 1.00 0.00 C ATOM 0 HA PRO A 60 6.871 -0.356 6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.241 -2.938 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.102 -1.623 7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.175 -3.739 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.791 -3.030 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.588 -2.306 3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.690 -1.239 4.928 1.00 0.00 H new ATOM 170 N LEU A 61 7.900 -2.683 4.711 1.00 0.00 N ATOM 171 CA LEU A 61 9.097 -3.405 4.289 1.00 0.00 C ATOM 172 C LEU A 61 8.965 -3.851 2.836 1.00 0.00 C ATOM 173 O LEU A 61 7.875 -3.834 2.262 1.00 0.00 O ATOM 174 CB LEU A 61 9.322 -4.635 5.169 1.00 0.00 C ATOM 175 CG LEU A 61 8.192 -5.671 5.154 1.00 0.00 C ATOM 176 CD1 LEU A 61 8.478 -6.727 4.083 1.00 0.00 C ATOM 177 CD2 LEU A 61 8.100 -6.349 6.524 1.00 0.00 C ATOM 0 H LEU A 61 7.100 -2.780 4.086 1.00 0.00 H new ATOM 0 HA LEU A 61 9.947 -2.730 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.244 -5.123 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.474 -4.303 6.196 1.00 0.00 H new ATOM 0 HG LEU A 61 7.249 -5.172 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.674 -7.463 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.542 -6.247 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.422 -7.224 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.296 -7.085 6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.044 -6.846 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.894 -5.599 7.288 1.00 0.00 H new ATOM 189 N ALA A 62 10.088 -4.252 2.249 1.00 0.00 N ATOM 190 CA ALA A 62 10.092 -4.705 0.860 1.00 0.00 C ATOM 191 C ALA A 62 9.597 -6.144 0.772 1.00 0.00 C ATOM 192 O ALA A 62 10.314 -7.085 1.112 1.00 0.00 O ATOM 193 CB ALA A 62 11.501 -4.624 0.273 1.00 0.00 C ATOM 0 H ALA A 62 10.999 -4.273 2.707 1.00 0.00 H new ATOM 0 HA ALA A 62 9.427 -4.055 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.484 -4.965 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.851 -3.593 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.174 -5.256 0.853 1.00 0.00 H new ATOM 199 N GLY A 63 8.360 -6.306 0.309 1.00 0.00 N ATOM 200 CA GLY A 63 7.775 -7.637 0.178 1.00 0.00 C ATOM 201 C GLY A 63 7.128 -7.809 -1.191 1.00 0.00 C ATOM 202 O GLY A 63 7.639 -7.322 -2.201 1.00 0.00 O ATOM 0 H GLY A 63 7.749 -5.541 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.546 -8.394 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.031 -7.791 0.959 1.00 0.00 H new ATOM 206 N THR A 64 5.997 -8.507 -1.215 1.00 0.00 N ATOM 207 CA THR A 64 5.284 -8.740 -2.467 1.00 0.00 C ATOM 208 C THR A 64 3.787 -8.516 -2.278 1.00 0.00 C ATOM 209 O THR A 64 3.192 -8.986 -1.309 1.00 0.00 O ATOM 210 CB THR A 64 5.515 -10.170 -2.959 1.00 0.00 C ATOM 211 OG1 THR A 64 6.886 -10.508 -2.799 1.00 0.00 O ATOM 212 CG2 THR A 64 5.131 -10.272 -4.435 1.00 0.00 C ATOM 0 H THR A 64 5.558 -8.918 -0.391 1.00 0.00 H new ATOM 0 HA THR A 64 5.667 -8.036 -3.206 1.00 0.00 H new ATOM 0 HB THR A 64 4.901 -10.858 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.036 -11.424 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.296 -11.291 -4.784 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.079 -10.013 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.744 -9.585 -5.019 1.00 0.00 H new ATOM 220 N VAL A 65 3.187 -7.793 -3.218 1.00 0.00 N ATOM 221 CA VAL A 65 1.756 -7.511 -3.150 1.00 0.00 C ATOM 222 C VAL A 65 0.957 -8.773 -3.460 1.00 0.00 C ATOM 223 O VAL A 65 1.180 -9.433 -4.476 1.00 0.00 O ATOM 224 CB VAL A 65 1.375 -6.413 -4.148 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.087 -6.015 -3.942 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.269 -5.190 -3.927 1.00 0.00 C ATOM 0 H VAL A 65 3.662 -7.395 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 65 1.524 -7.171 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 65 1.510 -6.786 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.355 -5.234 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.726 -6.884 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.223 -5.643 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.998 -4.408 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.134 -4.820 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.312 -5.470 -4.076 1.00 0.00 H new ATOM 236 N SER A 66 0.025 -9.104 -2.570 1.00 0.00 N ATOM 237 CA SER A 66 -0.800 -10.294 -2.756 1.00 0.00 C ATOM 238 C SER A 66 -2.154 -9.923 -3.357 1.00 0.00 C ATOM 239 O SER A 66 -2.567 -10.476 -4.376 1.00 0.00 O ATOM 240 CB SER A 66 -1.027 -11.001 -1.419 1.00 0.00 C ATOM 241 OG SER A 66 -1.092 -12.404 -1.635 1.00 0.00 O ATOM 0 H SER A 66 -0.176 -8.572 -1.723 1.00 0.00 H new ATOM 0 HA SER A 66 -0.273 -10.962 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.218 -10.765 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.951 -10.649 -0.960 1.00 0.00 H new ATOM 0 HG SER A 66 -1.236 -12.860 -0.780 1.00 0.00 H new ATOM 247 N LYS A 67 -2.840 -8.985 -2.711 1.00 0.00 N ATOM 248 CA LYS A 67 -4.150 -8.553 -3.190 1.00 0.00 C ATOM 249 C LYS A 67 -4.422 -7.108 -2.780 1.00 0.00 C ATOM 250 O LYS A 67 -3.989 -6.654 -1.720 1.00 0.00 O ATOM 251 CB LYS A 67 -5.248 -9.453 -2.614 1.00 0.00 C ATOM 252 CG LYS A 67 -6.598 -9.091 -3.239 1.00 0.00 C ATOM 253 CD LYS A 67 -7.547 -10.286 -3.139 1.00 0.00 C ATOM 254 CE LYS A 67 -8.995 -9.795 -3.168 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.547 -9.812 -4.553 1.00 0.00 N ATOM 0 H LYS A 67 -2.517 -8.514 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.153 -8.624 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.014 -10.499 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.295 -9.336 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.027 -8.229 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.463 -8.808 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.369 -10.975 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.358 -10.837 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.607 -10.425 -2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.046 -8.783 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.530 -9.474 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.976 -9.192 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.520 -10.783 -4.925 1.00 0.00 H new ATOM 269 N ILE A 68 -5.152 -6.394 -3.632 1.00 0.00 N ATOM 270 CA ILE A 68 -5.490 -5.002 -3.354 1.00 0.00 C ATOM 271 C ILE A 68 -6.920 -4.907 -2.830 1.00 0.00 C ATOM 272 O ILE A 68 -7.840 -5.508 -3.384 1.00 0.00 O ATOM 273 CB ILE A 68 -5.363 -4.152 -4.622 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.981 -4.366 -5.243 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.537 -2.674 -4.268 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.964 -3.791 -6.661 1.00 0.00 C ATOM 0 H ILE A 68 -5.518 -6.753 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.796 -4.627 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.133 -4.448 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.218 -3.882 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.742 -5.429 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.446 -2.070 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.521 -2.519 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.768 -2.378 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.980 -3.943 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.716 -4.295 -7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.184 -2.724 -6.624 1.00 0.00 H new ATOM 288 N LEU A 69 -7.094 -4.151 -1.750 1.00 0.00 N ATOM 289 CA LEU A 69 -8.416 -3.991 -1.152 1.00 0.00 C ATOM 290 C LEU A 69 -9.053 -2.672 -1.582 1.00 0.00 C ATOM 291 O LEU A 69 -10.275 -2.559 -1.670 1.00 0.00 O ATOM 292 CB LEU A 69 -8.320 -4.020 0.374 1.00 0.00 C ATOM 293 CG LEU A 69 -8.287 -5.415 1.004 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.839 -5.902 1.093 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.890 -5.352 2.409 1.00 0.00 C ATOM 0 H LEU A 69 -6.346 -3.645 -1.275 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.036 -4.818 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.420 -3.483 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.169 -3.474 0.785 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.865 -6.105 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.816 -6.895 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.408 -5.945 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.260 -5.213 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.868 -6.344 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.311 -4.662 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.921 -5.005 2.347 1.00 0.00 H new ATOM 307 N VAL A 70 -8.213 -1.674 -1.844 1.00 0.00 N ATOM 308 CA VAL A 70 -8.714 -0.365 -2.257 1.00 0.00 C ATOM 309 C VAL A 70 -8.372 -0.088 -3.719 1.00 0.00 C ATOM 310 O VAL A 70 -7.348 -0.538 -4.231 1.00 0.00 O ATOM 311 CB VAL A 70 -8.116 0.737 -1.379 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.539 0.512 0.073 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.587 0.703 -1.471 1.00 0.00 C ATOM 0 H VAL A 70 -7.197 -1.743 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.798 -0.371 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.476 1.706 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.115 1.295 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.626 0.539 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.178 -0.459 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.167 1.490 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.223 -0.266 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.281 0.861 -2.505 1.00 0.00 H new ATOM 323 N LYS A 71 -9.246 0.666 -4.379 1.00 0.00 N ATOM 324 CA LYS A 71 -9.037 1.011 -5.782 1.00 0.00 C ATOM 325 C LYS A 71 -9.324 2.492 -6.007 1.00 0.00 C ATOM 326 O LYS A 71 -9.943 3.153 -5.174 1.00 0.00 O ATOM 327 CB LYS A 71 -9.955 0.182 -6.683 1.00 0.00 C ATOM 328 CG LYS A 71 -11.404 0.329 -6.212 1.00 0.00 C ATOM 329 CD LYS A 71 -12.340 0.291 -7.421 1.00 0.00 C ATOM 330 CE LYS A 71 -12.450 -1.143 -7.941 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.614 -1.853 -7.338 1.00 0.00 N ATOM 0 H LYS A 71 -10.099 1.047 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.998 0.796 -6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.863 0.513 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.658 -0.866 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.655 -0.474 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.528 1.267 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.326 0.664 -7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.962 0.945 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.552 -1.131 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.533 -1.686 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.661 -2.823 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.504 -1.885 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.491 -1.348 -7.577 1.00 0.00 H new ATOM 345 N GLU A 72 -8.862 3.006 -7.143 1.00 0.00 N ATOM 346 CA GLU A 72 -9.073 4.415 -7.469 1.00 0.00 C ATOM 347 C GLU A 72 -10.563 4.720 -7.581 1.00 0.00 C ATOM 348 O GLU A 72 -11.191 4.459 -8.608 1.00 0.00 O ATOM 349 CB GLU A 72 -8.392 4.766 -8.795 1.00 0.00 C ATOM 350 CG GLU A 72 -6.877 4.598 -8.653 1.00 0.00 C ATOM 351 CD GLU A 72 -6.463 3.224 -9.170 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.682 2.256 -8.461 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.933 3.160 -10.267 1.00 0.00 O ATOM 0 H GLU A 72 -8.346 2.477 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.639 5.013 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.767 4.121 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.630 5.792 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.361 5.379 -9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.585 4.708 -7.609 1.00 0.00 H new ATOM 360 N GLY A 73 -11.123 5.278 -6.511 1.00 0.00 N ATOM 361 CA GLY A 73 -12.543 5.619 -6.496 1.00 0.00 C ATOM 362 C GLY A 73 -13.168 5.287 -5.145 1.00 0.00 C ATOM 363 O GLY A 73 -14.107 5.948 -4.702 1.00 0.00 O ATOM 0 H GLY A 73 -10.622 5.502 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.668 6.681 -6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.061 5.073 -7.285 1.00 0.00 H new ATOM 367 N ASP A 74 -12.637 4.255 -4.495 1.00 0.00 N ATOM 368 CA ASP A 74 -13.153 3.843 -3.192 1.00 0.00 C ATOM 369 C ASP A 74 -12.511 4.666 -2.080 1.00 0.00 C ATOM 370 O ASP A 74 -11.352 5.070 -2.175 1.00 0.00 O ATOM 371 CB ASP A 74 -12.864 2.361 -2.946 1.00 0.00 C ATOM 372 CG ASP A 74 -13.753 1.512 -3.846 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.988 1.922 -4.971 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.188 0.464 -3.399 1.00 0.00 O ATOM 0 H ASP A 74 -11.859 3.694 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.231 4.008 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.814 2.146 -3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.045 2.113 -1.900 1.00 0.00 H new ATOM 379 N THR A 75 -13.279 4.905 -1.020 1.00 0.00 N ATOM 380 CA THR A 75 -12.780 5.679 0.112 1.00 0.00 C ATOM 381 C THR A 75 -12.269 4.747 1.206 1.00 0.00 C ATOM 382 O THR A 75 -12.803 3.657 1.411 1.00 0.00 O ATOM 383 CB THR A 75 -13.887 6.564 0.688 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.672 7.089 -0.374 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.264 7.713 1.481 1.00 0.00 C ATOM 0 H THR A 75 -14.240 4.577 -0.922 1.00 0.00 H new ATOM 0 HA THR A 75 -11.964 6.308 -0.243 1.00 0.00 H new ATOM 0 HB THR A 75 -14.519 5.971 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.383 7.655 -0.007 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.054 8.343 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.663 7.309 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.631 8.308 0.823 1.00 0.00 H new ATOM 393 N VAL A 76 -11.226 5.187 1.903 1.00 0.00 N ATOM 394 CA VAL A 76 -10.646 4.382 2.975 1.00 0.00 C ATOM 395 C VAL A 76 -10.696 5.134 4.299 1.00 0.00 C ATOM 396 O VAL A 76 -11.010 6.324 4.345 1.00 0.00 O ATOM 397 CB VAL A 76 -9.191 4.035 2.657 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.143 3.113 1.438 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.416 5.320 2.355 1.00 0.00 C ATOM 0 H VAL A 76 -10.769 6.086 1.748 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.230 3.466 3.057 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.741 3.531 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.106 2.865 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.697 2.199 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.592 3.617 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.379 5.074 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.865 5.823 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.451 5.979 3.223 1.00 0.00 H new ATOM 409 N LYS A 77 -10.378 4.423 5.377 1.00 0.00 N ATOM 410 CA LYS A 77 -10.385 5.026 6.706 1.00 0.00 C ATOM 411 C LYS A 77 -9.078 4.720 7.430 1.00 0.00 C ATOM 412 O LYS A 77 -8.481 3.659 7.243 1.00 0.00 O ATOM 413 CB LYS A 77 -11.553 4.490 7.533 1.00 0.00 C ATOM 414 CG LYS A 77 -12.801 5.331 7.261 1.00 0.00 C ATOM 415 CD LYS A 77 -14.051 4.472 7.460 1.00 0.00 C ATOM 416 CE LYS A 77 -15.296 5.297 7.127 1.00 0.00 C ATOM 417 NZ LYS A 77 -16.457 4.421 6.798 1.00 0.00 N ATOM 0 H LYS A 77 -10.115 3.438 5.358 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.494 6.104 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.743 3.447 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.305 4.521 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.827 6.190 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.774 5.722 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.005 3.590 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.101 4.117 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.548 5.936 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.084 5.955 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.285 5.010 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.223 3.830 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.674 3.811 7.612 1.00 0.00 H new ATOM 431 N ALA A 78 -8.640 5.661 8.260 1.00 0.00 N ATOM 432 CA ALA A 78 -7.398 5.487 9.012 1.00 0.00 C ATOM 433 C ALA A 78 -7.478 4.256 9.910 1.00 0.00 C ATOM 434 O ALA A 78 -7.998 4.315 11.024 1.00 0.00 O ATOM 435 CB ALA A 78 -7.122 6.716 9.879 1.00 0.00 C ATOM 0 H ALA A 78 -9.120 6.545 8.430 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.589 5.357 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.194 6.570 10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.031 7.597 9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.944 6.858 10.581 1.00 0.00 H new ATOM 441 N GLY A 79 -6.955 3.138 9.411 1.00 0.00 N ATOM 442 CA GLY A 79 -6.969 1.895 10.176 1.00 0.00 C ATOM 443 C GLY A 79 -7.445 0.729 9.315 1.00 0.00 C ATOM 444 O GLY A 79 -6.991 -0.404 9.473 1.00 0.00 O ATOM 0 H GLY A 79 -6.521 3.068 8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.969 1.687 10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.623 2.004 11.041 1.00 0.00 H new ATOM 448 N GLN A 80 -8.369 1.019 8.404 1.00 0.00 N ATOM 449 CA GLN A 80 -8.906 -0.014 7.521 1.00 0.00 C ATOM 450 C GLN A 80 -7.824 -0.523 6.573 1.00 0.00 C ATOM 451 O GLN A 80 -7.024 0.252 6.046 1.00 0.00 O ATOM 452 CB GLN A 80 -10.071 0.537 6.697 1.00 0.00 C ATOM 453 CG GLN A 80 -10.773 -0.613 5.973 1.00 0.00 C ATOM 454 CD GLN A 80 -11.319 -0.117 4.638 1.00 0.00 C ATOM 455 OE1 GLN A 80 -10.669 0.668 3.948 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.486 -0.533 4.229 1.00 0.00 N ATOM 0 H GLN A 80 -8.759 1.950 8.258 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.259 -0.836 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.776 1.056 7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.706 1.267 5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.075 -1.434 5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.585 -1.002 6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.025 -1.184 4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.860 -0.208 3.337 1.00 0.00 H new ATOM 465 N THR A 81 -7.811 -1.836 6.359 1.00 0.00 N ATOM 466 CA THR A 81 -6.827 -2.443 5.469 1.00 0.00 C ATOM 467 C THR A 81 -7.006 -1.921 4.047 1.00 0.00 C ATOM 468 O THR A 81 -8.127 -1.781 3.558 1.00 0.00 O ATOM 469 CB THR A 81 -6.976 -3.967 5.463 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.024 -4.441 6.802 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.783 -4.595 4.740 1.00 0.00 C ATOM 0 H THR A 81 -8.464 -2.494 6.785 1.00 0.00 H new ATOM 0 HA THR A 81 -5.834 -2.178 5.833 1.00 0.00 H new ATOM 0 HB THR A 81 -7.896 -4.241 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.517 -3.835 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.890 -5.680 4.736 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.747 -4.230 3.713 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.861 -4.323 5.255 1.00 0.00 H new ATOM 479 N VAL A 82 -5.886 -1.625 3.391 1.00 0.00 N ATOM 480 CA VAL A 82 -5.931 -1.110 2.026 1.00 0.00 C ATOM 481 C VAL A 82 -5.343 -2.119 1.042 1.00 0.00 C ATOM 482 O VAL A 82 -5.767 -2.200 -0.110 1.00 0.00 O ATOM 483 CB VAL A 82 -5.149 0.202 1.925 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.821 1.265 2.794 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.714 -0.017 2.411 1.00 0.00 C ATOM 0 H VAL A 82 -4.948 -1.731 3.777 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.976 -0.934 1.772 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.135 0.534 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.264 2.199 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.843 1.424 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.836 0.931 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.159 0.918 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.728 -0.351 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.232 -0.774 1.793 1.00 0.00 H new ATOM 495 N LEU A 83 -4.358 -2.884 1.505 1.00 0.00 N ATOM 496 CA LEU A 83 -3.718 -3.876 0.647 1.00 0.00 C ATOM 497 C LEU A 83 -2.946 -4.893 1.484 1.00 0.00 C ATOM 498 O LEU A 83 -2.448 -4.581 2.565 1.00 0.00 O ATOM 499 CB LEU A 83 -2.756 -3.189 -0.326 1.00 0.00 C ATOM 500 CG LEU A 83 -1.930 -4.124 -1.219 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.730 -3.482 -2.595 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.565 -4.372 -0.570 1.00 0.00 C ATOM 0 H LEU A 83 -3.990 -2.838 2.455 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.497 -4.394 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.332 -2.521 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.070 -2.567 0.249 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.458 -5.070 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.143 -4.149 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.701 -3.305 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.204 -2.534 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.024 -5.036 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.040 -3.424 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.705 -4.833 0.408 1.00 0.00 H new ATOM 514 N VAL A 84 -2.851 -6.115 0.965 1.00 0.00 N ATOM 515 CA VAL A 84 -2.135 -7.178 1.666 1.00 0.00 C ATOM 516 C VAL A 84 -0.771 -7.405 1.022 1.00 0.00 C ATOM 517 O VAL A 84 -0.622 -7.308 -0.197 1.00 0.00 O ATOM 518 CB VAL A 84 -2.928 -8.488 1.625 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.289 -9.500 2.578 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.377 -8.232 2.053 1.00 0.00 C ATOM 0 H VAL A 84 -3.256 -6.392 0.071 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.008 -6.869 2.704 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.917 -8.883 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.853 -10.433 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.260 -9.688 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.299 -9.101 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.936 -9.167 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.392 -7.834 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.835 -7.513 1.374 1.00 0.00 H new ATOM 530 N LEU A 85 0.225 -7.704 1.851 1.00 0.00 N ATOM 531 CA LEU A 85 1.574 -7.938 1.347 1.00 0.00 C ATOM 532 C LEU A 85 2.088 -9.303 1.799 1.00 0.00 C ATOM 533 O LEU A 85 1.521 -9.932 2.692 1.00 0.00 O ATOM 534 CB LEU A 85 2.527 -6.847 1.845 1.00 0.00 C ATOM 535 CG LEU A 85 3.563 -6.366 0.827 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.919 -5.344 -0.113 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.735 -5.713 1.562 1.00 0.00 C ATOM 0 H LEU A 85 0.126 -7.789 2.863 1.00 0.00 H new ATOM 0 HA LEU A 85 1.536 -7.914 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.935 -5.991 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.052 -7.221 2.724 1.00 0.00 H new ATOM 0 HG LEU A 85 3.924 -7.216 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.657 -5.001 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.083 -5.808 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.558 -4.494 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.473 -5.370 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.373 -4.863 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.195 -6.440 2.232 1.00 0.00 H new ATOM 549 N GLU A 86 3.171 -9.751 1.170 1.00 0.00 N ATOM 550 CA GLU A 86 3.760 -11.043 1.510 1.00 0.00 C ATOM 551 C GLU A 86 5.269 -10.908 1.683 1.00 0.00 C ATOM 552 O GLU A 86 5.984 -10.536 0.753 1.00 0.00 O ATOM 553 CB GLU A 86 3.475 -12.070 0.411 1.00 0.00 C ATOM 554 CG GLU A 86 1.973 -12.110 0.122 1.00 0.00 C ATOM 555 CD GLU A 86 1.619 -13.430 -0.556 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.421 -14.403 0.153 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.550 -13.447 -1.774 1.00 0.00 O ATOM 0 H GLU A 86 3.655 -9.244 0.429 1.00 0.00 H new ATOM 0 HA GLU A 86 3.313 -11.381 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.023 -11.810 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.822 -13.056 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.411 -12.003 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.693 -11.274 -0.518 1.00 0.00 H new ATOM 630 N GLU A 91 2.061 -13.153 5.809 1.00 0.00 N ATOM 631 CA GLU A 91 1.161 -12.152 5.243 1.00 0.00 C ATOM 632 C GLU A 91 1.219 -10.863 6.057 1.00 0.00 C ATOM 633 O GLU A 91 1.156 -10.885 7.286 1.00 0.00 O ATOM 634 CB GLU A 91 -0.279 -12.670 5.234 1.00 0.00 C ATOM 635 CG GLU A 91 -0.441 -13.706 4.120 1.00 0.00 C ATOM 636 CD GLU A 91 -1.727 -14.495 4.341 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.689 -15.450 5.099 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.731 -14.130 3.751 1.00 0.00 O ATOM 0 HA GLU A 91 1.481 -11.952 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.522 -13.116 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.973 -11.844 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.468 -13.211 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.415 -14.381 4.109 1.00 0.00 H new ATOM 645 N THR A 92 1.338 -9.740 5.356 1.00 0.00 N ATOM 646 CA THR A 92 1.404 -8.442 6.021 1.00 0.00 C ATOM 647 C THR A 92 0.239 -7.561 5.583 1.00 0.00 C ATOM 648 O THR A 92 0.127 -7.189 4.415 1.00 0.00 O ATOM 649 CB THR A 92 2.718 -7.734 5.689 1.00 0.00 C ATOM 650 OG1 THR A 92 3.783 -8.673 5.724 1.00 0.00 O ATOM 651 CG2 THR A 92 2.978 -6.627 6.713 1.00 0.00 C ATOM 0 H THR A 92 1.390 -9.701 4.338 1.00 0.00 H new ATOM 0 HA THR A 92 1.348 -8.612 7.096 1.00 0.00 H new ATOM 0 HB THR A 92 2.652 -7.296 4.693 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.625 -8.220 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.915 -6.124 6.475 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.161 -5.906 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.043 -7.062 7.710 1.00 0.00 H new ATOM 659 N GLU A 93 -0.628 -7.232 6.536 1.00 0.00 N ATOM 660 CA GLU A 93 -1.786 -6.393 6.242 1.00 0.00 C ATOM 661 C GLU A 93 -1.400 -4.918 6.280 1.00 0.00 C ATOM 662 O GLU A 93 -0.783 -4.447 7.235 1.00 0.00 O ATOM 663 CB GLU A 93 -2.900 -6.642 7.262 1.00 0.00 C ATOM 664 CG GLU A 93 -3.456 -8.054 7.078 1.00 0.00 C ATOM 665 CD GLU A 93 -3.889 -8.611 8.430 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.054 -9.188 9.107 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.051 -8.451 8.769 1.00 0.00 O ATOM 0 H GLU A 93 -0.553 -7.530 7.509 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.142 -6.650 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.514 -6.521 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.695 -5.907 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.303 -8.036 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.699 -8.699 6.633 1.00 0.00 H new ATOM 674 N ILE A 94 -1.772 -4.196 5.228 1.00 0.00 N ATOM 675 CA ILE A 94 -1.462 -2.771 5.148 1.00 0.00 C ATOM 676 C ILE A 94 -2.709 -1.941 5.436 1.00 0.00 C ATOM 677 O ILE A 94 -3.731 -2.074 4.763 1.00 0.00 O ATOM 678 CB ILE A 94 -0.933 -2.412 3.755 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.214 -3.362 3.368 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.429 -0.965 3.752 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.364 -3.255 4.379 1.00 0.00 C ATOM 0 H ILE A 94 -2.283 -4.568 4.427 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.696 -2.550 5.892 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.740 -2.515 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.152 -4.388 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.576 -3.117 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.053 -0.713 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.248 -0.294 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.373 -0.858 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.167 -3.934 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.741 -2.232 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.002 -3.523 5.372 1.00 0.00 H new ATOM 693 N ASN A 95 -2.611 -1.081 6.446 1.00 0.00 N ATOM 694 CA ASN A 95 -3.736 -0.229 6.821 1.00 0.00 C ATOM 695 C ASN A 95 -3.441 1.223 6.462 1.00 0.00 C ATOM 696 O ASN A 95 -2.304 1.683 6.563 1.00 0.00 O ATOM 697 CB ASN A 95 -4.008 -0.327 8.323 1.00 0.00 C ATOM 698 CG ASN A 95 -4.324 -1.773 8.689 1.00 0.00 C ATOM 699 OD1 ASN A 95 -5.356 -2.310 8.286 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.490 -2.441 9.438 1.00 0.00 N ATOM 0 H ASN A 95 -1.773 -0.956 7.014 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.615 -0.570 6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.140 0.020 8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.843 0.319 8.595 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.693 -3.408 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.635 -1.996 9.772 1.00 0.00 H new ATOM 707 N ALA A 96 -4.479 1.939 6.040 1.00 0.00 N ATOM 708 CA ALA A 96 -4.320 3.342 5.665 1.00 0.00 C ATOM 709 C ALA A 96 -3.839 4.165 6.865 1.00 0.00 C ATOM 710 O ALA A 96 -4.263 3.926 7.996 1.00 0.00 O ATOM 711 CB ALA A 96 -5.648 3.917 5.169 1.00 0.00 C ATOM 0 H ALA A 96 -5.428 1.577 5.949 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.580 3.395 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.512 4.963 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.986 3.354 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.394 3.844 5.960 1.00 0.00 H new ATOM 717 N PRO A 97 -2.948 5.141 6.637 1.00 0.00 N ATOM 718 CA PRO A 97 -2.424 5.990 7.718 1.00 0.00 C ATOM 719 C PRO A 97 -3.463 6.984 8.229 1.00 0.00 C ATOM 720 O PRO A 97 -3.544 7.261 9.426 1.00 0.00 O ATOM 721 CB PRO A 97 -1.254 6.728 7.072 1.00 0.00 C ATOM 722 CG PRO A 97 -1.561 6.743 5.615 1.00 0.00 C ATOM 723 CD PRO A 97 -2.375 5.514 5.329 1.00 0.00 C ATOM 0 HA PRO A 97 -2.138 5.400 8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.161 7.740 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.310 6.221 7.271 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.113 7.643 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.643 6.744 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.156 5.716 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.757 4.713 4.923 1.00 0.00 H new ATOM 731 N THR A 98 -4.257 7.516 7.305 1.00 0.00 N ATOM 732 CA THR A 98 -5.293 8.479 7.664 1.00 0.00 C ATOM 733 C THR A 98 -6.498 8.333 6.740 1.00 0.00 C ATOM 734 O THR A 98 -6.394 7.779 5.646 1.00 0.00 O ATOM 735 CB THR A 98 -4.757 9.909 7.559 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.928 10.018 6.410 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.944 10.245 8.811 1.00 0.00 C ATOM 0 H THR A 98 -4.204 7.299 6.310 1.00 0.00 H new ATOM 0 HA THR A 98 -5.595 8.280 8.692 1.00 0.00 H new ATOM 0 HB THR A 98 -5.591 10.605 7.474 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.585 10.933 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.563 11.263 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.581 10.161 9.692 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.108 9.551 8.899 1.00 0.00 H new ATOM 745 N ASP A 99 -7.643 8.835 7.194 1.00 0.00 N ATOM 746 CA ASP A 99 -8.865 8.755 6.399 1.00 0.00 C ATOM 747 C ASP A 99 -8.703 9.533 5.098 1.00 0.00 C ATOM 748 O ASP A 99 -8.097 10.605 5.070 1.00 0.00 O ATOM 749 CB ASP A 99 -10.054 9.325 7.176 1.00 0.00 C ATOM 750 CG ASP A 99 -9.712 10.720 7.686 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.954 11.670 6.960 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.213 10.818 8.795 1.00 0.00 O ATOM 0 H ASP A 99 -7.751 9.296 8.097 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.051 7.704 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.934 9.367 6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.301 8.672 8.013 1.00 0.00 H new ATOM 757 N GLY A 100 -9.254 8.981 4.022 1.00 0.00 N ATOM 758 CA GLY A 100 -9.165 9.632 2.716 1.00 0.00 C ATOM 759 C GLY A 100 -9.725 8.732 1.620 1.00 0.00 C ATOM 760 O GLY A 100 -10.534 7.840 1.880 1.00 0.00 O ATOM 0 H GLY A 100 -9.761 8.096 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.715 10.573 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.125 9.875 2.497 1.00 0.00 H new ATOM 764 N LYS A 101 -9.286 8.979 0.389 1.00 0.00 N ATOM 765 CA LYS A 101 -9.748 8.189 -0.750 1.00 0.00 C ATOM 766 C LYS A 101 -8.583 7.863 -1.679 1.00 0.00 C ATOM 767 O LYS A 101 -7.648 8.650 -1.826 1.00 0.00 O ATOM 768 CB LYS A 101 -10.814 8.956 -1.535 1.00 0.00 C ATOM 769 CG LYS A 101 -11.474 8.024 -2.552 1.00 0.00 C ATOM 770 CD LYS A 101 -12.301 8.849 -3.540 1.00 0.00 C ATOM 771 CE LYS A 101 -13.635 9.229 -2.898 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.557 9.857 -3.887 1.00 0.00 N ATOM 0 H LYS A 101 -8.617 9.713 0.155 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.177 7.263 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.564 9.356 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.362 9.806 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.713 7.454 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.112 7.304 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.754 9.748 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.474 8.277 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.103 8.340 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.460 9.919 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.453 10.103 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.119 10.719 -4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.743 9.188 -4.661 1.00 0.00 H new ATOM 786 N VAL A 102 -8.651 6.692 -2.306 1.00 0.00 N ATOM 787 CA VAL A 102 -7.599 6.265 -3.224 1.00 0.00 C ATOM 788 C VAL A 102 -7.736 6.994 -4.558 1.00 0.00 C ATOM 789 O VAL A 102 -8.696 6.787 -5.299 1.00 0.00 O ATOM 790 CB VAL A 102 -7.680 4.754 -3.463 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.476 4.295 -4.287 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.679 4.027 -2.114 1.00 0.00 C ATOM 0 H VAL A 102 -9.416 6.027 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.635 6.507 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.597 4.523 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.538 3.220 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.473 4.812 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.557 4.526 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.737 2.951 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.761 4.262 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.538 4.350 -1.526 1.00 0.00 H new ATOM 802 N GLU A 103 -6.765 7.854 -4.850 1.00 0.00 N ATOM 803 CA GLU A 103 -6.786 8.617 -6.097 1.00 0.00 C ATOM 804 C GLU A 103 -5.956 7.920 -7.171 1.00 0.00 C ATOM 805 O GLU A 103 -6.242 8.033 -8.363 1.00 0.00 O ATOM 806 CB GLU A 103 -6.233 10.027 -5.874 1.00 0.00 C ATOM 807 CG GLU A 103 -4.851 9.944 -5.220 1.00 0.00 C ATOM 808 CD GLU A 103 -4.160 11.300 -5.313 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.189 11.884 -6.384 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.614 11.735 -4.313 1.00 0.00 O ATOM 0 H GLU A 103 -5.962 8.040 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.822 8.682 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.164 10.555 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.912 10.598 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.949 9.645 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.248 9.182 -5.715 1.00 0.00 H new ATOM 817 N LYS A 104 -4.924 7.200 -6.739 1.00 0.00 N ATOM 818 CA LYS A 104 -4.060 6.491 -7.679 1.00 0.00 C ATOM 819 C LYS A 104 -3.297 5.377 -6.971 1.00 0.00 C ATOM 820 O LYS A 104 -2.639 5.603 -5.955 1.00 0.00 O ATOM 821 CB LYS A 104 -3.055 7.456 -8.314 1.00 0.00 C ATOM 822 CG LYS A 104 -2.551 6.873 -9.635 1.00 0.00 C ATOM 823 CD LYS A 104 -2.289 8.007 -10.627 1.00 0.00 C ATOM 824 CE LYS A 104 -1.091 7.649 -11.509 1.00 0.00 C ATOM 825 NZ LYS A 104 0.180 8.185 -10.944 1.00 0.00 N ATOM 0 H LYS A 104 -4.668 7.092 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.693 6.060 -8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.524 8.424 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.218 7.624 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.637 6.303 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.287 6.181 -10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.171 8.175 -11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.094 8.936 -10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.019 6.566 -11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.243 8.049 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.973 7.925 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.119 9.221 -10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.336 7.783 -9.997 1.00 0.00 H new ATOM 839 N VAL A 105 -3.392 4.171 -7.523 1.00 0.00 N ATOM 840 CA VAL A 105 -2.704 3.022 -6.941 1.00 0.00 C ATOM 841 C VAL A 105 -1.470 2.672 -7.766 1.00 0.00 C ATOM 842 O VAL A 105 -1.573 2.269 -8.926 1.00 0.00 O ATOM 843 CB VAL A 105 -3.634 1.807 -6.891 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.955 0.670 -6.122 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.935 2.190 -6.182 1.00 0.00 C ATOM 0 H VAL A 105 -3.932 3.964 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.403 3.286 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.853 1.479 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.619 -0.194 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.027 0.395 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.735 0.999 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.598 1.325 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.713 2.520 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.422 2.998 -6.727 1.00 0.00 H new ATOM 855 N LEU A 106 -0.300 2.828 -7.154 1.00 0.00 N ATOM 856 CA LEU A 106 0.953 2.524 -7.839 1.00 0.00 C ATOM 857 C LEU A 106 1.244 1.029 -7.776 1.00 0.00 C ATOM 858 O LEU A 106 1.725 0.433 -8.739 1.00 0.00 O ATOM 859 CB LEU A 106 2.113 3.287 -7.196 1.00 0.00 C ATOM 860 CG LEU A 106 1.881 4.785 -6.994 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.711 5.275 -5.807 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.301 5.541 -8.256 1.00 0.00 C ATOM 0 H LEU A 106 -0.193 3.159 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 106 0.851 2.830 -8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.330 2.836 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.000 3.154 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 106 0.824 4.965 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.545 6.343 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.412 4.737 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.768 5.095 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.136 6.609 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.358 5.361 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.709 5.193 -9.103 1.00 0.00 H new ATOM 874 N VAL A 107 0.946 0.430 -6.626 1.00 0.00 N ATOM 875 CA VAL A 107 1.180 -1.000 -6.442 1.00 0.00 C ATOM 876 C VAL A 107 0.132 -1.816 -7.196 1.00 0.00 C ATOM 877 O VAL A 107 -1.005 -1.379 -7.379 1.00 0.00 O ATOM 878 CB VAL A 107 1.138 -1.367 -4.954 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.224 -0.587 -4.212 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.232 -1.015 -4.362 1.00 0.00 C ATOM 0 H VAL A 107 0.547 0.905 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 107 2.168 -1.232 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 107 1.309 -2.438 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.198 -0.845 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.201 -0.842 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.049 0.482 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.250 -1.280 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.412 0.055 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.009 -1.569 -4.889 1.00 0.00 H new ATOM 890 N LYS A 108 0.529 -3.009 -7.630 1.00 0.00 N ATOM 891 CA LYS A 108 -0.383 -3.883 -8.363 1.00 0.00 C ATOM 892 C LYS A 108 -0.309 -5.305 -7.815 1.00 0.00 C ATOM 893 O LYS A 108 0.652 -5.677 -7.142 1.00 0.00 O ATOM 894 CB LYS A 108 -0.025 -3.904 -9.851 1.00 0.00 C ATOM 895 CG LYS A 108 -0.637 -2.684 -10.540 1.00 0.00 C ATOM 896 CD LYS A 108 -0.413 -2.786 -12.051 1.00 0.00 C ATOM 897 CE LYS A 108 -0.346 -1.382 -12.654 1.00 0.00 C ATOM 898 NZ LYS A 108 -0.469 -1.423 -14.139 1.00 0.00 N ATOM 0 H LYS A 108 1.465 -3.390 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.394 -3.496 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.058 -3.900 -9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.396 -4.819 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.704 -2.627 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.184 -1.770 -10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.511 -3.326 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.222 -3.353 -12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.144 -0.767 -12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.597 -0.910 -12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.420 -0.456 -14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.307 -1.990 -14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.380 -1.851 -14.400 1.00 0.00 H new ATOM 912 N GLU A 109 -1.337 -6.095 -8.111 1.00 0.00 N ATOM 913 CA GLU A 109 -1.381 -7.479 -7.643 1.00 0.00 C ATOM 914 C GLU A 109 -0.209 -8.271 -8.211 1.00 0.00 C ATOM 915 O GLU A 109 0.162 -8.111 -9.375 1.00 0.00 O ATOM 916 CB GLU A 109 -2.690 -8.146 -8.070 1.00 0.00 C ATOM 917 CG GLU A 109 -3.871 -7.404 -7.442 1.00 0.00 C ATOM 918 CD GLU A 109 -5.177 -7.953 -8.008 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.283 -9.162 -8.136 1.00 0.00 O ATOM 920 OE2 GLU A 109 -6.052 -7.156 -8.305 1.00 0.00 O ATOM 0 H GLU A 109 -2.143 -5.806 -8.666 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.318 -7.469 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.777 -8.137 -9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.696 -9.191 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.854 -7.522 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.794 -6.336 -7.647 1.00 0.00 H new ATOM 927 N ARG A 110 0.372 -9.129 -7.375 1.00 0.00 N ATOM 928 CA ARG A 110 1.507 -9.946 -7.798 1.00 0.00 C ATOM 929 C ARG A 110 2.683 -9.056 -8.197 1.00 0.00 C ATOM 930 O ARG A 110 3.411 -9.349 -9.145 1.00 0.00 O ATOM 931 CB ARG A 110 1.114 -10.839 -8.987 1.00 0.00 C ATOM 932 CG ARG A 110 1.625 -12.267 -8.760 1.00 0.00 C ATOM 933 CD ARG A 110 2.932 -12.476 -9.528 1.00 0.00 C ATOM 934 NE ARG A 110 2.672 -13.092 -10.827 1.00 0.00 N ATOM 935 CZ ARG A 110 3.484 -12.881 -11.859 1.00 0.00 C ATOM 936 NH1 ARG A 110 3.749 -11.662 -12.242 1.00 0.00 N ATOM 937 NH2 ARG A 110 4.015 -13.893 -12.489 1.00 0.00 N ATOM 0 H ARG A 110 0.079 -9.276 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 110 1.803 -10.577 -6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.030 -10.846 -9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.533 -10.436 -9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.785 -12.441 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.878 -12.988 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.435 -11.519 -9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.604 -13.108 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 110 1.856 -13.693 -10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.333 -10.871 -11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.372 -11.500 -13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.807 -14.846 -12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.638 -13.731 -13.280 1.00 0.00 H new ATOM 951 N ASP A 111 2.856 -7.963 -7.459 1.00 0.00 N ATOM 952 CA ASP A 111 3.945 -7.031 -7.736 1.00 0.00 C ATOM 953 C ASP A 111 4.810 -6.841 -6.495 1.00 0.00 C ATOM 954 O ASP A 111 4.321 -6.887 -5.367 1.00 0.00 O ATOM 955 CB ASP A 111 3.390 -5.673 -8.171 1.00 0.00 C ATOM 956 CG ASP A 111 4.424 -4.952 -9.030 1.00 0.00 C ATOM 957 OD1 ASP A 111 4.765 -5.478 -10.076 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.858 -3.885 -8.629 1.00 0.00 O ATOM 0 H ASP A 111 2.262 -7.702 -6.672 1.00 0.00 H new ATOM 0 HA ASP A 111 4.550 -7.449 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.466 -5.809 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.145 -5.071 -7.296 1.00 0.00 H new ATOM 963 N ALA A 112 6.105 -6.629 -6.716 1.00 0.00 N ATOM 964 CA ALA A 112 7.034 -6.436 -5.606 1.00 0.00 C ATOM 965 C ALA A 112 7.177 -4.952 -5.280 1.00 0.00 C ATOM 966 O ALA A 112 7.265 -4.110 -6.173 1.00 0.00 O ATOM 967 CB ALA A 112 8.411 -7.002 -5.956 1.00 0.00 C ATOM 0 H ALA A 112 6.531 -6.587 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 112 6.634 -6.962 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.091 -6.850 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.324 -8.069 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.801 -6.492 -6.837 1.00 0.00 H new ATOM 973 N VAL A 113 7.199 -4.644 -3.986 1.00 0.00 N ATOM 974 CA VAL A 113 7.334 -3.259 -3.544 1.00 0.00 C ATOM 975 C VAL A 113 8.557 -3.106 -2.647 1.00 0.00 C ATOM 976 O VAL A 113 9.086 -4.085 -2.121 1.00 0.00 O ATOM 977 CB VAL A 113 6.090 -2.820 -2.768 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.883 -2.796 -3.708 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.826 -3.806 -1.627 1.00 0.00 C ATOM 0 H VAL A 113 7.126 -5.327 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 113 7.449 -2.633 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 113 6.252 -1.823 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.997 -2.483 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.069 -2.095 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.721 -3.793 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.940 -3.494 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.665 -4.803 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.685 -3.824 -0.956 1.00 0.00 H new ATOM 989 N GLN A 114 9.000 -1.863 -2.476 1.00 0.00 N ATOM 990 CA GLN A 114 10.164 -1.591 -1.638 1.00 0.00 C ATOM 991 C GLN A 114 9.725 -1.031 -0.288 1.00 0.00 C ATOM 992 O GLN A 114 8.790 -0.235 -0.205 1.00 0.00 O ATOM 993 CB GLN A 114 11.092 -0.583 -2.319 1.00 0.00 C ATOM 994 CG GLN A 114 12.109 -1.329 -3.184 1.00 0.00 C ATOM 995 CD GLN A 114 13.295 -0.416 -3.478 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.292 -0.432 -2.756 1.00 0.00 O ATOM 997 NE2 GLN A 114 13.246 0.386 -4.506 1.00 0.00 N ATOM 0 H GLN A 114 8.577 -1.038 -2.901 1.00 0.00 H new ATOM 0 HA GLN A 114 10.699 -2.529 -1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.511 0.105 -2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.607 0.017 -1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.448 -2.229 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.644 -1.650 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.420 0.399 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.034 1.000 -4.712 1.00 0.00 H new ATOM 1006 N GLY A 115 10.411 -1.457 0.768 1.00 0.00 N ATOM 1007 CA GLY A 115 10.087 -0.993 2.114 1.00 0.00 C ATOM 1008 C GLY A 115 10.241 0.520 2.216 1.00 0.00 C ATOM 1009 O GLY A 115 11.353 1.045 2.253 1.00 0.00 O ATOM 0 H GLY A 115 11.188 -2.116 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.065 -1.277 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.740 -1.479 2.838 1.00 0.00 H new ATOM 1013 N GLY A 116 9.108 1.216 2.260 1.00 0.00 N ATOM 1014 CA GLY A 116 9.126 2.674 2.354 1.00 0.00 C ATOM 1015 C GLY A 116 8.576 3.312 1.080 1.00 0.00 C ATOM 1016 O GLY A 116 8.052 4.426 1.106 1.00 0.00 O ATOM 0 H GLY A 116 8.177 0.801 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.533 2.994 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.146 3.018 2.526 1.00 0.00 H new ATOM 1020 N GLN A 117 8.702 2.596 -0.039 1.00 0.00 N ATOM 1021 CA GLN A 117 8.216 3.103 -1.321 1.00 0.00 C ATOM 1022 C GLN A 117 6.721 3.409 -1.251 1.00 0.00 C ATOM 1023 O GLN A 117 5.973 2.762 -0.518 1.00 0.00 O ATOM 1024 CB GLN A 117 8.459 2.076 -2.427 1.00 0.00 C ATOM 1025 CG GLN A 117 8.350 2.759 -3.792 1.00 0.00 C ATOM 1026 CD GLN A 117 8.653 1.746 -4.892 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.757 1.722 -5.435 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.728 0.901 -5.257 1.00 0.00 N ATOM 0 H GLN A 117 9.132 1.672 -0.083 1.00 0.00 H new ATOM 0 HA GLN A 117 8.762 4.020 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.446 1.628 -2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.731 1.268 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.349 3.170 -3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.048 3.594 -3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.813 0.921 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.920 0.221 -5.992 1.00 0.00 H new ATOM 1037 N GLY A 118 6.298 4.406 -2.024 1.00 0.00 N ATOM 1038 CA GLY A 118 4.890 4.796 -2.047 1.00 0.00 C ATOM 1039 C GLY A 118 4.016 3.642 -2.524 1.00 0.00 C ATOM 1040 O GLY A 118 4.208 3.109 -3.616 1.00 0.00 O ATOM 0 H GLY A 118 6.902 4.954 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.578 5.106 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.757 5.655 -2.705 1.00 0.00 H new ATOM 1044 N LEU A 119 3.054 3.262 -1.689 1.00 0.00 N ATOM 1045 CA LEU A 119 2.151 2.166 -2.032 1.00 0.00 C ATOM 1046 C LEU A 119 0.929 2.696 -2.776 1.00 0.00 C ATOM 1047 O LEU A 119 0.674 2.328 -3.922 1.00 0.00 O ATOM 1048 CB LEU A 119 1.687 1.439 -0.769 1.00 0.00 C ATOM 1049 CG LEU A 119 2.774 0.661 -0.023 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.233 0.198 1.331 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.186 -0.558 -0.850 1.00 0.00 C ATOM 0 H LEU A 119 2.880 3.690 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 119 2.694 1.471 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.255 2.171 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.890 0.747 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 119 3.639 1.305 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.007 -0.356 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.938 1.066 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.368 -0.446 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.960 -1.113 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.320 -1.202 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.572 -0.229 -1.815 1.00 0.00 H new ATOM 1063 N ILE A 120 0.177 3.566 -2.107 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.021 4.144 -2.710 1.00 0.00 C ATOM 1065 C ILE A 120 -1.146 5.617 -2.329 1.00 0.00 C ATOM 1066 O ILE A 120 -0.668 6.045 -1.278 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.273 3.399 -2.240 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.095 1.897 -2.482 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.491 3.895 -3.022 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.263 1.136 -1.854 1.00 0.00 C ATOM 0 H ILE A 120 0.373 3.884 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.932 4.052 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.423 3.584 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.048 1.694 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.153 1.558 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.381 3.363 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.622 4.964 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.340 3.712 -4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.136 0.067 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.289 1.330 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.198 1.468 -2.305 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.797 6.387 -3.196 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.983 7.813 -2.945 1.00 0.00 C ATOM 1084 C LYS A 121 -3.346 8.068 -2.308 1.00 0.00 C ATOM 1085 O LYS A 121 -4.377 7.636 -2.823 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.885 8.606 -4.250 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.433 9.025 -4.487 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.342 9.841 -5.777 1.00 0.00 C ATOM 1089 CE LYS A 121 0.989 10.592 -5.814 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.314 11.055 -7.194 1.00 0.00 N ATOM 0 H LYS A 121 -2.201 6.052 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.197 8.140 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.240 8.000 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.525 9.487 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.071 9.615 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.204 8.144 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.424 9.183 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.171 10.546 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.944 11.449 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.785 9.943 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.223 11.561 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.381 10.234 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.566 11.694 -7.531 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.337 8.775 -1.182 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.579 9.084 -0.478 1.00 0.00 C ATOM 1106 C ILE A 122 -4.935 10.556 -0.650 1.00 0.00 C ATOM 1107 O ILE A 122 -4.060 11.420 -0.707 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.441 8.775 1.018 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.907 7.344 1.210 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.804 8.914 1.701 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.866 6.324 0.581 1.00 0.00 C ATOM 0 H ILE A 122 -2.494 9.142 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.369 8.466 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.740 9.480 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.921 7.253 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.788 7.133 2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.703 8.694 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.172 9.932 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.509 8.215 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.473 5.318 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.844 6.403 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.963 6.525 -0.486 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.234 10.832 -0.732 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.703 12.205 -0.898 1.00 0.00 C ATOM 1125 C GLY A 123 -8.174 12.324 -0.518 1.00 0.00 C ATOM 1126 O GLY A 123 -8.596 11.605 0.373 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.859 13.132 -1.125 1.00 0.00 O ATOM 0 H GLY A 123 -6.974 10.131 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.107 12.875 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.563 12.519 -1.932 1.00 0.00 H new