USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=10 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 Single : A 11 LYS NZ :NH3+ 153:sc= 0.154 (180deg=-0.00024) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.265 USER MOD Single : A 46 MET CE :methyl -160:sc= -0.189 (180deg=-0.714) USER MOD Single : A 48 GLN : amide:sc= -0.0785 K(o=-0.079,f=-1.2!) USER MOD Single : A 51 MET CE :methyl 177:sc= -3.36 (180deg=-3.58) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.7 K(o=-1.7,f=0.02) 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 180:sc= -0.0404 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-3.4!) USER MOD Single : A 82 ASN : amide:sc= -5.42! K(o=-5.4!,f=-1.6) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.16 K(o=-2.2,f=-5.7!) USER MOD Single : A 95 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 -9.242 -0.961 -12.165 1.00 0.00 N ATOM 143 CA GLU A 10 -8.521 -2.221 -12.236 1.00 0.00 C ATOM 144 C GLU A 10 -9.458 -3.422 -12.206 1.00 0.00 C ATOM 145 O GLU A 10 -10.446 -3.442 -11.472 1.00 0.00 O ATOM 146 CB GLU A 10 -7.502 -2.304 -11.102 1.00 0.00 C ATOM 147 CG GLU A 10 -8.110 -2.128 -9.719 1.00 0.00 C ATOM 148 CD GLU A 10 -7.116 -1.584 -8.710 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.928 -1.966 -8.782 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.525 -0.778 -7.849 1.00 0.00 O ATOM 0 HA GLU A 10 -7.998 -2.250 -13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.999 -3.270 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.740 -1.540 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.963 -1.452 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.490 -3.088 -9.368 1.00 0.00 H new ATOM 157 N LYS A 11 -9.129 -4.423 -13.018 1.00 0.00 N ATOM 158 CA LYS A 11 -9.918 -5.645 -13.108 1.00 0.00 C ATOM 159 C LYS A 11 -9.837 -6.436 -11.801 1.00 0.00 C ATOM 160 O LYS A 11 -9.653 -5.857 -10.732 1.00 0.00 O ATOM 161 CB LYS A 11 -9.425 -6.494 -14.285 1.00 0.00 C ATOM 162 CG LYS A 11 -9.268 -5.712 -15.579 1.00 0.00 C ATOM 163 CD LYS A 11 -8.636 -6.561 -16.672 1.00 0.00 C ATOM 164 CE LYS A 11 -9.109 -6.134 -18.050 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.721 -4.730 -18.361 1.00 0.00 N ATOM 0 H LYS A 11 -8.312 -4.409 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.962 -5.380 -13.277 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.466 -6.941 -14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.125 -7.313 -14.449 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.244 -5.357 -15.911 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.652 -4.831 -15.400 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.551 -6.478 -16.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.885 -7.610 -16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.688 -6.802 -18.801 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.193 -6.232 -18.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.633 -4.614 -19.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.449 -4.081 -18.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.810 -4.514 -17.909 1.00 0.00 H new ATOM 179 N ASP A 12 -9.976 -7.759 -11.885 1.00 0.00 N ATOM 180 CA ASP A 12 -9.914 -8.605 -10.700 1.00 0.00 C ATOM 181 C ASP A 12 -9.004 -9.809 -10.926 1.00 0.00 C ATOM 182 O ASP A 12 -9.119 -10.821 -10.236 1.00 0.00 O ATOM 183 CB ASP A 12 -11.317 -9.078 -10.314 1.00 0.00 C ATOM 184 CG ASP A 12 -12.043 -9.745 -11.466 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.216 -9.091 -12.515 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.438 -10.921 -11.319 1.00 0.00 O ATOM 0 H ASP A 12 -10.131 -8.263 -12.758 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.497 -8.011 -9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.245 -9.777 -9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.901 -8.226 -9.965 1.00 0.00 H new ATOM 191 N GLY A 13 -8.105 -9.696 -11.899 1.00 0.00 N ATOM 192 CA GLY A 13 -7.195 -10.787 -12.196 1.00 0.00 C ATOM 193 C GLY A 13 -5.841 -10.625 -11.531 1.00 0.00 C ATOM 194 O GLY A 13 -5.685 -9.828 -10.608 1.00 0.00 O ATOM 0 H GLY A 13 -7.991 -8.870 -12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.643 -11.726 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.058 -10.856 -13.275 1.00 0.00 H new ATOM 198 N ALA A 14 -4.861 -11.392 -12.001 1.00 0.00 N ATOM 199 CA ALA A 14 -3.511 -11.345 -11.449 1.00 0.00 C ATOM 200 C ALA A 14 -2.819 -10.019 -11.763 1.00 0.00 C ATOM 201 O ALA A 14 -3.427 -9.109 -12.327 1.00 0.00 O ATOM 202 CB ALA A 14 -2.691 -12.512 -11.983 1.00 0.00 C ATOM 0 H ALA A 14 -4.978 -12.056 -12.766 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.588 -11.425 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.685 -12.470 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.164 -13.451 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.637 -12.451 -13.070 1.00 0.00 H new ATOM 208 N VAL A 15 -1.527 -9.943 -11.447 1.00 0.00 N ATOM 209 CA VAL A 15 -0.733 -8.757 -11.750 1.00 0.00 C ATOM 210 C VAL A 15 -0.553 -8.602 -13.255 1.00 0.00 C ATOM 211 O VAL A 15 -0.463 -9.597 -13.974 1.00 0.00 O ATOM 212 CB VAL A 15 0.651 -8.792 -11.076 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.485 -9.955 -11.597 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.375 -7.466 -11.270 1.00 0.00 C ATOM 0 H VAL A 15 -1.010 -10.689 -10.982 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.283 -7.904 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 15 0.505 -8.945 -10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.457 -9.955 -11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.972 -10.893 -11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.624 -9.850 -12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.351 -7.510 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.506 -7.275 -12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.787 -6.662 -10.827 1.00 0.00 H new ATOM 224 N GLU A 16 -0.462 -7.369 -13.731 1.00 0.00 N ATOM 225 CA GLU A 16 -0.248 -7.122 -15.149 1.00 0.00 C ATOM 226 C GLU A 16 0.803 -6.030 -15.339 1.00 0.00 C ATOM 227 O GLU A 16 1.173 -5.343 -14.387 1.00 0.00 O ATOM 228 CB GLU A 16 -1.557 -6.746 -15.851 1.00 0.00 C ATOM 229 CG GLU A 16 -2.250 -7.925 -16.513 1.00 0.00 C ATOM 230 CD GLU A 16 -2.607 -7.657 -17.962 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.756 -7.914 -18.839 1.00 0.00 O ATOM 232 OE2 GLU A 16 -3.736 -7.190 -18.218 1.00 0.00 O ATOM 0 H GLU A 16 -0.533 -6.527 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 16 0.117 -8.042 -15.605 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.234 -6.298 -15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.351 -5.986 -16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.601 -8.799 -16.459 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.157 -8.166 -15.958 1.00 0.00 H new ATOM 239 N ALA A 17 1.304 -5.921 -16.567 1.00 0.00 N ATOM 240 CA ALA A 17 2.362 -4.957 -16.909 1.00 0.00 C ATOM 241 C ALA A 17 2.449 -3.807 -15.896 1.00 0.00 C ATOM 242 O ALA A 17 3.385 -3.756 -15.098 1.00 0.00 O ATOM 243 CB ALA A 17 2.135 -4.405 -18.309 1.00 0.00 C ATOM 0 H ALA A 17 0.994 -6.492 -17.353 1.00 0.00 H new ATOM 0 HA ALA A 17 3.311 -5.492 -16.877 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.924 -3.693 -18.552 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.150 -5.223 -19.029 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.168 -3.904 -18.350 1.00 0.00 H new ATOM 249 N GLU A 18 1.494 -2.882 -15.932 1.00 0.00 N ATOM 250 CA GLU A 18 1.511 -1.742 -15.011 1.00 0.00 C ATOM 251 C GLU A 18 0.280 -1.732 -14.106 1.00 0.00 C ATOM 252 O GLU A 18 -0.624 -0.913 -14.274 1.00 0.00 O ATOM 253 CB GLU A 18 1.594 -0.430 -15.795 1.00 0.00 C ATOM 254 CG GLU A 18 0.474 -0.253 -16.809 1.00 0.00 C ATOM 255 CD GLU A 18 0.959 -0.363 -18.241 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.408 0.661 -18.797 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.892 -1.475 -18.807 1.00 0.00 O ATOM 0 H GLU A 18 0.706 -2.895 -16.580 1.00 0.00 H new ATOM 0 HA GLU A 18 2.393 -1.841 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.573 0.404 -15.094 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.552 -0.386 -16.313 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.294 -1.006 -16.631 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.007 0.721 -16.662 1.00 0.00 H new ATOM 264 N ASP A 19 0.242 -2.672 -13.161 1.00 0.00 N ATOM 265 CA ASP A 19 -0.889 -2.804 -12.241 1.00 0.00 C ATOM 266 C ASP A 19 -0.621 -2.178 -10.875 1.00 0.00 C ATOM 267 O ASP A 19 0.426 -1.581 -10.641 1.00 0.00 O ATOM 268 CB ASP A 19 -1.200 -4.281 -12.047 1.00 0.00 C ATOM 269 CG ASP A 19 -1.862 -4.884 -13.259 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.628 -4.375 -14.374 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.609 -5.873 -13.096 1.00 0.00 O ATOM 0 H ASP A 19 0.984 -3.356 -13.012 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.730 -2.272 -12.686 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.277 -4.820 -11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.850 -4.404 -11.181 1.00 0.00 H new ATOM 276 N ARG A 20 -1.593 -2.340 -9.974 1.00 0.00 N ATOM 277 CA ARG A 20 -1.499 -1.822 -8.616 1.00 0.00 C ATOM 278 C ARG A 20 -2.045 -2.844 -7.612 1.00 0.00 C ATOM 279 O ARG A 20 -3.240 -3.137 -7.601 1.00 0.00 O ATOM 280 CB ARG A 20 -2.273 -0.513 -8.495 1.00 0.00 C ATOM 281 CG ARG A 20 -1.651 0.469 -7.523 1.00 0.00 C ATOM 282 CD ARG A 20 -1.007 1.642 -8.242 1.00 0.00 C ATOM 283 NE ARG A 20 -0.327 2.543 -7.312 1.00 0.00 N ATOM 284 CZ ARG A 20 0.009 3.797 -7.605 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.274 4.306 -8.798 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.632 4.543 -6.704 1.00 0.00 N ATOM 0 H ARG A 20 -2.464 -2.834 -10.169 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.449 -1.636 -8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.339 -0.047 -9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.292 -0.731 -8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.416 0.837 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.902 -0.043 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.292 1.270 -8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.769 2.194 -8.791 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.097 2.189 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.751 3.735 -9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.014 5.268 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.854 4.156 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.890 5.504 -6.928 1.00 0.00 H new ATOM 300 N VAL A 21 -1.163 -3.370 -6.766 1.00 0.00 N ATOM 301 CA VAL A 21 -1.543 -4.349 -5.745 1.00 0.00 C ATOM 302 C VAL A 21 -1.853 -3.684 -4.405 1.00 0.00 C ATOM 303 O VAL A 21 -1.506 -2.525 -4.182 1.00 0.00 O ATOM 304 CB VAL A 21 -0.419 -5.378 -5.520 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.209 -6.241 -6.754 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.870 -4.670 -5.130 1.00 0.00 C ATOM 0 H VAL A 21 -0.171 -3.133 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.439 -4.846 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.717 -6.036 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.590 -6.958 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.130 -6.777 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.063 -5.608 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.657 -5.408 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.165 -3.987 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.712 -4.107 -4.210 1.00 0.00 H new ATOM 316 N THR A 22 -2.466 -4.447 -3.495 1.00 0.00 N ATOM 317 CA THR A 22 -2.771 -3.954 -2.156 1.00 0.00 C ATOM 318 C THR A 22 -2.071 -4.845 -1.136 1.00 0.00 C ATOM 319 O THR A 22 -2.401 -6.023 -1.011 1.00 0.00 O ATOM 320 CB THR A 22 -4.281 -3.952 -1.910 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.936 -3.089 -2.821 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.659 -3.515 -0.510 1.00 0.00 C ATOM 0 H THR A 22 -2.760 -5.409 -3.665 1.00 0.00 H new ATOM 0 HA THR A 22 -2.416 -2.928 -2.058 1.00 0.00 H new ATOM 0 HB THR A 22 -4.598 -4.986 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.901 -3.103 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.743 -3.536 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.209 -4.192 0.216 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.297 -2.502 -0.335 1.00 0.00 H new ATOM 330 N ILE A 23 -1.083 -4.302 -0.430 1.00 0.00 N ATOM 331 CA ILE A 23 -0.340 -5.096 0.540 1.00 0.00 C ATOM 332 C ILE A 23 -0.221 -4.423 1.907 1.00 0.00 C ATOM 333 O ILE A 23 -0.210 -3.197 2.019 1.00 0.00 O ATOM 334 CB ILE A 23 1.091 -5.418 0.043 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.920 -4.139 -0.133 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.058 -6.223 -1.247 1.00 0.00 C ATOM 337 CD1 ILE A 23 1.698 -3.426 -1.453 1.00 0.00 C ATOM 0 H ILE A 23 -0.783 -3.331 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.920 -6.012 0.649 1.00 0.00 H new ATOM 0 HB ILE A 23 1.573 -6.028 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.685 -3.453 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.977 -4.390 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.077 -6.433 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.530 -7.161 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.543 -5.652 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.322 -2.533 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.962 -4.092 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.650 -3.140 -1.540 1.00 0.00 H new ATOM 349 N ASP A 24 -0.085 -5.258 2.931 1.00 0.00 N ATOM 350 CA ASP A 24 0.093 -4.805 4.307 1.00 0.00 C ATOM 351 C ASP A 24 1.433 -5.337 4.809 1.00 0.00 C ATOM 352 O ASP A 24 1.671 -6.544 4.760 1.00 0.00 O ATOM 353 CB ASP A 24 -1.038 -5.323 5.204 1.00 0.00 C ATOM 354 CG ASP A 24 -1.260 -6.815 5.056 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.674 -7.249 3.961 1.00 0.00 O ATOM 356 OD2 ASP A 24 -1.019 -7.550 6.038 1.00 0.00 O ATOM 0 H ASP A 24 -0.095 -6.273 2.830 1.00 0.00 H new ATOM 0 HA ASP A 24 0.073 -3.716 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.805 -5.095 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.961 -4.796 4.961 1.00 0.00 H new ATOM 361 N PHE A 25 2.325 -4.458 5.259 1.00 0.00 N ATOM 362 CA PHE A 25 3.636 -4.911 5.716 1.00 0.00 C ATOM 363 C PHE A 25 4.131 -4.153 6.939 1.00 0.00 C ATOM 364 O PHE A 25 3.544 -3.156 7.358 1.00 0.00 O ATOM 365 CB PHE A 25 4.659 -4.787 4.587 1.00 0.00 C ATOM 366 CG PHE A 25 5.017 -3.373 4.230 1.00 0.00 C ATOM 367 CD1 PHE A 25 5.797 -2.600 5.078 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.560 -2.811 3.047 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.114 -1.294 4.751 1.00 0.00 C ATOM 370 CE2 PHE A 25 4.869 -1.508 2.725 1.00 0.00 C ATOM 371 CZ PHE A 25 5.644 -0.749 3.572 1.00 0.00 C ATOM 0 H PHE A 25 2.170 -3.451 5.317 1.00 0.00 H new ATOM 0 HA PHE A 25 3.522 -5.955 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.567 -5.318 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.266 -5.285 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.160 -3.022 6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.957 -3.400 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.727 -0.702 5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.502 -1.080 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.885 0.272 3.315 1.00 0.00 H new ATOM 381 N THR A 26 5.220 -4.659 7.509 1.00 0.00 N ATOM 382 CA THR A 26 5.822 -4.060 8.698 1.00 0.00 C ATOM 383 C THR A 26 7.326 -4.336 8.756 1.00 0.00 C ATOM 384 O THR A 26 7.747 -5.491 8.839 1.00 0.00 O ATOM 385 CB THR A 26 5.148 -4.620 9.953 1.00 0.00 C ATOM 386 OG1 THR A 26 3.747 -4.720 9.768 1.00 0.00 O ATOM 387 CG2 THR A 26 5.388 -3.787 11.193 1.00 0.00 C ATOM 0 H THR A 26 5.707 -5.487 7.165 1.00 0.00 H new ATOM 0 HA THR A 26 5.675 -2.981 8.648 1.00 0.00 H new ATOM 0 HB THR A 26 5.600 -5.600 10.105 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.335 -5.081 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.881 -4.244 12.042 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.458 -3.735 11.395 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.999 -2.781 11.037 1.00 0.00 H new ATOM 395 N GLY A 27 8.134 -3.275 8.712 1.00 0.00 N ATOM 396 CA GLY A 27 9.581 -3.450 8.764 1.00 0.00 C ATOM 397 C GLY A 27 10.347 -2.164 9.048 1.00 0.00 C ATOM 398 O GLY A 27 9.826 -1.066 8.869 1.00 0.00 O ATOM 0 H GLY A 27 7.818 -2.308 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.821 -4.183 9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.922 -3.863 7.814 1.00 0.00 H new ATOM 402 N SER A 28 11.597 -2.315 9.484 1.00 0.00 N ATOM 403 CA SER A 28 12.472 -1.180 9.791 1.00 0.00 C ATOM 404 C SER A 28 13.394 -0.896 8.612 1.00 0.00 C ATOM 405 O SER A 28 13.206 -1.436 7.525 1.00 0.00 O ATOM 406 CB SER A 28 13.318 -1.487 11.033 1.00 0.00 C ATOM 407 OG SER A 28 12.974 -2.745 11.589 1.00 0.00 O ATOM 0 H SER A 28 12.033 -3.225 9.635 1.00 0.00 H new ATOM 0 HA SER A 28 11.851 -0.305 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.375 -1.481 10.767 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.172 -0.705 11.778 1.00 0.00 H new ATOM 0 HG SER A 28 13.529 -2.917 12.378 1.00 0.00 H new ATOM 413 N VAL A 29 14.397 -0.053 8.845 1.00 0.00 N ATOM 414 CA VAL A 29 15.362 0.309 7.820 1.00 0.00 C ATOM 415 C VAL A 29 16.596 -0.599 7.906 1.00 0.00 C ATOM 416 O VAL A 29 16.494 -1.789 7.604 1.00 0.00 O ATOM 417 CB VAL A 29 15.726 1.813 7.917 1.00 0.00 C ATOM 418 CG1 VAL A 29 16.156 2.193 9.328 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.775 2.201 6.883 1.00 0.00 C ATOM 0 H VAL A 29 14.560 0.395 9.747 1.00 0.00 H new ATOM 0 HA VAL A 29 14.915 0.155 6.838 1.00 0.00 H new ATOM 0 HB VAL A 29 14.825 2.383 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.404 3.254 9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.342 1.990 10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 29 17.031 1.608 9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 29 17.006 3.262 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.680 1.616 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.390 2.003 5.883 1.00 0.00 H new ATOM 429 N ASP A 30 17.747 -0.084 8.330 1.00 0.00 N ATOM 430 CA ASP A 30 18.931 -0.915 8.450 1.00 0.00 C ATOM 431 C ASP A 30 19.020 -1.453 9.871 1.00 0.00 C ATOM 432 O ASP A 30 20.095 -1.492 10.470 1.00 0.00 O ATOM 433 CB ASP A 30 20.188 -0.115 8.102 1.00 0.00 C ATOM 434 CG ASP A 30 20.269 1.196 8.863 1.00 0.00 C ATOM 435 OD1 ASP A 30 19.466 2.105 8.566 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.136 1.311 9.753 1.00 0.00 O ATOM 0 H ASP A 30 17.880 0.893 8.592 1.00 0.00 H new ATOM 0 HA ASP A 30 18.859 -1.748 7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 30 21.070 -0.715 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.201 0.088 7.031 1.00 0.00 H new ATOM 441 N GLY A 31 17.865 -1.839 10.415 1.00 0.00 N ATOM 442 CA GLY A 31 17.817 -2.339 11.775 1.00 0.00 C ATOM 443 C GLY A 31 17.424 -1.246 12.750 1.00 0.00 C ATOM 444 O GLY A 31 17.423 -1.451 13.963 1.00 0.00 O ATOM 0 H GLY A 31 16.965 -1.813 9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.102 -3.160 11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.791 -2.743 12.051 1.00 0.00 H new ATOM 448 N GLU A 32 17.086 -0.077 12.205 1.00 0.00 N ATOM 449 CA GLU A 32 16.684 1.067 13.004 1.00 0.00 C ATOM 450 C GLU A 32 15.295 1.536 12.604 1.00 0.00 C ATOM 451 O GLU A 32 14.617 0.908 11.792 1.00 0.00 O ATOM 452 CB GLU A 32 17.690 2.208 12.839 1.00 0.00 C ATOM 453 CG GLU A 32 19.135 1.784 13.057 1.00 0.00 C ATOM 454 CD GLU A 32 19.746 2.408 14.297 1.00 0.00 C ATOM 455 OE1 GLU A 32 20.096 3.606 14.248 1.00 0.00 O ATOM 456 OE2 GLU A 32 19.877 1.699 15.316 1.00 0.00 O ATOM 0 H GLU A 32 17.085 0.097 11.200 1.00 0.00 H new ATOM 0 HA GLU A 32 16.661 0.764 14.051 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.590 2.627 11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.443 3.003 13.543 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.182 0.698 13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.727 2.063 12.185 1.00 0.00 H new ATOM 463 N GLU A 33 14.883 2.644 13.190 1.00 0.00 N ATOM 464 CA GLU A 33 13.580 3.225 12.929 1.00 0.00 C ATOM 465 C GLU A 33 13.388 3.520 11.448 1.00 0.00 C ATOM 466 O GLU A 33 14.200 4.192 10.816 1.00 0.00 O ATOM 467 CB GLU A 33 13.405 4.508 13.743 1.00 0.00 C ATOM 468 CG GLU A 33 12.906 4.266 15.158 1.00 0.00 C ATOM 469 CD GLU A 33 13.384 5.325 16.134 1.00 0.00 C ATOM 470 OE1 GLU A 33 14.435 5.945 15.868 1.00 0.00 O ATOM 471 OE2 GLU A 33 12.706 5.531 17.162 1.00 0.00 O ATOM 0 H GLU A 33 15.444 3.168 13.862 1.00 0.00 H new ATOM 0 HA GLU A 33 12.824 2.499 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.359 5.033 13.788 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.704 5.164 13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.816 4.244 15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.244 3.286 15.496 1.00 0.00 H new ATOM 478 N PHE A 34 12.275 3.033 10.927 1.00 0.00 N ATOM 479 CA PHE A 34 11.915 3.254 9.533 1.00 0.00 C ATOM 480 C PHE A 34 10.700 4.170 9.431 1.00 0.00 C ATOM 481 O PHE A 34 9.914 4.281 10.372 1.00 0.00 O ATOM 482 CB PHE A 34 11.624 1.931 8.829 1.00 0.00 C ATOM 483 CG PHE A 34 11.339 2.087 7.365 1.00 0.00 C ATOM 484 CD1 PHE A 34 12.355 2.384 6.475 1.00 0.00 C ATOM 485 CD2 PHE A 34 10.054 1.941 6.879 1.00 0.00 C ATOM 486 CE1 PHE A 34 12.094 2.531 5.129 1.00 0.00 C ATOM 487 CE2 PHE A 34 9.784 2.091 5.533 1.00 0.00 C ATOM 488 CZ PHE A 34 10.808 2.386 4.656 1.00 0.00 C ATOM 0 H PHE A 34 11.599 2.478 11.451 1.00 0.00 H new ATOM 0 HA PHE A 34 12.762 3.732 9.042 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.477 1.264 8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.770 1.452 9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 34 13.365 2.502 6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.250 1.706 7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.898 2.760 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.774 1.978 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.602 2.503 3.602 1.00 0.00 H new ATOM 498 N GLU A 35 10.551 4.819 8.282 1.00 0.00 N ATOM 499 CA GLU A 35 9.424 5.720 8.060 1.00 0.00 C ATOM 500 C GLU A 35 8.131 4.928 7.975 1.00 0.00 C ATOM 501 O GLU A 35 7.355 4.887 8.931 1.00 0.00 O ATOM 502 CB GLU A 35 9.631 6.537 6.784 1.00 0.00 C ATOM 503 CG GLU A 35 10.560 7.727 6.966 1.00 0.00 C ATOM 504 CD GLU A 35 9.993 9.006 6.381 1.00 0.00 C ATOM 505 OE1 GLU A 35 8.753 9.133 6.322 1.00 0.00 O ATOM 506 OE2 GLU A 35 10.792 9.880 5.982 1.00 0.00 O ATOM 0 H GLU A 35 11.192 4.740 7.493 1.00 0.00 H new ATOM 0 HA GLU A 35 9.360 6.409 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.035 5.887 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.664 6.893 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.753 7.873 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.518 7.510 6.494 1.00 0.00 H new ATOM 513 N GLY A 36 7.918 4.270 6.845 1.00 0.00 N ATOM 514 CA GLY A 36 6.730 3.457 6.683 1.00 0.00 C ATOM 515 C GLY A 36 6.912 2.107 7.344 1.00 0.00 C ATOM 516 O GLY A 36 6.682 1.068 6.727 1.00 0.00 O ATOM 0 H GLY A 36 8.544 4.284 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.871 3.968 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.517 3.323 5.623 1.00 0.00 H new ATOM 520 N GLY A 37 7.357 2.126 8.600 1.00 0.00 N ATOM 521 CA GLY A 37 7.600 0.894 9.322 1.00 0.00 C ATOM 522 C GLY A 37 6.392 -0.015 9.390 1.00 0.00 C ATOM 523 O GLY A 37 6.523 -1.198 9.703 1.00 0.00 O ATOM 0 H GLY A 37 7.553 2.976 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.421 0.359 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.922 1.134 10.335 1.00 0.00 H new ATOM 527 N LYS A 38 5.215 0.522 9.099 1.00 0.00 N ATOM 528 CA LYS A 38 3.998 -0.276 9.134 1.00 0.00 C ATOM 529 C LYS A 38 3.004 0.185 8.080 1.00 0.00 C ATOM 530 O LYS A 38 2.642 1.359 8.014 1.00 0.00 O ATOM 531 CB LYS A 38 3.355 -0.209 10.517 1.00 0.00 C ATOM 532 CG LYS A 38 3.268 1.200 11.075 1.00 0.00 C ATOM 533 CD LYS A 38 4.320 1.439 12.144 1.00 0.00 C ATOM 534 CE LYS A 38 4.124 0.512 13.332 1.00 0.00 C ATOM 535 NZ LYS A 38 3.365 1.170 14.430 1.00 0.00 N ATOM 0 H LYS A 38 5.078 1.498 8.838 1.00 0.00 H new ATOM 0 HA LYS A 38 4.273 -1.308 8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.352 -0.633 10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.928 -0.830 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.397 1.921 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.276 1.366 11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.313 1.285 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.273 2.476 12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.593 -0.384 13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.096 0.190 13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.253 0.505 15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.884 2.011 14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.427 1.455 14.082 1.00 0.00 H new ATOM 549 N ALA A 39 2.562 -0.759 7.268 1.00 0.00 N ATOM 550 CA ALA A 39 1.597 -0.483 6.218 1.00 0.00 C ATOM 551 C ALA A 39 0.528 -1.562 6.192 1.00 0.00 C ATOM 552 O ALA A 39 0.816 -2.742 6.380 1.00 0.00 O ATOM 553 CB ALA A 39 2.282 -0.382 4.864 1.00 0.00 C ATOM 0 H ALA A 39 2.860 -1.733 7.317 1.00 0.00 H new ATOM 0 HA ALA A 39 1.124 0.476 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.538 -0.175 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.015 0.424 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.784 -1.323 4.639 1.00 0.00 H new ATOM 559 N SER A 40 -0.706 -1.151 5.959 1.00 0.00 N ATOM 560 CA SER A 40 -1.820 -2.085 5.908 1.00 0.00 C ATOM 561 C SER A 40 -2.398 -2.139 4.506 1.00 0.00 C ATOM 562 O SER A 40 -2.355 -3.172 3.840 1.00 0.00 O ATOM 563 CB SER A 40 -2.906 -1.681 6.909 1.00 0.00 C ATOM 564 OG SER A 40 -3.526 -0.466 6.526 1.00 0.00 O ATOM 0 H SER A 40 -0.963 -0.177 5.802 1.00 0.00 H new ATOM 0 HA SER A 40 -1.451 -3.075 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.655 -2.470 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.468 -1.572 7.901 1.00 0.00 H new ATOM 0 HG SER A 40 -4.217 -0.231 7.180 1.00 0.00 H new ATOM 570 N ASP A 41 -2.879 -1.004 4.033 1.00 0.00 N ATOM 571 CA ASP A 41 -3.398 -0.881 2.692 1.00 0.00 C ATOM 572 C ASP A 41 -2.349 -0.187 1.843 1.00 0.00 C ATOM 573 O ASP A 41 -2.522 0.968 1.454 1.00 0.00 O ATOM 574 CB ASP A 41 -4.707 -0.088 2.686 1.00 0.00 C ATOM 575 CG ASP A 41 -4.582 1.237 3.412 1.00 0.00 C ATOM 576 OD1 ASP A 41 -4.729 1.252 4.651 1.00 0.00 O ATOM 577 OD2 ASP A 41 -4.337 2.262 2.739 1.00 0.00 O ATOM 0 H ASP A 41 -2.919 -0.140 4.574 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.615 -1.869 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.015 0.093 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.492 -0.683 3.154 1.00 0.00 H new ATOM 582 N PHE A 42 -1.268 -0.883 1.546 1.00 0.00 N ATOM 583 CA PHE A 42 -0.209 -0.303 0.729 1.00 0.00 C ATOM 584 C PHE A 42 -0.521 -0.524 -0.739 1.00 0.00 C ATOM 585 O PHE A 42 -0.525 -1.658 -1.216 1.00 0.00 O ATOM 586 CB PHE A 42 1.153 -0.918 1.078 1.00 0.00 C ATOM 587 CG PHE A 42 2.325 -0.171 0.494 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.339 1.216 0.479 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.409 -0.852 -0.048 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.406 1.907 -0.058 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.477 -0.162 -0.588 1.00 0.00 C ATOM 592 CZ PHE A 42 4.476 1.218 -0.593 1.00 0.00 C ATOM 0 H PHE A 42 -1.097 -1.841 1.852 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.159 0.767 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.259 -0.951 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.178 -1.948 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.504 1.762 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.416 -1.932 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.404 2.987 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.313 -0.703 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.311 1.758 -1.015 1.00 0.00 H new ATOM 602 N VAL A 43 -0.796 0.555 -1.455 1.00 0.00 N ATOM 603 CA VAL A 43 -1.118 0.456 -2.863 1.00 0.00 C ATOM 604 C VAL A 43 0.139 0.565 -3.713 1.00 0.00 C ATOM 605 O VAL A 43 0.603 1.663 -4.020 1.00 0.00 O ATOM 606 CB VAL A 43 -2.115 1.543 -3.275 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.567 1.323 -4.707 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.304 1.563 -2.328 1.00 0.00 C ATOM 0 H VAL A 43 -0.802 1.505 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.575 -0.520 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.621 2.513 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.276 2.102 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.703 1.361 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.047 0.348 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.002 2.342 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.806 0.596 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.958 1.766 -1.314 1.00 0.00 H new ATOM 618 N LEU A 44 0.689 -0.584 -4.077 1.00 0.00 N ATOM 619 CA LEU A 44 1.900 -0.631 -4.879 1.00 0.00 C ATOM 620 C LEU A 44 1.577 -0.661 -6.365 1.00 0.00 C ATOM 621 O LEU A 44 0.731 -1.432 -6.808 1.00 0.00 O ATOM 622 CB LEU A 44 2.729 -1.860 -4.506 1.00 0.00 C ATOM 623 CG LEU A 44 4.200 -1.580 -4.210 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.959 -2.883 -4.038 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.820 -0.744 -5.320 1.00 0.00 C ATOM 0 H LEU A 44 0.313 -1.499 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 44 2.474 0.272 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.281 -2.330 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.669 -2.581 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 44 4.264 -1.015 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.007 -2.669 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.530 -3.447 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.886 -3.470 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.869 -0.555 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.746 -1.282 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.290 0.205 -5.400 1.00 0.00 H new ATOM 637 N ALA A 45 2.283 0.163 -7.129 1.00 0.00 N ATOM 638 CA ALA A 45 2.093 0.212 -8.573 1.00 0.00 C ATOM 639 C ALA A 45 3.129 -0.665 -9.267 1.00 0.00 C ATOM 640 O ALA A 45 4.298 -0.293 -9.365 1.00 0.00 O ATOM 641 CB ALA A 45 2.210 1.641 -9.081 1.00 0.00 C ATOM 0 H ALA A 45 2.991 0.805 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 45 1.094 -0.160 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.065 1.656 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.450 2.260 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.199 2.032 -8.842 1.00 0.00 H new ATOM 647 N MET A 46 2.708 -1.830 -9.742 1.00 0.00 N ATOM 648 CA MET A 46 3.624 -2.742 -10.414 1.00 0.00 C ATOM 649 C MET A 46 4.053 -2.186 -11.766 1.00 0.00 C ATOM 650 O MET A 46 3.474 -2.514 -12.800 1.00 0.00 O ATOM 651 CB MET A 46 2.986 -4.122 -10.583 1.00 0.00 C ATOM 652 CG MET A 46 3.617 -5.181 -9.693 1.00 0.00 C ATOM 653 SD MET A 46 5.371 -5.417 -10.036 1.00 0.00 S ATOM 654 CE MET A 46 5.317 -5.882 -11.765 1.00 0.00 C ATOM 0 H MET A 46 1.746 -2.164 -9.675 1.00 0.00 H new ATOM 0 HA MET A 46 4.512 -2.845 -9.790 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.921 -4.054 -10.359 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.073 -4.431 -11.624 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.490 -4.896 -8.649 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.093 -6.127 -9.832 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.241 -6.395 -12.033 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.470 -6.546 -11.937 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.208 -4.988 -12.379 1.00 0.00 H new ATOM 664 N GLY A 47 5.081 -1.343 -11.735 1.00 0.00 N ATOM 665 CA GLY A 47 5.597 -0.742 -12.951 1.00 0.00 C ATOM 666 C GLY A 47 5.194 0.712 -13.104 1.00 0.00 C ATOM 667 O GLY A 47 4.609 1.097 -14.116 1.00 0.00 O ATOM 0 H GLY A 47 5.568 -1.064 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.685 -0.815 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.237 -1.307 -13.811 1.00 0.00 H new ATOM 671 N GLN A 48 5.511 1.522 -12.099 1.00 0.00 N ATOM 672 CA GLN A 48 5.180 2.942 -12.130 1.00 0.00 C ATOM 673 C GLN A 48 6.438 3.782 -12.333 1.00 0.00 C ATOM 674 O GLN A 48 6.648 4.357 -13.400 1.00 0.00 O ATOM 675 CB GLN A 48 4.475 3.352 -10.836 1.00 0.00 C ATOM 676 CG GLN A 48 3.192 4.135 -11.065 1.00 0.00 C ATOM 677 CD GLN A 48 3.426 5.631 -11.134 1.00 0.00 C ATOM 678 OE1 GLN A 48 4.285 6.172 -10.436 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.661 6.310 -11.982 1.00 0.00 N ATOM 0 H GLN A 48 5.996 1.220 -11.254 1.00 0.00 H new ATOM 0 HA GLN A 48 4.506 3.119 -12.968 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.247 2.457 -10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.157 3.955 -10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.727 3.801 -11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.490 3.918 -10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.962 5.822 -12.541 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.773 7.320 -12.074 1.00 0.00 H new ATOM 688 N GLY A 49 7.272 3.840 -11.302 1.00 0.00 N ATOM 689 CA GLY A 49 8.504 4.602 -11.387 1.00 0.00 C ATOM 690 C GLY A 49 9.697 3.717 -11.684 1.00 0.00 C ATOM 691 O GLY A 49 10.428 3.950 -12.648 1.00 0.00 O ATOM 0 H GLY A 49 7.118 3.373 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.410 5.358 -12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.669 5.131 -10.448 1.00 0.00 H new ATOM 695 N ARG A 50 9.887 2.697 -10.856 1.00 0.00 N ATOM 696 CA ARG A 50 10.992 1.760 -11.026 1.00 0.00 C ATOM 697 C ARG A 50 10.967 0.698 -9.932 1.00 0.00 C ATOM 698 O ARG A 50 11.828 0.676 -9.052 1.00 0.00 O ATOM 699 CB ARG A 50 12.333 2.498 -11.012 1.00 0.00 C ATOM 700 CG ARG A 50 12.641 3.177 -9.685 1.00 0.00 C ATOM 701 CD ARG A 50 13.970 2.707 -9.114 1.00 0.00 C ATOM 702 NE ARG A 50 15.028 2.706 -10.125 1.00 0.00 N ATOM 703 CZ ARG A 50 15.823 1.668 -10.377 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.703 0.537 -9.690 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.750 1.760 -11.322 1.00 0.00 N ATOM 0 H ARG A 50 9.287 2.497 -10.056 1.00 0.00 H new ATOM 0 HA ARG A 50 10.875 1.269 -11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.130 1.791 -11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.334 3.248 -11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.666 4.258 -9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.843 2.966 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.259 3.355 -8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.855 1.702 -8.707 1.00 0.00 H new ATOM 0 HE ARG A 50 15.165 3.556 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.996 0.457 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.318 -0.251 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.852 2.625 -11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.360 0.966 -11.517 1.00 0.00 H new ATOM 719 N MET A 51 9.970 -0.182 -9.990 1.00 0.00 N ATOM 720 CA MET A 51 9.825 -1.250 -9.003 1.00 0.00 C ATOM 721 C MET A 51 11.166 -1.921 -8.723 1.00 0.00 C ATOM 722 O MET A 51 11.743 -2.569 -9.597 1.00 0.00 O ATOM 723 CB MET A 51 8.814 -2.290 -9.491 1.00 0.00 C ATOM 724 CG MET A 51 8.138 -3.054 -8.363 1.00 0.00 C ATOM 725 SD MET A 51 6.464 -2.470 -8.032 1.00 0.00 S ATOM 726 CE MET A 51 6.758 -0.722 -7.776 1.00 0.00 C ATOM 0 H MET A 51 9.249 -0.177 -10.712 1.00 0.00 H new ATOM 0 HA MET A 51 9.462 -0.806 -8.076 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.052 -1.791 -10.089 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.321 -2.998 -10.146 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.105 -4.114 -8.616 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.737 -2.961 -7.457 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.808 -0.213 -7.613 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.397 -0.584 -6.904 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.248 -0.303 -8.655 1.00 0.00 H new ATOM 736 N ILE A 52 11.652 -1.769 -7.497 1.00 0.00 N ATOM 737 CA ILE A 52 12.921 -2.371 -7.098 1.00 0.00 C ATOM 738 C ILE A 52 12.798 -3.888 -7.028 1.00 0.00 C ATOM 739 O ILE A 52 11.691 -4.426 -6.989 1.00 0.00 O ATOM 740 CB ILE A 52 13.424 -1.846 -5.728 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.262 -1.397 -4.836 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.411 -0.707 -5.927 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.677 -1.089 -3.414 1.00 0.00 C ATOM 0 H ILE A 52 11.188 -1.235 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 52 13.647 -2.087 -7.860 1.00 0.00 H new ATOM 0 HB ILE A 52 13.931 -2.669 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.801 -0.510 -5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.501 -2.178 -4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.755 -0.350 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.264 -1.062 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.923 0.108 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.804 -0.778 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.111 -1.980 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.415 -0.287 -3.416 1.00 0.00 H new ATOM 755 N PRO A 53 13.933 -4.605 -6.998 1.00 0.00 N ATOM 756 CA PRO A 53 13.929 -6.068 -6.914 1.00 0.00 C ATOM 757 C PRO A 53 13.285 -6.556 -5.620 1.00 0.00 C ATOM 758 O PRO A 53 12.979 -7.737 -5.477 1.00 0.00 O ATOM 759 CB PRO A 53 15.414 -6.443 -6.950 1.00 0.00 C ATOM 760 CG PRO A 53 16.134 -5.208 -6.529 1.00 0.00 C ATOM 761 CD PRO A 53 15.302 -4.059 -7.025 1.00 0.00 C ATOM 0 HA PRO A 53 13.352 -6.523 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.628 -7.273 -6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.718 -6.756 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.246 -5.171 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.137 -5.176 -6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.400 -3.183 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.595 -3.753 -8.029 1.00 0.00 H new ATOM 769 N GLY A 54 13.081 -5.634 -4.680 1.00 0.00 N ATOM 770 CA GLY A 54 12.472 -5.980 -3.413 1.00 0.00 C ATOM 771 C GLY A 54 10.972 -6.160 -3.518 1.00 0.00 C ATOM 772 O GLY A 54 10.451 -7.251 -3.279 1.00 0.00 O ATOM 0 H GLY A 54 13.330 -4.650 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.919 -6.901 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.690 -5.200 -2.684 1.00 0.00 H new ATOM 776 N PHE A 55 10.273 -5.091 -3.887 1.00 0.00 N ATOM 777 CA PHE A 55 8.830 -5.144 -4.032 1.00 0.00 C ATOM 778 C PHE A 55 8.456 -6.004 -5.227 1.00 0.00 C ATOM 779 O PHE A 55 7.576 -6.862 -5.143 1.00 0.00 O ATOM 780 CB PHE A 55 8.243 -3.743 -4.226 1.00 0.00 C ATOM 781 CG PHE A 55 8.114 -2.921 -2.970 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.208 -3.260 -1.970 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.889 -1.785 -2.802 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.084 -2.485 -0.837 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.771 -1.008 -1.666 1.00 0.00 C ATOM 786 CZ PHE A 55 7.866 -1.357 -0.685 1.00 0.00 C ATOM 0 H PHE A 55 10.686 -4.181 -4.090 1.00 0.00 H new ATOM 0 HA PHE A 55 8.421 -5.576 -3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.869 -3.199 -4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.257 -3.840 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.594 -4.141 -2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.595 -1.503 -3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.376 -2.760 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.386 -0.129 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.769 -0.748 0.202 1.00 0.00 H new ATOM 796 N GLU A 56 9.137 -5.764 -6.343 1.00 0.00 N ATOM 797 CA GLU A 56 8.890 -6.511 -7.567 1.00 0.00 C ATOM 798 C GLU A 56 8.980 -8.013 -7.321 1.00 0.00 C ATOM 799 O GLU A 56 8.461 -8.804 -8.101 1.00 0.00 O ATOM 800 CB GLU A 56 9.885 -6.098 -8.653 1.00 0.00 C ATOM 801 CG GLU A 56 9.423 -6.439 -10.061 1.00 0.00 C ATOM 802 CD GLU A 56 10.212 -5.707 -11.127 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.407 -6.023 -11.304 1.00 0.00 O ATOM 804 OE2 GLU A 56 9.634 -4.816 -11.785 1.00 0.00 O ATOM 0 H GLU A 56 9.866 -5.055 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 56 7.879 -6.279 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.058 -5.024 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.840 -6.587 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.516 -7.513 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.366 -6.192 -10.162 1.00 0.00 H new ATOM 811 N ASP A 57 9.642 -8.403 -6.233 1.00 0.00 N ATOM 812 CA ASP A 57 9.787 -9.814 -5.900 1.00 0.00 C ATOM 813 C ASP A 57 8.528 -10.352 -5.226 1.00 0.00 C ATOM 814 O ASP A 57 7.754 -11.089 -5.839 1.00 0.00 O ATOM 815 CB ASP A 57 10.998 -10.029 -4.988 1.00 0.00 C ATOM 816 CG ASP A 57 11.952 -11.073 -5.533 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.802 -10.719 -6.376 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.850 -12.247 -5.116 1.00 0.00 O ATOM 0 H ASP A 57 10.083 -7.764 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 57 9.941 -10.361 -6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.529 -9.085 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.655 -10.334 -3.999 1.00 0.00 H new ATOM 823 N GLY A 58 8.342 -10.005 -3.954 1.00 0.00 N ATOM 824 CA GLY A 58 7.189 -10.489 -3.217 1.00 0.00 C ATOM 825 C GLY A 58 5.889 -9.928 -3.739 1.00 0.00 C ATOM 826 O GLY A 58 4.964 -10.674 -4.057 1.00 0.00 O ATOM 0 H GLY A 58 8.968 -9.399 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.159 -11.577 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.298 -10.225 -2.165 1.00 0.00 H new ATOM 830 N ILE A 59 5.822 -8.609 -3.827 1.00 0.00 N ATOM 831 CA ILE A 59 4.647 -7.917 -4.307 1.00 0.00 C ATOM 832 C ILE A 59 4.565 -7.963 -5.820 1.00 0.00 C ATOM 833 O ILE A 59 4.100 -7.025 -6.469 1.00 0.00 O ATOM 834 CB ILE A 59 4.678 -6.465 -3.822 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.004 -6.419 -2.326 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.359 -5.779 -4.104 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.481 -6.497 -2.020 1.00 0.00 C ATOM 0 H ILE A 59 6.588 -7.989 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 59 3.763 -8.416 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 59 5.458 -5.931 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.604 -5.497 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.495 -7.244 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.402 -4.748 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.166 -5.788 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.557 -6.306 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.632 -6.459 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.884 -7.432 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.994 -5.657 -2.488 1.00 0.00 H new ATOM 849 N LYS A 60 4.953 -9.107 -6.353 1.00 0.00 N ATOM 850 CA LYS A 60 4.853 -9.337 -7.781 1.00 0.00 C ATOM 851 C LYS A 60 3.426 -8.970 -8.167 1.00 0.00 C ATOM 852 O LYS A 60 3.175 -8.189 -9.084 1.00 0.00 O ATOM 853 CB LYS A 60 5.145 -10.800 -8.127 1.00 0.00 C ATOM 854 CG LYS A 60 6.561 -11.038 -8.623 1.00 0.00 C ATOM 855 CD LYS A 60 6.585 -11.532 -10.061 1.00 0.00 C ATOM 856 CE LYS A 60 7.188 -12.923 -10.164 1.00 0.00 C ATOM 857 NZ LYS A 60 6.874 -13.572 -11.465 1.00 0.00 N ATOM 0 H LYS A 60 5.338 -9.887 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 60 5.583 -8.738 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.970 -11.415 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.441 -11.131 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.132 -10.112 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.052 -11.769 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.570 -11.544 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.160 -10.839 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.269 -12.859 -10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.812 -13.542 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.304 -14.518 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.843 -13.657 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.255 -12.995 -12.242 1.00 0.00 H new ATOM 871 N GLY A 61 2.506 -9.601 -7.449 1.00 0.00 N ATOM 872 CA GLY A 61 1.092 -9.430 -7.676 1.00 0.00 C ATOM 873 C GLY A 61 0.522 -10.692 -8.259 1.00 0.00 C ATOM 874 O GLY A 61 -0.227 -10.675 -9.236 1.00 0.00 O ATOM 0 H GLY A 61 2.729 -10.247 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.589 -9.190 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.920 -8.594 -8.354 1.00 0.00 H new ATOM 878 N HIS A 62 0.917 -11.803 -7.654 1.00 0.00 N ATOM 879 CA HIS A 62 0.481 -13.123 -8.116 1.00 0.00 C ATOM 880 C HIS A 62 -0.202 -13.931 -7.017 1.00 0.00 C ATOM 881 O HIS A 62 -0.774 -14.989 -7.284 1.00 0.00 O ATOM 882 CB HIS A 62 1.677 -13.908 -8.663 1.00 0.00 C ATOM 883 CG HIS A 62 2.859 -13.938 -7.740 1.00 0.00 C ATOM 884 ND1 HIS A 62 4.124 -14.302 -8.150 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.967 -13.648 -6.421 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.957 -14.237 -7.127 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.280 -13.841 -6.066 1.00 0.00 N ATOM 0 H HIS A 62 1.537 -11.822 -6.844 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.253 -12.959 -8.905 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.364 -14.931 -8.869 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.982 -13.470 -9.614 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.169 -13.325 -5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.012 -14.468 -7.154 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.669 -13.701 -5.133 1.00 0.00 H new ATOM 895 N LYS A 63 -0.147 -13.441 -5.786 1.00 0.00 N ATOM 896 CA LYS A 63 -0.767 -14.139 -4.667 1.00 0.00 C ATOM 897 C LYS A 63 -1.722 -13.220 -3.913 1.00 0.00 C ATOM 898 O LYS A 63 -1.370 -12.656 -2.876 1.00 0.00 O ATOM 899 CB LYS A 63 0.303 -14.676 -3.716 1.00 0.00 C ATOM 900 CG LYS A 63 1.176 -15.761 -4.327 1.00 0.00 C ATOM 901 CD LYS A 63 0.726 -17.148 -3.898 1.00 0.00 C ATOM 902 CE LYS A 63 -0.419 -17.659 -4.759 1.00 0.00 C ATOM 903 NZ LYS A 63 -1.594 -18.064 -3.940 1.00 0.00 N ATOM 0 H LYS A 63 0.318 -12.568 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.339 -14.976 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.937 -13.850 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.182 -15.072 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.142 -15.687 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.213 -15.606 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.566 -17.839 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.413 -17.123 -2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.718 -16.882 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.078 -18.510 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.352 -18.406 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.316 -18.823 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.937 -17.246 -3.396 1.00 0.00 H new ATOM 917 N ALA A 64 -2.944 -13.101 -4.419 1.00 0.00 N ATOM 918 CA ALA A 64 -3.959 -12.283 -3.775 1.00 0.00 C ATOM 919 C ALA A 64 -4.232 -12.782 -2.356 1.00 0.00 C ATOM 920 O ALA A 64 -5.047 -13.683 -2.156 1.00 0.00 O ATOM 921 CB ALA A 64 -5.242 -12.287 -4.595 1.00 0.00 C ATOM 0 H ALA A 64 -3.254 -13.562 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.588 -11.260 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.992 -11.670 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.040 -11.886 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.613 -13.308 -4.685 1.00 0.00 H new ATOM 927 N GLY A 65 -3.546 -12.202 -1.375 1.00 0.00 N ATOM 928 CA GLY A 65 -3.735 -12.613 0.006 1.00 0.00 C ATOM 929 C GLY A 65 -2.567 -13.423 0.538 1.00 0.00 C ATOM 930 O GLY A 65 -2.757 -14.384 1.284 1.00 0.00 O ATOM 0 H GLY A 65 -2.864 -11.456 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.873 -11.729 0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.648 -13.204 0.084 1.00 0.00 H new ATOM 934 N GLU A 66 -1.357 -13.040 0.144 1.00 0.00 N ATOM 935 CA GLU A 66 -0.150 -13.742 0.571 1.00 0.00 C ATOM 936 C GLU A 66 0.533 -13.046 1.746 1.00 0.00 C ATOM 937 O GLU A 66 0.229 -11.900 2.069 1.00 0.00 O ATOM 938 CB GLU A 66 0.832 -13.843 -0.597 1.00 0.00 C ATOM 939 CG GLU A 66 1.511 -15.197 -0.711 1.00 0.00 C ATOM 940 CD GLU A 66 2.857 -15.117 -1.404 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.131 -14.084 -2.052 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.638 -16.086 -1.299 1.00 0.00 O ATOM 0 H GLU A 66 -1.185 -12.245 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.450 -14.737 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.301 -13.634 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.595 -13.072 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.644 -15.618 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.863 -15.879 -1.261 1.00 0.00 H new ATOM 949 N GLU A 67 1.479 -13.755 2.357 1.00 0.00 N ATOM 950 CA GLU A 67 2.255 -13.232 3.478 1.00 0.00 C ATOM 951 C GLU A 67 3.729 -13.578 3.280 1.00 0.00 C ATOM 952 O GLU A 67 4.137 -14.721 3.486 1.00 0.00 O ATOM 953 CB GLU A 67 1.744 -13.807 4.802 1.00 0.00 C ATOM 954 CG GLU A 67 1.506 -15.309 4.764 1.00 0.00 C ATOM 955 CD GLU A 67 0.539 -15.775 5.835 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.989 -16.015 6.975 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.666 -15.899 5.534 1.00 0.00 O ATOM 0 H GLU A 67 1.729 -14.707 2.089 1.00 0.00 H new ATOM 0 HA GLU A 67 2.142 -12.149 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.465 -13.582 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.813 -13.307 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.118 -15.587 3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.457 -15.827 4.889 1.00 0.00 H new ATOM 964 N PHE A 68 4.518 -12.601 2.843 1.00 0.00 N ATOM 965 CA PHE A 68 5.938 -12.826 2.573 1.00 0.00 C ATOM 966 C PHE A 68 6.803 -11.691 3.109 1.00 0.00 C ATOM 967 O PHE A 68 6.303 -10.630 3.473 1.00 0.00 O ATOM 968 CB PHE A 68 6.158 -12.962 1.075 1.00 0.00 C ATOM 969 CG PHE A 68 5.544 -11.832 0.324 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.215 -10.633 0.196 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.284 -11.959 -0.224 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.639 -9.575 -0.475 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.701 -10.909 -0.892 1.00 0.00 C ATOM 974 CZ PHE A 68 4.377 -9.712 -1.020 1.00 0.00 C ATOM 0 H PHE A 68 4.201 -11.647 2.668 1.00 0.00 H new ATOM 0 HA PHE A 68 6.231 -13.744 3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.227 -13.000 0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.732 -13.904 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.200 -10.522 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.751 -12.893 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.173 -8.642 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.714 -11.020 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.921 -8.885 -1.544 1.00 0.00 H new ATOM 984 N THR A 69 8.109 -11.919 3.144 1.00 0.00 N ATOM 985 CA THR A 69 9.049 -10.914 3.620 1.00 0.00 C ATOM 986 C THR A 69 10.115 -10.639 2.566 1.00 0.00 C ATOM 987 O THR A 69 10.804 -11.557 2.122 1.00 0.00 O ATOM 988 CB THR A 69 9.708 -11.381 4.918 1.00 0.00 C ATOM 989 OG1 THR A 69 8.731 -11.750 5.874 1.00 0.00 O ATOM 990 CG2 THR A 69 10.597 -10.333 5.552 1.00 0.00 C ATOM 0 H THR A 69 8.542 -12.794 2.848 1.00 0.00 H new ATOM 0 HA THR A 69 8.500 -9.992 3.812 1.00 0.00 H new ATOM 0 HB THR A 69 10.325 -12.234 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.174 -12.047 6.696 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.032 -10.731 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.394 -10.064 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.006 -9.448 5.786 1.00 0.00 H new ATOM 998 N ILE A 70 10.259 -9.374 2.168 1.00 0.00 N ATOM 999 CA ILE A 70 11.260 -9.020 1.170 1.00 0.00 C ATOM 1000 C ILE A 70 12.072 -7.822 1.622 1.00 0.00 C ATOM 1001 O ILE A 70 11.677 -7.100 2.537 1.00 0.00 O ATOM 1002 CB ILE A 70 10.630 -8.721 -0.211 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.835 -7.410 -0.183 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.744 -9.874 -0.657 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.601 -7.466 0.686 1.00 0.00 C ATOM 0 H ILE A 70 9.704 -8.592 2.516 1.00 0.00 H new ATOM 0 HA ILE A 70 11.913 -9.886 1.064 1.00 0.00 H new ATOM 0 HB ILE A 70 11.440 -8.608 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.484 -6.610 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.541 -7.152 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.310 -9.644 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.340 -10.783 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.946 -10.022 0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.091 -6.503 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.931 -8.243 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.889 -7.692 1.713 1.00 0.00 H new ATOM 1017 N ASP A 71 13.185 -7.591 0.950 1.00 0.00 N ATOM 1018 CA ASP A 71 14.027 -6.449 1.251 1.00 0.00 C ATOM 1019 C ASP A 71 13.649 -5.312 0.321 1.00 0.00 C ATOM 1020 O ASP A 71 13.203 -5.553 -0.798 1.00 0.00 O ATOM 1021 CB ASP A 71 15.504 -6.811 1.082 1.00 0.00 C ATOM 1022 CG ASP A 71 16.283 -6.694 2.378 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.353 -7.695 3.120 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.823 -5.602 2.650 1.00 0.00 O ATOM 0 H ASP A 71 13.527 -8.180 0.191 1.00 0.00 H new ATOM 0 HA ASP A 71 13.876 -6.144 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.584 -7.830 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.951 -6.158 0.333 1.00 0.00 H new ATOM 1029 N VAL A 72 13.839 -4.078 0.757 1.00 0.00 N ATOM 1030 CA VAL A 72 13.520 -2.932 -0.089 1.00 0.00 C ATOM 1031 C VAL A 72 14.487 -1.788 0.164 1.00 0.00 C ATOM 1032 O VAL A 72 14.768 -1.444 1.310 1.00 0.00 O ATOM 1033 CB VAL A 72 12.082 -2.425 0.130 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.096 -3.210 -0.722 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.704 -2.496 1.597 1.00 0.00 C ATOM 0 H VAL A 72 14.207 -3.842 1.678 1.00 0.00 H new ATOM 0 HA VAL A 72 13.611 -3.277 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 72 12.040 -1.381 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.087 -2.834 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.352 -3.094 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.141 -4.265 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.685 -2.133 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.768 -3.529 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.387 -1.877 2.179 1.00 0.00 H new ATOM 1045 N THR A 73 14.988 -1.188 -0.904 1.00 0.00 N ATOM 1046 CA THR A 73 15.911 -0.074 -0.795 1.00 0.00 C ATOM 1047 C THR A 73 15.776 0.803 -2.030 1.00 0.00 C ATOM 1048 O THR A 73 15.934 0.328 -3.156 1.00 0.00 O ATOM 1049 CB THR A 73 17.347 -0.585 -0.662 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.527 -1.294 0.555 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.385 0.517 -0.708 1.00 0.00 C ATOM 0 H THR A 73 14.768 -1.458 -1.863 1.00 0.00 H new ATOM 0 HA THR A 73 15.674 0.510 0.094 1.00 0.00 H new ATOM 0 HB THR A 73 17.494 -1.239 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.452 -1.611 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.380 0.084 -0.608 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.313 1.045 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.210 1.216 0.110 1.00 0.00 H new ATOM 1059 N PHE A 74 15.457 2.072 -1.826 1.00 0.00 N ATOM 1060 CA PHE A 74 15.276 2.990 -2.938 1.00 0.00 C ATOM 1061 C PHE A 74 16.603 3.590 -3.403 1.00 0.00 C ATOM 1062 O PHE A 74 17.370 4.121 -2.601 1.00 0.00 O ATOM 1063 CB PHE A 74 14.284 4.077 -2.540 1.00 0.00 C ATOM 1064 CG PHE A 74 12.885 3.547 -2.414 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.576 2.571 -1.474 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.886 4.006 -3.250 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.289 2.071 -1.376 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.599 3.514 -3.155 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.299 2.545 -2.218 1.00 0.00 C ATOM 0 H PHE A 74 15.319 2.487 -0.905 1.00 0.00 H new ATOM 0 HA PHE A 74 14.875 2.434 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.591 4.517 -1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.303 4.874 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.346 2.200 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.114 4.760 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.058 1.312 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.828 3.887 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.294 2.158 -2.143 1.00 0.00 H new ATOM 1079 N PRO A 75 16.897 3.499 -4.718 1.00 0.00 N ATOM 1080 CA PRO A 75 18.143 4.020 -5.293 1.00 0.00 C ATOM 1081 C PRO A 75 18.232 5.542 -5.264 1.00 0.00 C ATOM 1082 O PRO A 75 17.343 6.221 -4.748 1.00 0.00 O ATOM 1083 CB PRO A 75 18.106 3.526 -6.741 1.00 0.00 C ATOM 1084 CG PRO A 75 16.662 3.313 -7.033 1.00 0.00 C ATOM 1085 CD PRO A 75 16.042 2.867 -5.742 1.00 0.00 C ATOM 0 HA PRO A 75 19.008 3.680 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.543 4.258 -7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.674 2.603 -6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.197 4.231 -7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.528 2.561 -7.811 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.006 3.195 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.041 1.781 -5.650 1.00 0.00 H new ATOM 1093 N GLU A 76 19.318 6.066 -5.828 1.00 0.00 N ATOM 1094 CA GLU A 76 19.549 7.506 -5.880 1.00 0.00 C ATOM 1095 C GLU A 76 18.696 8.174 -6.960 1.00 0.00 C ATOM 1096 O GLU A 76 18.590 9.401 -7.002 1.00 0.00 O ATOM 1097 CB GLU A 76 21.030 7.793 -6.135 1.00 0.00 C ATOM 1098 CG GLU A 76 21.539 7.238 -7.457 1.00 0.00 C ATOM 1099 CD GLU A 76 22.221 5.893 -7.302 1.00 0.00 C ATOM 1100 OE1 GLU A 76 21.518 4.862 -7.343 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.460 5.871 -7.138 1.00 0.00 O ATOM 0 H GLU A 76 20.056 5.509 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 76 19.259 7.924 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.191 8.871 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.619 7.369 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.704 7.140 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.239 7.947 -7.899 1.00 0.00 H new ATOM 1108 N GLU A 77 18.097 7.371 -7.833 1.00 0.00 N ATOM 1109 CA GLU A 77 17.264 7.903 -8.909 1.00 0.00 C ATOM 1110 C GLU A 77 15.827 8.108 -8.438 1.00 0.00 C ATOM 1111 O GLU A 77 15.152 9.044 -8.868 1.00 0.00 O ATOM 1112 CB GLU A 77 17.295 6.970 -10.122 1.00 0.00 C ATOM 1113 CG GLU A 77 16.949 5.527 -9.797 1.00 0.00 C ATOM 1114 CD GLU A 77 17.983 4.545 -10.314 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.446 4.722 -11.461 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.329 3.601 -9.574 1.00 0.00 O ATOM 0 H GLU A 77 18.171 6.354 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 77 17.669 8.872 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.596 7.341 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.289 7.003 -10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.856 5.415 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.977 5.285 -10.228 1.00 0.00 H new ATOM 1123 N TYR A 78 15.364 7.234 -7.550 1.00 0.00 N ATOM 1124 CA TYR A 78 14.008 7.328 -7.016 1.00 0.00 C ATOM 1125 C TYR A 78 13.857 8.586 -6.168 1.00 0.00 C ATOM 1126 O TYR A 78 13.179 9.537 -6.557 1.00 0.00 O ATOM 1127 CB TYR A 78 13.685 6.089 -6.176 1.00 0.00 C ATOM 1128 CG TYR A 78 12.213 5.747 -6.129 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.319 6.505 -5.381 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.722 4.656 -6.830 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.976 6.182 -5.338 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.382 4.327 -6.794 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.513 5.093 -6.048 1.00 0.00 C ATOM 1134 OH TYR A 78 8.175 4.769 -6.007 1.00 0.00 O ATOM 0 H TYR A 78 15.907 6.452 -7.184 1.00 0.00 H new ATOM 0 HA TYR A 78 13.309 7.383 -7.851 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.233 5.237 -6.578 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.044 6.248 -5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.679 7.358 -4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.400 4.053 -7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.293 6.779 -4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.017 3.474 -7.347 1.00 0.00 H new ATOM 0 HH TYR A 78 8.013 3.977 -6.561 1.00 0.00 H new ATOM 1144 N HIS A 79 14.512 8.577 -5.010 1.00 0.00 N ATOM 1145 CA HIS A 79 14.494 9.698 -4.075 1.00 0.00 C ATOM 1146 C HIS A 79 13.151 10.437 -4.049 1.00 0.00 C ATOM 1147 O HIS A 79 13.042 11.562 -4.537 1.00 0.00 O ATOM 1148 CB HIS A 79 15.626 10.667 -4.407 1.00 0.00 C ATOM 1149 CG HIS A 79 16.956 10.194 -3.909 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.072 11.000 -3.852 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.342 8.985 -3.431 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.088 10.311 -3.364 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.671 9.086 -3.098 1.00 0.00 N ATOM 0 H HIS A 79 15.073 7.787 -4.692 1.00 0.00 H new ATOM 0 HA HIS A 79 14.639 9.284 -3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.675 10.805 -5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.405 11.641 -3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.721 8.107 -3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.089 10.685 -3.209 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.243 8.337 -2.709 1.00 0.00 H new ATOM 1161 N ALA A 80 12.135 9.803 -3.464 1.00 0.00 N ATOM 1162 CA ALA A 80 10.812 10.411 -3.361 1.00 0.00 C ATOM 1163 C ALA A 80 10.715 11.301 -2.121 1.00 0.00 C ATOM 1164 O ALA A 80 11.230 10.967 -1.058 1.00 0.00 O ATOM 1165 CB ALA A 80 9.735 9.337 -3.336 1.00 0.00 C ATOM 0 H ALA A 80 12.204 8.871 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 80 10.655 11.038 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.754 9.807 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.785 8.750 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.893 8.684 -2.478 1.00 0.00 H new ATOM 1171 N GLU A 81 10.063 12.444 -2.275 1.00 0.00 N ATOM 1172 CA GLU A 81 9.908 13.410 -1.187 1.00 0.00 C ATOM 1173 C GLU A 81 9.518 12.766 0.149 1.00 0.00 C ATOM 1174 O GLU A 81 9.779 13.337 1.208 1.00 0.00 O ATOM 1175 CB GLU A 81 8.854 14.450 -1.569 1.00 0.00 C ATOM 1176 CG GLU A 81 9.091 15.814 -0.942 1.00 0.00 C ATOM 1177 CD GLU A 81 7.810 16.611 -0.785 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.968 16.221 0.052 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.648 17.624 -1.497 1.00 0.00 O ATOM 0 H GLU A 81 9.627 12.731 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 81 10.883 13.876 -1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.836 14.556 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.871 14.087 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.557 15.685 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.792 16.377 -1.558 1.00 0.00 H new ATOM 1186 N ASN A 82 8.862 11.609 0.110 1.00 0.00 N ATOM 1187 CA ASN A 82 8.418 10.960 1.347 1.00 0.00 C ATOM 1188 C ASN A 82 9.391 9.902 1.879 1.00 0.00 C ATOM 1189 O ASN A 82 9.562 9.781 3.092 1.00 0.00 O ATOM 1190 CB ASN A 82 7.030 10.347 1.155 1.00 0.00 C ATOM 1191 CG ASN A 82 6.986 9.329 0.035 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.450 9.594 -1.041 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.550 8.156 0.283 1.00 0.00 N ATOM 0 H ASN A 82 8.628 11.107 -0.746 1.00 0.00 H new ATOM 0 HA ASN A 82 8.381 11.746 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.717 9.871 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.313 11.141 0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.551 7.429 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.983 7.980 1.190 1.00 0.00 H new ATOM 1200 N LEU A 83 10.008 9.116 0.998 1.00 0.00 N ATOM 1201 CA LEU A 83 10.926 8.065 1.455 1.00 0.00 C ATOM 1202 C LEU A 83 12.229 8.027 0.659 1.00 0.00 C ATOM 1203 O LEU A 83 12.968 7.048 0.715 1.00 0.00 O ATOM 1204 CB LEU A 83 10.229 6.696 1.407 1.00 0.00 C ATOM 1205 CG LEU A 83 10.170 5.979 0.044 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.137 6.945 -1.133 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.337 5.029 -0.108 1.00 0.00 C ATOM 0 H LEU A 83 9.896 9.180 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 83 11.195 8.303 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.733 6.036 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.207 6.825 1.764 1.00 0.00 H new ATOM 0 HG LEU A 83 9.235 5.420 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.096 6.382 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.257 7.583 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.035 7.563 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.278 4.532 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.271 5.587 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.304 4.282 0.685 1.00 0.00 H new ATOM 1219 N LYS A 84 12.500 9.087 -0.083 1.00 0.00 N ATOM 1220 CA LYS A 84 13.708 9.181 -0.908 1.00 0.00 C ATOM 1221 C LYS A 84 14.905 8.421 -0.321 1.00 0.00 C ATOM 1222 O LYS A 84 15.345 8.687 0.797 1.00 0.00 O ATOM 1223 CB LYS A 84 14.088 10.645 -1.138 1.00 0.00 C ATOM 1224 CG LYS A 84 14.442 11.400 0.134 1.00 0.00 C ATOM 1225 CD LYS A 84 15.742 12.170 -0.028 1.00 0.00 C ATOM 1226 CE LYS A 84 16.517 12.246 1.276 1.00 0.00 C ATOM 1227 NZ LYS A 84 17.536 13.330 1.252 1.00 0.00 N ATOM 0 H LYS A 84 11.896 9.907 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 84 13.464 8.706 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.937 10.686 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.258 11.152 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.637 12.090 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.533 10.698 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.357 11.690 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.526 13.178 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.825 12.416 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.007 11.291 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.044 13.349 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.212 13.154 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.066 14.245 1.099 1.00 0.00 H new ATOM 1241 N GLY A 85 15.431 7.484 -1.111 1.00 0.00 N ATOM 1242 CA GLY A 85 16.585 6.698 -0.699 1.00 0.00 C ATOM 1243 C GLY A 85 16.416 6.021 0.648 1.00 0.00 C ATOM 1244 O GLY A 85 17.276 6.148 1.519 1.00 0.00 O ATOM 0 H GLY A 85 15.074 7.254 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.784 5.938 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.460 7.347 -0.662 1.00 0.00 H new ATOM 1248 N LYS A 86 15.321 5.290 0.824 1.00 0.00 N ATOM 1249 CA LYS A 86 15.074 4.589 2.080 1.00 0.00 C ATOM 1250 C LYS A 86 15.458 3.114 1.980 1.00 0.00 C ATOM 1251 O LYS A 86 14.638 2.277 1.601 1.00 0.00 O ATOM 1252 CB LYS A 86 13.605 4.720 2.491 1.00 0.00 C ATOM 1253 CG LYS A 86 13.414 5.266 3.900 1.00 0.00 C ATOM 1254 CD LYS A 86 12.914 6.700 3.889 1.00 0.00 C ATOM 1255 CE LYS A 86 13.966 7.659 3.358 1.00 0.00 C ATOM 1256 NZ LYS A 86 14.960 8.022 4.404 1.00 0.00 N ATOM 0 H LYS A 86 14.594 5.167 0.119 1.00 0.00 H new ATOM 0 HA LYS A 86 15.699 5.053 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.095 5.375 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.128 3.742 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.705 4.638 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.359 5.215 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.017 6.768 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.631 6.994 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.479 7.203 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.481 8.562 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.661 8.677 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.474 8.480 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.441 7.163 4.739 1.00 0.00 H new ATOM 1270 N ALA A 87 16.698 2.796 2.337 1.00 0.00 N ATOM 1271 CA ALA A 87 17.169 1.415 2.303 1.00 0.00 C ATOM 1272 C ALA A 87 16.704 0.682 3.554 1.00 0.00 C ATOM 1273 O ALA A 87 17.351 0.757 4.597 1.00 0.00 O ATOM 1274 CB ALA A 87 18.686 1.371 2.191 1.00 0.00 C ATOM 0 H ALA A 87 17.393 3.473 2.652 1.00 0.00 H new ATOM 0 HA ALA A 87 16.750 0.920 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.019 0.333 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.998 1.874 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.129 1.875 3.050 1.00 0.00 H new ATOM 1280 N ALA A 88 15.561 0.004 3.465 1.00 0.00 N ATOM 1281 CA ALA A 88 15.009 -0.693 4.622 1.00 0.00 C ATOM 1282 C ALA A 88 14.640 -2.147 4.341 1.00 0.00 C ATOM 1283 O ALA A 88 14.894 -2.685 3.266 1.00 0.00 O ATOM 1284 CB ALA A 88 13.793 0.068 5.140 1.00 0.00 C ATOM 0 H ALA A 88 15.005 -0.077 2.613 1.00 0.00 H new ATOM 0 HA ALA A 88 15.793 -0.721 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.380 -0.452 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.091 1.075 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.038 0.125 4.356 1.00 0.00 H new ATOM 1290 N LYS A 89 14.023 -2.757 5.344 1.00 0.00 N ATOM 1291 CA LYS A 89 13.571 -4.140 5.275 1.00 0.00 C ATOM 1292 C LYS A 89 12.089 -4.176 5.606 1.00 0.00 C ATOM 1293 O LYS A 89 11.655 -3.511 6.545 1.00 0.00 O ATOM 1294 CB LYS A 89 14.371 -5.006 6.255 1.00 0.00 C ATOM 1295 CG LYS A 89 13.769 -6.380 6.507 1.00 0.00 C ATOM 1296 CD LYS A 89 14.471 -7.090 7.655 1.00 0.00 C ATOM 1297 CE LYS A 89 14.343 -6.311 8.957 1.00 0.00 C ATOM 1298 NZ LYS A 89 13.719 -7.129 10.034 1.00 0.00 N ATOM 0 H LYS A 89 13.821 -2.303 6.235 1.00 0.00 H new ATOM 0 HA LYS A 89 13.730 -4.540 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.383 -5.130 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.454 -4.478 7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.708 -6.278 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.845 -6.984 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.046 -8.085 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.525 -7.222 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.330 -5.978 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.744 -5.416 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.650 -6.563 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.767 -7.426 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.304 -7.970 10.214 1.00 0.00 H new ATOM 1312 N PHE A 90 11.318 -4.978 4.878 1.00 0.00 N ATOM 1313 CA PHE A 90 9.882 -5.104 5.153 1.00 0.00 C ATOM 1314 C PHE A 90 9.415 -6.548 5.095 1.00 0.00 C ATOM 1315 O PHE A 90 9.987 -7.367 4.377 1.00 0.00 O ATOM 1316 CB PHE A 90 9.015 -4.379 4.118 1.00 0.00 C ATOM 1317 CG PHE A 90 9.255 -2.920 3.905 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.012 -2.155 4.771 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.679 -2.314 2.810 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.196 -0.804 4.539 1.00 0.00 C ATOM 1321 CE2 PHE A 90 8.852 -0.967 2.571 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.613 -0.212 3.434 1.00 0.00 C ATOM 0 H PHE A 90 11.654 -5.546 4.101 1.00 0.00 H new ATOM 0 HA PHE A 90 9.766 -4.672 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.146 -4.883 3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.972 -4.508 4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.464 -2.616 5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.083 -2.903 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.793 -0.214 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.392 -0.506 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.755 0.842 3.248 1.00 0.00 H new ATOM 1332 N ALA A 91 8.312 -6.830 5.783 1.00 0.00 N ATOM 1333 CA ALA A 91 7.688 -8.138 5.749 1.00 0.00 C ATOM 1334 C ALA A 91 6.249 -7.874 5.329 1.00 0.00 C ATOM 1335 O ALA A 91 5.459 -7.311 6.086 1.00 0.00 O ATOM 1336 CB ALA A 91 7.758 -8.820 7.108 1.00 0.00 C ATOM 0 H ALA A 91 7.830 -6.155 6.377 1.00 0.00 H new ATOM 0 HA ALA A 91 8.193 -8.814 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.281 -9.799 7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.801 -8.941 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.242 -8.209 7.849 1.00 0.00 H new ATOM 1342 N ILE A 92 5.959 -8.170 4.067 1.00 0.00 N ATOM 1343 CA ILE A 92 4.664 -7.845 3.480 1.00 0.00 C ATOM 1344 C ILE A 92 3.678 -9.006 3.348 1.00 0.00 C ATOM 1345 O ILE A 92 4.039 -10.178 3.408 1.00 0.00 O ATOM 1346 CB ILE A 92 4.890 -7.253 2.072 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.002 -6.196 2.113 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.600 -6.687 1.511 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.020 -5.255 0.928 1.00 0.00 C ATOM 0 H ILE A 92 6.605 -8.636 3.429 1.00 0.00 H new ATOM 0 HA ILE A 92 4.208 -7.143 4.178 1.00 0.00 H new ATOM 0 HB ILE A 92 5.211 -8.051 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.894 -5.609 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 92 6.965 -6.703 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.784 -6.276 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.854 -7.479 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.233 -5.899 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.837 -4.543 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.162 -5.827 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.074 -4.716 0.877 1.00 0.00 H new ATOM 1361 N ASN A 93 2.417 -8.628 3.124 1.00 0.00 N ATOM 1362 CA ASN A 93 1.322 -9.566 2.922 1.00 0.00 C ATOM 1363 C ASN A 93 0.464 -9.103 1.739 1.00 0.00 C ATOM 1364 O ASN A 93 -0.294 -8.139 1.855 1.00 0.00 O ATOM 1365 CB ASN A 93 0.460 -9.663 4.182 1.00 0.00 C ATOM 1366 CG ASN A 93 1.126 -10.461 5.284 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.320 -10.752 5.222 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.353 -10.819 6.304 1.00 0.00 N ATOM 0 H ASN A 93 2.130 -7.650 3.078 1.00 0.00 H new ATOM 0 HA ASN A 93 1.736 -10.551 2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.242 -8.659 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.494 -10.125 3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.745 -11.357 7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.632 -10.556 6.314 1.00 0.00 H new ATOM 1375 N LEU A 94 0.601 -9.773 0.595 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.152 -9.402 -0.609 1.00 0.00 C ATOM 1377 C LEU A 94 -1.648 -9.609 -0.428 1.00 0.00 C ATOM 1378 O LEU A 94 -2.080 -10.460 0.348 1.00 0.00 O ATOM 1379 CB LEU A 94 0.336 -10.206 -1.814 1.00 0.00 C ATOM 1380 CG LEU A 94 0.003 -9.606 -3.181 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.686 -8.260 -3.360 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.418 -10.558 -4.289 1.00 0.00 C ATOM 0 H LEU A 94 1.223 -10.572 0.474 1.00 0.00 H new ATOM 0 HA LEU A 94 0.023 -8.341 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.417 -10.320 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.094 -11.206 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.075 -9.453 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.435 -7.852 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.347 -7.574 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.766 -8.387 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.175 -10.118 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.492 -10.738 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.114 -11.502 -4.176 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.441 -8.824 -1.160 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.890 -8.923 -1.090 1.00 0.00 C ATOM 1396 C LYS A 95 -4.526 -8.603 -2.451 1.00 0.00 C ATOM 1397 O LYS A 95 -4.476 -9.417 -3.371 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.448 -7.998 0.005 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.973 -8.337 1.410 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.830 -9.424 2.040 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.615 -9.498 3.543 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.654 -8.736 4.289 1.00 0.00 N ATOM 0 H LYS A 95 -2.098 -8.114 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.147 -9.950 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.165 -6.971 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.537 -8.041 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.934 -8.666 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.003 -7.442 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.882 -9.228 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.589 -10.387 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.630 -10.540 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.629 -9.104 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.473 -8.811 5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.623 -7.736 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.593 -9.128 4.074 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.166 -7.442 -2.562 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.847 -7.074 -3.794 1.00 0.00 C ATOM 1418 C LYS A 96 -4.885 -6.670 -4.905 1.00 0.00 C ATOM 1419 O LYS A 96 -4.373 -5.551 -4.927 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.829 -5.932 -3.526 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.135 -6.058 -4.299 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.341 -5.933 -3.381 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.439 -7.110 -2.424 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.264 -8.215 -2.986 1.00 0.00 N ATOM 0 H LYS A 96 -5.226 -6.746 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.381 -7.960 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.050 -5.896 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.353 -4.986 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.180 -5.286 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.164 -7.020 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.272 -5.006 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.250 -5.873 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.439 -7.481 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.873 -6.776 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.306 -8.998 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.226 -7.868 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.837 -8.551 -3.873 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.680 -7.582 -5.852 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.827 -7.335 -7.005 1.00 0.00 C ATOM 1440 C VAL A 97 -4.693 -7.272 -8.265 1.00 0.00 C ATOM 1441 O VAL A 97 -5.200 -8.296 -8.725 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.761 -8.445 -7.162 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.389 -9.828 -7.008 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.040 -8.327 -8.502 1.00 0.00 C ATOM 0 H VAL A 97 -5.101 -8.511 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.309 -6.388 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.024 -8.315 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.620 -10.592 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.842 -9.914 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.155 -9.967 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.296 -9.119 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.762 -8.420 -9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.546 -7.357 -8.565 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.887 -6.071 -8.804 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.725 -5.898 -9.991 1.00 0.00 C ATOM 1456 C GLU A 98 -4.970 -5.210 -11.130 1.00 0.00 C ATOM 1457 O GLU A 98 -3.762 -5.007 -11.047 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.975 -5.103 -9.616 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.764 -5.727 -8.473 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.397 -4.695 -7.560 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.647 -3.941 -6.906 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.644 -4.641 -7.501 1.00 0.00 O ATOM 0 H GLU A 98 -4.480 -5.209 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.013 -6.885 -10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.683 -4.091 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.620 -5.019 -10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.544 -6.368 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.102 -6.365 -7.888 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.690 -4.873 -12.204 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.083 -4.230 -13.374 1.00 0.00 C ATOM 1471 C GLU A 99 -5.510 -2.774 -13.513 1.00 0.00 C ATOM 1472 O GLU A 99 -6.473 -2.462 -14.208 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.454 -5.000 -14.644 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.450 -4.835 -15.775 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.797 -3.685 -16.698 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.952 -3.627 -17.168 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -3.911 -2.841 -16.953 1.00 0.00 O ATOM 0 H GLU A 99 -6.694 -5.035 -12.288 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.002 -4.246 -13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.545 -6.059 -14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.433 -4.666 -14.988 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.458 -4.672 -15.354 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.404 -5.758 -16.352 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.767 -1.884 -12.862 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.056 -0.454 -12.919 1.00 0.00 C ATOM 1486 C ARG A 100 -4.634 0.148 -14.256 1.00 0.00 C ATOM 1487 O ARG A 100 -3.843 -0.439 -14.994 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.333 0.271 -11.785 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.819 0.182 -11.884 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.146 1.459 -11.407 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.458 2.150 -12.493 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.671 3.420 -12.827 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -2.554 4.157 -12.161 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -0.997 3.959 -13.832 1.00 0.00 N ATOM 0 H ARG A 100 -3.960 -2.128 -12.288 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.133 -0.329 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.629 1.320 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.653 -0.149 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.465 -0.660 -11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.533 -0.015 -12.917 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.893 2.122 -10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.432 1.220 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.769 1.625 -13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.076 3.750 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.709 5.130 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.317 3.401 -14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.158 4.932 -14.090 1.00 0.00 H new