USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 667 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 93 ASN : amide:sc= -5.01! C(o=-5!,f=-5.5!) USER MOD Set 1.2: A 95 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0063) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 146:sc= -0.0691 (180deg=-0.356) USER MOD Single : A 48 GLN : amide:sc= 0.154 K(o=0.15,f=-4.2!) USER MOD Single : A 51 MET CE :methyl 180:sc= -2.55 (180deg=-2.55) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.65 K(o=-2.7,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 6:sc= -0.028 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-3.6!) USER MOD Single : A 82 ASN : amide:sc= -4.64! K(o=-4.6!,f=-0.91) USER MOD Single : A 84 LYS NZ :NH3+ -114:sc= -0.388 (180deg=-0.64) USER MOD Single : A 86 LYS NZ :NH3+ -126:sc= -1.48! (180deg=-4.62!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.255 -1.079 -11.972 1.00 0.00 N ATOM 143 CA GLU A 10 -8.501 -2.312 -12.108 1.00 0.00 C ATOM 144 C GLU A 10 -9.413 -3.523 -12.274 1.00 0.00 C ATOM 145 O GLU A 10 -10.522 -3.564 -11.741 1.00 0.00 O ATOM 146 CB GLU A 10 -7.568 -2.507 -10.911 1.00 0.00 C ATOM 147 CG GLU A 10 -8.191 -2.174 -9.561 1.00 0.00 C ATOM 148 CD GLU A 10 -9.559 -2.800 -9.368 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.625 -4.033 -9.176 1.00 0.00 O ATOM 150 OE2 GLU A 10 -10.562 -2.057 -9.404 1.00 0.00 O ATOM 0 HA GLU A 10 -7.901 -2.227 -13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.231 -3.543 -10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.683 -1.886 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.527 -2.514 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.276 -1.092 -9.463 1.00 0.00 H new ATOM 157 N LYS A 11 -8.929 -4.510 -13.024 1.00 0.00 N ATOM 158 CA LYS A 11 -9.684 -5.732 -13.271 1.00 0.00 C ATOM 159 C LYS A 11 -9.837 -6.535 -11.978 1.00 0.00 C ATOM 160 O LYS A 11 -9.759 -5.975 -10.886 1.00 0.00 O ATOM 161 CB LYS A 11 -8.981 -6.570 -14.344 1.00 0.00 C ATOM 162 CG LYS A 11 -8.864 -5.870 -15.688 1.00 0.00 C ATOM 163 CD LYS A 11 -8.253 -6.783 -16.737 1.00 0.00 C ATOM 164 CE LYS A 11 -7.652 -5.991 -17.888 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.690 -5.229 -18.638 1.00 0.00 N ATOM 0 H LYS A 11 -8.013 -4.485 -13.472 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.679 -5.467 -13.628 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.983 -6.831 -13.992 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.526 -7.504 -14.477 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.851 -5.544 -16.017 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.252 -4.975 -15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.481 -7.400 -16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.017 -7.460 -17.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.903 -5.300 -17.501 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.138 -6.671 -18.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.246 -4.729 -19.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.410 -5.887 -19.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.140 -4.538 -18.004 1.00 0.00 H new ATOM 179 N ASP A 12 -10.055 -7.842 -12.100 1.00 0.00 N ATOM 180 CA ASP A 12 -10.209 -8.698 -10.930 1.00 0.00 C ATOM 181 C ASP A 12 -9.322 -9.934 -11.028 1.00 0.00 C ATOM 182 O ASP A 12 -9.560 -10.936 -10.354 1.00 0.00 O ATOM 183 CB ASP A 12 -11.673 -9.114 -10.767 1.00 0.00 C ATOM 184 CG ASP A 12 -12.494 -8.068 -10.037 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.383 -6.875 -10.387 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.250 -8.443 -9.116 1.00 0.00 O ATOM 0 H ASP A 12 -10.129 -8.328 -12.994 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.899 -8.128 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.109 -9.293 -11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.721 -10.056 -10.221 1.00 0.00 H new ATOM 191 N GLY A 13 -8.305 -9.864 -11.883 1.00 0.00 N ATOM 192 CA GLY A 13 -7.402 -10.989 -12.060 1.00 0.00 C ATOM 193 C GLY A 13 -6.055 -10.775 -11.396 1.00 0.00 C ATOM 194 O GLY A 13 -5.931 -9.978 -10.466 1.00 0.00 O ATOM 0 H GLY A 13 -8.090 -9.048 -12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.864 -11.887 -11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.252 -11.164 -13.125 1.00 0.00 H new ATOM 198 N ALA A 14 -5.047 -11.505 -11.867 1.00 0.00 N ATOM 199 CA ALA A 14 -3.699 -11.414 -11.312 1.00 0.00 C ATOM 200 C ALA A 14 -3.017 -10.094 -11.671 1.00 0.00 C ATOM 201 O ALA A 14 -3.633 -9.202 -12.254 1.00 0.00 O ATOM 202 CB ALA A 14 -2.862 -12.590 -11.790 1.00 0.00 C ATOM 0 H ALA A 14 -5.139 -12.169 -12.636 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.785 -11.447 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.858 -12.516 -11.372 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.323 -13.522 -11.463 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.804 -12.577 -12.878 1.00 0.00 H new ATOM 208 N VAL A 15 -1.721 -10.007 -11.368 1.00 0.00 N ATOM 209 CA VAL A 15 -0.931 -8.826 -11.710 1.00 0.00 C ATOM 210 C VAL A 15 -0.760 -8.709 -13.220 1.00 0.00 C ATOM 211 O VAL A 15 -0.715 -9.719 -13.923 1.00 0.00 O ATOM 212 CB VAL A 15 0.459 -8.837 -11.047 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.267 -10.044 -11.503 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.203 -7.543 -11.344 1.00 0.00 C ATOM 0 H VAL A 15 -1.198 -10.739 -10.887 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.483 -7.966 -11.330 1.00 0.00 H new ATOM 0 HB VAL A 15 0.323 -8.912 -9.968 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.245 -10.030 -11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.741 -10.959 -11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.395 -10.009 -12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.183 -7.569 -10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.326 -7.433 -12.421 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.633 -6.699 -10.956 1.00 0.00 H new ATOM 224 N GLU A 16 -0.621 -7.487 -13.714 1.00 0.00 N ATOM 225 CA GLU A 16 -0.405 -7.261 -15.135 1.00 0.00 C ATOM 226 C GLU A 16 0.683 -6.207 -15.336 1.00 0.00 C ATOM 227 O GLU A 16 1.063 -5.511 -14.394 1.00 0.00 O ATOM 228 CB GLU A 16 -1.701 -6.847 -15.837 1.00 0.00 C ATOM 229 CG GLU A 16 -2.502 -8.026 -16.365 1.00 0.00 C ATOM 230 CD GLU A 16 -3.597 -7.609 -17.326 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.297 -6.856 -18.276 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.753 -8.039 -17.131 1.00 0.00 O ATOM 0 H GLU A 16 -0.654 -6.637 -13.151 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.076 -8.198 -15.585 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.318 -6.280 -15.140 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.461 -6.180 -16.665 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.829 -8.721 -16.868 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.946 -8.563 -15.526 1.00 0.00 H new ATOM 239 N ALA A 17 1.203 -6.138 -16.559 1.00 0.00 N ATOM 240 CA ALA A 17 2.291 -5.214 -16.908 1.00 0.00 C ATOM 241 C ALA A 17 2.401 -4.041 -15.922 1.00 0.00 C ATOM 242 O ALA A 17 3.334 -3.993 -15.120 1.00 0.00 O ATOM 243 CB ALA A 17 2.098 -4.693 -18.326 1.00 0.00 C ATOM 0 H ALA A 17 0.887 -6.717 -17.337 1.00 0.00 H new ATOM 0 HA ALA A 17 3.224 -5.773 -16.847 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.909 -4.009 -18.576 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.101 -5.530 -19.025 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.146 -4.167 -18.394 1.00 0.00 H new ATOM 249 N GLU A 18 1.476 -3.087 -15.994 1.00 0.00 N ATOM 250 CA GLU A 18 1.528 -1.917 -15.109 1.00 0.00 C ATOM 251 C GLU A 18 0.299 -1.820 -14.201 1.00 0.00 C ATOM 252 O GLU A 18 -0.569 -0.971 -14.400 1.00 0.00 O ATOM 253 CB GLU A 18 1.654 -0.639 -15.941 1.00 0.00 C ATOM 254 CG GLU A 18 2.750 -0.707 -16.991 1.00 0.00 C ATOM 255 CD GLU A 18 3.358 0.650 -17.291 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.619 1.657 -17.234 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.570 0.705 -17.584 1.00 0.00 O ATOM 0 H GLU A 18 0.690 -3.096 -16.645 1.00 0.00 H new ATOM 0 HA GLU A 18 2.402 -2.034 -14.469 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.702 -0.439 -16.433 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.851 0.201 -15.275 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.533 -1.384 -16.650 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.342 -1.129 -17.909 1.00 0.00 H new ATOM 264 N ASP A 19 0.229 -2.713 -13.211 1.00 0.00 N ATOM 265 CA ASP A 19 -0.896 -2.753 -12.275 1.00 0.00 C ATOM 266 C ASP A 19 -0.575 -2.072 -10.938 1.00 0.00 C ATOM 267 O ASP A 19 0.452 -1.410 -10.791 1.00 0.00 O ATOM 268 CB ASP A 19 -1.268 -4.207 -12.015 1.00 0.00 C ATOM 269 CG ASP A 19 -1.852 -4.877 -13.238 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.614 -4.377 -14.359 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.548 -5.901 -13.075 1.00 0.00 O ATOM 0 H ASP A 19 0.942 -3.421 -13.037 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.723 -2.208 -12.729 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.382 -4.754 -11.692 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.988 -4.255 -11.198 1.00 0.00 H new ATOM 276 N ARG A 20 -1.469 -2.270 -9.959 1.00 0.00 N ATOM 277 CA ARG A 20 -1.309 -1.721 -8.611 1.00 0.00 C ATOM 278 C ARG A 20 -1.951 -2.674 -7.599 1.00 0.00 C ATOM 279 O ARG A 20 -3.174 -2.805 -7.555 1.00 0.00 O ATOM 280 CB ARG A 20 -1.965 -0.341 -8.496 1.00 0.00 C ATOM 281 CG ARG A 20 -1.083 0.820 -8.934 1.00 0.00 C ATOM 282 CD ARG A 20 -0.542 1.614 -7.751 1.00 0.00 C ATOM 283 NE ARG A 20 -0.183 2.982 -8.149 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.701 4.090 -7.617 1.00 0.00 C ATOM 285 NH1 ARG A 20 -1.598 4.027 -6.642 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.318 5.277 -8.072 1.00 0.00 N ATOM 0 H ARG A 20 -2.322 -2.815 -10.082 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.244 -1.613 -8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.875 -0.335 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.265 -0.181 -7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.250 0.438 -9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.655 1.483 -9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.290 1.647 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.333 1.110 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 20 0.513 3.092 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.903 3.121 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.983 4.885 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.368 5.338 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.710 6.128 -7.670 1.00 0.00 H new ATOM 300 N VAL A 21 -1.131 -3.334 -6.786 1.00 0.00 N ATOM 301 CA VAL A 21 -1.625 -4.272 -5.777 1.00 0.00 C ATOM 302 C VAL A 21 -1.821 -3.596 -4.418 1.00 0.00 C ATOM 303 O VAL A 21 -1.316 -2.498 -4.184 1.00 0.00 O ATOM 304 CB VAL A 21 -0.647 -5.453 -5.610 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.480 -6.209 -6.921 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.701 -4.961 -5.108 1.00 0.00 C ATOM 0 H VAL A 21 -0.116 -3.237 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.591 -4.635 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.065 -6.137 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.214 -7.037 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.446 -6.597 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.088 -5.535 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.379 -5.807 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.120 -4.253 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.573 -4.469 -4.144 1.00 0.00 H new ATOM 316 N THR A 22 -2.523 -4.278 -3.510 1.00 0.00 N ATOM 317 CA THR A 22 -2.740 -3.763 -2.163 1.00 0.00 C ATOM 318 C THR A 22 -1.999 -4.649 -1.171 1.00 0.00 C ATOM 319 O THR A 22 -2.323 -5.827 -1.028 1.00 0.00 O ATOM 320 CB THR A 22 -4.229 -3.729 -1.818 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.925 -2.834 -2.667 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.493 -3.308 -0.386 1.00 0.00 C ATOM 0 H THR A 22 -2.949 -5.188 -3.686 1.00 0.00 H new ATOM 0 HA THR A 22 -2.361 -2.742 -2.111 1.00 0.00 H new ATOM 0 HB THR A 22 -4.584 -4.750 -1.956 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.876 -2.830 -2.429 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.567 -3.303 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.011 -4.010 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.091 -2.308 -0.221 1.00 0.00 H new ATOM 330 N ILE A 23 -0.980 -4.104 -0.519 1.00 0.00 N ATOM 331 CA ILE A 23 -0.191 -4.894 0.416 1.00 0.00 C ATOM 332 C ILE A 23 0.013 -4.215 1.769 1.00 0.00 C ATOM 333 O ILE A 23 0.123 -2.993 1.861 1.00 0.00 O ATOM 334 CB ILE A 23 1.198 -5.207 -0.170 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.951 -3.923 -0.499 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.083 -6.090 -1.400 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.308 -3.865 0.162 1.00 0.00 C ATOM 0 H ILE A 23 -0.684 -3.133 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.766 -5.806 0.575 1.00 0.00 H new ATOM 0 HB ILE A 23 1.765 -5.751 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.073 -3.843 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.358 -3.066 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.078 -6.296 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.598 -7.028 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.490 -5.580 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.803 -2.931 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.188 -3.916 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.914 -4.706 -0.176 1.00 0.00 H new ATOM 349 N ASP A 24 0.115 -5.045 2.807 1.00 0.00 N ATOM 350 CA ASP A 24 0.371 -4.581 4.170 1.00 0.00 C ATOM 351 C ASP A 24 1.718 -5.152 4.612 1.00 0.00 C ATOM 352 O ASP A 24 1.964 -6.345 4.436 1.00 0.00 O ATOM 353 CB ASP A 24 -0.731 -5.048 5.131 1.00 0.00 C ATOM 354 CG ASP A 24 -0.825 -6.557 5.230 1.00 0.00 C ATOM 355 OD1 ASP A 24 -0.039 -7.152 5.996 1.00 0.00 O ATOM 356 OD2 ASP A 24 -1.687 -7.144 4.542 1.00 0.00 O ATOM 0 H ASP A 24 0.022 -6.058 2.726 1.00 0.00 H new ATOM 0 HA ASP A 24 0.384 -3.491 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.541 -4.635 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.690 -4.650 4.798 1.00 0.00 H new ATOM 361 N PHE A 25 2.605 -4.320 5.151 1.00 0.00 N ATOM 362 CA PHE A 25 3.921 -4.818 5.554 1.00 0.00 C ATOM 363 C PHE A 25 4.456 -4.145 6.811 1.00 0.00 C ATOM 364 O PHE A 25 3.941 -3.125 7.257 1.00 0.00 O ATOM 365 CB PHE A 25 4.918 -4.627 4.412 1.00 0.00 C ATOM 366 CG PHE A 25 5.260 -3.189 4.128 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.060 -2.463 4.998 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.772 -2.559 2.995 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.362 -1.136 4.742 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.070 -1.236 2.740 1.00 0.00 C ATOM 371 CZ PHE A 25 5.863 -0.525 3.610 1.00 0.00 C ATOM 0 H PHE A 25 2.447 -3.326 5.316 1.00 0.00 H new ATOM 0 HA PHE A 25 3.799 -5.876 5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.834 -5.167 4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.509 -5.077 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.452 -2.938 5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.151 -3.109 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.986 -0.581 5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.679 -0.757 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.095 0.510 3.407 1.00 0.00 H new ATOM 381 N THR A 26 5.504 -4.743 7.376 1.00 0.00 N ATOM 382 CA THR A 26 6.135 -4.220 8.586 1.00 0.00 C ATOM 383 C THR A 26 7.638 -4.510 8.587 1.00 0.00 C ATOM 384 O THR A 26 8.054 -5.668 8.621 1.00 0.00 O ATOM 385 CB THR A 26 5.479 -4.827 9.829 1.00 0.00 C ATOM 386 OG1 THR A 26 4.101 -4.500 9.879 1.00 0.00 O ATOM 387 CG2 THR A 26 6.106 -4.363 11.127 1.00 0.00 C ATOM 0 H THR A 26 5.935 -5.593 7.013 1.00 0.00 H new ATOM 0 HA THR A 26 5.996 -3.139 8.604 1.00 0.00 H new ATOM 0 HB THR A 26 5.629 -5.903 9.736 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.699 -4.898 10.679 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.593 -4.832 11.967 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.159 -4.643 11.143 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.018 -3.280 11.207 1.00 0.00 H new ATOM 395 N GLY A 27 8.447 -3.451 8.544 1.00 0.00 N ATOM 396 CA GLY A 27 9.892 -3.620 8.534 1.00 0.00 C ATOM 397 C GLY A 27 10.653 -2.350 8.877 1.00 0.00 C ATOM 398 O GLY A 27 10.078 -1.264 8.938 1.00 0.00 O ATOM 0 H GLY A 27 8.128 -2.482 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.164 -4.400 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.203 -3.965 7.548 1.00 0.00 H new ATOM 402 N SER A 28 11.955 -2.501 9.105 1.00 0.00 N ATOM 403 CA SER A 28 12.825 -1.374 9.447 1.00 0.00 C ATOM 404 C SER A 28 13.796 -1.051 8.320 1.00 0.00 C ATOM 405 O SER A 28 13.889 -1.778 7.332 1.00 0.00 O ATOM 406 CB SER A 28 13.631 -1.693 10.710 1.00 0.00 C ATOM 407 OG SER A 28 12.969 -2.656 11.510 1.00 0.00 O ATOM 0 H SER A 28 12.436 -3.399 9.059 1.00 0.00 H new ATOM 0 HA SER A 28 12.182 -0.510 9.616 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.617 -2.064 10.431 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.785 -0.781 11.287 1.00 0.00 H new ATOM 0 HG SER A 28 13.506 -2.843 12.309 1.00 0.00 H new ATOM 413 N VAL A 29 14.535 0.040 8.504 1.00 0.00 N ATOM 414 CA VAL A 29 15.530 0.479 7.538 1.00 0.00 C ATOM 415 C VAL A 29 16.946 0.192 8.049 1.00 0.00 C ATOM 416 O VAL A 29 17.533 -0.828 7.692 1.00 0.00 O ATOM 417 CB VAL A 29 15.342 1.977 7.165 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.112 2.850 8.394 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.509 2.496 6.334 1.00 0.00 C ATOM 0 H VAL A 29 14.459 0.641 9.325 1.00 0.00 H new ATOM 0 HA VAL A 29 15.386 -0.094 6.622 1.00 0.00 H new ATOM 0 HB VAL A 29 14.442 2.038 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.986 3.888 8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.215 2.515 8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.970 2.772 9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.344 3.546 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.434 2.396 6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.585 1.918 5.413 1.00 0.00 H new ATOM 429 N ASP A 30 17.490 1.067 8.889 1.00 0.00 N ATOM 430 CA ASP A 30 18.824 0.856 9.435 1.00 0.00 C ATOM 431 C ASP A 30 18.739 0.188 10.805 1.00 0.00 C ATOM 432 O ASP A 30 19.491 0.528 11.719 1.00 0.00 O ATOM 433 CB ASP A 30 19.579 2.184 9.545 1.00 0.00 C ATOM 434 CG ASP A 30 18.772 3.257 10.251 1.00 0.00 C ATOM 435 OD1 ASP A 30 18.764 3.266 11.499 1.00 0.00 O ATOM 436 OD2 ASP A 30 18.151 4.087 9.556 1.00 0.00 O ATOM 0 H ASP A 30 17.031 1.922 9.204 1.00 0.00 H new ATOM 0 HA ASP A 30 19.370 0.201 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 30 20.513 2.023 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.843 2.531 8.546 1.00 0.00 H new ATOM 441 N GLY A 31 17.811 -0.757 10.947 1.00 0.00 N ATOM 442 CA GLY A 31 17.642 -1.442 12.214 1.00 0.00 C ATOM 443 C GLY A 31 16.530 -0.837 13.053 1.00 0.00 C ATOM 444 O GLY A 31 16.178 -1.373 14.105 1.00 0.00 O ATOM 0 H GLY A 31 17.176 -1.058 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.424 -2.494 12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.577 -1.404 12.773 1.00 0.00 H new ATOM 448 N GLU A 32 15.975 0.276 12.583 1.00 0.00 N ATOM 449 CA GLU A 32 14.895 0.954 13.287 1.00 0.00 C ATOM 450 C GLU A 32 13.793 1.357 12.310 1.00 0.00 C ATOM 451 O GLU A 32 13.991 2.222 11.458 1.00 0.00 O ATOM 452 CB GLU A 32 15.429 2.188 14.019 1.00 0.00 C ATOM 453 CG GLU A 32 16.610 1.890 14.929 1.00 0.00 C ATOM 454 CD GLU A 32 17.546 3.073 15.079 1.00 0.00 C ATOM 455 OE1 GLU A 32 18.241 3.409 14.097 1.00 0.00 O ATOM 456 OE2 GLU A 32 17.585 3.665 16.178 1.00 0.00 O ATOM 0 H GLU A 32 16.258 0.728 11.714 1.00 0.00 H new ATOM 0 HA GLU A 32 14.476 0.266 14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.727 2.936 13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.625 2.625 14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.241 1.597 15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.165 1.041 14.531 1.00 0.00 H new ATOM 463 N GLU A 33 12.635 0.714 12.435 1.00 0.00 N ATOM 464 CA GLU A 33 11.505 0.988 11.562 1.00 0.00 C ATOM 465 C GLU A 33 11.141 2.454 11.625 1.00 0.00 C ATOM 466 O GLU A 33 10.811 2.984 12.686 1.00 0.00 O ATOM 467 CB GLU A 33 10.304 0.130 11.960 1.00 0.00 C ATOM 468 CG GLU A 33 9.991 0.178 13.445 1.00 0.00 C ATOM 469 CD GLU A 33 9.604 -1.175 14.008 1.00 0.00 C ATOM 470 OE1 GLU A 33 10.511 -2.000 14.245 1.00 0.00 O ATOM 471 OE2 GLU A 33 8.395 -1.410 14.213 1.00 0.00 O ATOM 0 H GLU A 33 12.458 -0.004 13.138 1.00 0.00 H new ATOM 0 HA GLU A 33 11.787 0.739 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.429 0.462 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.494 -0.903 11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.861 0.555 13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.179 0.884 13.618 1.00 0.00 H new ATOM 478 N PHE A 34 11.246 3.112 10.485 1.00 0.00 N ATOM 479 CA PHE A 34 10.978 4.547 10.377 1.00 0.00 C ATOM 480 C PHE A 34 9.489 4.857 10.234 1.00 0.00 C ATOM 481 O PHE A 34 8.653 4.249 10.902 1.00 0.00 O ATOM 482 CB PHE A 34 11.795 5.123 9.198 1.00 0.00 C ATOM 483 CG PHE A 34 11.334 4.706 7.816 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.198 3.368 7.471 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.051 5.667 6.853 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.785 2.999 6.203 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.641 5.303 5.584 1.00 0.00 C ATOM 488 CZ PHE A 34 10.506 3.967 5.260 1.00 0.00 C ATOM 0 H PHE A 34 11.519 2.674 9.605 1.00 0.00 H new ATOM 0 HA PHE A 34 11.290 5.027 11.305 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.767 6.211 9.258 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.836 4.823 9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.418 2.605 8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.153 6.714 7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.681 1.954 5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.426 6.062 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.183 3.681 4.270 1.00 0.00 H new ATOM 498 N GLU A 35 9.167 5.787 9.353 1.00 0.00 N ATOM 499 CA GLU A 35 7.783 6.174 9.097 1.00 0.00 C ATOM 500 C GLU A 35 7.036 5.066 8.366 1.00 0.00 C ATOM 501 O GLU A 35 6.016 4.565 8.840 1.00 0.00 O ATOM 502 CB GLU A 35 7.731 7.462 8.272 1.00 0.00 C ATOM 503 CG GLU A 35 8.448 8.638 8.918 1.00 0.00 C ATOM 504 CD GLU A 35 7.513 9.791 9.231 1.00 0.00 C ATOM 505 OE1 GLU A 35 7.117 10.507 8.287 1.00 0.00 O ATOM 506 OE2 GLU A 35 7.180 9.978 10.420 1.00 0.00 O ATOM 0 H GLU A 35 9.852 6.296 8.794 1.00 0.00 H new ATOM 0 HA GLU A 35 7.300 6.346 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.173 7.273 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.688 7.732 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.929 8.305 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.239 8.986 8.253 1.00 0.00 H new ATOM 513 N GLY A 36 7.553 4.695 7.196 1.00 0.00 N ATOM 514 CA GLY A 36 6.927 3.655 6.401 1.00 0.00 C ATOM 515 C GLY A 36 7.379 2.266 6.778 1.00 0.00 C ATOM 516 O GLY A 36 7.269 1.344 5.975 1.00 0.00 O ATOM 0 H GLY A 36 8.395 5.098 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.845 3.721 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.148 3.829 5.348 1.00 0.00 H new ATOM 520 N GLY A 37 7.876 2.099 8.000 1.00 0.00 N ATOM 521 CA GLY A 37 8.310 0.788 8.428 1.00 0.00 C ATOM 522 C GLY A 37 7.191 -0.222 8.300 1.00 0.00 C ATOM 523 O GLY A 37 7.376 -1.295 7.727 1.00 0.00 O ATOM 0 H GLY A 37 7.984 2.841 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.163 0.469 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.648 0.833 9.463 1.00 0.00 H new ATOM 527 N LYS A 38 6.022 0.125 8.827 1.00 0.00 N ATOM 528 CA LYS A 38 4.868 -0.760 8.763 1.00 0.00 C ATOM 529 C LYS A 38 3.687 -0.084 8.072 1.00 0.00 C ATOM 530 O LYS A 38 3.325 1.048 8.394 1.00 0.00 O ATOM 531 CB LYS A 38 4.466 -1.210 10.168 1.00 0.00 C ATOM 532 CG LYS A 38 4.169 -0.055 11.111 1.00 0.00 C ATOM 533 CD LYS A 38 3.513 -0.535 12.397 1.00 0.00 C ATOM 534 CE LYS A 38 2.101 0.010 12.539 1.00 0.00 C ATOM 535 NZ LYS A 38 1.758 0.316 13.956 1.00 0.00 N ATOM 0 H LYS A 38 5.850 1.011 9.302 1.00 0.00 H new ATOM 0 HA LYS A 38 5.150 -1.633 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.585 -1.848 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.267 -1.817 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.095 0.469 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.515 0.662 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.486 -1.625 12.408 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.113 -0.222 13.252 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.000 0.914 11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.391 -0.716 12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.787 0.685 14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.829 -0.551 14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.419 1.028 14.327 1.00 0.00 H new ATOM 549 N ALA A 39 3.094 -0.798 7.121 1.00 0.00 N ATOM 550 CA ALA A 39 1.953 -0.299 6.368 1.00 0.00 C ATOM 551 C ALA A 39 0.865 -1.366 6.291 1.00 0.00 C ATOM 552 O ALA A 39 1.142 -2.556 6.438 1.00 0.00 O ATOM 553 CB ALA A 39 2.387 0.120 4.969 1.00 0.00 C ATOM 0 H ALA A 39 3.391 -1.736 6.852 1.00 0.00 H new ATOM 0 HA ALA A 39 1.548 0.573 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.524 0.491 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.138 0.907 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.810 -0.738 4.447 1.00 0.00 H new ATOM 559 N SER A 40 -0.372 -0.939 6.068 1.00 0.00 N ATOM 560 CA SER A 40 -1.489 -1.872 5.985 1.00 0.00 C ATOM 561 C SER A 40 -2.085 -1.901 4.584 1.00 0.00 C ATOM 562 O SER A 40 -2.079 -2.933 3.917 1.00 0.00 O ATOM 563 CB SER A 40 -2.570 -1.502 7.002 1.00 0.00 C ATOM 564 OG SER A 40 -3.314 -2.642 7.396 1.00 0.00 O ATOM 0 H SER A 40 -0.626 0.041 5.942 1.00 0.00 H new ATOM 0 HA SER A 40 -1.106 -2.867 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.108 -1.045 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.240 -0.758 6.570 1.00 0.00 H new ATOM 0 HG SER A 40 -3.997 -2.378 8.047 1.00 0.00 H new ATOM 570 N ASP A 41 -2.550 -0.755 4.118 1.00 0.00 N ATOM 571 CA ASP A 41 -3.092 -0.624 2.783 1.00 0.00 C ATOM 572 C ASP A 41 -2.060 0.048 1.902 1.00 0.00 C ATOM 573 O ASP A 41 -2.229 1.205 1.512 1.00 0.00 O ATOM 574 CB ASP A 41 -4.389 0.188 2.798 1.00 0.00 C ATOM 575 CG ASP A 41 -5.542 -0.579 3.413 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.964 -1.594 2.821 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.025 -0.162 4.487 1.00 0.00 O ATOM 0 H ASP A 41 -2.561 0.110 4.658 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.326 -1.614 2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.231 1.111 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.648 0.473 1.778 1.00 0.00 H new ATOM 582 N PHE A 42 -1.000 -0.661 1.578 1.00 0.00 N ATOM 583 CA PHE A 42 0.036 -0.094 0.726 1.00 0.00 C ATOM 584 C PHE A 42 -0.243 -0.439 -0.722 1.00 0.00 C ATOM 585 O PHE A 42 -0.013 -1.568 -1.161 1.00 0.00 O ATOM 586 CB PHE A 42 1.432 -0.584 1.134 1.00 0.00 C ATOM 587 CG PHE A 42 2.544 0.206 0.496 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.481 1.590 0.443 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.647 -0.430 -0.058 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.493 2.325 -0.146 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.662 0.302 -0.649 1.00 0.00 C ATOM 592 CZ PHE A 42 4.584 1.680 -0.693 1.00 0.00 C ATOM 0 H PHE A 42 -0.829 -1.619 1.884 1.00 0.00 H new ATOM 0 HA PHE A 42 0.020 0.989 0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.529 -0.526 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.537 -1.634 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.630 2.101 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.714 -1.508 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.430 3.403 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.515 -0.204 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.375 2.252 -1.155 1.00 0.00 H new ATOM 602 N VAL A 43 -0.742 0.539 -1.467 1.00 0.00 N ATOM 603 CA VAL A 43 -1.055 0.345 -2.863 1.00 0.00 C ATOM 604 C VAL A 43 0.205 0.433 -3.716 1.00 0.00 C ATOM 605 O VAL A 43 0.679 1.519 -4.049 1.00 0.00 O ATOM 606 CB VAL A 43 -2.095 1.377 -3.331 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.555 2.798 -3.233 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.565 1.059 -4.743 1.00 0.00 C ATOM 0 H VAL A 43 -0.937 1.477 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.479 -0.652 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.955 1.314 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.316 3.501 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.294 3.017 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.668 2.894 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.300 1.800 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.714 1.081 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.018 0.068 -4.761 1.00 0.00 H new ATOM 618 N LEU A 44 0.753 -0.722 -4.056 1.00 0.00 N ATOM 619 CA LEU A 44 1.963 -0.776 -4.854 1.00 0.00 C ATOM 620 C LEU A 44 1.623 -0.799 -6.332 1.00 0.00 C ATOM 621 O LEU A 44 0.678 -1.463 -6.750 1.00 0.00 O ATOM 622 CB LEU A 44 2.788 -2.008 -4.487 1.00 0.00 C ATOM 623 CG LEU A 44 4.276 -1.747 -4.248 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.034 -3.057 -4.182 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.852 -0.855 -5.339 1.00 0.00 C ATOM 0 H LEU A 44 0.378 -1.633 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 44 2.553 0.117 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.365 -2.454 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.688 -2.744 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 44 4.384 -1.230 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.092 -2.857 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.643 -3.663 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.913 -3.595 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.911 -0.684 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.732 -1.341 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.325 0.099 -5.345 1.00 0.00 H new ATOM 637 N ALA A 45 2.400 -0.066 -7.114 1.00 0.00 N ATOM 638 CA ALA A 45 2.188 0.011 -8.551 1.00 0.00 C ATOM 639 C ALA A 45 3.186 -0.870 -9.297 1.00 0.00 C ATOM 640 O ALA A 45 4.359 -0.520 -9.419 1.00 0.00 O ATOM 641 CB ALA A 45 2.316 1.453 -9.014 1.00 0.00 C ATOM 0 H ALA A 45 3.187 0.487 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 45 1.184 -0.351 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.156 1.505 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.571 2.066 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.313 1.824 -8.777 1.00 0.00 H new ATOM 647 N MET A 46 2.721 -2.011 -9.790 1.00 0.00 N ATOM 648 CA MET A 46 3.586 -2.933 -10.516 1.00 0.00 C ATOM 649 C MET A 46 4.016 -2.343 -11.855 1.00 0.00 C ATOM 650 O MET A 46 3.485 -2.702 -12.904 1.00 0.00 O ATOM 651 CB MET A 46 2.885 -4.275 -10.724 1.00 0.00 C ATOM 652 CG MET A 46 3.492 -5.396 -9.897 1.00 0.00 C ATOM 653 SD MET A 46 4.611 -6.439 -10.853 1.00 0.00 S ATOM 654 CE MET A 46 6.072 -5.405 -10.915 1.00 0.00 C ATOM 0 H MET A 46 1.753 -2.320 -9.701 1.00 0.00 H new ATOM 0 HA MET A 46 4.481 -3.097 -9.916 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.831 -4.172 -10.468 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.931 -4.543 -11.779 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.033 -4.968 -9.053 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.693 -6.011 -9.484 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.963 -6.033 -10.896 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.062 -4.816 -11.832 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.081 -4.736 -10.054 1.00 0.00 H new ATOM 664 N GLY A 47 4.991 -1.442 -11.796 1.00 0.00 N ATOM 665 CA GLY A 47 5.500 -0.806 -12.997 1.00 0.00 C ATOM 666 C GLY A 47 5.023 0.625 -13.159 1.00 0.00 C ATOM 667 O GLY A 47 4.204 0.917 -14.030 1.00 0.00 O ATOM 0 H GLY A 47 5.440 -1.139 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.590 -0.819 -12.974 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.192 -1.386 -13.867 1.00 0.00 H new ATOM 671 N GLN A 48 5.540 1.517 -12.322 1.00 0.00 N ATOM 672 CA GLN A 48 5.170 2.928 -12.381 1.00 0.00 C ATOM 673 C GLN A 48 6.415 3.802 -12.477 1.00 0.00 C ATOM 674 O GLN A 48 6.674 4.423 -13.508 1.00 0.00 O ATOM 675 CB GLN A 48 4.353 3.317 -11.146 1.00 0.00 C ATOM 676 CG GLN A 48 2.869 3.489 -11.427 1.00 0.00 C ATOM 677 CD GLN A 48 2.572 4.706 -12.282 1.00 0.00 C ATOM 678 OE1 GLN A 48 1.895 4.610 -13.305 1.00 0.00 O ATOM 679 NE2 GLN A 48 3.079 5.860 -11.865 1.00 0.00 N ATOM 0 H GLN A 48 6.217 1.289 -11.594 1.00 0.00 H new ATOM 0 HA GLN A 48 4.561 3.086 -13.271 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.483 2.553 -10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.747 4.248 -10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.493 2.597 -11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.332 3.574 -10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.635 5.894 -11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.913 6.713 -12.399 1.00 0.00 H new ATOM 688 N GLY A 49 7.187 3.833 -11.398 1.00 0.00 N ATOM 689 CA GLY A 49 8.405 4.622 -11.378 1.00 0.00 C ATOM 690 C GLY A 49 9.632 3.771 -11.633 1.00 0.00 C ATOM 691 O GLY A 49 10.405 4.042 -12.550 1.00 0.00 O ATOM 0 H GLY A 49 6.992 3.325 -10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.343 5.405 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.501 5.118 -10.412 1.00 0.00 H new ATOM 695 N ARG A 50 9.800 2.732 -10.821 1.00 0.00 N ATOM 696 CA ARG A 50 10.933 1.822 -10.956 1.00 0.00 C ATOM 697 C ARG A 50 10.877 0.729 -9.893 1.00 0.00 C ATOM 698 O ARG A 50 11.680 0.708 -8.962 1.00 0.00 O ATOM 699 CB ARG A 50 12.256 2.588 -10.853 1.00 0.00 C ATOM 700 CG ARG A 50 12.502 3.210 -9.485 1.00 0.00 C ATOM 701 CD ARG A 50 13.785 2.689 -8.854 1.00 0.00 C ATOM 702 NE ARG A 50 14.876 2.599 -9.824 1.00 0.00 N ATOM 703 CZ ARG A 50 15.677 1.540 -9.954 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.546 0.490 -9.152 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.622 1.539 -10.883 1.00 0.00 N ATOM 0 H ARG A 50 9.163 2.498 -10.059 1.00 0.00 H new ATOM 0 HA ARG A 50 10.875 1.355 -11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.077 1.910 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.269 3.375 -11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.558 4.294 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.659 2.992 -8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.080 3.347 -8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.603 1.705 -8.421 1.00 0.00 H new ATOM 0 HE ARG A 50 15.034 3.396 -10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.828 0.488 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.164 -0.314 -9.260 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.735 2.346 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.236 0.731 -10.985 1.00 0.00 H new ATOM 719 N MET A 51 9.919 -0.180 -10.041 1.00 0.00 N ATOM 720 CA MET A 51 9.755 -1.277 -9.092 1.00 0.00 C ATOM 721 C MET A 51 11.087 -1.967 -8.819 1.00 0.00 C ATOM 722 O MET A 51 11.640 -2.642 -9.688 1.00 0.00 O ATOM 723 CB MET A 51 8.742 -2.293 -9.623 1.00 0.00 C ATOM 724 CG MET A 51 7.969 -3.004 -8.524 1.00 0.00 C ATOM 725 SD MET A 51 6.354 -2.262 -8.219 1.00 0.00 S ATOM 726 CE MET A 51 6.820 -0.579 -7.822 1.00 0.00 C ATOM 0 H MET A 51 9.245 -0.180 -10.807 1.00 0.00 H new ATOM 0 HA MET A 51 9.385 -0.859 -8.156 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.038 -1.784 -10.281 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.265 -3.034 -10.228 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.838 -4.051 -8.797 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.553 -2.985 -7.604 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.925 0.006 -7.609 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.471 -0.578 -6.948 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.348 -0.139 -8.668 1.00 0.00 H new ATOM 736 N ILE A 52 11.593 -1.798 -7.604 1.00 0.00 N ATOM 737 CA ILE A 52 12.858 -2.411 -7.216 1.00 0.00 C ATOM 738 C ILE A 52 12.719 -3.926 -7.123 1.00 0.00 C ATOM 739 O ILE A 52 11.621 -4.443 -6.925 1.00 0.00 O ATOM 740 CB ILE A 52 13.392 -1.869 -5.867 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.248 -1.463 -4.931 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.325 -0.693 -6.104 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.707 -1.133 -3.528 1.00 0.00 C ATOM 0 H ILE A 52 11.149 -1.244 -6.872 1.00 0.00 H new ATOM 0 HA ILE A 52 13.575 -2.150 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 52 13.948 -2.671 -5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.735 -0.597 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.520 -2.273 -4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.693 -0.322 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.167 -1.014 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.785 0.102 -6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.847 -0.854 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.194 -2.004 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.412 -0.302 -3.562 1.00 0.00 H new ATOM 755 N PRO A 53 13.837 -4.661 -7.253 1.00 0.00 N ATOM 756 CA PRO A 53 13.833 -6.123 -7.174 1.00 0.00 C ATOM 757 C PRO A 53 13.152 -6.629 -5.906 1.00 0.00 C ATOM 758 O PRO A 53 12.733 -7.783 -5.833 1.00 0.00 O ATOM 759 CB PRO A 53 15.324 -6.499 -7.165 1.00 0.00 C ATOM 760 CG PRO A 53 16.059 -5.222 -6.924 1.00 0.00 C ATOM 761 CD PRO A 53 15.187 -4.133 -7.477 1.00 0.00 C ATOM 0 HA PRO A 53 13.278 -6.568 -8.000 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.539 -7.229 -6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.620 -6.949 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.243 -5.072 -5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.031 -5.232 -7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.343 -3.186 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.382 -3.955 -8.534 1.00 0.00 H new ATOM 769 N GLY A 54 13.057 -5.758 -4.906 1.00 0.00 N ATOM 770 CA GLY A 54 12.441 -6.124 -3.646 1.00 0.00 C ATOM 771 C GLY A 54 10.933 -6.268 -3.730 1.00 0.00 C ATOM 772 O GLY A 54 10.391 -7.335 -3.443 1.00 0.00 O ATOM 0 H GLY A 54 13.399 -4.798 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.869 -7.065 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.685 -5.369 -2.898 1.00 0.00 H new ATOM 776 N PHE A 55 10.249 -5.191 -4.105 1.00 0.00 N ATOM 777 CA PHE A 55 8.803 -5.212 -4.200 1.00 0.00 C ATOM 778 C PHE A 55 8.345 -6.080 -5.367 1.00 0.00 C ATOM 779 O PHE A 55 7.468 -6.930 -5.210 1.00 0.00 O ATOM 780 CB PHE A 55 8.254 -3.792 -4.369 1.00 0.00 C ATOM 781 CG PHE A 55 8.225 -2.956 -3.110 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.430 -3.311 -2.026 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.985 -1.799 -3.020 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.395 -2.532 -0.888 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.954 -1.019 -1.880 1.00 0.00 C ATOM 786 CZ PHE A 55 8.158 -1.384 -0.813 1.00 0.00 C ATOM 0 H PHE A 55 10.677 -4.297 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 55 8.416 -5.637 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.856 -3.274 -5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.241 -3.857 -4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.832 -4.209 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.609 -1.504 -3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.770 -2.820 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.553 -0.122 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.132 -0.774 0.078 1.00 0.00 H new ATOM 796 N GLU A 56 8.937 -5.861 -6.537 1.00 0.00 N ATOM 797 CA GLU A 56 8.578 -6.629 -7.724 1.00 0.00 C ATOM 798 C GLU A 56 8.645 -8.131 -7.451 1.00 0.00 C ATOM 799 O GLU A 56 8.032 -8.922 -8.163 1.00 0.00 O ATOM 800 CB GLU A 56 9.487 -6.257 -8.905 1.00 0.00 C ATOM 801 CG GLU A 56 10.890 -6.842 -8.824 1.00 0.00 C ATOM 802 CD GLU A 56 11.639 -6.736 -10.139 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.893 -5.599 -10.589 1.00 0.00 O ATOM 804 OE2 GLU A 56 11.971 -7.791 -10.720 1.00 0.00 O ATOM 0 H GLU A 56 9.664 -5.162 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 56 7.550 -6.379 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.018 -6.594 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.562 -5.171 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.452 -6.324 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.827 -7.889 -8.528 1.00 0.00 H new ATOM 811 N ASP A 57 9.390 -8.515 -6.415 1.00 0.00 N ATOM 812 CA ASP A 57 9.528 -9.920 -6.052 1.00 0.00 C ATOM 813 C ASP A 57 8.310 -10.407 -5.271 1.00 0.00 C ATOM 814 O ASP A 57 7.448 -11.098 -5.816 1.00 0.00 O ATOM 815 CB ASP A 57 10.795 -10.137 -5.222 1.00 0.00 C ATOM 816 CG ASP A 57 11.806 -11.019 -5.927 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.578 -12.247 -5.995 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.826 -10.485 -6.411 1.00 0.00 O ATOM 0 H ASP A 57 9.906 -7.872 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 57 9.602 -10.496 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.251 -9.172 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.527 -10.589 -4.267 1.00 0.00 H new ATOM 823 N GLY A 58 8.252 -10.061 -3.988 1.00 0.00 N ATOM 824 CA GLY A 58 7.147 -10.492 -3.154 1.00 0.00 C ATOM 825 C GLY A 58 5.827 -9.955 -3.645 1.00 0.00 C ATOM 826 O GLY A 58 4.877 -10.707 -3.862 1.00 0.00 O ATOM 0 H GLY A 58 8.951 -9.490 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.111 -11.581 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.315 -10.160 -2.129 1.00 0.00 H new ATOM 830 N ILE A 59 5.773 -8.646 -3.818 1.00 0.00 N ATOM 831 CA ILE A 59 4.587 -7.964 -4.281 1.00 0.00 C ATOM 832 C ILE A 59 4.495 -8.007 -5.794 1.00 0.00 C ATOM 833 O ILE A 59 4.055 -7.057 -6.444 1.00 0.00 O ATOM 834 CB ILE A 59 4.599 -6.515 -3.780 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.040 -6.478 -2.315 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.226 -5.889 -3.944 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.540 -6.532 -2.123 1.00 0.00 C ATOM 0 H ILE A 59 6.561 -8.024 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 59 3.709 -8.472 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 59 5.308 -5.938 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.657 -5.567 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.586 -7.317 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.250 -4.860 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.945 -5.899 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.496 -6.458 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.772 -6.501 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.929 -7.455 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.001 -5.678 -2.619 1.00 0.00 H new ATOM 849 N LYS A 60 4.852 -9.165 -6.319 1.00 0.00 N ATOM 850 CA LYS A 60 4.745 -9.406 -7.744 1.00 0.00 C ATOM 851 C LYS A 60 3.323 -9.016 -8.138 1.00 0.00 C ATOM 852 O LYS A 60 3.093 -8.255 -9.078 1.00 0.00 O ATOM 853 CB LYS A 60 5.014 -10.878 -8.068 1.00 0.00 C ATOM 854 CG LYS A 60 6.382 -11.125 -8.678 1.00 0.00 C ATOM 855 CD LYS A 60 6.585 -12.592 -9.021 1.00 0.00 C ATOM 856 CE LYS A 60 6.963 -12.777 -10.481 1.00 0.00 C ATOM 857 NZ LYS A 60 7.774 -14.008 -10.689 1.00 0.00 N ATOM 0 H LYS A 60 5.217 -9.951 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 60 5.481 -8.824 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.921 -11.465 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.248 -11.236 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.494 -10.521 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.155 -10.803 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.366 -13.010 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.671 -13.146 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.059 -12.831 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.525 -11.909 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.013 -14.100 -11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.649 -13.946 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.228 -14.839 -10.385 1.00 0.00 H new ATOM 871 N GLY A 61 2.386 -9.601 -7.401 1.00 0.00 N ATOM 872 CA GLY A 61 0.974 -9.398 -7.632 1.00 0.00 C ATOM 873 C GLY A 61 0.359 -10.660 -8.175 1.00 0.00 C ATOM 874 O GLY A 61 -0.384 -10.650 -9.155 1.00 0.00 O ATOM 0 H GLY A 61 2.592 -10.230 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.481 -9.113 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.825 -8.579 -8.335 1.00 0.00 H new ATOM 878 N HIS A 62 0.712 -11.767 -7.531 1.00 0.00 N ATOM 879 CA HIS A 62 0.231 -13.083 -7.953 1.00 0.00 C ATOM 880 C HIS A 62 -0.476 -13.852 -6.836 1.00 0.00 C ATOM 881 O HIS A 62 -1.224 -14.793 -7.108 1.00 0.00 O ATOM 882 CB HIS A 62 1.395 -13.914 -8.502 1.00 0.00 C ATOM 883 CG HIS A 62 2.475 -14.216 -7.502 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.392 -15.233 -7.680 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.799 -13.631 -6.320 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.227 -15.261 -6.658 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.890 -14.298 -5.820 1.00 0.00 N ATOM 0 H HIS A 62 1.327 -11.783 -6.717 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.510 -12.910 -8.734 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.002 -14.855 -8.888 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.837 -13.383 -9.345 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.292 -12.796 -5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.046 -15.953 -6.529 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.364 -14.084 -4.942 1.00 0.00 H new ATOM 895 N LYS A 63 -0.242 -13.472 -5.586 1.00 0.00 N ATOM 896 CA LYS A 63 -0.870 -14.162 -4.461 1.00 0.00 C ATOM 897 C LYS A 63 -1.773 -13.228 -3.662 1.00 0.00 C ATOM 898 O LYS A 63 -1.363 -12.678 -2.639 1.00 0.00 O ATOM 899 CB LYS A 63 0.196 -14.764 -3.547 1.00 0.00 C ATOM 900 CG LYS A 63 1.069 -15.807 -4.222 1.00 0.00 C ATOM 901 CD LYS A 63 0.299 -17.093 -4.478 1.00 0.00 C ATOM 902 CE LYS A 63 1.154 -18.322 -4.207 1.00 0.00 C ATOM 903 NZ LYS A 63 1.476 -19.064 -5.458 1.00 0.00 N ATOM 0 H LYS A 63 0.370 -12.699 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.489 -14.961 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.831 -13.963 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.293 -15.217 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.446 -15.413 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.936 -16.019 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.588 -17.119 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.047 -17.111 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.079 -18.019 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.630 -18.984 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.060 -19.894 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.594 -19.376 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.999 -18.441 -6.106 1.00 0.00 H new ATOM 917 N ALA A 64 -3.013 -13.077 -4.117 1.00 0.00 N ATOM 918 CA ALA A 64 -3.984 -12.240 -3.429 1.00 0.00 C ATOM 919 C ALA A 64 -4.223 -12.732 -2.002 1.00 0.00 C ATOM 920 O ALA A 64 -4.978 -13.679 -1.782 1.00 0.00 O ATOM 921 CB ALA A 64 -5.292 -12.207 -4.207 1.00 0.00 C ATOM 0 H ALA A 64 -3.368 -13.526 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.582 -11.229 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.011 -11.578 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.113 -11.801 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.690 -13.218 -4.293 1.00 0.00 H new ATOM 927 N GLY A 65 -3.579 -12.084 -1.034 1.00 0.00 N ATOM 928 CA GLY A 65 -3.741 -12.472 0.358 1.00 0.00 C ATOM 929 C GLY A 65 -2.593 -13.326 0.862 1.00 0.00 C ATOM 930 O GLY A 65 -2.795 -14.247 1.654 1.00 0.00 O ATOM 0 H GLY A 65 -2.948 -11.298 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.821 -11.576 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.675 -13.022 0.472 1.00 0.00 H new ATOM 934 N GLU A 66 -1.388 -13.025 0.390 1.00 0.00 N ATOM 935 CA GLU A 66 -0.193 -13.770 0.782 1.00 0.00 C ATOM 936 C GLU A 66 0.579 -13.057 1.882 1.00 0.00 C ATOM 937 O GLU A 66 0.371 -11.872 2.126 1.00 0.00 O ATOM 938 CB GLU A 66 0.714 -13.957 -0.428 1.00 0.00 C ATOM 939 CG GLU A 66 1.679 -15.126 -0.300 1.00 0.00 C ATOM 940 CD GLU A 66 0.974 -16.433 0.005 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.147 -16.869 -0.822 1.00 0.00 O ATOM 942 OE2 GLU A 66 1.249 -17.021 1.073 1.00 0.00 O ATOM 0 H GLU A 66 -1.211 -12.266 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.516 -14.738 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.096 -14.104 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.285 -13.042 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.243 -15.230 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.399 -14.913 0.490 1.00 0.00 H new ATOM 949 N GLU A 67 1.490 -13.786 2.521 1.00 0.00 N ATOM 950 CA GLU A 67 2.329 -13.235 3.580 1.00 0.00 C ATOM 951 C GLU A 67 3.790 -13.594 3.315 1.00 0.00 C ATOM 952 O GLU A 67 4.192 -14.746 3.475 1.00 0.00 O ATOM 953 CB GLU A 67 1.890 -13.769 4.946 1.00 0.00 C ATOM 954 CG GLU A 67 1.965 -15.285 5.061 1.00 0.00 C ATOM 955 CD GLU A 67 3.045 -15.745 6.020 1.00 0.00 C ATOM 956 OE1 GLU A 67 2.960 -15.405 7.220 1.00 0.00 O ATOM 957 OE2 GLU A 67 3.978 -16.442 5.572 1.00 0.00 O ATOM 0 H GLU A 67 1.667 -14.770 2.320 1.00 0.00 H new ATOM 0 HA GLU A 67 2.222 -12.150 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.516 -13.323 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.866 -13.449 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.001 -15.668 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.154 -15.711 4.076 1.00 0.00 H new ATOM 964 N PHE A 68 4.572 -12.612 2.875 1.00 0.00 N ATOM 965 CA PHE A 68 5.976 -12.845 2.545 1.00 0.00 C ATOM 966 C PHE A 68 6.862 -11.705 3.034 1.00 0.00 C ATOM 967 O PHE A 68 6.376 -10.638 3.399 1.00 0.00 O ATOM 968 CB PHE A 68 6.126 -12.993 1.039 1.00 0.00 C ATOM 969 CG PHE A 68 5.492 -11.859 0.306 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.171 -10.669 0.137 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.205 -11.974 -0.189 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.579 -9.607 -0.522 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.607 -10.919 -0.843 1.00 0.00 C ATOM 974 CZ PHE A 68 4.293 -9.735 -1.013 1.00 0.00 C ATOM 0 H PHE A 68 4.259 -11.651 2.739 1.00 0.00 H new ATOM 0 HA PHE A 68 6.293 -13.760 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.184 -13.046 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.673 -13.931 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.174 -10.566 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.664 -12.900 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.119 -8.681 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.601 -11.019 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.826 -8.909 -1.529 1.00 0.00 H new ATOM 984 N THR A 69 8.168 -11.934 3.030 1.00 0.00 N ATOM 985 CA THR A 69 9.122 -10.921 3.465 1.00 0.00 C ATOM 986 C THR A 69 10.190 -10.696 2.404 1.00 0.00 C ATOM 987 O THR A 69 10.832 -11.643 1.949 1.00 0.00 O ATOM 988 CB THR A 69 9.773 -11.337 4.785 1.00 0.00 C ATOM 989 OG1 THR A 69 8.787 -11.607 5.766 1.00 0.00 O ATOM 990 CG2 THR A 69 10.710 -10.292 5.350 1.00 0.00 C ATOM 0 H THR A 69 8.592 -12.812 2.730 1.00 0.00 H new ATOM 0 HA THR A 69 8.582 -9.986 3.616 1.00 0.00 H new ATOM 0 HB THR A 69 10.353 -12.229 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.222 -11.873 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.136 -10.653 6.286 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.512 -10.099 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.158 -9.370 5.534 1.00 0.00 H new ATOM 998 N ILE A 70 10.386 -9.440 2.008 1.00 0.00 N ATOM 999 CA ILE A 70 11.387 -9.122 1.003 1.00 0.00 C ATOM 1000 C ILE A 70 12.213 -7.925 1.428 1.00 0.00 C ATOM 1001 O ILE A 70 11.832 -7.185 2.335 1.00 0.00 O ATOM 1002 CB ILE A 70 10.748 -8.847 -0.379 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.952 -7.536 -0.363 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.858 -10.011 -0.792 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.740 -7.573 0.541 1.00 0.00 C ATOM 0 H ILE A 70 9.869 -8.637 2.366 1.00 0.00 H new ATOM 0 HA ILE A 70 12.035 -9.994 0.911 1.00 0.00 H new ATOM 0 HB ILE A 70 11.548 -8.745 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.608 -6.726 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.630 -7.304 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.416 -9.803 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.454 -10.922 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.066 -10.143 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.227 -6.612 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.063 -8.360 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.056 -7.774 1.565 1.00 0.00 H new ATOM 1017 N ASP A 71 13.326 -7.714 0.747 1.00 0.00 N ATOM 1018 CA ASP A 71 14.183 -6.580 1.032 1.00 0.00 C ATOM 1019 C ASP A 71 13.820 -5.440 0.098 1.00 0.00 C ATOM 1020 O ASP A 71 13.411 -5.679 -1.035 1.00 0.00 O ATOM 1021 CB ASP A 71 15.654 -6.960 0.858 1.00 0.00 C ATOM 1022 CG ASP A 71 15.941 -7.547 -0.510 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.744 -6.833 -1.515 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.362 -8.721 -0.577 1.00 0.00 O ATOM 0 H ASP A 71 13.656 -8.315 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 71 14.036 -6.268 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.275 -6.077 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.933 -7.681 1.626 1.00 0.00 H new ATOM 1029 N VAL A 72 13.982 -4.209 0.551 1.00 0.00 N ATOM 1030 CA VAL A 72 13.676 -3.058 -0.292 1.00 0.00 C ATOM 1031 C VAL A 72 14.639 -1.911 -0.020 1.00 0.00 C ATOM 1032 O VAL A 72 14.902 -1.569 1.131 1.00 0.00 O ATOM 1033 CB VAL A 72 12.230 -2.553 -0.095 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.263 -3.315 -0.991 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.805 -2.653 1.364 1.00 0.00 C ATOM 0 H VAL A 72 14.319 -3.978 1.486 1.00 0.00 H new ATOM 0 HA VAL A 72 13.786 -3.398 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 72 12.204 -1.501 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.251 -2.942 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.545 -3.173 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.300 -4.377 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.783 -2.290 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.857 -3.693 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.471 -2.048 1.979 1.00 0.00 H new ATOM 1045 N THR A 73 15.154 -1.305 -1.084 1.00 0.00 N ATOM 1046 CA THR A 73 16.076 -0.185 -0.965 1.00 0.00 C ATOM 1047 C THR A 73 15.904 0.722 -2.178 1.00 0.00 C ATOM 1048 O THR A 73 15.993 0.265 -3.317 1.00 0.00 O ATOM 1049 CB THR A 73 17.523 -0.683 -0.868 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.758 -1.297 0.387 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.556 0.411 -1.039 1.00 0.00 C ATOM 0 H THR A 73 14.945 -1.575 -2.045 1.00 0.00 H new ATOM 0 HA THR A 73 15.855 0.373 -0.055 1.00 0.00 H new ATOM 0 HB THR A 73 17.634 -1.392 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.917 -1.351 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.555 -0.016 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.437 0.874 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.420 1.164 -0.263 1.00 0.00 H new ATOM 1059 N PHE A 74 15.632 1.996 -1.937 1.00 0.00 N ATOM 1060 CA PHE A 74 15.422 2.941 -3.025 1.00 0.00 C ATOM 1061 C PHE A 74 16.735 3.524 -3.547 1.00 0.00 C ATOM 1062 O PHE A 74 17.555 4.019 -2.774 1.00 0.00 O ATOM 1063 CB PHE A 74 14.480 4.044 -2.568 1.00 0.00 C ATOM 1064 CG PHE A 74 13.071 3.557 -2.427 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.766 2.511 -1.570 1.00 0.00 C ATOM 1066 CD2 PHE A 74 12.058 4.126 -3.168 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.469 2.044 -1.459 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.756 3.671 -3.060 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.462 2.626 -2.204 1.00 0.00 C ATOM 0 H PHE A 74 15.552 2.398 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 74 14.970 2.401 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.823 4.441 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.510 4.865 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.550 2.056 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.284 4.939 -3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.244 1.226 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.972 4.131 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.448 2.266 -2.118 1.00 0.00 H new ATOM 1079 N PRO A 75 16.951 3.468 -4.877 1.00 0.00 N ATOM 1080 CA PRO A 75 18.173 3.985 -5.506 1.00 0.00 C ATOM 1081 C PRO A 75 18.279 5.506 -5.449 1.00 0.00 C ATOM 1082 O PRO A 75 17.450 6.180 -4.837 1.00 0.00 O ATOM 1083 CB PRO A 75 18.053 3.526 -6.959 1.00 0.00 C ATOM 1084 CG PRO A 75 16.594 3.334 -7.181 1.00 0.00 C ATOM 1085 CD PRO A 75 16.027 2.884 -5.868 1.00 0.00 C ATOM 0 HA PRO A 75 19.063 3.621 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.462 4.269 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.603 2.600 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.125 4.261 -7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.413 2.592 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.007 3.243 -5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.995 1.797 -5.796 1.00 0.00 H new ATOM 1093 N GLU A 76 19.316 6.034 -6.095 1.00 0.00 N ATOM 1094 CA GLU A 76 19.559 7.471 -6.130 1.00 0.00 C ATOM 1095 C GLU A 76 18.632 8.189 -7.114 1.00 0.00 C ATOM 1096 O GLU A 76 18.595 9.421 -7.148 1.00 0.00 O ATOM 1097 CB GLU A 76 21.020 7.748 -6.494 1.00 0.00 C ATOM 1098 CG GLU A 76 21.997 7.418 -5.377 1.00 0.00 C ATOM 1099 CD GLU A 76 23.029 8.509 -5.161 1.00 0.00 C ATOM 1100 OE1 GLU A 76 24.030 8.535 -5.908 1.00 0.00 O ATOM 1101 OE2 GLU A 76 22.836 9.336 -4.246 1.00 0.00 O ATOM 0 H GLU A 76 20.006 5.482 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 76 19.347 7.861 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.282 7.167 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.127 8.800 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.444 7.258 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.506 6.483 -5.610 1.00 0.00 H new ATOM 1108 N GLU A 77 17.889 7.429 -7.915 1.00 0.00 N ATOM 1109 CA GLU A 77 16.978 8.023 -8.892 1.00 0.00 C ATOM 1110 C GLU A 77 15.626 8.331 -8.257 1.00 0.00 C ATOM 1111 O GLU A 77 14.991 9.333 -8.585 1.00 0.00 O ATOM 1112 CB GLU A 77 16.794 7.087 -10.090 1.00 0.00 C ATOM 1113 CG GLU A 77 16.082 5.789 -9.745 1.00 0.00 C ATOM 1114 CD GLU A 77 14.581 5.877 -9.944 1.00 0.00 C ATOM 1115 OE1 GLU A 77 14.134 5.858 -11.110 1.00 0.00 O ATOM 1116 OE2 GLU A 77 13.853 5.962 -8.932 1.00 0.00 O ATOM 0 H GLU A 77 17.899 6.409 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 77 17.418 8.958 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.229 7.607 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.772 6.854 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.480 4.985 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.293 5.528 -8.708 1.00 0.00 H new ATOM 1123 N TYR A 78 15.197 7.471 -7.342 1.00 0.00 N ATOM 1124 CA TYR A 78 13.926 7.658 -6.655 1.00 0.00 C ATOM 1125 C TYR A 78 13.969 8.907 -5.782 1.00 0.00 C ATOM 1126 O TYR A 78 13.352 9.923 -6.103 1.00 0.00 O ATOM 1127 CB TYR A 78 13.603 6.433 -5.800 1.00 0.00 C ATOM 1128 CG TYR A 78 12.143 6.060 -5.794 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.231 6.762 -5.016 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.675 4.999 -6.556 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.895 6.418 -4.999 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.341 4.647 -6.547 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.453 5.360 -5.767 1.00 0.00 C ATOM 1134 OH TYR A 78 8.123 5.012 -5.754 1.00 0.00 O ATOM 0 H TYR A 78 15.711 6.637 -7.059 1.00 0.00 H new ATOM 0 HA TYR A 78 13.144 7.783 -7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.183 5.585 -6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.924 6.622 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.574 7.591 -4.414 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.367 4.439 -7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.199 6.974 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.994 3.819 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 78 7.979 4.247 -6.350 1.00 0.00 H new ATOM 1144 N HIS A 79 14.714 8.818 -4.682 1.00 0.00 N ATOM 1145 CA HIS A 79 14.870 9.926 -3.744 1.00 0.00 C ATOM 1146 C HIS A 79 13.585 10.739 -3.584 1.00 0.00 C ATOM 1147 O HIS A 79 13.587 11.963 -3.732 1.00 0.00 O ATOM 1148 CB HIS A 79 16.023 10.824 -4.184 1.00 0.00 C ATOM 1149 CG HIS A 79 17.359 10.250 -3.832 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.516 10.996 -3.791 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.715 8.986 -3.490 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.527 10.223 -3.437 1.00 0.00 C ATOM 1153 NE2 HIS A 79 19.068 9.000 -3.247 1.00 0.00 N ATOM 0 H HIS A 79 15.226 7.976 -4.417 1.00 0.00 H new ATOM 0 HA HIS A 79 15.097 9.499 -2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.969 10.978 -5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.916 11.803 -3.716 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.059 8.131 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.554 10.538 -3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.627 8.195 -2.965 1.00 0.00 H new ATOM 1161 N ALA A 80 12.491 10.049 -3.270 1.00 0.00 N ATOM 1162 CA ALA A 80 11.201 10.702 -3.075 1.00 0.00 C ATOM 1163 C ALA A 80 11.172 11.457 -1.748 1.00 0.00 C ATOM 1164 O ALA A 80 11.770 11.025 -0.767 1.00 0.00 O ATOM 1165 CB ALA A 80 10.081 9.676 -3.126 1.00 0.00 C ATOM 0 H ALA A 80 12.473 9.037 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 80 11.054 11.422 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.123 10.175 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.086 9.179 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.229 8.936 -2.339 1.00 0.00 H new ATOM 1171 N GLU A 81 10.478 12.585 -1.720 1.00 0.00 N ATOM 1172 CA GLU A 81 10.387 13.393 -0.507 1.00 0.00 C ATOM 1173 C GLU A 81 9.822 12.600 0.674 1.00 0.00 C ATOM 1174 O GLU A 81 9.904 13.043 1.819 1.00 0.00 O ATOM 1175 CB GLU A 81 9.527 14.633 -0.760 1.00 0.00 C ATOM 1176 CG GLU A 81 10.026 15.873 -0.036 1.00 0.00 C ATOM 1177 CD GLU A 81 9.073 16.344 1.047 1.00 0.00 C ATOM 1178 OE1 GLU A 81 8.000 16.879 0.700 1.00 0.00 O ATOM 1179 OE2 GLU A 81 9.402 16.179 2.241 1.00 0.00 O ATOM 0 H GLU A 81 9.970 12.963 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 81 11.400 13.697 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.499 14.834 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.504 14.426 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.999 15.662 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.173 16.676 -0.759 1.00 0.00 H new ATOM 1186 N ASN A 82 9.237 11.437 0.400 1.00 0.00 N ATOM 1187 CA ASN A 82 8.652 10.615 1.455 1.00 0.00 C ATOM 1188 C ASN A 82 9.679 9.665 2.082 1.00 0.00 C ATOM 1189 O ASN A 82 9.836 9.633 3.304 1.00 0.00 O ATOM 1190 CB ASN A 82 7.466 9.819 0.897 1.00 0.00 C ATOM 1191 CG ASN A 82 6.977 8.739 1.845 1.00 0.00 C ATOM 1192 OD1 ASN A 82 5.936 8.879 2.486 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.735 7.652 1.934 1.00 0.00 N ATOM 0 H ASN A 82 9.156 11.044 -0.538 1.00 0.00 H new ATOM 0 HA ASN A 82 8.306 11.284 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.646 10.504 0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.756 9.361 -0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.462 6.889 2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.590 7.580 1.383 1.00 0.00 H new ATOM 1200 N LEU A 83 10.351 8.877 1.250 1.00 0.00 N ATOM 1201 CA LEU A 83 11.333 7.907 1.741 1.00 0.00 C ATOM 1202 C LEU A 83 12.640 7.955 0.952 1.00 0.00 C ATOM 1203 O LEU A 83 13.457 7.047 1.039 1.00 0.00 O ATOM 1204 CB LEU A 83 10.748 6.486 1.692 1.00 0.00 C ATOM 1205 CG LEU A 83 10.534 5.873 0.293 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.198 6.925 -0.757 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.758 5.083 -0.132 1.00 0.00 C ATOM 0 H LEU A 83 10.237 8.888 0.236 1.00 0.00 H new ATOM 0 HA LEU A 83 11.561 8.176 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.408 5.827 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.789 6.495 2.210 1.00 0.00 H new ATOM 0 HG LEU A 83 9.678 5.203 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.057 6.442 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.282 7.443 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.014 7.644 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.591 4.657 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.625 5.743 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.939 4.280 0.583 1.00 0.00 H new ATOM 1219 N LYS A 84 12.825 9.019 0.186 1.00 0.00 N ATOM 1220 CA LYS A 84 14.032 9.205 -0.635 1.00 0.00 C ATOM 1221 C LYS A 84 15.206 8.325 -0.183 1.00 0.00 C ATOM 1222 O LYS A 84 15.672 8.428 0.951 1.00 0.00 O ATOM 1223 CB LYS A 84 14.472 10.669 -0.611 1.00 0.00 C ATOM 1224 CG LYS A 84 14.526 11.264 0.786 1.00 0.00 C ATOM 1225 CD LYS A 84 15.647 12.281 0.910 1.00 0.00 C ATOM 1226 CE LYS A 84 15.338 13.540 0.120 1.00 0.00 C ATOM 1227 NZ LYS A 84 14.096 14.203 0.602 1.00 0.00 N ATOM 0 H LYS A 84 12.151 9.781 0.109 1.00 0.00 H new ATOM 0 HA LYS A 84 13.761 8.904 -1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.457 10.751 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.786 11.256 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.573 11.740 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.671 10.469 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.796 12.535 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.579 11.844 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.175 14.234 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.231 13.290 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.369 14.160 -0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.750 13.716 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.299 15.197 0.831 1.00 0.00 H new ATOM 1241 N GLY A 85 15.682 7.472 -1.091 1.00 0.00 N ATOM 1242 CA GLY A 85 16.804 6.591 -0.790 1.00 0.00 C ATOM 1243 C GLY A 85 16.687 5.898 0.555 1.00 0.00 C ATOM 1244 O GLY A 85 17.579 6.004 1.396 1.00 0.00 O ATOM 0 H GLY A 85 15.308 7.375 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.883 5.836 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.727 7.171 -0.812 1.00 0.00 H new ATOM 1248 N LYS A 86 15.586 5.185 0.759 1.00 0.00 N ATOM 1249 CA LYS A 86 15.362 4.470 2.010 1.00 0.00 C ATOM 1250 C LYS A 86 15.720 2.988 1.880 1.00 0.00 C ATOM 1251 O LYS A 86 14.876 2.171 1.511 1.00 0.00 O ATOM 1252 CB LYS A 86 13.905 4.621 2.450 1.00 0.00 C ATOM 1253 CG LYS A 86 13.670 4.369 3.928 1.00 0.00 C ATOM 1254 CD LYS A 86 13.428 2.899 4.209 1.00 0.00 C ATOM 1255 CE LYS A 86 12.256 2.347 3.405 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.681 1.271 2.467 1.00 0.00 N ATOM 0 H LYS A 86 14.835 5.086 0.076 1.00 0.00 H new ATOM 0 HA LYS A 86 16.014 4.908 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.567 5.628 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.290 3.930 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.533 4.712 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.813 4.951 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.328 2.332 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.235 2.761 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.501 1.956 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.790 3.156 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.367 1.506 1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.717 1.187 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.256 0.368 2.759 1.00 0.00 H new ATOM 1270 N ALA A 87 16.965 2.643 2.201 1.00 0.00 N ATOM 1271 CA ALA A 87 17.409 1.252 2.141 1.00 0.00 C ATOM 1272 C ALA A 87 16.904 0.511 3.370 1.00 0.00 C ATOM 1273 O ALA A 87 17.395 0.730 4.475 1.00 0.00 O ATOM 1274 CB ALA A 87 18.928 1.177 2.056 1.00 0.00 C ATOM 0 H ALA A 87 17.681 3.303 2.504 1.00 0.00 H new ATOM 0 HA ALA A 87 17.001 0.783 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.239 0.133 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.268 1.695 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.365 1.649 2.936 1.00 0.00 H new ATOM 1280 N ALA A 88 15.892 -0.333 3.190 1.00 0.00 N ATOM 1281 CA ALA A 88 15.312 -1.043 4.325 1.00 0.00 C ATOM 1282 C ALA A 88 14.955 -2.499 4.037 1.00 0.00 C ATOM 1283 O ALA A 88 15.247 -3.047 2.975 1.00 0.00 O ATOM 1284 CB ALA A 88 14.065 -0.301 4.786 1.00 0.00 C ATOM 0 H ALA A 88 15.464 -0.539 2.288 1.00 0.00 H new ATOM 0 HA ALA A 88 16.078 -1.067 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.623 -0.824 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.334 0.712 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.344 -0.260 3.970 1.00 0.00 H new ATOM 1290 N LYS A 89 14.281 -3.084 5.019 1.00 0.00 N ATOM 1291 CA LYS A 89 13.798 -4.454 4.963 1.00 0.00 C ATOM 1292 C LYS A 89 12.326 -4.431 5.333 1.00 0.00 C ATOM 1293 O LYS A 89 11.949 -3.746 6.281 1.00 0.00 O ATOM 1294 CB LYS A 89 14.568 -5.345 5.940 1.00 0.00 C ATOM 1295 CG LYS A 89 15.883 -5.869 5.388 1.00 0.00 C ATOM 1296 CD LYS A 89 16.915 -6.048 6.492 1.00 0.00 C ATOM 1297 CE LYS A 89 17.961 -4.947 6.460 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.307 -5.448 6.853 1.00 0.00 N ATOM 0 H LYS A 89 14.052 -2.609 5.892 1.00 0.00 H new ATOM 0 HA LYS A 89 13.944 -4.862 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.766 -4.781 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.939 -6.191 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.715 -6.822 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.266 -5.177 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.416 -6.049 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.402 -7.017 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.010 -4.522 5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.662 -4.143 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.992 -4.666 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.267 -5.830 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.604 -6.198 6.196 1.00 0.00 H new ATOM 1312 N PHE A 90 11.499 -5.200 4.639 1.00 0.00 N ATOM 1313 CA PHE A 90 10.070 -5.260 4.968 1.00 0.00 C ATOM 1314 C PHE A 90 9.546 -6.683 4.933 1.00 0.00 C ATOM 1315 O PHE A 90 10.088 -7.540 4.234 1.00 0.00 O ATOM 1316 CB PHE A 90 9.204 -4.477 3.972 1.00 0.00 C ATOM 1317 CG PHE A 90 9.525 -3.025 3.784 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.313 -2.329 4.676 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.998 -2.360 2.698 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.581 -0.986 4.486 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.255 -1.016 2.499 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.049 -0.329 3.393 1.00 0.00 C ATOM 0 H PHE A 90 11.781 -5.786 3.854 1.00 0.00 H new ATOM 0 HA PHE A 90 9.999 -4.829 5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.276 -4.968 3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.165 -4.555 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.726 -2.839 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.377 -2.895 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.204 -0.453 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.835 -0.505 1.645 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.255 0.720 3.239 1.00 0.00 H new ATOM 1332 N ALA A 91 8.443 -6.909 5.630 1.00 0.00 N ATOM 1333 CA ALA A 91 7.773 -8.192 5.630 1.00 0.00 C ATOM 1334 C ALA A 91 6.350 -7.880 5.207 1.00 0.00 C ATOM 1335 O ALA A 91 5.580 -7.276 5.953 1.00 0.00 O ATOM 1336 CB ALA A 91 7.823 -8.835 7.008 1.00 0.00 C ATOM 0 H ALA A 91 7.990 -6.204 6.211 1.00 0.00 H new ATOM 0 HA ALA A 91 8.246 -8.909 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.312 -9.798 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.862 -8.984 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.331 -8.185 7.731 1.00 0.00 H new ATOM 1342 N ILE A 92 6.060 -8.186 3.954 1.00 0.00 N ATOM 1343 CA ILE A 92 4.787 -7.825 3.354 1.00 0.00 C ATOM 1344 C ILE A 92 3.762 -8.955 3.266 1.00 0.00 C ATOM 1345 O ILE A 92 4.087 -10.138 3.346 1.00 0.00 O ATOM 1346 CB ILE A 92 5.042 -7.289 1.933 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.154 -6.227 1.965 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.760 -6.758 1.316 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.162 -5.291 0.779 1.00 0.00 C ATOM 0 H ILE A 92 6.693 -8.686 3.330 1.00 0.00 H new ATOM 0 HA ILE A 92 4.353 -7.077 4.017 1.00 0.00 H new ATOM 0 HB ILE A 92 5.381 -8.107 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.050 -5.638 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.119 -6.731 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.966 -6.385 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.023 -7.560 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.369 -5.948 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.978 -4.576 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.300 -5.866 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.214 -4.755 0.732 1.00 0.00 H new ATOM 1361 N ASN A 93 2.514 -8.541 3.057 1.00 0.00 N ATOM 1362 CA ASN A 93 1.389 -9.449 2.899 1.00 0.00 C ATOM 1363 C ASN A 93 0.529 -8.974 1.723 1.00 0.00 C ATOM 1364 O ASN A 93 -0.195 -7.986 1.840 1.00 0.00 O ATOM 1365 CB ASN A 93 0.562 -9.479 4.187 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.423 -10.629 4.236 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.238 -11.588 4.983 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.482 -10.535 3.439 1.00 0.00 N ATOM 0 H ASN A 93 2.257 -7.556 2.993 1.00 0.00 H new ATOM 0 HA ASN A 93 1.750 -10.457 2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.235 -9.548 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.019 -8.539 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.182 -11.277 3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.595 -9.721 2.835 1.00 0.00 H new ATOM 1375 N LEU A 94 0.629 -9.660 0.586 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.126 -9.273 -0.609 1.00 0.00 C ATOM 1377 C LEU A 94 -1.623 -9.459 -0.413 1.00 0.00 C ATOM 1378 O LEU A 94 -2.054 -10.301 0.374 1.00 0.00 O ATOM 1379 CB LEU A 94 0.342 -10.076 -1.823 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.110 -9.527 -3.176 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.539 -8.179 -3.448 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.226 -10.513 -4.282 1.00 0.00 C ATOM 0 H LEU A 94 1.221 -10.482 0.465 1.00 0.00 H new ATOM 0 HA LEU A 94 0.063 -8.214 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.431 -10.121 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.020 -11.099 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.191 -9.388 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.206 -7.803 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.254 -7.474 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.623 -8.292 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.101 -10.110 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.303 -10.679 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.283 -11.458 -4.093 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.416 -8.669 -1.144 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.865 -8.754 -1.052 1.00 0.00 C ATOM 1396 C LYS A 95 -4.522 -8.488 -2.414 1.00 0.00 C ATOM 1397 O LYS A 95 -4.440 -9.315 -3.319 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.393 -7.782 0.014 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.899 -8.084 1.421 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.051 -8.184 2.409 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.541 -9.616 2.545 1.00 0.00 C ATOM 1402 NZ LYS A 95 -4.924 -10.308 3.711 1.00 0.00 N ATOM 0 H LYS A 95 -2.074 -7.968 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.129 -9.768 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.097 -6.768 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.483 -7.809 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.339 -9.019 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.211 -7.302 1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.731 -7.813 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.872 -7.547 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.626 -9.619 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.310 -10.166 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.942 -11.336 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.939 -9.992 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.459 -10.080 4.573 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.219 -7.359 -2.541 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.924 -7.043 -3.772 1.00 0.00 C ATOM 1418 C LYS A 96 -4.985 -6.668 -4.909 1.00 0.00 C ATOM 1419 O LYS A 96 -4.491 -5.542 -4.978 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.911 -5.901 -3.529 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.955 -6.218 -2.472 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.096 -5.213 -2.491 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.498 -4.800 -1.084 1.00 0.00 C ATOM 1424 NZ LYS A 96 -9.817 -3.348 -0.997 1.00 0.00 N ATOM 0 H LYS A 96 -5.307 -6.655 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.455 -7.946 -4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.358 -5.011 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.415 -5.661 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.350 -7.220 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.487 -6.220 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.797 -4.332 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.955 -5.646 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.365 -5.381 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.689 -5.035 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.086 -3.110 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.982 -2.792 -1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.606 -3.127 -1.637 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.781 -7.609 -5.823 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.950 -7.394 -6.996 1.00 0.00 C ATOM 1440 C VAL A 97 -4.837 -7.352 -8.242 1.00 0.00 C ATOM 1441 O VAL A 97 -5.493 -8.338 -8.575 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.897 -8.520 -7.145 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.522 -9.887 -6.881 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.242 -8.486 -8.525 1.00 0.00 C ATOM 0 H VAL A 97 -5.188 -8.543 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.423 -6.447 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.120 -8.348 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.763 -10.662 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.923 -9.914 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.327 -10.063 -7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.508 -9.288 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.004 -8.620 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.746 -7.526 -8.669 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.870 -6.208 -8.915 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.699 -6.056 -10.107 1.00 0.00 C ATOM 1456 C GLU A 98 -5.011 -5.173 -11.153 1.00 0.00 C ATOM 1457 O GLU A 98 -3.944 -4.623 -10.896 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.061 -5.477 -9.724 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.819 -6.327 -8.716 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.484 -5.975 -7.280 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.168 -4.795 -7.015 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -7.538 -6.877 -6.420 1.00 0.00 O ATOM 0 H GLU A 98 -4.337 -5.377 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.845 -7.040 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.919 -4.478 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.667 -5.368 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.890 -6.202 -8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.591 -7.379 -8.890 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.615 -5.061 -12.337 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.036 -4.267 -13.427 1.00 0.00 C ATOM 1471 C GLU A 99 -5.541 -2.828 -13.439 1.00 0.00 C ATOM 1472 O GLU A 99 -6.466 -2.492 -14.176 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.333 -4.927 -14.773 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.461 -4.421 -15.910 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.990 -3.141 -16.529 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -4.765 -2.061 -15.943 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -5.627 -3.220 -17.600 1.00 0.00 O ATOM 0 H GLU A 99 -6.502 -5.508 -12.567 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.960 -4.233 -13.256 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.199 -6.004 -14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.379 -4.758 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.451 -4.250 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.392 -5.190 -16.679 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.907 -1.981 -12.635 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.268 -0.571 -12.556 1.00 0.00 C ATOM 1486 C ARG A 100 -5.047 0.139 -13.888 1.00 0.00 C ATOM 1487 O ARG A 100 -4.001 -0.005 -14.519 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.452 0.112 -11.458 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.979 0.308 -11.804 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.567 1.770 -11.713 1.00 0.00 C ATOM 1491 NE ARG A 100 -2.525 2.426 -13.019 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.409 2.873 -13.596 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.225 2.687 -13.020 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -1.473 3.504 -14.759 1.00 0.00 N ATOM 0 H ARG A 100 -4.135 -2.250 -12.025 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.329 -0.508 -12.316 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.896 1.084 -11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.524 -0.480 -10.546 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.365 -0.286 -11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.790 -0.061 -12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.266 2.301 -11.067 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.585 1.838 -11.245 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.405 2.549 -13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.163 2.198 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.622 3.034 -13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.375 3.648 -15.212 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.620 3.846 -15.201 1.00 0.00 H new