USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 516 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 Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00472 K(o=-0.0047,f=-4.4!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.16) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -84:sc= 1.6 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -37:sc= 1.25 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -87:sc= 0.0202 USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= -0.0339 (180deg=-0.171) USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0.00241 (180deg=0.000824) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0807) USER MOD Single : A 120 LYS NZ :NH3+ -166:sc= 0.147 (180deg=-0.219) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.525 -14.226 -5.568 1.00 0.00 N ATOM 88 CA GLU A 53 -2.497 -13.225 -5.161 1.00 0.00 C ATOM 89 C GLU A 53 -2.181 -12.722 -3.751 1.00 0.00 C ATOM 90 O GLU A 53 -2.555 -13.355 -2.764 1.00 0.00 O ATOM 91 CB GLU A 53 -3.921 -13.780 -5.240 1.00 0.00 C ATOM 92 CG GLU A 53 -4.382 -13.901 -6.694 1.00 0.00 C ATOM 93 CD GLU A 53 -5.871 -14.244 -6.769 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.290 -15.131 -5.993 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.558 -13.612 -7.601 1.00 0.00 O ATOM 0 HA GLU A 53 -2.433 -12.382 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.961 -14.757 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.601 -13.127 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.194 -12.964 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.801 -14.672 -7.201 1.00 0.00 H new ATOM 102 N PHE A 54 -1.496 -11.589 -3.702 1.00 0.00 N ATOM 103 CA PHE A 54 -1.136 -10.987 -2.429 1.00 0.00 C ATOM 104 C PHE A 54 -1.876 -9.666 -2.216 1.00 0.00 C ATOM 105 O PHE A 54 -2.220 -8.981 -3.179 1.00 0.00 O ATOM 106 CB PHE A 54 0.368 -10.713 -2.475 1.00 0.00 C ATOM 107 CG PHE A 54 1.221 -11.958 -2.729 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.391 -12.418 -3.997 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.807 -12.606 -1.686 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.182 -13.574 -4.233 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.598 -13.761 -1.922 1.00 0.00 C ATOM 112 CZ PHE A 54 2.768 -14.221 -3.190 1.00 0.00 C ATOM 0 H PHE A 54 -1.181 -11.072 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.404 -11.657 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.570 -9.981 -3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.674 -10.262 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.925 -11.905 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.670 -12.242 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.318 -13.939 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.065 -14.274 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.369 -15.101 -3.369 1.00 0.00 H new ATOM 122 N ASP A 55 -2.103 -9.347 -0.950 1.00 0.00 N ATOM 123 CA ASP A 55 -2.784 -8.113 -0.600 1.00 0.00 C ATOM 124 C ASP A 55 -1.777 -7.136 0.011 1.00 0.00 C ATOM 125 O ASP A 55 -0.914 -7.536 0.791 1.00 0.00 O ATOM 126 CB ASP A 55 -3.884 -8.365 0.433 1.00 0.00 C ATOM 127 CG ASP A 55 -5.071 -9.186 -0.073 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.863 -9.945 -1.044 1.00 0.00 O ATOM 129 OD2 ASP A 55 -6.160 -9.035 0.521 1.00 0.00 O ATOM 0 H ASP A 55 -1.827 -9.922 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.228 -7.704 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.446 -8.877 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.253 -7.404 0.791 1.00 0.00 H new ATOM 134 N VAL A 56 -1.921 -5.874 -0.366 1.00 0.00 N ATOM 135 CA VAL A 56 -1.040 -4.836 0.139 1.00 0.00 C ATOM 136 C VAL A 56 -1.815 -3.944 1.113 1.00 0.00 C ATOM 137 O VAL A 56 -2.704 -3.200 0.705 1.00 0.00 O ATOM 138 CB VAL A 56 -0.428 -4.056 -1.026 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.355 -2.842 -0.522 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.458 -4.960 -1.886 1.00 0.00 C ATOM 0 H VAL A 56 -2.636 -5.547 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.209 -5.276 0.691 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.244 -3.693 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.780 -2.305 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.314 -2.180 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.158 -3.174 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.881 -4.381 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.265 -5.366 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.139 -5.778 -2.289 1.00 0.00 H new ATOM 150 N ILE A 57 -1.449 -4.052 2.382 1.00 0.00 N ATOM 151 CA ILE A 57 -2.087 -3.253 3.414 1.00 0.00 C ATOM 152 C ILE A 57 -1.107 -2.187 3.907 1.00 0.00 C ATOM 153 O ILE A 57 0.102 -2.412 3.927 1.00 0.00 O ATOM 154 CB ILE A 57 -2.628 -4.152 4.528 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.830 -4.965 4.041 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.958 -3.336 5.779 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.864 -6.344 4.703 1.00 0.00 C ATOM 0 H ILE A 57 -0.719 -4.680 2.718 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.952 -2.728 3.009 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.848 -4.862 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.752 -4.428 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.782 -5.079 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.341 -3.999 6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.056 -2.839 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.713 -2.588 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.728 -6.901 4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.952 -6.888 4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.937 -6.227 5.784 1.00 0.00 H new ATOM 169 N LEU A 58 -1.664 -1.047 4.292 1.00 0.00 N ATOM 170 CA LEU A 58 -0.860 0.038 4.822 1.00 0.00 C ATOM 171 C LEU A 58 -1.075 0.137 6.334 1.00 0.00 C ATOM 172 O LEU A 58 -2.190 0.386 6.790 1.00 0.00 O ATOM 173 CB LEU A 58 -1.154 1.340 4.074 1.00 0.00 C ATOM 174 CG LEU A 58 -0.400 2.578 4.559 1.00 0.00 C ATOM 175 CD1 LEU A 58 1.090 2.476 4.229 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.026 3.857 3.998 1.00 0.00 C ATOM 0 H LEU A 58 -2.664 -0.853 4.247 1.00 0.00 H new ATOM 0 HA LEU A 58 0.199 -0.162 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.924 1.189 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.223 1.541 4.142 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.487 2.627 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.603 3.369 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.511 1.597 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.219 2.389 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.470 4.723 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.991 3.832 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.063 3.929 4.326 1.00 0.00 H new ATOM 188 N LYS A 59 0.008 -0.063 7.070 1.00 0.00 N ATOM 189 CA LYS A 59 -0.059 -0.049 8.520 1.00 0.00 C ATOM 190 C LYS A 59 0.274 1.354 9.029 1.00 0.00 C ATOM 191 O LYS A 59 -0.539 1.985 9.701 1.00 0.00 O ATOM 192 CB LYS A 59 0.833 -1.144 9.109 1.00 0.00 C ATOM 193 CG LYS A 59 0.061 -2.456 9.268 1.00 0.00 C ATOM 194 CD LYS A 59 0.955 -3.553 9.848 1.00 0.00 C ATOM 195 CE LYS A 59 1.076 -3.415 11.366 1.00 0.00 C ATOM 196 NZ LYS A 59 2.115 -4.331 11.889 1.00 0.00 N ATOM 0 H LYS A 59 0.938 -0.236 6.688 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.070 -0.279 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.696 -1.302 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.216 -0.824 10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.798 -2.300 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.327 -2.773 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.544 -4.531 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.945 -3.499 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.326 -2.386 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.117 -3.637 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.184 -4.224 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.860 -5.313 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.032 -4.100 11.455 1.00 0.00 H new ATOM 210 N ALA A 60 1.474 1.804 8.685 1.00 0.00 N ATOM 211 CA ALA A 60 1.939 3.106 9.130 1.00 0.00 C ATOM 212 C ALA A 60 2.645 3.813 7.971 1.00 0.00 C ATOM 213 O ALA A 60 3.568 3.263 7.372 1.00 0.00 O ATOM 214 CB ALA A 60 2.849 2.936 10.348 1.00 0.00 C ATOM 0 H ALA A 60 2.136 1.290 8.104 1.00 0.00 H new ATOM 0 HA ALA A 60 1.098 3.729 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.197 3.914 10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.293 2.455 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.706 2.318 10.079 1.00 0.00 H new ATOM 220 N ALA A 61 2.183 5.022 7.688 1.00 0.00 N ATOM 221 CA ALA A 61 2.784 5.827 6.638 1.00 0.00 C ATOM 222 C ALA A 61 4.209 6.209 7.047 1.00 0.00 C ATOM 223 O ALA A 61 5.059 6.456 6.194 1.00 0.00 O ATOM 224 CB ALA A 61 1.907 7.051 6.367 1.00 0.00 C ATOM 0 H ALA A 61 1.399 5.464 8.168 1.00 0.00 H new ATOM 0 HA ALA A 61 2.848 5.260 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.358 7.655 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.916 6.726 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.822 7.646 7.276 1.00 0.00 H new ATOM 230 N GLY A 62 4.424 6.248 8.354 1.00 0.00 N ATOM 231 CA GLY A 62 5.724 6.619 8.888 1.00 0.00 C ATOM 232 C GLY A 62 5.933 8.134 8.816 1.00 0.00 C ATOM 233 O GLY A 62 4.968 8.896 8.776 1.00 0.00 O ATOM 0 H GLY A 62 3.720 6.029 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.805 6.286 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.510 6.113 8.327 1.00 0.00 H new ATOM 237 N ALA A 63 7.198 8.524 8.803 1.00 0.00 N ATOM 238 CA ALA A 63 7.546 9.935 8.801 1.00 0.00 C ATOM 239 C ALA A 63 7.705 10.415 7.357 1.00 0.00 C ATOM 240 O ALA A 63 8.591 11.215 7.060 1.00 0.00 O ATOM 241 CB ALA A 63 8.814 10.149 9.630 1.00 0.00 C ATOM 0 H ALA A 63 7.995 7.888 8.794 1.00 0.00 H new ATOM 0 HA ALA A 63 6.753 10.527 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.075 11.207 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.639 9.820 10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.632 9.573 9.198 1.00 0.00 H new ATOM 247 N ASN A 64 6.835 9.906 6.498 1.00 0.00 N ATOM 248 CA ASN A 64 6.868 10.272 5.093 1.00 0.00 C ATOM 249 C ASN A 64 5.471 10.103 4.494 1.00 0.00 C ATOM 250 O ASN A 64 5.297 9.382 3.510 1.00 0.00 O ATOM 251 CB ASN A 64 7.830 9.376 4.312 1.00 0.00 C ATOM 252 CG ASN A 64 8.391 10.107 3.090 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.768 10.989 2.522 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.597 9.690 2.717 1.00 0.00 N ATOM 0 H ASN A 64 6.102 9.242 6.748 1.00 0.00 H new ATOM 0 HA ASN A 64 7.203 11.307 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.648 9.063 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.312 8.471 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.056 10.113 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.063 8.947 3.237 1.00 0.00 H new ATOM 261 N LYS A 65 4.510 10.775 5.109 1.00 0.00 N ATOM 262 CA LYS A 65 3.131 10.694 4.657 1.00 0.00 C ATOM 263 C LYS A 65 3.030 11.253 3.237 1.00 0.00 C ATOM 264 O LYS A 65 2.142 10.868 2.478 1.00 0.00 O ATOM 265 CB LYS A 65 2.200 11.383 5.658 1.00 0.00 C ATOM 266 CG LYS A 65 0.908 10.583 5.844 1.00 0.00 C ATOM 267 CD LYS A 65 -0.147 11.410 6.582 1.00 0.00 C ATOM 268 CE LYS A 65 0.072 11.353 8.095 1.00 0.00 C ATOM 269 NZ LYS A 65 -0.932 12.184 8.795 1.00 0.00 N ATOM 0 H LYS A 65 4.659 11.379 5.917 1.00 0.00 H new ATOM 0 HA LYS A 65 2.804 9.655 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.707 11.491 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.963 12.388 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.522 10.278 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.118 9.671 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.105 12.445 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.142 11.036 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.003 10.321 8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.075 11.704 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.619 12.357 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.038 13.092 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.846 11.688 8.807 1.00 0.00 H new ATOM 283 N VAL A 66 3.951 12.150 2.921 1.00 0.00 N ATOM 284 CA VAL A 66 3.939 12.812 1.627 1.00 0.00 C ATOM 285 C VAL A 66 4.206 11.778 0.530 1.00 0.00 C ATOM 286 O VAL A 66 3.412 11.637 -0.400 1.00 0.00 O ATOM 287 CB VAL A 66 4.945 13.964 1.620 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.091 14.556 0.215 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.548 15.044 2.629 1.00 0.00 C ATOM 0 H VAL A 66 4.711 12.435 3.539 1.00 0.00 H new ATOM 0 HA VAL A 66 2.961 13.251 1.430 1.00 0.00 H new ATOM 0 HB VAL A 66 5.914 13.564 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.812 15.373 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.439 13.784 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.126 14.933 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.280 15.852 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.564 15.437 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.517 14.613 3.630 1.00 0.00 H new ATOM 299 N ALA A 67 5.325 11.084 0.674 1.00 0.00 N ATOM 300 CA ALA A 67 5.725 10.096 -0.314 1.00 0.00 C ATOM 301 C ALA A 67 4.668 8.992 -0.381 1.00 0.00 C ATOM 302 O ALA A 67 4.302 8.542 -1.465 1.00 0.00 O ATOM 303 CB ALA A 67 7.112 9.555 0.038 1.00 0.00 C ATOM 0 H ALA A 67 5.967 11.186 1.460 1.00 0.00 H new ATOM 0 HA ALA A 67 5.793 10.548 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.412 8.814 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.831 10.374 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.082 9.091 1.024 1.00 0.00 H new ATOM 309 N VAL A 68 4.206 8.586 0.794 1.00 0.00 N ATOM 310 CA VAL A 68 3.224 7.520 0.885 1.00 0.00 C ATOM 311 C VAL A 68 1.983 7.906 0.078 1.00 0.00 C ATOM 312 O VAL A 68 1.597 7.198 -0.852 1.00 0.00 O ATOM 313 CB VAL A 68 2.913 7.219 2.353 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.611 6.426 2.485 1.00 0.00 C ATOM 315 CG2 VAL A 68 4.075 6.478 3.018 1.00 0.00 C ATOM 0 H VAL A 68 4.495 8.977 1.691 1.00 0.00 H new ATOM 0 HA VAL A 68 3.618 6.599 0.455 1.00 0.00 H new ATOM 0 HB VAL A 68 2.781 8.169 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.413 6.225 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.788 7.005 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.703 5.483 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.829 6.276 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.251 5.537 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.974 7.093 2.970 1.00 0.00 H new ATOM 325 N ILE A 69 1.391 9.028 0.462 1.00 0.00 N ATOM 326 CA ILE A 69 0.162 9.479 -0.168 1.00 0.00 C ATOM 327 C ILE A 69 0.334 9.457 -1.687 1.00 0.00 C ATOM 328 O ILE A 69 -0.606 9.149 -2.417 1.00 0.00 O ATOM 329 CB ILE A 69 -0.253 10.844 0.386 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.832 10.712 1.796 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.221 11.549 -0.568 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.794 12.052 2.531 1.00 0.00 C ATOM 0 H ILE A 69 1.740 9.638 1.201 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.659 8.802 0.068 1.00 0.00 H new ATOM 0 HB ILE A 69 0.638 11.468 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.860 10.353 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.266 9.969 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.501 12.517 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.738 11.695 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.114 10.938 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.211 11.931 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.238 12.396 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.381 12.786 1.979 1.00 0.00 H new ATOM 344 N LYS A 70 1.542 9.787 -2.118 1.00 0.00 N ATOM 345 CA LYS A 70 1.851 9.806 -3.538 1.00 0.00 C ATOM 346 C LYS A 70 1.796 8.379 -4.088 1.00 0.00 C ATOM 347 O LYS A 70 1.119 8.118 -5.081 1.00 0.00 O ATOM 348 CB LYS A 70 3.188 10.508 -3.787 1.00 0.00 C ATOM 349 CG LYS A 70 3.032 12.028 -3.702 1.00 0.00 C ATOM 350 CD LYS A 70 4.348 12.734 -4.034 1.00 0.00 C ATOM 351 CE LYS A 70 4.259 14.231 -3.731 1.00 0.00 C ATOM 352 NZ LYS A 70 5.553 14.895 -4.011 1.00 0.00 N ATOM 0 H LYS A 70 2.319 10.044 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 70 1.105 10.387 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.921 10.172 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.570 10.232 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.255 12.356 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.708 12.308 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.159 12.290 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.589 12.586 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.473 14.684 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.985 14.381 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.475 15.910 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.295 14.474 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.799 14.768 -5.013 1.00 0.00 H new ATOM 366 N ALA A 71 2.518 7.492 -3.416 1.00 0.00 N ATOM 367 CA ALA A 71 2.561 6.099 -3.826 1.00 0.00 C ATOM 368 C ALA A 71 1.135 5.555 -3.921 1.00 0.00 C ATOM 369 O ALA A 71 0.806 4.823 -4.852 1.00 0.00 O ATOM 370 CB ALA A 71 3.424 5.304 -2.843 1.00 0.00 C ATOM 0 H ALA A 71 3.077 7.712 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 71 3.016 6.003 -4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.456 4.259 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.435 5.711 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.996 5.375 -1.843 1.00 0.00 H new ATOM 376 N VAL A 72 0.325 5.933 -2.943 1.00 0.00 N ATOM 377 CA VAL A 72 -1.050 5.469 -2.888 1.00 0.00 C ATOM 378 C VAL A 72 -1.815 6.002 -4.101 1.00 0.00 C ATOM 379 O VAL A 72 -2.525 5.253 -4.771 1.00 0.00 O ATOM 380 CB VAL A 72 -1.686 5.871 -1.556 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.155 5.444 -1.497 1.00 0.00 C ATOM 382 CG2 VAL A 72 -0.900 5.296 -0.375 1.00 0.00 C ATOM 0 H VAL A 72 0.595 6.556 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.086 4.381 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.650 6.958 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.582 5.742 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.706 5.924 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.224 4.361 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.374 5.597 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.888 4.208 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.123 5.673 -0.401 1.00 0.00 H new ATOM 392 N ARG A 73 -1.644 7.293 -4.346 1.00 0.00 N ATOM 393 CA ARG A 73 -2.341 7.946 -5.442 1.00 0.00 C ATOM 394 C ARG A 73 -1.949 7.308 -6.775 1.00 0.00 C ATOM 395 O ARG A 73 -2.786 7.149 -7.662 1.00 0.00 O ATOM 396 CB ARG A 73 -2.022 9.441 -5.484 1.00 0.00 C ATOM 397 CG ARG A 73 -3.020 10.190 -6.371 1.00 0.00 C ATOM 398 CD ARG A 73 -2.415 10.491 -7.744 1.00 0.00 C ATOM 399 NE ARG A 73 -3.330 11.359 -8.520 1.00 0.00 N ATOM 400 CZ ARG A 73 -3.439 12.683 -8.344 1.00 0.00 C ATOM 401 NH1 ARG A 73 -2.709 13.295 -7.401 1.00 0.00 N ATOM 402 NH2 ARG A 73 -4.278 13.394 -9.110 1.00 0.00 N ATOM 0 H ARG A 73 -1.033 7.905 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.411 7.820 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.049 9.851 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.011 9.590 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.924 9.593 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.314 11.121 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.449 10.981 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.237 9.561 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.914 10.922 -9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.071 12.753 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.791 14.303 -7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.834 12.927 -9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.361 14.402 -8.976 1.00 0.00 H new ATOM 416 N GLY A 74 -0.674 6.962 -6.876 1.00 0.00 N ATOM 417 CA GLY A 74 -0.157 6.355 -8.090 1.00 0.00 C ATOM 418 C GLY A 74 -0.650 4.913 -8.236 1.00 0.00 C ATOM 419 O GLY A 74 -0.836 4.427 -9.350 1.00 0.00 O ATOM 0 H GLY A 74 0.016 7.091 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.471 6.940 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.933 6.370 -8.073 1.00 0.00 H new ATOM 423 N ALA A 75 -0.846 4.270 -7.095 1.00 0.00 N ATOM 424 CA ALA A 75 -1.237 2.871 -7.080 1.00 0.00 C ATOM 425 C ALA A 75 -2.732 2.761 -7.388 1.00 0.00 C ATOM 426 O ALA A 75 -3.180 1.768 -7.958 1.00 0.00 O ATOM 427 CB ALA A 75 -0.874 2.253 -5.730 1.00 0.00 C ATOM 0 H ALA A 75 -0.741 4.693 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.699 2.315 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.168 1.203 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.202 2.330 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.397 2.784 -4.934 1.00 0.00 H new ATOM 433 N THR A 76 -3.462 3.796 -6.998 1.00 0.00 N ATOM 434 CA THR A 76 -4.900 3.819 -7.210 1.00 0.00 C ATOM 435 C THR A 76 -5.287 5.000 -8.102 1.00 0.00 C ATOM 436 O THR A 76 -5.590 4.819 -9.281 1.00 0.00 O ATOM 437 CB THR A 76 -5.578 3.845 -5.839 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.139 5.069 -5.256 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.037 2.767 -4.897 1.00 0.00 C ATOM 0 H THR A 76 -3.085 4.624 -6.537 1.00 0.00 H new ATOM 0 HA THR A 76 -5.238 2.928 -7.739 1.00 0.00 H new ATOM 0 HB THR A 76 -6.653 3.711 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.267 4.934 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.552 2.830 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.205 1.783 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.968 2.919 -4.745 1.00 0.00 H new ATOM 447 N GLY A 77 -5.268 6.184 -7.506 1.00 0.00 N ATOM 448 CA GLY A 77 -5.652 7.388 -8.221 1.00 0.00 C ATOM 449 C GLY A 77 -6.902 8.019 -7.601 1.00 0.00 C ATOM 450 O GLY A 77 -7.608 8.780 -8.259 1.00 0.00 O ATOM 0 H GLY A 77 -4.992 6.334 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.831 8.104 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.842 7.149 -9.267 1.00 0.00 H new ATOM 454 N LEU A 78 -7.135 7.676 -6.342 1.00 0.00 N ATOM 455 CA LEU A 78 -8.278 8.212 -5.622 1.00 0.00 C ATOM 456 C LEU A 78 -8.051 9.699 -5.345 1.00 0.00 C ATOM 457 O LEU A 78 -6.911 10.157 -5.294 1.00 0.00 O ATOM 458 CB LEU A 78 -8.551 7.387 -4.362 1.00 0.00 C ATOM 459 CG LEU A 78 -9.065 5.963 -4.590 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.829 5.091 -3.356 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.535 5.972 -5.012 1.00 0.00 C ATOM 0 H LEU A 78 -6.553 7.035 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.180 8.135 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.630 7.331 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.280 7.922 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.497 5.522 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.203 4.085 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.761 5.047 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.354 5.519 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.875 4.948 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.135 6.439 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.644 6.535 -5.939 1.00 0.00 H new ATOM 473 N GLY A 79 -9.156 10.411 -5.176 1.00 0.00 N ATOM 474 CA GLY A 79 -9.091 11.836 -4.896 1.00 0.00 C ATOM 475 C GLY A 79 -8.182 12.119 -3.698 1.00 0.00 C ATOM 476 O GLY A 79 -8.143 11.340 -2.746 1.00 0.00 O ATOM 0 H GLY A 79 -10.100 10.028 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.718 12.366 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.092 12.217 -4.695 1.00 0.00 H new ATOM 480 N LEU A 80 -7.475 13.235 -3.783 1.00 0.00 N ATOM 481 CA LEU A 80 -6.562 13.625 -2.721 1.00 0.00 C ATOM 482 C LEU A 80 -7.203 13.321 -1.366 1.00 0.00 C ATOM 483 O LEU A 80 -6.564 12.738 -0.490 1.00 0.00 O ATOM 484 CB LEU A 80 -6.142 15.087 -2.888 1.00 0.00 C ATOM 485 CG LEU A 80 -4.779 15.464 -2.301 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.121 16.577 -3.116 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.902 15.832 -0.822 1.00 0.00 C ATOM 0 H LEU A 80 -7.515 13.882 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.642 13.043 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.135 15.323 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.902 15.718 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.128 14.592 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.154 16.826 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.978 16.240 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.761 17.460 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.920 16.096 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.576 16.682 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.298 14.981 -0.267 1.00 0.00 H new ATOM 499 N LYS A 81 -8.456 13.728 -1.235 1.00 0.00 N ATOM 500 CA LYS A 81 -9.184 13.521 0.005 1.00 0.00 C ATOM 501 C LYS A 81 -9.251 12.023 0.310 1.00 0.00 C ATOM 502 O LYS A 81 -8.649 11.555 1.275 1.00 0.00 O ATOM 503 CB LYS A 81 -10.556 14.196 -0.060 1.00 0.00 C ATOM 504 CG LYS A 81 -11.344 13.964 1.232 1.00 0.00 C ATOM 505 CD LYS A 81 -10.899 14.934 2.328 1.00 0.00 C ATOM 506 CE LYS A 81 -11.761 14.778 3.582 1.00 0.00 C ATOM 507 NZ LYS A 81 -12.056 16.101 4.176 1.00 0.00 N ATOM 0 H LYS A 81 -8.986 14.200 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.660 13.993 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.431 15.266 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.118 13.805 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.409 14.091 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.201 12.938 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.853 14.753 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.966 15.958 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.692 14.270 3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.244 14.153 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.642 15.977 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.165 16.572 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.568 16.685 3.485 1.00 0.00 H new ATOM 521 N GLU A 82 -9.987 11.313 -0.531 1.00 0.00 N ATOM 522 CA GLU A 82 -10.166 9.883 -0.347 1.00 0.00 C ATOM 523 C GLU A 82 -8.851 9.236 0.093 1.00 0.00 C ATOM 524 O GLU A 82 -8.823 8.465 1.051 1.00 0.00 O ATOM 525 CB GLU A 82 -10.700 9.227 -1.621 1.00 0.00 C ATOM 526 CG GLU A 82 -12.189 9.526 -1.808 1.00 0.00 C ATOM 527 CD GLU A 82 -13.050 8.395 -1.240 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.771 7.991 -0.091 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.969 7.960 -1.967 1.00 0.00 O ATOM 0 H GLU A 82 -10.467 11.702 -1.343 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.906 9.728 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.141 9.590 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.545 8.149 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.441 10.464 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.407 9.657 -2.868 1.00 0.00 H new ATOM 536 N ALA A 83 -7.792 9.573 -0.628 1.00 0.00 N ATOM 537 CA ALA A 83 -6.486 8.997 -0.356 1.00 0.00 C ATOM 538 C ALA A 83 -6.056 9.366 1.065 1.00 0.00 C ATOM 539 O ALA A 83 -5.609 8.508 1.823 1.00 0.00 O ATOM 540 CB ALA A 83 -5.487 9.478 -1.411 1.00 0.00 C ATOM 0 H ALA A 83 -7.812 10.238 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.526 7.909 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.507 9.046 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.823 9.165 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.418 10.565 -1.378 1.00 0.00 H new ATOM 546 N LYS A 84 -6.208 10.642 1.381 1.00 0.00 N ATOM 547 CA LYS A 84 -5.830 11.138 2.694 1.00 0.00 C ATOM 548 C LYS A 84 -6.555 10.325 3.770 1.00 0.00 C ATOM 549 O LYS A 84 -5.922 9.778 4.671 1.00 0.00 O ATOM 550 CB LYS A 84 -6.077 12.644 2.791 1.00 0.00 C ATOM 551 CG LYS A 84 -5.528 13.207 4.103 1.00 0.00 C ATOM 552 CD LYS A 84 -4.002 13.299 4.064 1.00 0.00 C ATOM 553 CE LYS A 84 -3.515 14.610 4.686 1.00 0.00 C ATOM 554 NZ LYS A 84 -3.663 15.726 3.725 1.00 0.00 N ATOM 0 H LYS A 84 -6.588 11.349 0.751 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.761 11.003 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.604 13.149 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.146 12.846 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.951 14.195 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.836 12.571 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.569 12.455 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.656 13.231 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.084 14.824 5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.470 14.513 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.328 16.608 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.101 15.527 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.664 15.828 3.463 1.00 0.00 H new ATOM 568 N ASP A 85 -7.872 10.272 3.637 1.00 0.00 N ATOM 569 CA ASP A 85 -8.692 9.556 4.601 1.00 0.00 C ATOM 570 C ASP A 85 -8.176 8.121 4.737 1.00 0.00 C ATOM 571 O ASP A 85 -7.997 7.626 5.849 1.00 0.00 O ATOM 572 CB ASP A 85 -10.151 9.493 4.143 1.00 0.00 C ATOM 573 CG ASP A 85 -10.868 10.842 4.083 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.166 11.847 3.839 1.00 0.00 O ATOM 575 OD2 ASP A 85 -12.103 10.838 4.281 1.00 0.00 O ATOM 0 H ASP A 85 -8.392 10.712 2.878 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.635 10.085 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.186 9.035 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.700 8.836 4.818 1.00 0.00 H new ATOM 580 N LEU A 86 -7.953 7.496 3.591 1.00 0.00 N ATOM 581 CA LEU A 86 -7.475 6.124 3.569 1.00 0.00 C ATOM 582 C LEU A 86 -6.305 5.980 4.545 1.00 0.00 C ATOM 583 O LEU A 86 -6.376 5.200 5.493 1.00 0.00 O ATOM 584 CB LEU A 86 -7.139 5.697 2.138 1.00 0.00 C ATOM 585 CG LEU A 86 -7.675 4.331 1.702 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.309 4.038 0.247 1.00 0.00 C ATOM 587 CD2 LEU A 86 -7.197 3.227 2.648 1.00 0.00 C ATOM 0 H LEU A 86 -8.094 7.914 2.671 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.256 5.443 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.526 6.452 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.055 5.692 2.027 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.763 4.356 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.702 3.062 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.739 4.804 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.225 4.039 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.592 2.267 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.108 3.192 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.551 3.435 3.658 1.00 0.00 H new ATOM 599 N VAL A 87 -5.256 6.743 4.277 1.00 0.00 N ATOM 600 CA VAL A 87 -4.047 6.660 5.078 1.00 0.00 C ATOM 601 C VAL A 87 -4.383 6.986 6.536 1.00 0.00 C ATOM 602 O VAL A 87 -3.861 6.354 7.452 1.00 0.00 O ATOM 603 CB VAL A 87 -2.969 7.574 4.495 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.705 7.553 5.358 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.650 7.192 3.046 1.00 0.00 C ATOM 0 H VAL A 87 -5.218 7.422 3.516 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.643 5.648 5.055 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.358 8.592 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.955 8.212 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.946 7.895 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.313 6.537 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.880 7.858 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.292 6.163 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.551 7.283 2.439 1.00 0.00 H new ATOM 615 N GLU A 88 -5.251 7.973 6.702 1.00 0.00 N ATOM 616 CA GLU A 88 -5.601 8.444 8.031 1.00 0.00 C ATOM 617 C GLU A 88 -6.445 7.396 8.760 1.00 0.00 C ATOM 618 O GLU A 88 -6.616 7.468 9.976 1.00 0.00 O ATOM 619 CB GLU A 88 -6.334 9.786 7.961 1.00 0.00 C ATOM 620 CG GLU A 88 -5.375 10.915 7.580 1.00 0.00 C ATOM 621 CD GLU A 88 -4.439 11.256 8.741 1.00 0.00 C ATOM 622 OE1 GLU A 88 -4.907 11.969 9.656 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.279 10.796 8.689 1.00 0.00 O ATOM 0 H GLU A 88 -5.722 8.459 5.939 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.681 8.598 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.140 9.726 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.794 10.004 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.788 10.620 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.944 11.800 7.296 1.00 0.00 H new ATOM 630 N SER A 89 -6.949 6.446 7.987 1.00 0.00 N ATOM 631 CA SER A 89 -7.808 5.411 8.536 1.00 0.00 C ATOM 632 C SER A 89 -7.040 4.092 8.639 1.00 0.00 C ATOM 633 O SER A 89 -7.642 3.020 8.682 1.00 0.00 O ATOM 634 CB SER A 89 -9.065 5.228 7.683 1.00 0.00 C ATOM 635 OG SER A 89 -8.775 4.603 6.434 1.00 0.00 O ATOM 0 H SER A 89 -6.779 6.371 6.984 1.00 0.00 H new ATOM 0 HA SER A 89 -8.120 5.721 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.790 4.626 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.527 6.199 7.504 1.00 0.00 H new ATOM 0 HG SER A 89 -7.912 4.924 6.100 1.00 0.00 H new ATOM 641 N ALA A 90 -5.721 4.214 8.675 1.00 0.00 N ATOM 642 CA ALA A 90 -4.866 3.047 8.805 1.00 0.00 C ATOM 643 C ALA A 90 -5.133 2.371 10.151 1.00 0.00 C ATOM 644 O ALA A 90 -5.503 3.032 11.120 1.00 0.00 O ATOM 645 CB ALA A 90 -3.403 3.467 8.644 1.00 0.00 C ATOM 0 H ALA A 90 -5.224 5.103 8.616 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.086 2.321 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.760 2.592 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.259 3.915 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.146 4.193 9.415 1.00 0.00 H new ATOM 651 N PRO A 91 -4.930 1.026 10.169 1.00 0.00 N ATOM 652 CA PRO A 91 -4.511 0.316 8.972 1.00 0.00 C ATOM 653 C PRO A 91 -5.673 0.163 7.989 1.00 0.00 C ATOM 654 O PRO A 91 -6.837 0.209 8.387 1.00 0.00 O ATOM 655 CB PRO A 91 -3.976 -1.016 9.472 1.00 0.00 C ATOM 656 CG PRO A 91 -4.539 -1.193 10.872 1.00 0.00 C ATOM 657 CD PRO A 91 -5.094 0.149 11.324 1.00 0.00 C ATOM 0 HA PRO A 91 -3.746 0.852 8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.288 -1.832 8.820 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.886 -1.018 9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.322 -1.951 10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.762 -1.535 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.142 0.067 11.613 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.553 0.530 12.190 1.00 0.00 H new ATOM 665 N ALA A 92 -5.318 -0.016 6.726 1.00 0.00 N ATOM 666 CA ALA A 92 -6.318 -0.176 5.683 1.00 0.00 C ATOM 667 C ALA A 92 -5.686 -0.878 4.480 1.00 0.00 C ATOM 668 O ALA A 92 -4.490 -0.736 4.232 1.00 0.00 O ATOM 669 CB ALA A 92 -6.902 1.191 5.321 1.00 0.00 C ATOM 0 H ALA A 92 -4.352 -0.054 6.400 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.141 -0.799 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.652 1.071 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.365 1.634 6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.106 1.844 4.963 1.00 0.00 H new ATOM 675 N ALA A 93 -6.517 -1.619 3.764 1.00 0.00 N ATOM 676 CA ALA A 93 -6.067 -2.305 2.564 1.00 0.00 C ATOM 677 C ALA A 93 -5.988 -1.303 1.410 1.00 0.00 C ATOM 678 O ALA A 93 -6.854 -0.441 1.271 1.00 0.00 O ATOM 679 CB ALA A 93 -7.005 -3.473 2.260 1.00 0.00 C ATOM 0 H ALA A 93 -7.501 -1.760 3.991 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.070 -2.720 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.667 -3.987 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.002 -4.170 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.016 -3.097 2.105 1.00 0.00 H new ATOM 685 N LEU A 94 -4.942 -1.450 0.610 1.00 0.00 N ATOM 686 CA LEU A 94 -4.744 -0.576 -0.532 1.00 0.00 C ATOM 687 C LEU A 94 -5.024 -1.352 -1.820 1.00 0.00 C ATOM 688 O LEU A 94 -5.566 -0.800 -2.778 1.00 0.00 O ATOM 689 CB LEU A 94 -3.352 0.059 -0.487 1.00 0.00 C ATOM 690 CG LEU A 94 -3.267 1.447 0.152 1.00 0.00 C ATOM 691 CD1 LEU A 94 -3.680 1.399 1.625 1.00 0.00 C ATOM 692 CD2 LEU A 94 -1.873 2.051 -0.034 1.00 0.00 C ATOM 0 H LEU A 94 -4.222 -2.163 0.731 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.449 0.254 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.686 -0.611 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.972 0.126 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.973 2.102 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.611 2.398 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.706 1.041 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.018 0.724 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.839 3.037 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.131 1.404 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.655 2.142 -1.098 1.00 0.00 H new ATOM 704 N LYS A 95 -4.643 -2.620 -1.803 1.00 0.00 N ATOM 705 CA LYS A 95 -4.858 -3.481 -2.952 1.00 0.00 C ATOM 706 C LYS A 95 -5.154 -4.903 -2.472 1.00 0.00 C ATOM 707 O LYS A 95 -4.660 -5.325 -1.427 1.00 0.00 O ATOM 708 CB LYS A 95 -3.673 -3.393 -3.916 1.00 0.00 C ATOM 709 CG LYS A 95 -2.936 -2.062 -3.760 1.00 0.00 C ATOM 710 CD LYS A 95 -1.824 -1.923 -4.802 1.00 0.00 C ATOM 711 CE LYS A 95 -0.569 -2.684 -4.368 1.00 0.00 C ATOM 712 NZ LYS A 95 0.438 -2.682 -5.452 1.00 0.00 N ATOM 0 H LYS A 95 -4.186 -3.072 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.728 -3.148 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.985 -4.218 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.026 -3.499 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.641 -1.238 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.511 -1.993 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.171 -2.304 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.584 -0.869 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.149 -2.225 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.830 -3.710 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.283 -3.202 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.040 -3.140 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.700 -1.702 -5.681 1.00 0.00 H new ATOM 726 N GLU A 96 -5.960 -5.604 -3.257 1.00 0.00 N ATOM 727 CA GLU A 96 -6.348 -6.961 -2.912 1.00 0.00 C ATOM 728 C GLU A 96 -6.037 -7.913 -4.068 1.00 0.00 C ATOM 729 O GLU A 96 -6.441 -7.668 -5.204 1.00 0.00 O ATOM 730 CB GLU A 96 -7.827 -7.028 -2.529 1.00 0.00 C ATOM 731 CG GLU A 96 -8.119 -6.154 -1.307 1.00 0.00 C ATOM 732 CD GLU A 96 -9.570 -6.311 -0.853 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.957 -7.469 -0.582 1.00 0.00 O ATOM 734 OE2 GLU A 96 -10.261 -5.272 -0.785 1.00 0.00 O ATOM 0 H GLU A 96 -6.355 -5.257 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.768 -7.274 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.439 -6.700 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.105 -8.060 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.448 -6.427 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.921 -5.109 -1.547 1.00 0.00 H new ATOM 741 N GLY A 97 -5.322 -8.978 -3.740 1.00 0.00 N ATOM 742 CA GLY A 97 -4.991 -9.990 -4.728 1.00 0.00 C ATOM 743 C GLY A 97 -4.354 -9.358 -5.967 1.00 0.00 C ATOM 744 O GLY A 97 -4.938 -9.384 -7.050 1.00 0.00 O ATOM 0 H GLY A 97 -4.962 -9.162 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.306 -10.718 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.892 -10.532 -5.014 1.00 0.00 H new ATOM 748 N VAL A 98 -3.167 -8.807 -5.768 1.00 0.00 N ATOM 749 CA VAL A 98 -2.428 -8.202 -6.863 1.00 0.00 C ATOM 750 C VAL A 98 -1.169 -9.027 -7.140 1.00 0.00 C ATOM 751 O VAL A 98 -0.729 -9.800 -6.289 1.00 0.00 O ATOM 752 CB VAL A 98 -2.126 -6.737 -6.547 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.413 -5.912 -6.485 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.330 -6.610 -5.246 1.00 0.00 C ATOM 0 H VAL A 98 -2.697 -8.766 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.026 -8.205 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.513 -6.340 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.169 -4.874 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.925 -5.963 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.063 -6.310 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.128 -5.558 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.907 -7.033 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.387 -7.148 -5.342 1.00 0.00 H new ATOM 764 N SER A 99 -0.623 -8.835 -8.332 1.00 0.00 N ATOM 765 CA SER A 99 0.576 -9.551 -8.730 1.00 0.00 C ATOM 766 C SER A 99 1.706 -9.277 -7.735 1.00 0.00 C ATOM 767 O SER A 99 1.862 -8.153 -7.263 1.00 0.00 O ATOM 768 CB SER A 99 1.008 -9.159 -10.145 1.00 0.00 C ATOM 769 OG SER A 99 1.365 -7.783 -10.231 1.00 0.00 O ATOM 0 H SER A 99 -0.990 -8.193 -9.035 1.00 0.00 H new ATOM 0 HA SER A 99 0.352 -10.618 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.856 -9.773 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.197 -9.368 -10.843 1.00 0.00 H new ATOM 0 HG SER A 99 0.563 -7.247 -10.405 1.00 0.00 H new ATOM 775 N LYS A 100 2.464 -10.325 -7.447 1.00 0.00 N ATOM 776 CA LYS A 100 3.555 -10.218 -6.493 1.00 0.00 C ATOM 777 C LYS A 100 4.490 -9.085 -6.920 1.00 0.00 C ATOM 778 O LYS A 100 4.896 -8.266 -6.096 1.00 0.00 O ATOM 779 CB LYS A 100 4.258 -11.567 -6.330 1.00 0.00 C ATOM 780 CG LYS A 100 5.256 -11.529 -5.171 1.00 0.00 C ATOM 781 CD LYS A 100 6.677 -11.266 -5.677 1.00 0.00 C ATOM 782 CE LYS A 100 7.672 -11.225 -4.517 1.00 0.00 C ATOM 783 NZ LYS A 100 9.053 -11.067 -5.025 1.00 0.00 N ATOM 0 H LYS A 100 2.344 -11.251 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 100 3.174 -9.962 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.518 -12.347 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.777 -11.824 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.968 -10.751 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.228 -12.476 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.966 -12.046 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.705 -10.320 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.427 -10.399 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.596 -12.142 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.689 -10.838 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.362 -11.953 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.080 -10.298 -5.725 1.00 0.00 H new ATOM 797 N ASP A 101 4.804 -9.072 -8.206 1.00 0.00 N ATOM 798 CA ASP A 101 5.744 -8.100 -8.739 1.00 0.00 C ATOM 799 C ASP A 101 5.267 -6.690 -8.384 1.00 0.00 C ATOM 800 O ASP A 101 6.070 -5.830 -8.028 1.00 0.00 O ATOM 801 CB ASP A 101 5.835 -8.198 -10.262 1.00 0.00 C ATOM 802 CG ASP A 101 6.513 -9.465 -10.789 1.00 0.00 C ATOM 803 OD1 ASP A 101 5.800 -10.486 -10.895 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.726 -9.383 -11.074 1.00 0.00 O ATOM 0 H ASP A 101 4.424 -9.720 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 101 6.723 -8.305 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.828 -8.144 -10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.380 -7.331 -10.635 1.00 0.00 H new ATOM 809 N ASP A 102 3.961 -6.496 -8.492 1.00 0.00 N ATOM 810 CA ASP A 102 3.373 -5.191 -8.246 1.00 0.00 C ATOM 811 C ASP A 102 3.412 -4.895 -6.745 1.00 0.00 C ATOM 812 O ASP A 102 3.588 -3.747 -6.339 1.00 0.00 O ATOM 813 CB ASP A 102 1.912 -5.149 -8.697 1.00 0.00 C ATOM 814 CG ASP A 102 1.707 -4.922 -10.197 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.634 -4.363 -10.820 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.624 -5.313 -10.687 1.00 0.00 O ATOM 0 H ASP A 102 3.292 -7.223 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 102 3.945 -4.453 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.434 -6.088 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.401 -4.356 -8.151 1.00 0.00 H new ATOM 821 N ALA A 103 3.245 -5.952 -5.962 1.00 0.00 N ATOM 822 CA ALA A 103 3.244 -5.817 -4.515 1.00 0.00 C ATOM 823 C ALA A 103 4.634 -5.384 -4.046 1.00 0.00 C ATOM 824 O ALA A 103 4.767 -4.428 -3.282 1.00 0.00 O ATOM 825 CB ALA A 103 2.798 -7.135 -3.880 1.00 0.00 C ATOM 0 H ALA A 103 3.110 -6.904 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 103 2.537 -5.049 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.797 -7.034 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.793 -7.382 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.486 -7.930 -4.170 1.00 0.00 H new ATOM 831 N GLU A 104 5.637 -6.108 -4.522 1.00 0.00 N ATOM 832 CA GLU A 104 7.004 -5.870 -4.089 1.00 0.00 C ATOM 833 C GLU A 104 7.521 -4.552 -4.666 1.00 0.00 C ATOM 834 O GLU A 104 8.372 -3.897 -4.066 1.00 0.00 O ATOM 835 CB GLU A 104 7.913 -7.036 -4.482 1.00 0.00 C ATOM 836 CG GLU A 104 9.004 -7.257 -3.432 1.00 0.00 C ATOM 837 CD GLU A 104 9.997 -8.326 -3.891 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.411 -8.250 -5.068 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.321 -9.197 -3.054 1.00 0.00 O ATOM 0 H GLU A 104 5.530 -6.860 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 104 7.013 -5.796 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.320 -7.944 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.371 -6.835 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.531 -6.321 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.550 -7.559 -2.488 1.00 0.00 H new ATOM 846 N ALA A 105 6.986 -4.200 -5.827 1.00 0.00 N ATOM 847 CA ALA A 105 7.431 -3.005 -6.525 1.00 0.00 C ATOM 848 C ALA A 105 7.085 -1.773 -5.687 1.00 0.00 C ATOM 849 O ALA A 105 7.948 -0.938 -5.419 1.00 0.00 O ATOM 850 CB ALA A 105 6.797 -2.961 -7.917 1.00 0.00 C ATOM 0 H ALA A 105 6.249 -4.721 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 105 8.512 -3.019 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.131 -2.065 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.097 -3.844 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.711 -2.943 -7.822 1.00 0.00 H new ATOM 856 N LEU A 106 5.820 -1.697 -5.298 1.00 0.00 N ATOM 857 CA LEU A 106 5.342 -0.566 -4.523 1.00 0.00 C ATOM 858 C LEU A 106 5.948 -0.622 -3.119 1.00 0.00 C ATOM 859 O LEU A 106 6.306 0.408 -2.551 1.00 0.00 O ATOM 860 CB LEU A 106 3.813 -0.517 -4.531 1.00 0.00 C ATOM 861 CG LEU A 106 3.182 0.808 -4.100 1.00 0.00 C ATOM 862 CD1 LEU A 106 3.188 1.819 -5.249 1.00 0.00 C ATOM 863 CD2 LEU A 106 1.775 0.588 -3.539 1.00 0.00 C ATOM 0 H LEU A 106 5.112 -2.401 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 106 5.670 0.370 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.467 -0.751 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.441 -1.304 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 106 3.788 1.229 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.734 2.752 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.215 2.007 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.620 1.419 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.349 1.546 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.145 0.133 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.828 -0.072 -2.673 1.00 0.00 H new ATOM 875 N LYS A 107 6.044 -1.838 -2.599 1.00 0.00 N ATOM 876 CA LYS A 107 6.594 -2.042 -1.270 1.00 0.00 C ATOM 877 C LYS A 107 7.995 -1.433 -1.203 1.00 0.00 C ATOM 878 O LYS A 107 8.302 -0.674 -0.285 1.00 0.00 O ATOM 879 CB LYS A 107 6.550 -3.525 -0.895 1.00 0.00 C ATOM 880 CG LYS A 107 7.180 -3.761 0.479 1.00 0.00 C ATOM 881 CD LYS A 107 6.644 -5.046 1.114 1.00 0.00 C ATOM 882 CE LYS A 107 7.408 -5.385 2.397 1.00 0.00 C ATOM 883 NZ LYS A 107 6.898 -4.579 3.529 1.00 0.00 N ATOM 0 H LYS A 107 5.750 -2.691 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 107 5.987 -1.529 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.517 -3.872 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.079 -4.110 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.264 -3.824 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.968 -2.913 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.584 -4.930 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.732 -5.870 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.302 -6.446 2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.472 -5.193 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.520 -4.705 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.879 -3.575 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.936 -4.890 3.771 1.00 0.00 H new ATOM 897 N LYS A 108 8.808 -1.786 -2.188 1.00 0.00 N ATOM 898 CA LYS A 108 10.176 -1.296 -2.243 1.00 0.00 C ATOM 899 C LYS A 108 10.168 0.232 -2.174 1.00 0.00 C ATOM 900 O LYS A 108 10.972 0.827 -1.458 1.00 0.00 O ATOM 901 CB LYS A 108 10.895 -1.854 -3.473 1.00 0.00 C ATOM 902 CG LYS A 108 11.378 -3.284 -3.224 1.00 0.00 C ATOM 903 CD LYS A 108 12.236 -3.783 -4.388 1.00 0.00 C ATOM 904 CE LYS A 108 12.158 -5.307 -4.512 1.00 0.00 C ATOM 905 NZ LYS A 108 12.637 -5.953 -3.270 1.00 0.00 N ATOM 0 H LYS A 108 8.546 -2.406 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 108 10.744 -1.651 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.222 -1.838 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.744 -1.218 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.955 -3.321 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.520 -3.943 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.900 -3.321 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.272 -3.479 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.130 -5.609 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.760 -5.640 -5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.755 -6.973 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.550 -5.539 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.943 -5.801 -2.510 1.00 0.00 H new ATOM 919 N ALA A 109 9.252 0.823 -2.927 1.00 0.00 N ATOM 920 CA ALA A 109 9.144 2.270 -2.975 1.00 0.00 C ATOM 921 C ALA A 109 8.698 2.791 -1.608 1.00 0.00 C ATOM 922 O ALA A 109 9.193 3.814 -1.137 1.00 0.00 O ATOM 923 CB ALA A 109 8.182 2.673 -4.095 1.00 0.00 C ATOM 0 H ALA A 109 8.578 0.325 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 109 10.112 2.719 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.101 3.759 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.560 2.305 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.199 2.242 -3.903 1.00 0.00 H new ATOM 929 N LEU A 110 7.769 2.063 -1.007 1.00 0.00 N ATOM 930 CA LEU A 110 7.216 2.463 0.276 1.00 0.00 C ATOM 931 C LEU A 110 8.323 2.435 1.333 1.00 0.00 C ATOM 932 O LEU A 110 8.415 3.339 2.164 1.00 0.00 O ATOM 933 CB LEU A 110 6.005 1.599 0.632 1.00 0.00 C ATOM 934 CG LEU A 110 4.783 1.752 -0.275 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.011 0.437 -0.381 1.00 0.00 C ATOM 936 CD2 LEU A 110 3.891 2.903 0.196 1.00 0.00 C ATOM 0 H LEU A 110 7.385 1.197 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 110 6.844 3.486 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.313 0.554 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.706 1.831 1.654 1.00 0.00 H new ATOM 0 HG LEU A 110 5.131 2.003 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.147 0.574 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.660 -0.334 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.674 0.132 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.030 2.990 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.549 2.706 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.458 3.834 0.178 1.00 0.00 H new ATOM 948 N GLU A 111 9.135 1.390 1.266 1.00 0.00 N ATOM 949 CA GLU A 111 10.219 1.222 2.220 1.00 0.00 C ATOM 950 C GLU A 111 11.291 2.291 1.999 1.00 0.00 C ATOM 951 O GLU A 111 11.852 2.821 2.956 1.00 0.00 O ATOM 952 CB GLU A 111 10.816 -0.182 2.129 1.00 0.00 C ATOM 953 CG GLU A 111 9.773 -1.246 2.481 1.00 0.00 C ATOM 954 CD GLU A 111 10.125 -1.946 3.795 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.061 -1.261 4.838 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.452 -3.151 3.726 1.00 0.00 O ATOM 0 H GLU A 111 9.064 0.651 0.566 1.00 0.00 H new ATOM 0 HA GLU A 111 9.815 1.344 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.192 -0.356 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.667 -0.264 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.790 -0.783 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.713 -1.981 1.678 1.00 0.00 H new ATOM 963 N GLU A 112 11.544 2.576 0.729 1.00 0.00 N ATOM 964 CA GLU A 112 12.513 3.597 0.371 1.00 0.00 C ATOM 965 C GLU A 112 12.152 4.927 1.034 1.00 0.00 C ATOM 966 O GLU A 112 13.034 5.691 1.424 1.00 0.00 O ATOM 967 CB GLU A 112 12.611 3.751 -1.148 1.00 0.00 C ATOM 968 CG GLU A 112 13.422 2.610 -1.765 1.00 0.00 C ATOM 969 CD GLU A 112 14.888 3.011 -1.940 1.00 0.00 C ATOM 970 OE1 GLU A 112 15.471 3.480 -0.938 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.392 2.841 -3.071 1.00 0.00 O ATOM 0 H GLU A 112 11.095 2.117 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 112 13.492 3.285 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.611 3.766 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.077 4.706 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.356 1.727 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.998 2.339 -2.732 1.00 0.00 H new ATOM 978 N ALA A 113 10.853 5.164 1.142 1.00 0.00 N ATOM 979 CA ALA A 113 10.364 6.400 1.730 1.00 0.00 C ATOM 980 C ALA A 113 10.408 6.286 3.256 1.00 0.00 C ATOM 981 O ALA A 113 10.646 7.274 3.949 1.00 0.00 O ATOM 982 CB ALA A 113 8.956 6.693 1.208 1.00 0.00 C ATOM 0 H ALA A 113 10.124 4.521 0.832 1.00 0.00 H new ATOM 0 HA ALA A 113 10.999 7.238 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.590 7.620 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.984 6.794 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.290 5.874 1.479 1.00 0.00 H new ATOM 988 N GLY A 114 10.176 5.073 3.734 1.00 0.00 N ATOM 989 CA GLY A 114 10.215 4.809 5.161 1.00 0.00 C ATOM 990 C GLY A 114 8.804 4.640 5.727 1.00 0.00 C ATOM 991 O GLY A 114 8.402 5.373 6.629 1.00 0.00 O ATOM 0 H GLY A 114 9.960 4.260 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.797 3.908 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.720 5.629 5.672 1.00 0.00 H new ATOM 995 N ALA A 115 8.093 3.670 5.174 1.00 0.00 N ATOM 996 CA ALA A 115 6.745 3.375 5.632 1.00 0.00 C ATOM 997 C ALA A 115 6.617 1.876 5.901 1.00 0.00 C ATOM 998 O ALA A 115 7.345 1.072 5.317 1.00 0.00 O ATOM 999 CB ALA A 115 5.733 3.870 4.595 1.00 0.00 C ATOM 0 H ALA A 115 8.424 3.077 4.413 1.00 0.00 H new ATOM 0 HA ALA A 115 6.536 3.896 6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.722 3.649 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.844 4.946 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.911 3.368 3.644 1.00 0.00 H new ATOM 1005 N GLU A 116 5.687 1.541 6.784 1.00 0.00 N ATOM 1006 CA GLU A 116 5.458 0.151 7.138 1.00 0.00 C ATOM 1007 C GLU A 116 4.262 -0.404 6.362 1.00 0.00 C ATOM 1008 O GLU A 116 3.146 0.100 6.491 1.00 0.00 O ATOM 1009 CB GLU A 116 5.253 -0.004 8.647 1.00 0.00 C ATOM 1010 CG GLU A 116 5.202 -1.480 9.045 1.00 0.00 C ATOM 1011 CD GLU A 116 6.607 -2.084 9.086 1.00 0.00 C ATOM 1012 OE1 GLU A 116 7.359 -1.710 10.011 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.897 -2.908 8.191 1.00 0.00 O ATOM 0 H GLU A 116 5.084 2.209 7.264 1.00 0.00 H new ATOM 0 HA GLU A 116 6.342 -0.424 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.064 0.492 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.327 0.489 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.730 -1.581 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.586 -2.031 8.335 1.00 0.00 H new ATOM 1020 N VAL A 117 4.533 -1.434 5.574 1.00 0.00 N ATOM 1021 CA VAL A 117 3.497 -2.048 4.761 1.00 0.00 C ATOM 1022 C VAL A 117 3.373 -3.527 5.136 1.00 0.00 C ATOM 1023 O VAL A 117 4.372 -4.187 5.415 1.00 0.00 O ATOM 1024 CB VAL A 117 3.799 -1.831 3.277 1.00 0.00 C ATOM 1025 CG1 VAL A 117 2.812 -2.602 2.399 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.793 -0.342 2.929 1.00 0.00 C ATOM 0 H VAL A 117 5.456 -1.859 5.481 1.00 0.00 H new ATOM 0 HA VAL A 117 2.531 -1.580 4.954 1.00 0.00 H new ATOM 0 HB VAL A 117 4.798 -2.218 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.049 -2.431 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.885 -3.667 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.798 -2.258 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.010 -0.215 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.813 0.080 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.552 0.173 3.519 1.00 0.00 H new ATOM 1036 N GLU A 118 2.135 -4.002 5.131 1.00 0.00 N ATOM 1037 CA GLU A 118 1.868 -5.393 5.462 1.00 0.00 C ATOM 1038 C GLU A 118 1.473 -6.170 4.205 1.00 0.00 C ATOM 1039 O GLU A 118 0.638 -5.714 3.423 1.00 0.00 O ATOM 1040 CB GLU A 118 0.784 -5.501 6.537 1.00 0.00 C ATOM 1041 CG GLU A 118 0.367 -6.957 6.748 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.553 -7.092 7.964 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -1.658 -6.512 7.908 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -0.129 -7.773 8.923 1.00 0.00 O ATOM 0 H GLU A 118 1.308 -3.450 4.904 1.00 0.00 H new ATOM 0 HA GLU A 118 2.780 -5.833 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.153 -5.085 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.083 -4.909 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.143 -7.326 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.253 -7.577 6.887 1.00 0.00 H new ATOM 1051 N VAL A 119 2.090 -7.331 4.047 1.00 0.00 N ATOM 1052 CA VAL A 119 1.804 -8.184 2.907 1.00 0.00 C ATOM 1053 C VAL A 119 0.999 -9.398 3.373 1.00 0.00 C ATOM 1054 O VAL A 119 1.424 -10.120 4.273 1.00 0.00 O ATOM 1055 CB VAL A 119 3.104 -8.565 2.198 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.831 -9.491 1.011 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.873 -7.319 1.755 1.00 0.00 C ATOM 0 H VAL A 119 2.789 -7.702 4.691 1.00 0.00 H new ATOM 0 HA VAL A 119 1.196 -7.652 2.176 1.00 0.00 H new ATOM 0 HB VAL A 119 3.726 -9.107 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.772 -9.746 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.346 -10.401 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.180 -8.986 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.793 -7.619 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.258 -6.737 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.116 -6.712 2.627 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.150 -9.585 2.740 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.013 -10.708 3.070 1.00 0.00 C ATOM 1069 C LYS A 120 -1.176 -11.600 1.838 1.00 0.00 C ATOM 1070 O LYS A 120 -0.517 -11.387 0.822 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.339 -10.212 3.651 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.610 -10.844 5.017 1.00 0.00 C ATOM 1073 CD LYS A 120 -1.857 -10.102 6.124 1.00 0.00 C ATOM 1074 CE LYS A 120 -1.636 -11.006 7.337 1.00 0.00 C ATOM 1075 NZ LYS A 120 -1.187 -10.210 8.503 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.035 -12.553 1.965 1.00 0.00 O ATOM 0 H LYS A 120 -0.504 -8.978 2.000 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.560 -11.321 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.315 -9.127 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.153 -10.453 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.680 -10.825 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.306 -11.891 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.896 -9.754 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -2.420 -9.218 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -2.560 -11.529 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -0.892 -11.767 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -0.817 -10.847 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.438 -9.552 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -1.990 -9.671 8.885 1.00 0.00 H new