USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 653 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 18 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0214 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000973) USER MOD Single : A 74 ASN : amide:sc= -1.84 K(o=-1.8,f=-0.53) USER MOD Single : A 79 GLN : amide:sc= -0.0482 X(o=-0.048,f=-0.38) USER MOD Single : A 83 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.36) USER MOD Single : A 84 HIS : no HD1:sc= -4.96! K(o=-5!,f=-4) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.405! USER MOD Single : A 98 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.1) USER MOD Single : A 99 MET CE :methyl 170:sc= -8.33! (180deg=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.101 -6.388 -16.439 1.00 0.00 N ATOM 149 CA GLU A 13 -7.163 -6.719 -15.379 1.00 0.00 C ATOM 150 C GLU A 13 -6.378 -5.475 -14.958 1.00 0.00 C ATOM 151 O GLU A 13 -5.921 -4.709 -15.805 1.00 0.00 O ATOM 152 CB GLU A 13 -6.220 -7.842 -15.813 1.00 0.00 C ATOM 153 CG GLU A 13 -5.287 -7.373 -16.932 1.00 0.00 C ATOM 154 CD GLU A 13 -4.367 -8.507 -17.390 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.639 -9.033 -16.521 1.00 0.00 O ATOM 156 OE2 GLU A 13 -4.413 -8.822 -18.599 1.00 0.00 O ATOM 0 HA GLU A 13 -7.728 -7.076 -14.518 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.630 -8.177 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.801 -8.698 -16.154 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.877 -7.015 -17.776 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.688 -6.532 -16.582 1.00 0.00 H new ATOM 163 N GLU A 14 -6.245 -5.313 -13.650 1.00 0.00 N ATOM 164 CA GLU A 14 -5.523 -4.175 -13.107 1.00 0.00 C ATOM 165 C GLU A 14 -4.301 -3.860 -13.972 1.00 0.00 C ATOM 166 O GLU A 14 -3.750 -4.747 -14.622 1.00 0.00 O ATOM 167 CB GLU A 14 -5.116 -4.427 -11.654 1.00 0.00 C ATOM 168 CG GLU A 14 -6.215 -3.976 -10.690 1.00 0.00 C ATOM 169 CD GLU A 14 -7.060 -5.165 -10.227 1.00 0.00 C ATOM 170 OE1 GLU A 14 -7.629 -5.837 -11.114 1.00 0.00 O ATOM 171 OE2 GLU A 14 -7.116 -5.376 -8.996 1.00 0.00 O ATOM 0 H GLU A 14 -6.625 -5.951 -12.950 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.185 -3.309 -13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.913 -5.488 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.192 -3.892 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.767 -3.485 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.853 -3.240 -11.179 1.00 0.00 H new ATOM 178 N GLU A 15 -3.912 -2.593 -13.951 1.00 0.00 N ATOM 179 CA GLU A 15 -2.765 -2.150 -14.725 1.00 0.00 C ATOM 180 C GLU A 15 -1.679 -1.600 -13.798 1.00 0.00 C ATOM 181 O GLU A 15 -1.951 -1.268 -12.645 1.00 0.00 O ATOM 182 CB GLU A 15 -3.176 -1.107 -15.767 1.00 0.00 C ATOM 183 CG GLU A 15 -3.385 0.263 -15.118 1.00 0.00 C ATOM 184 CD GLU A 15 -3.326 1.379 -16.164 1.00 0.00 C ATOM 185 OE1 GLU A 15 -2.324 1.404 -16.911 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.284 2.181 -16.192 1.00 0.00 O ATOM 0 H GLU A 15 -4.371 -1.860 -13.410 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.359 -3.009 -15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.408 -1.035 -16.537 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.095 -1.423 -16.261 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.349 0.286 -14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.621 0.430 -14.359 1.00 0.00 H new ATOM 193 N GLU A 16 -0.471 -1.520 -14.336 1.00 0.00 N ATOM 194 CA GLU A 16 0.657 -1.016 -13.572 1.00 0.00 C ATOM 195 C GLU A 16 0.673 0.514 -13.595 1.00 0.00 C ATOM 196 O GLU A 16 0.454 1.125 -14.640 1.00 0.00 O ATOM 197 CB GLU A 16 1.976 -1.586 -14.099 1.00 0.00 C ATOM 198 CG GLU A 16 2.231 -2.986 -13.537 1.00 0.00 C ATOM 199 CD GLU A 16 2.631 -3.958 -14.650 1.00 0.00 C ATOM 200 OE1 GLU A 16 3.620 -3.646 -15.347 1.00 0.00 O ATOM 201 OE2 GLU A 16 1.938 -4.990 -14.777 1.00 0.00 O ATOM 0 H GLU A 16 -0.249 -1.796 -15.292 1.00 0.00 H new ATOM 0 HA GLU A 16 0.545 -1.343 -12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.950 -1.626 -15.188 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.798 -0.925 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.020 -2.942 -12.786 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.334 -3.350 -13.036 1.00 0.00 H new ATOM 208 N LEU A 17 0.933 1.089 -12.429 1.00 0.00 N ATOM 209 CA LEU A 17 0.980 2.536 -12.303 1.00 0.00 C ATOM 210 C LEU A 17 2.242 2.935 -11.536 1.00 0.00 C ATOM 211 O LEU A 17 2.867 2.101 -10.884 1.00 0.00 O ATOM 212 CB LEU A 17 -0.313 3.061 -11.675 1.00 0.00 C ATOM 213 CG LEU A 17 -1.589 2.290 -12.022 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.673 2.522 -10.969 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.074 2.639 -13.431 1.00 0.00 C ATOM 0 H LEU A 17 1.113 0.579 -11.564 1.00 0.00 H new ATOM 0 HA LEU A 17 1.042 3.003 -13.286 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.194 3.059 -10.591 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.446 4.099 -11.979 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.357 1.225 -12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.569 1.963 -11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.314 2.184 -9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.910 3.585 -10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.982 2.078 -13.653 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.284 3.707 -13.489 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.302 2.381 -14.156 1.00 0.00 H new ATOM 227 N THR A 18 2.579 4.212 -11.640 1.00 0.00 N ATOM 228 CA THR A 18 3.756 4.733 -10.965 1.00 0.00 C ATOM 229 C THR A 18 3.430 6.057 -10.270 1.00 0.00 C ATOM 230 O THR A 18 3.293 7.089 -10.925 1.00 0.00 O ATOM 231 CB THR A 18 4.880 4.849 -11.995 1.00 0.00 C ATOM 232 OG1 THR A 18 4.712 3.701 -12.823 1.00 0.00 O ATOM 233 CG2 THR A 18 6.266 4.661 -11.374 1.00 0.00 C ATOM 0 H THR A 18 2.058 4.901 -12.182 1.00 0.00 H new ATOM 0 HA THR A 18 4.088 4.060 -10.175 1.00 0.00 H new ATOM 0 HB THR A 18 4.829 5.824 -12.479 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.400 3.697 -13.521 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.027 4.753 -12.149 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.430 5.423 -10.612 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.330 3.673 -10.918 1.00 0.00 H new ATOM 241 N LEU A 19 3.315 5.984 -8.952 1.00 0.00 N ATOM 242 CA LEU A 19 3.008 7.163 -8.161 1.00 0.00 C ATOM 243 C LEU A 19 4.306 7.751 -7.604 1.00 0.00 C ATOM 244 O LEU A 19 5.321 7.060 -7.525 1.00 0.00 O ATOM 245 CB LEU A 19 1.972 6.832 -7.085 1.00 0.00 C ATOM 246 CG LEU A 19 1.153 8.012 -6.557 1.00 0.00 C ATOM 247 CD1 LEU A 19 0.031 8.380 -7.529 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.622 7.725 -5.151 1.00 0.00 C ATOM 0 H LEU A 19 3.429 5.126 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 19 2.551 7.931 -8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.284 6.089 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.487 6.367 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 19 1.811 8.878 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.535 9.221 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.460 8.656 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.633 7.525 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.044 8.579 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.015 6.841 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.459 7.550 -4.475 1.00 0.00 H new ATOM 260 N THR A 20 4.232 9.021 -7.233 1.00 0.00 N ATOM 261 CA THR A 20 5.388 9.709 -6.685 1.00 0.00 C ATOM 262 C THR A 20 4.993 10.514 -5.445 1.00 0.00 C ATOM 263 O THR A 20 4.132 11.389 -5.518 1.00 0.00 O ATOM 264 CB THR A 20 5.998 10.566 -7.797 1.00 0.00 C ATOM 265 OG1 THR A 20 6.239 9.642 -8.855 1.00 0.00 O ATOM 266 CG2 THR A 20 7.390 11.089 -7.435 1.00 0.00 C ATOM 0 H THR A 20 3.389 9.591 -7.301 1.00 0.00 H new ATOM 0 HA THR A 20 6.145 9.002 -6.346 1.00 0.00 H new ATOM 0 HB THR A 20 5.338 11.407 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.633 10.114 -9.618 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.778 11.691 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.326 11.702 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.059 10.248 -7.254 1.00 0.00 H new ATOM 274 N ILE A 21 5.641 10.189 -4.337 1.00 0.00 N ATOM 275 CA ILE A 21 5.368 10.870 -3.083 1.00 0.00 C ATOM 276 C ILE A 21 6.576 11.728 -2.700 1.00 0.00 C ATOM 277 O ILE A 21 7.708 11.408 -3.059 1.00 0.00 O ATOM 278 CB ILE A 21 4.961 9.865 -2.004 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.730 9.065 -2.436 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.750 10.560 -0.658 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.811 7.621 -1.938 1.00 0.00 C ATOM 0 H ILE A 21 6.355 9.463 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 21 4.519 11.545 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 21 5.777 9.154 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.829 9.538 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.649 9.074 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.461 9.823 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.676 11.046 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.962 11.307 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.924 7.075 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.700 7.143 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.867 7.614 -0.849 1.00 0.00 H new ATOM 293 N LEU A 22 6.294 12.801 -1.976 1.00 0.00 N ATOM 294 CA LEU A 22 7.343 13.707 -1.540 1.00 0.00 C ATOM 295 C LEU A 22 7.655 13.447 -0.065 1.00 0.00 C ATOM 296 O LEU A 22 6.751 13.189 0.729 1.00 0.00 O ATOM 297 CB LEU A 22 6.958 15.156 -1.841 1.00 0.00 C ATOM 298 CG LEU A 22 7.752 15.844 -2.953 1.00 0.00 C ATOM 299 CD1 LEU A 22 7.309 17.299 -3.124 1.00 0.00 C ATOM 300 CD2 LEU A 22 9.257 15.729 -2.704 1.00 0.00 C ATOM 0 H LEU A 22 5.354 13.063 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 22 8.261 13.523 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.901 15.183 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.072 15.739 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 22 7.541 15.331 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.889 17.765 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.250 17.329 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.472 17.841 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.798 16.226 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.506 16.201 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.541 14.677 -2.672 1.00 0.00 H new ATOM 312 N ARG A 23 8.938 13.523 0.258 1.00 0.00 N ATOM 313 CA ARG A 23 9.381 13.300 1.623 1.00 0.00 C ATOM 314 C ARG A 23 9.209 14.574 2.453 1.00 0.00 C ATOM 315 O ARG A 23 10.052 15.469 2.404 1.00 0.00 O ATOM 316 CB ARG A 23 10.848 12.867 1.663 1.00 0.00 C ATOM 317 CG ARG A 23 11.164 12.119 2.960 1.00 0.00 C ATOM 318 CD ARG A 23 12.447 11.297 2.819 1.00 0.00 C ATOM 319 NE ARG A 23 13.105 11.158 4.138 1.00 0.00 N ATOM 320 CZ ARG A 23 13.910 12.083 4.678 1.00 0.00 C ATOM 321 NH1 ARG A 23 14.160 13.221 4.016 1.00 0.00 N ATOM 322 NH2 ARG A 23 14.463 11.871 5.879 1.00 0.00 N ATOM 0 H ARG A 23 9.685 13.736 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 23 8.768 12.503 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.065 12.227 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.492 13.742 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.272 12.831 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.333 11.462 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.215 10.312 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.124 11.781 2.115 1.00 0.00 H new ATOM 0 HE ARG A 23 12.935 10.304 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.738 13.383 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.773 13.926 4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.271 11.005 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.076 12.575 6.290 1.00 0.00 H new ATOM 381 N LEU A 28 6.422 9.375 4.815 1.00 0.00 N ATOM 382 CA LEU A 28 5.205 9.199 4.042 1.00 0.00 C ATOM 383 C LEU A 28 4.001 9.206 4.985 1.00 0.00 C ATOM 384 O LEU A 28 4.128 9.559 6.157 1.00 0.00 O ATOM 385 CB LEU A 28 5.299 7.943 3.173 1.00 0.00 C ATOM 386 CG LEU A 28 6.624 7.732 2.439 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.610 6.424 1.646 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.959 8.935 1.555 1.00 0.00 C ATOM 0 HA LEU A 28 5.071 10.029 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.114 7.074 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.499 7.976 2.434 1.00 0.00 H new ATOM 0 HG LEU A 28 7.416 7.649 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.564 6.299 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.451 5.588 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.805 6.452 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.906 8.759 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.169 9.075 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.041 9.829 2.173 1.00 0.00 H new ATOM 400 N GLY A 29 2.859 8.812 4.440 1.00 0.00 N ATOM 401 CA GLY A 29 1.633 8.768 5.218 1.00 0.00 C ATOM 402 C GLY A 29 0.678 7.703 4.677 1.00 0.00 C ATOM 403 O GLY A 29 -0.467 8.003 4.341 1.00 0.00 O ATOM 0 H GLY A 29 2.757 8.520 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.867 8.555 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.147 9.743 5.193 1.00 0.00 H new ATOM 407 N ILE A 30 1.183 6.480 4.610 1.00 0.00 N ATOM 408 CA ILE A 30 0.389 5.368 4.115 1.00 0.00 C ATOM 409 C ILE A 30 0.744 4.104 4.901 1.00 0.00 C ATOM 410 O ILE A 30 1.811 4.025 5.507 1.00 0.00 O ATOM 411 CB ILE A 30 0.558 5.220 2.602 1.00 0.00 C ATOM 412 CG1 ILE A 30 2.037 5.253 2.210 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.257 6.276 1.853 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.445 3.961 1.499 1.00 0.00 C ATOM 0 H ILE A 30 2.132 6.234 4.890 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.672 5.556 4.276 1.00 0.00 H new ATOM 0 HB ILE A 30 0.168 4.245 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.225 6.106 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.650 5.391 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.119 6.148 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.313 6.163 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.079 7.271 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.500 4.011 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.278 3.112 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.847 3.838 0.596 1.00 0.00 H new ATOM 426 N SER A 31 -0.171 3.147 4.864 1.00 0.00 N ATOM 427 CA SER A 31 0.032 1.890 5.565 1.00 0.00 C ATOM 428 C SER A 31 0.035 0.729 4.568 1.00 0.00 C ATOM 429 O SER A 31 -0.595 0.810 3.515 1.00 0.00 O ATOM 430 CB SER A 31 -1.045 1.673 6.630 1.00 0.00 C ATOM 431 OG SER A 31 -0.793 2.434 7.807 1.00 0.00 O ATOM 0 H SER A 31 -1.055 3.216 4.360 1.00 0.00 H new ATOM 0 HA SER A 31 0.998 1.931 6.068 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.018 1.947 6.223 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.093 0.615 6.886 1.00 0.00 H new ATOM 0 HG SER A 31 -1.504 2.269 8.461 1.00 0.00 H new ATOM 437 N ILE A 32 0.751 -0.323 4.936 1.00 0.00 N ATOM 438 CA ILE A 32 0.844 -1.498 4.087 1.00 0.00 C ATOM 439 C ILE A 32 0.288 -2.710 4.838 1.00 0.00 C ATOM 440 O ILE A 32 0.158 -2.681 6.061 1.00 0.00 O ATOM 441 CB ILE A 32 2.279 -1.688 3.590 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.236 -1.933 4.759 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.721 -0.506 2.725 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.665 -2.157 4.260 1.00 0.00 C ATOM 0 H ILE A 32 1.272 -0.386 5.811 1.00 0.00 H new ATOM 0 HA ILE A 32 0.235 -1.370 3.192 1.00 0.00 H new ATOM 0 HB ILE A 32 2.307 -2.576 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.213 -1.080 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.905 -2.802 5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.744 -0.666 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.061 -0.420 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.673 0.412 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.325 -2.329 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.689 -3.025 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.001 -1.277 3.712 1.00 0.00 H new ATOM 456 N ALA A 33 -0.025 -3.746 4.075 1.00 0.00 N ATOM 457 CA ALA A 33 -0.564 -4.966 4.653 1.00 0.00 C ATOM 458 C ALA A 33 -0.423 -6.108 3.645 1.00 0.00 C ATOM 459 O ALA A 33 -0.746 -5.947 2.469 1.00 0.00 O ATOM 460 CB ALA A 33 -2.018 -4.733 5.071 1.00 0.00 C ATOM 0 H ALA A 33 0.084 -3.766 3.061 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.008 -5.246 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.423 -5.647 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.061 -3.932 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.607 -4.454 4.198 1.00 0.00 H new ATOM 466 N GLY A 34 0.059 -7.237 4.143 1.00 0.00 N ATOM 467 CA GLY A 34 0.247 -8.407 3.301 1.00 0.00 C ATOM 468 C GLY A 34 1.633 -9.019 3.515 1.00 0.00 C ATOM 469 O GLY A 34 1.946 -9.487 4.608 1.00 0.00 O ATOM 0 H GLY A 34 0.325 -7.367 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.520 -9.148 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.126 -8.129 2.254 1.00 0.00 H new ATOM 473 N GLY A 35 2.425 -8.996 2.453 1.00 0.00 N ATOM 474 CA GLY A 35 3.769 -9.543 2.510 1.00 0.00 C ATOM 475 C GLY A 35 3.743 -11.023 2.900 1.00 0.00 C ATOM 476 O GLY A 35 2.789 -11.487 3.523 1.00 0.00 O ATOM 0 H GLY A 35 2.161 -8.607 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.254 -9.427 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.363 -8.983 3.233 1.00 0.00 H new ATOM 480 N LYS A 36 4.802 -11.721 2.518 1.00 0.00 N ATOM 481 CA LYS A 36 4.912 -13.138 2.820 1.00 0.00 C ATOM 482 C LYS A 36 4.858 -13.338 4.336 1.00 0.00 C ATOM 483 O LYS A 36 5.307 -12.480 5.095 1.00 0.00 O ATOM 484 CB LYS A 36 6.162 -13.730 2.166 1.00 0.00 C ATOM 485 CG LYS A 36 6.127 -15.259 2.199 1.00 0.00 C ATOM 486 CD LYS A 36 7.515 -15.846 1.930 1.00 0.00 C ATOM 487 CE LYS A 36 7.800 -15.912 0.429 1.00 0.00 C ATOM 488 NZ LYS A 36 8.703 -17.043 0.122 1.00 0.00 N ATOM 0 H LYS A 36 5.591 -11.332 2.002 1.00 0.00 H new ATOM 0 HA LYS A 36 4.069 -13.684 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.234 -13.387 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.052 -13.372 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.768 -15.597 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.422 -15.626 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.273 -15.236 2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.581 -16.845 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.865 -16.026 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.252 -14.977 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.886 -17.073 -0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.601 -16.918 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.257 -17.934 0.420 1.00 0.00 H new ATOM 502 N GLY A 37 4.306 -14.475 4.732 1.00 0.00 N ATOM 503 CA GLY A 37 4.188 -14.798 6.144 1.00 0.00 C ATOM 504 C GLY A 37 2.952 -14.136 6.756 1.00 0.00 C ATOM 505 O GLY A 37 2.060 -14.819 7.256 1.00 0.00 O ATOM 0 H GLY A 37 3.935 -15.184 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.126 -15.879 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.082 -14.467 6.673 1.00 0.00 H new ATOM 509 N SER A 38 2.939 -12.812 6.697 1.00 0.00 N ATOM 510 CA SER A 38 1.827 -12.049 7.240 1.00 0.00 C ATOM 511 C SER A 38 0.533 -12.422 6.514 1.00 0.00 C ATOM 512 O SER A 38 0.564 -13.117 5.499 1.00 0.00 O ATOM 513 CB SER A 38 2.084 -10.545 7.128 1.00 0.00 C ATOM 514 OG SER A 38 2.388 -9.960 8.391 1.00 0.00 O ATOM 0 H SER A 38 3.681 -12.248 6.282 1.00 0.00 H new ATOM 0 HA SER A 38 1.727 -12.295 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.910 -10.369 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.206 -10.058 6.705 1.00 0.00 H new ATOM 0 HG SER A 38 2.547 -9.000 8.277 1.00 0.00 H new ATOM 520 N THR A 39 -0.574 -11.944 7.062 1.00 0.00 N ATOM 521 CA THR A 39 -1.877 -12.218 6.479 1.00 0.00 C ATOM 522 C THR A 39 -2.045 -11.453 5.165 1.00 0.00 C ATOM 523 O THR A 39 -1.601 -10.312 5.046 1.00 0.00 O ATOM 524 CB THR A 39 -2.943 -11.877 7.522 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.184 -13.112 8.190 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.290 -11.526 6.889 1.00 0.00 C ATOM 0 H THR A 39 -0.596 -11.368 7.904 1.00 0.00 H new ATOM 0 HA THR A 39 -1.981 -13.272 6.220 1.00 0.00 H new ATOM 0 HB THR A 39 -2.600 -11.041 8.131 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.863 -12.981 8.885 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.010 -11.292 7.673 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.171 -10.661 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.650 -12.374 6.306 1.00 0.00 H new ATOM 534 N PRO A 40 -2.704 -12.130 4.187 1.00 0.00 N ATOM 535 CA PRO A 40 -2.937 -11.526 2.886 1.00 0.00 C ATOM 536 C PRO A 40 -4.049 -10.478 2.959 1.00 0.00 C ATOM 537 O PRO A 40 -5.169 -10.783 3.364 1.00 0.00 O ATOM 538 CB PRO A 40 -3.275 -12.688 1.967 1.00 0.00 C ATOM 539 CG PRO A 40 -3.675 -13.837 2.879 1.00 0.00 C ATOM 540 CD PRO A 40 -3.244 -13.482 4.293 1.00 0.00 C ATOM 0 HA PRO A 40 -2.069 -10.981 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.087 -12.426 1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.419 -12.959 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.752 -14.000 2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.200 -14.763 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.086 -13.519 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.494 -14.180 4.665 1.00 0.00 H new ATOM 548 N TYR A 41 -3.701 -9.263 2.560 1.00 0.00 N ATOM 549 CA TYR A 41 -4.656 -8.168 2.575 1.00 0.00 C ATOM 550 C TYR A 41 -5.922 -8.534 1.798 1.00 0.00 C ATOM 551 O TYR A 41 -7.015 -8.081 2.136 1.00 0.00 O ATOM 552 CB TYR A 41 -3.964 -6.996 1.876 1.00 0.00 C ATOM 553 CG TYR A 41 -4.875 -5.790 1.635 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.646 -5.725 0.492 1.00 0.00 C ATOM 555 CD2 TYR A 41 -4.926 -4.768 2.561 1.00 0.00 C ATOM 556 CE1 TYR A 41 -6.503 -4.590 0.265 1.00 0.00 C ATOM 557 CE2 TYR A 41 -5.783 -3.633 2.334 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.529 -3.600 1.197 1.00 0.00 C ATOM 559 OH TYR A 41 -7.339 -2.529 0.983 1.00 0.00 O ATOM 0 H TYR A 41 -2.771 -9.013 2.224 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.952 -7.930 3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.111 -6.680 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.570 -7.338 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.607 -6.525 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.323 -4.819 3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.111 -4.527 -0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.832 -2.826 3.050 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.256 -1.901 1.731 1.00 0.00 H new ATOM 569 N LYS A 42 -5.733 -9.350 0.771 1.00 0.00 N ATOM 570 CA LYS A 42 -6.846 -9.782 -0.057 1.00 0.00 C ATOM 571 C LYS A 42 -7.193 -11.234 0.280 1.00 0.00 C ATOM 572 O LYS A 42 -8.146 -11.495 1.012 1.00 0.00 O ATOM 573 CB LYS A 42 -6.534 -9.551 -1.536 1.00 0.00 C ATOM 574 CG LYS A 42 -7.014 -8.171 -1.989 1.00 0.00 C ATOM 575 CD LYS A 42 -7.965 -8.285 -3.182 1.00 0.00 C ATOM 576 CE LYS A 42 -7.755 -7.128 -4.162 1.00 0.00 C ATOM 577 NZ LYS A 42 -9.013 -6.824 -4.881 1.00 0.00 N ATOM 0 H LYS A 42 -4.825 -9.723 0.494 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.733 -9.185 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.460 -9.639 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.015 -10.323 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.519 -7.669 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.157 -7.555 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.801 -9.234 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.997 -8.286 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.414 -6.244 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.974 -7.386 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.854 -6.037 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.322 -7.664 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.749 -6.557 -4.196 1.00 0.00 H new ATOM 591 N GLY A 43 -6.400 -12.141 -0.272 1.00 0.00 N ATOM 592 CA GLY A 43 -6.611 -13.560 -0.040 1.00 0.00 C ATOM 593 C GLY A 43 -5.595 -14.400 -0.817 1.00 0.00 C ATOM 594 O GLY A 43 -5.618 -14.427 -2.047 1.00 0.00 O ATOM 0 H GLY A 43 -5.611 -11.921 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.526 -13.774 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.622 -13.835 -0.341 1.00 0.00 H new ATOM 598 N ASP A 44 -4.728 -15.065 -0.068 1.00 0.00 N ATOM 599 CA ASP A 44 -3.706 -15.903 -0.671 1.00 0.00 C ATOM 600 C ASP A 44 -2.595 -15.017 -1.237 1.00 0.00 C ATOM 601 O ASP A 44 -1.436 -15.141 -0.842 1.00 0.00 O ATOM 602 CB ASP A 44 -4.282 -16.732 -1.821 1.00 0.00 C ATOM 603 CG ASP A 44 -3.546 -18.043 -2.105 1.00 0.00 C ATOM 604 OD1 ASP A 44 -3.699 -18.969 -1.281 1.00 0.00 O ATOM 605 OD2 ASP A 44 -2.848 -18.089 -3.141 1.00 0.00 O ATOM 0 H ASP A 44 -4.712 -15.040 0.952 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.321 -16.572 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.325 -16.959 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.274 -16.125 -2.726 1.00 0.00 H new ATOM 610 N ASP A 45 -2.986 -14.144 -2.153 1.00 0.00 N ATOM 611 CA ASP A 45 -2.037 -13.238 -2.777 1.00 0.00 C ATOM 612 C ASP A 45 -1.214 -12.541 -1.691 1.00 0.00 C ATOM 613 O ASP A 45 -1.679 -11.585 -1.073 1.00 0.00 O ATOM 614 CB ASP A 45 -2.757 -12.160 -3.589 1.00 0.00 C ATOM 615 CG ASP A 45 -3.859 -12.677 -4.516 1.00 0.00 C ATOM 616 OD1 ASP A 45 -3.964 -13.916 -4.637 1.00 0.00 O ATOM 617 OD2 ASP A 45 -4.572 -11.820 -5.083 1.00 0.00 O ATOM 0 H ASP A 45 -3.948 -14.045 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.399 -13.822 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.193 -11.437 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.020 -11.625 -4.188 1.00 0.00 H new ATOM 622 N GLU A 46 -0.006 -13.048 -1.493 1.00 0.00 N ATOM 623 CA GLU A 46 0.886 -12.486 -0.493 1.00 0.00 C ATOM 624 C GLU A 46 1.592 -11.247 -1.047 1.00 0.00 C ATOM 625 O GLU A 46 2.820 -11.182 -1.059 1.00 0.00 O ATOM 626 CB GLU A 46 1.900 -13.527 -0.015 1.00 0.00 C ATOM 627 CG GLU A 46 1.194 -14.765 0.542 1.00 0.00 C ATOM 628 CD GLU A 46 2.183 -15.681 1.267 1.00 0.00 C ATOM 629 OE1 GLU A 46 2.974 -16.338 0.556 1.00 0.00 O ATOM 630 OE2 GLU A 46 2.125 -15.702 2.515 1.00 0.00 O ATOM 0 H GLU A 46 0.376 -13.841 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 46 0.290 -12.185 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.548 -13.815 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.539 -13.092 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.405 -14.460 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.715 -15.311 -0.271 1.00 0.00 H new ATOM 637 N GLY A 47 0.785 -10.295 -1.491 1.00 0.00 N ATOM 638 CA GLY A 47 1.317 -9.061 -2.045 1.00 0.00 C ATOM 639 C GLY A 47 1.192 -7.911 -1.044 1.00 0.00 C ATOM 640 O GLY A 47 0.448 -8.011 -0.070 1.00 0.00 O ATOM 0 H GLY A 47 -0.233 -10.353 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.364 -9.201 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.783 -8.810 -2.961 1.00 0.00 H new ATOM 644 N ILE A 48 1.931 -6.846 -1.319 1.00 0.00 N ATOM 645 CA ILE A 48 1.911 -5.679 -0.454 1.00 0.00 C ATOM 646 C ILE A 48 0.859 -4.691 -0.961 1.00 0.00 C ATOM 647 O ILE A 48 1.039 -4.069 -2.007 1.00 0.00 O ATOM 648 CB ILE A 48 3.313 -5.077 -0.336 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.270 -6.048 0.358 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.268 -3.717 0.365 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.985 -6.121 1.860 1.00 0.00 C ATOM 0 H ILE A 48 2.547 -6.767 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 48 1.622 -5.960 0.559 1.00 0.00 H new ATOM 0 HB ILE A 48 3.699 -4.909 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.170 -7.040 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.299 -5.729 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.277 -3.311 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.641 -3.033 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.854 -3.837 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.679 -6.818 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.109 -5.133 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.963 -6.464 2.020 1.00 0.00 H new ATOM 663 N PHE A 49 -0.218 -4.578 -0.197 1.00 0.00 N ATOM 664 CA PHE A 49 -1.299 -3.677 -0.556 1.00 0.00 C ATOM 665 C PHE A 49 -1.429 -2.543 0.463 1.00 0.00 C ATOM 666 O PHE A 49 -1.000 -2.680 1.608 1.00 0.00 O ATOM 667 CB PHE A 49 -2.588 -4.501 -0.550 1.00 0.00 C ATOM 668 CG PHE A 49 -2.742 -5.423 -1.761 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.769 -6.326 -2.056 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.853 -5.340 -2.542 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.912 -7.182 -3.180 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.996 -6.196 -3.666 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.022 -7.099 -3.962 1.00 0.00 C ATOM 0 H PHE A 49 -0.365 -5.096 0.669 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.104 -3.232 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.618 -5.103 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.441 -3.823 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.888 -6.392 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.626 -4.623 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.139 -7.899 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.878 -6.130 -4.286 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.130 -7.749 -4.817 1.00 0.00 H new ATOM 683 N ILE A 50 -2.021 -1.448 0.010 1.00 0.00 N ATOM 684 CA ILE A 50 -2.212 -0.290 0.867 1.00 0.00 C ATOM 685 C ILE A 50 -3.246 -0.625 1.945 1.00 0.00 C ATOM 686 O ILE A 50 -4.359 -1.046 1.633 1.00 0.00 O ATOM 687 CB ILE A 50 -2.570 0.941 0.033 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.481 1.239 -1.000 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.854 2.148 0.931 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.101 1.297 -0.341 1.00 0.00 C ATOM 0 H ILE A 50 -2.375 -1.338 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.284 -0.039 1.381 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.486 0.726 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.487 0.470 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.693 2.188 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.106 3.010 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.689 1.920 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.970 2.375 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.655 1.510 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.091 2.083 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.118 0.339 0.130 1.00 0.00 H new ATOM 702 N SER A 51 -2.841 -0.424 3.190 1.00 0.00 N ATOM 703 CA SER A 51 -3.718 -0.699 4.316 1.00 0.00 C ATOM 704 C SER A 51 -4.502 0.561 4.688 1.00 0.00 C ATOM 705 O SER A 51 -5.671 0.480 5.063 1.00 0.00 O ATOM 706 CB SER A 51 -2.924 -1.206 5.522 1.00 0.00 C ATOM 707 OG SER A 51 -3.444 -0.706 6.751 1.00 0.00 O ATOM 0 H SER A 51 -1.917 -0.074 3.444 1.00 0.00 H new ATOM 0 HA SER A 51 -4.418 -1.481 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.943 -2.296 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.881 -0.907 5.421 1.00 0.00 H new ATOM 0 HG SER A 51 -2.912 -1.053 7.497 1.00 0.00 H new ATOM 713 N ARG A 52 -3.828 1.695 4.571 1.00 0.00 N ATOM 714 CA ARG A 52 -4.447 2.970 4.891 1.00 0.00 C ATOM 715 C ARG A 52 -3.713 4.109 4.180 1.00 0.00 C ATOM 716 O ARG A 52 -2.524 3.998 3.886 1.00 0.00 O ATOM 717 CB ARG A 52 -4.434 3.226 6.399 1.00 0.00 C ATOM 718 CG ARG A 52 -5.512 4.238 6.793 1.00 0.00 C ATOM 719 CD ARG A 52 -6.907 3.721 6.431 1.00 0.00 C ATOM 720 NE ARG A 52 -7.840 3.955 7.556 1.00 0.00 N ATOM 721 CZ ARG A 52 -7.929 3.165 8.635 1.00 0.00 C ATOM 722 NH1 ARG A 52 -7.142 2.086 8.742 1.00 0.00 N ATOM 723 NH2 ARG A 52 -8.805 3.455 9.607 1.00 0.00 N ATOM 0 H ARG A 52 -2.859 1.758 4.259 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.482 2.931 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.597 2.289 6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.454 3.597 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.459 4.433 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.329 5.186 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.270 4.225 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.861 2.657 6.201 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.454 4.768 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.475 1.866 8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.210 1.485 9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.404 4.277 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.873 2.854 10.428 1.00 0.00 H new ATOM 737 N VAL A 53 -4.453 5.179 3.926 1.00 0.00 N ATOM 738 CA VAL A 53 -3.887 6.337 3.256 1.00 0.00 C ATOM 739 C VAL A 53 -4.252 7.602 4.037 1.00 0.00 C ATOM 740 O VAL A 53 -5.365 8.111 3.915 1.00 0.00 O ATOM 741 CB VAL A 53 -4.354 6.379 1.799 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.243 7.794 1.228 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.572 5.380 0.944 1.00 0.00 C ATOM 0 H VAL A 53 -5.439 5.268 4.172 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.799 6.271 3.233 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.405 6.090 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.581 7.796 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.864 8.472 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.205 8.124 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.923 5.430 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.510 5.625 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.724 4.372 1.331 1.00 0.00 H new ATOM 753 N SER A 54 -3.293 8.071 4.822 1.00 0.00 N ATOM 754 CA SER A 54 -3.500 9.266 5.622 1.00 0.00 C ATOM 755 C SER A 54 -4.079 10.384 4.754 1.00 0.00 C ATOM 756 O SER A 54 -3.397 10.909 3.874 1.00 0.00 O ATOM 757 CB SER A 54 -2.194 9.723 6.276 1.00 0.00 C ATOM 758 OG SER A 54 -1.759 8.821 7.289 1.00 0.00 O ATOM 0 H SER A 54 -2.371 7.645 4.921 1.00 0.00 H new ATOM 0 HA SER A 54 -4.209 9.028 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.420 9.813 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.333 10.714 6.708 1.00 0.00 H new ATOM 0 HG SER A 54 -0.922 9.148 7.680 1.00 0.00 H new ATOM 764 N GLU A 55 -5.331 10.717 5.031 1.00 0.00 N ATOM 765 CA GLU A 55 -6.010 11.763 4.286 1.00 0.00 C ATOM 766 C GLU A 55 -5.140 13.020 4.223 1.00 0.00 C ATOM 767 O GLU A 55 -4.858 13.531 3.140 1.00 0.00 O ATOM 768 CB GLU A 55 -7.378 12.073 4.898 1.00 0.00 C ATOM 769 CG GLU A 55 -8.499 11.399 4.105 1.00 0.00 C ATOM 770 CD GLU A 55 -9.762 11.255 4.956 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.162 12.276 5.556 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.299 10.126 4.988 1.00 0.00 O ATOM 0 H GLU A 55 -5.893 10.280 5.762 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.176 11.408 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.403 11.731 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.537 13.151 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.722 11.985 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.170 10.416 3.767 1.00 0.00 H new ATOM 779 N GLU A 56 -4.738 13.482 5.398 1.00 0.00 N ATOM 780 CA GLU A 56 -3.905 14.669 5.491 1.00 0.00 C ATOM 781 C GLU A 56 -2.425 14.282 5.469 1.00 0.00 C ATOM 782 O GLU A 56 -1.666 14.669 6.356 1.00 0.00 O ATOM 783 CB GLU A 56 -4.242 15.479 6.744 1.00 0.00 C ATOM 784 CG GLU A 56 -4.975 16.772 6.381 1.00 0.00 C ATOM 785 CD GLU A 56 -5.576 17.429 7.625 1.00 0.00 C ATOM 786 OE1 GLU A 56 -4.810 17.612 8.597 1.00 0.00 O ATOM 787 OE2 GLU A 56 -6.787 17.734 7.577 1.00 0.00 O ATOM 0 H GLU A 56 -4.974 13.055 6.294 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.108 15.300 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.862 14.881 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.326 15.716 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.284 17.463 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.765 16.557 5.661 1.00 0.00 H new ATOM 794 N GLY A 57 -2.059 13.525 4.445 1.00 0.00 N ATOM 795 CA GLY A 57 -0.683 13.081 4.296 1.00 0.00 C ATOM 796 C GLY A 57 -0.143 13.427 2.907 1.00 0.00 C ATOM 797 O GLY A 57 -0.839 14.044 2.103 1.00 0.00 O ATOM 0 H GLY A 57 -2.691 13.208 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.061 13.549 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.625 12.004 4.455 1.00 0.00 H new ATOM 801 N PRO A 58 1.125 13.003 2.662 1.00 0.00 N ATOM 802 CA PRO A 58 1.767 13.261 1.384 1.00 0.00 C ATOM 803 C PRO A 58 1.211 12.340 0.296 1.00 0.00 C ATOM 804 O PRO A 58 1.014 12.765 -0.842 1.00 0.00 O ATOM 805 CB PRO A 58 3.250 13.051 1.639 1.00 0.00 C ATOM 806 CG PRO A 58 3.342 12.236 2.919 1.00 0.00 C ATOM 807 CD PRO A 58 1.979 12.269 3.591 1.00 0.00 C ATOM 0 HA PRO A 58 1.579 14.269 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.719 12.526 0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.767 14.005 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.634 11.209 2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.104 12.649 3.580 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.600 11.262 3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.027 12.765 4.560 1.00 0.00 H new ATOM 815 N ALA A 59 0.974 11.095 0.683 1.00 0.00 N ATOM 816 CA ALA A 59 0.445 10.110 -0.245 1.00 0.00 C ATOM 817 C ALA A 59 -0.891 10.607 -0.803 1.00 0.00 C ATOM 818 O ALA A 59 -1.050 10.740 -2.015 1.00 0.00 O ATOM 819 CB ALA A 59 0.315 8.760 0.462 1.00 0.00 C ATOM 0 H ALA A 59 1.139 10.746 1.627 1.00 0.00 H new ATOM 0 HA ALA A 59 1.124 9.973 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.082 8.021 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.295 8.438 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.361 8.858 1.311 1.00 0.00 H new ATOM 825 N ALA A 60 -1.816 10.868 0.109 1.00 0.00 N ATOM 826 CA ALA A 60 -3.132 11.347 -0.277 1.00 0.00 C ATOM 827 C ALA A 60 -2.987 12.373 -1.402 1.00 0.00 C ATOM 828 O ALA A 60 -3.770 12.374 -2.351 1.00 0.00 O ATOM 829 CB ALA A 60 -3.845 11.923 0.949 1.00 0.00 C ATOM 0 H ALA A 60 -1.680 10.757 1.114 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.743 10.527 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.833 12.283 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.949 11.147 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.262 12.750 1.354 1.00 0.00 H new ATOM 835 N ARG A 61 -1.981 13.223 -1.259 1.00 0.00 N ATOM 836 CA ARG A 61 -1.723 14.252 -2.252 1.00 0.00 C ATOM 837 C ARG A 61 -1.251 13.619 -3.563 1.00 0.00 C ATOM 838 O ARG A 61 -1.752 13.955 -4.635 1.00 0.00 O ATOM 839 CB ARG A 61 -0.663 15.239 -1.760 1.00 0.00 C ATOM 840 CG ARG A 61 -1.142 15.979 -0.509 1.00 0.00 C ATOM 841 CD ARG A 61 -0.596 17.408 -0.475 1.00 0.00 C ATOM 842 NE ARG A 61 -1.713 18.377 -0.424 1.00 0.00 N ATOM 843 CZ ARG A 61 -2.393 18.682 0.690 1.00 0.00 C ATOM 844 NH1 ARG A 61 -2.072 18.096 1.852 1.00 0.00 N ATOM 845 NH2 ARG A 61 -3.393 19.572 0.643 1.00 0.00 N ATOM 0 H ARG A 61 -1.334 13.220 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.655 14.791 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.262 14.705 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.436 15.958 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.232 16.002 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.819 15.441 0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.049 17.539 0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.016 17.593 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.982 18.842 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.311 17.418 1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.589 18.328 2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.638 20.018 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.910 19.803 1.491 1.00 0.00 H new ATOM 859 N ALA A 62 -0.292 12.713 -3.433 1.00 0.00 N ATOM 860 CA ALA A 62 0.254 12.030 -4.594 1.00 0.00 C ATOM 861 C ALA A 62 -0.894 11.475 -5.440 1.00 0.00 C ATOM 862 O ALA A 62 -0.824 11.482 -6.668 1.00 0.00 O ATOM 863 CB ALA A 62 1.221 10.937 -4.135 1.00 0.00 C ATOM 0 H ALA A 62 0.120 12.436 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 62 0.818 12.724 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.631 10.425 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.033 11.386 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.689 10.220 -3.509 1.00 0.00 H new ATOM 869 N GLY A 63 -1.924 11.008 -4.749 1.00 0.00 N ATOM 870 CA GLY A 63 -3.085 10.451 -5.422 1.00 0.00 C ATOM 871 C GLY A 63 -3.171 8.939 -5.203 1.00 0.00 C ATOM 872 O GLY A 63 -3.767 8.225 -6.008 1.00 0.00 O ATOM 0 H GLY A 63 -1.978 11.004 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.991 10.929 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.029 10.665 -6.489 1.00 0.00 H new ATOM 876 N VAL A 64 -2.568 8.495 -4.110 1.00 0.00 N ATOM 877 CA VAL A 64 -2.570 7.082 -3.775 1.00 0.00 C ATOM 878 C VAL A 64 -3.968 6.674 -3.306 1.00 0.00 C ATOM 879 O VAL A 64 -4.745 7.515 -2.857 1.00 0.00 O ATOM 880 CB VAL A 64 -1.482 6.788 -2.740 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.877 7.325 -1.363 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.176 5.290 -2.677 1.00 0.00 C ATOM 0 H VAL A 64 -2.074 9.090 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.335 6.481 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.573 7.303 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.087 7.103 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.022 8.404 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.804 6.851 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.400 5.108 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.079 4.746 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.832 4.948 -3.653 1.00 0.00 H new ATOM 892 N ARG A 65 -4.245 5.384 -3.426 1.00 0.00 N ATOM 893 CA ARG A 65 -5.536 4.855 -3.020 1.00 0.00 C ATOM 894 C ARG A 65 -5.359 3.514 -2.306 1.00 0.00 C ATOM 895 O ARG A 65 -4.572 2.674 -2.740 1.00 0.00 O ATOM 896 CB ARG A 65 -6.458 4.666 -4.226 1.00 0.00 C ATOM 897 CG ARG A 65 -6.968 6.012 -4.743 1.00 0.00 C ATOM 898 CD ARG A 65 -6.550 6.235 -6.198 1.00 0.00 C ATOM 899 NE ARG A 65 -7.323 7.353 -6.782 1.00 0.00 N ATOM 900 CZ ARG A 65 -7.145 8.640 -6.456 1.00 0.00 C ATOM 901 NH1 ARG A 65 -6.219 8.980 -5.549 1.00 0.00 N ATOM 902 NH2 ARG A 65 -7.893 9.588 -7.037 1.00 0.00 N ATOM 0 H ARG A 65 -3.597 4.690 -3.799 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.991 5.575 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.922 4.147 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.303 4.036 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.055 6.048 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.576 6.817 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.483 6.454 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.717 5.326 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.036 7.130 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.649 8.259 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.084 9.960 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.598 9.330 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.757 10.568 -6.789 1.00 0.00 H new ATOM 916 N VAL A 66 -6.104 3.353 -1.222 1.00 0.00 N ATOM 917 CA VAL A 66 -6.040 2.128 -0.444 1.00 0.00 C ATOM 918 C VAL A 66 -6.399 0.941 -1.340 1.00 0.00 C ATOM 919 O VAL A 66 -7.203 1.074 -2.261 1.00 0.00 O ATOM 920 CB VAL A 66 -6.941 2.242 0.787 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.052 0.899 1.512 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.441 3.335 1.733 1.00 0.00 C ATOM 0 H VAL A 66 -6.756 4.051 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.028 1.962 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.938 2.523 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.698 1.008 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.475 0.155 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.062 0.576 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.099 3.395 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.429 3.097 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.438 4.293 1.213 1.00 0.00 H new ATOM 932 N GLY A 67 -5.784 -0.194 -1.038 1.00 0.00 N ATOM 933 CA GLY A 67 -6.029 -1.404 -1.805 1.00 0.00 C ATOM 934 C GLY A 67 -4.983 -1.575 -2.908 1.00 0.00 C ATOM 935 O GLY A 67 -4.732 -2.690 -3.362 1.00 0.00 O ATOM 0 H GLY A 67 -5.117 -0.301 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.009 -2.269 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.025 -1.364 -2.246 1.00 0.00 H new ATOM 939 N ASP A 68 -4.401 -0.454 -3.307 1.00 0.00 N ATOM 940 CA ASP A 68 -3.388 -0.466 -4.348 1.00 0.00 C ATOM 941 C ASP A 68 -2.368 -1.567 -4.049 1.00 0.00 C ATOM 942 O ASP A 68 -1.870 -1.669 -2.929 1.00 0.00 O ATOM 943 CB ASP A 68 -2.640 0.868 -4.404 1.00 0.00 C ATOM 944 CG ASP A 68 -3.033 1.781 -5.567 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.409 1.227 -6.622 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.949 3.013 -5.374 1.00 0.00 O ATOM 0 H ASP A 68 -4.612 0.469 -2.928 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.887 -0.641 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.810 1.402 -3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.571 0.666 -4.466 1.00 0.00 H new ATOM 951 N LYS A 69 -2.088 -2.363 -5.071 1.00 0.00 N ATOM 952 CA LYS A 69 -1.138 -3.453 -4.931 1.00 0.00 C ATOM 953 C LYS A 69 0.257 -2.960 -5.322 1.00 0.00 C ATOM 954 O LYS A 69 0.588 -2.897 -6.505 1.00 0.00 O ATOM 955 CB LYS A 69 -1.603 -4.675 -5.726 1.00 0.00 C ATOM 956 CG LYS A 69 -0.496 -5.728 -5.811 1.00 0.00 C ATOM 957 CD LYS A 69 -0.900 -6.874 -6.741 1.00 0.00 C ATOM 958 CE LYS A 69 -0.001 -8.094 -6.529 1.00 0.00 C ATOM 959 NZ LYS A 69 1.348 -7.847 -7.086 1.00 0.00 N ATOM 0 H LYS A 69 -2.502 -2.275 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.083 -3.779 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.485 -5.107 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.897 -4.370 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.422 -5.267 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.284 -6.120 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.939 -7.147 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.835 -6.546 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.074 -8.317 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.444 -8.967 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.940 -8.691 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.271 -7.639 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.782 -7.037 -6.599 1.00 0.00 H new ATOM 973 N LEU A 70 1.037 -2.623 -4.306 1.00 0.00 N ATOM 974 CA LEU A 70 2.389 -2.138 -4.529 1.00 0.00 C ATOM 975 C LEU A 70 3.185 -3.194 -5.299 1.00 0.00 C ATOM 976 O LEU A 70 3.190 -4.366 -4.926 1.00 0.00 O ATOM 977 CB LEU A 70 3.035 -1.725 -3.205 1.00 0.00 C ATOM 978 CG LEU A 70 3.685 -0.340 -3.178 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.664 -0.172 -4.342 1.00 0.00 C ATOM 980 CD2 LEU A 70 2.624 0.762 -3.157 1.00 0.00 C ATOM 0 H LEU A 70 0.759 -2.676 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 70 2.374 -1.238 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.274 -1.763 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.793 -2.465 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 70 4.261 -0.250 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.112 0.821 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.447 -0.927 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.131 -0.290 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.112 1.737 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.002 0.685 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.001 0.651 -2.269 1.00 0.00 H new ATOM 992 N LEU A 71 3.838 -2.740 -6.358 1.00 0.00 N ATOM 993 CA LEU A 71 4.635 -3.631 -7.184 1.00 0.00 C ATOM 994 C LEU A 71 6.115 -3.276 -7.027 1.00 0.00 C ATOM 995 O LEU A 71 6.967 -4.162 -6.965 1.00 0.00 O ATOM 996 CB LEU A 71 4.146 -3.600 -8.633 1.00 0.00 C ATOM 997 CG LEU A 71 2.630 -3.519 -8.827 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.282 -3.079 -10.251 1.00 0.00 C ATOM 999 CD2 LEU A 71 1.959 -4.843 -8.457 1.00 0.00 C ATOM 0 H LEU A 71 3.832 -1.767 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 71 4.517 -4.663 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.602 -2.745 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.510 -4.495 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 71 2.239 -2.759 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.199 -3.030 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.712 -2.096 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.687 -3.798 -10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.882 -4.759 -8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.350 -5.639 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.166 -5.076 -7.412 1.00 0.00 H new ATOM 1011 N GLU A 72 6.377 -1.978 -6.969 1.00 0.00 N ATOM 1012 CA GLU A 72 7.739 -1.495 -6.820 1.00 0.00 C ATOM 1013 C GLU A 72 7.766 -0.245 -5.939 1.00 0.00 C ATOM 1014 O GLU A 72 6.745 0.417 -5.763 1.00 0.00 O ATOM 1015 CB GLU A 72 8.374 -1.218 -8.185 1.00 0.00 C ATOM 1016 CG GLU A 72 9.497 -2.214 -8.480 1.00 0.00 C ATOM 1017 CD GLU A 72 9.795 -2.275 -9.980 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.887 -2.709 -10.722 1.00 0.00 O ATOM 1019 OE2 GLU A 72 10.924 -1.887 -10.350 1.00 0.00 O ATOM 0 H GLU A 72 5.669 -1.246 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 72 8.328 -2.272 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.613 -1.281 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.769 -0.202 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.397 -1.924 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.214 -3.204 -8.121 1.00 0.00 H new ATOM 1026 N VAL A 73 8.946 0.040 -5.408 1.00 0.00 N ATOM 1027 CA VAL A 73 9.120 1.199 -4.548 1.00 0.00 C ATOM 1028 C VAL A 73 10.559 1.705 -4.667 1.00 0.00 C ATOM 1029 O VAL A 73 11.471 1.138 -4.067 1.00 0.00 O ATOM 1030 CB VAL A 73 8.725 0.849 -3.112 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.466 1.735 -2.109 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.211 0.950 -2.920 1.00 0.00 C ATOM 0 H VAL A 73 9.791 -0.512 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 73 8.463 2.010 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 73 9.017 -0.184 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.167 1.466 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.541 1.591 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.219 2.780 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.957 0.696 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.884 1.968 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.711 0.258 -3.598 1.00 0.00 H new ATOM 1042 N ASN A 74 10.717 2.766 -5.443 1.00 0.00 N ATOM 1043 CA ASN A 74 12.030 3.355 -5.648 1.00 0.00 C ATOM 1044 C ASN A 74 12.855 2.446 -6.560 1.00 0.00 C ATOM 1045 O ASN A 74 14.060 2.643 -6.713 1.00 0.00 O ATOM 1046 CB ASN A 74 12.780 3.502 -4.322 1.00 0.00 C ATOM 1047 CG ASN A 74 13.258 4.941 -4.119 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.361 5.314 -4.485 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.370 5.726 -3.517 1.00 0.00 N ATOM 0 H ASN A 74 9.958 3.234 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 74 11.892 4.339 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.129 3.212 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.635 2.826 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.594 6.704 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.464 5.350 -3.236 1.00 0.00 H new ATOM 1056 N GLY A 75 12.174 1.470 -7.143 1.00 0.00 N ATOM 1057 CA GLY A 75 12.830 0.530 -8.036 1.00 0.00 C ATOM 1058 C GLY A 75 12.862 -0.873 -7.427 1.00 0.00 C ATOM 1059 O GLY A 75 12.998 -1.863 -8.146 1.00 0.00 O ATOM 0 H GLY A 75 11.175 1.310 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.306 0.504 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.847 0.865 -8.240 1.00 0.00 H new ATOM 1063 N VAL A 76 12.735 -0.915 -6.109 1.00 0.00 N ATOM 1064 CA VAL A 76 12.748 -2.181 -5.395 1.00 0.00 C ATOM 1065 C VAL A 76 11.466 -2.953 -5.713 1.00 0.00 C ATOM 1066 O VAL A 76 10.382 -2.374 -5.753 1.00 0.00 O ATOM 1067 CB VAL A 76 12.943 -1.935 -3.898 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.687 -1.322 -3.275 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.338 -3.226 -3.178 1.00 0.00 C ATOM 0 H VAL A 76 12.623 -0.092 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 76 13.587 -2.796 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 76 13.758 -1.221 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.852 -1.157 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.468 -0.371 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.845 -2.001 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.471 -3.024 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.554 -3.971 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.272 -3.604 -3.595 1.00 0.00 H new ATOM 1079 N ALA A 77 11.633 -4.250 -5.930 1.00 0.00 N ATOM 1080 CA ALA A 77 10.503 -5.108 -6.243 1.00 0.00 C ATOM 1081 C ALA A 77 9.839 -5.563 -4.942 1.00 0.00 C ATOM 1082 O ALA A 77 10.485 -6.172 -4.091 1.00 0.00 O ATOM 1083 CB ALA A 77 10.976 -6.284 -7.098 1.00 0.00 C ATOM 0 H ALA A 77 12.534 -4.727 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 77 9.757 -4.564 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.128 -6.928 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.414 -5.909 -8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.724 -6.856 -6.549 1.00 0.00 H new ATOM 1089 N LEU A 78 8.556 -5.250 -4.829 1.00 0.00 N ATOM 1090 CA LEU A 78 7.797 -5.619 -3.646 1.00 0.00 C ATOM 1091 C LEU A 78 6.745 -6.663 -4.026 1.00 0.00 C ATOM 1092 O LEU A 78 5.600 -6.585 -3.584 1.00 0.00 O ATOM 1093 CB LEU A 78 7.214 -4.375 -2.974 1.00 0.00 C ATOM 1094 CG LEU A 78 8.229 -3.378 -2.412 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.544 -2.343 -1.517 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.364 -4.102 -1.686 1.00 0.00 C ATOM 0 H LEU A 78 8.023 -4.745 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 78 8.449 -6.078 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.587 -3.855 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.563 -4.697 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 78 8.674 -2.837 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.288 -1.647 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.801 -1.795 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.054 -2.849 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.072 -3.370 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.955 -4.686 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.876 -4.766 -2.382 1.00 0.00 H new ATOM 1108 N GLN A 79 7.172 -7.617 -4.841 1.00 0.00 N ATOM 1109 CA GLN A 79 6.281 -8.675 -5.285 1.00 0.00 C ATOM 1110 C GLN A 79 6.585 -9.974 -4.536 1.00 0.00 C ATOM 1111 O GLN A 79 7.135 -10.912 -5.110 1.00 0.00 O ATOM 1112 CB GLN A 79 6.383 -8.879 -6.798 1.00 0.00 C ATOM 1113 CG GLN A 79 4.994 -8.968 -7.434 1.00 0.00 C ATOM 1114 CD GLN A 79 5.005 -8.401 -8.856 1.00 0.00 C ATOM 1115 OE1 GLN A 79 5.533 -7.333 -9.122 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.394 -9.172 -9.750 1.00 0.00 N ATOM 0 H GLN A 79 8.123 -7.679 -5.205 1.00 0.00 H new ATOM 0 HA GLN A 79 5.257 -8.379 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.939 -8.054 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.943 -9.790 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.666 -10.007 -7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.275 -8.419 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.973 -10.054 -9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.346 -8.881 -10.727 1.00 0.00 H new ATOM 1125 N GLY A 80 6.213 -9.987 -3.264 1.00 0.00 N ATOM 1126 CA GLY A 80 6.438 -11.155 -2.430 1.00 0.00 C ATOM 1127 C GLY A 80 7.188 -10.779 -1.151 1.00 0.00 C ATOM 1128 O GLY A 80 7.046 -11.442 -0.125 1.00 0.00 O ATOM 0 H GLY A 80 5.757 -9.207 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.483 -11.613 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.009 -11.898 -2.986 1.00 0.00 H new ATOM 1132 N ALA A 81 7.971 -9.715 -1.253 1.00 0.00 N ATOM 1133 CA ALA A 81 8.744 -9.242 -0.117 1.00 0.00 C ATOM 1134 C ALA A 81 7.847 -9.200 1.122 1.00 0.00 C ATOM 1135 O ALA A 81 6.669 -8.861 1.028 1.00 0.00 O ATOM 1136 CB ALA A 81 9.351 -7.876 -0.445 1.00 0.00 C ATOM 0 H ALA A 81 8.087 -9.167 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 81 9.569 -9.922 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.931 -7.521 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.002 -7.966 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.553 -7.166 -0.662 1.00 0.00 H new ATOM 1142 N GLU A 82 8.440 -9.548 2.254 1.00 0.00 N ATOM 1143 CA GLU A 82 7.710 -9.554 3.510 1.00 0.00 C ATOM 1144 C GLU A 82 7.440 -8.121 3.974 1.00 0.00 C ATOM 1145 O GLU A 82 7.962 -7.169 3.397 1.00 0.00 O ATOM 1146 CB GLU A 82 8.466 -10.344 4.581 1.00 0.00 C ATOM 1147 CG GLU A 82 8.417 -11.845 4.292 1.00 0.00 C ATOM 1148 CD GLU A 82 9.428 -12.603 5.155 1.00 0.00 C ATOM 1149 OE1 GLU A 82 9.350 -12.443 6.392 1.00 0.00 O ATOM 1150 OE2 GLU A 82 10.255 -13.326 4.558 1.00 0.00 O ATOM 0 H GLU A 82 9.418 -9.828 2.328 1.00 0.00 H new ATOM 0 HA GLU A 82 6.753 -10.050 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.503 -10.011 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.031 -10.144 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.413 -12.223 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.628 -12.023 3.238 1.00 0.00 H new ATOM 1157 N HIS A 83 6.624 -8.013 5.013 1.00 0.00 N ATOM 1158 CA HIS A 83 6.279 -6.713 5.561 1.00 0.00 C ATOM 1159 C HIS A 83 7.551 -5.888 5.768 1.00 0.00 C ATOM 1160 O HIS A 83 7.673 -4.785 5.239 1.00 0.00 O ATOM 1161 CB HIS A 83 5.455 -6.864 6.841 1.00 0.00 C ATOM 1162 CG HIS A 83 4.738 -5.604 7.263 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.420 -5.344 6.929 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.168 -4.536 7.995 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.083 -4.169 7.441 1.00 0.00 C ATOM 1166 NE2 HIS A 83 4.168 -3.670 8.101 1.00 0.00 N ATOM 0 H HIS A 83 6.192 -8.805 5.489 1.00 0.00 H new ATOM 0 HA HIS A 83 5.649 -6.173 4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.721 -7.656 6.697 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.113 -7.183 7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.155 -4.416 8.417 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.119 -3.690 7.352 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.204 -2.778 8.595 1.00 0.00 H new ATOM 1174 N HIS A 84 8.466 -6.457 6.539 1.00 0.00 N ATOM 1175 CA HIS A 84 9.725 -5.788 6.823 1.00 0.00 C ATOM 1176 C HIS A 84 10.387 -5.362 5.511 1.00 0.00 C ATOM 1177 O HIS A 84 10.730 -4.194 5.335 1.00 0.00 O ATOM 1178 CB HIS A 84 10.629 -6.674 7.683 1.00 0.00 C ATOM 1179 CG HIS A 84 11.231 -7.842 6.939 1.00 0.00 C ATOM 1180 ND1 HIS A 84 12.537 -7.847 6.482 1.00 0.00 N ATOM 1181 CD2 HIS A 84 10.692 -9.043 6.579 1.00 0.00 C ATOM 1182 CE1 HIS A 84 12.764 -9.003 5.875 1.00 0.00 C ATOM 1183 NE2 HIS A 84 11.619 -9.742 5.935 1.00 0.00 N ATOM 0 H HIS A 84 8.361 -7.373 6.976 1.00 0.00 H new ATOM 0 HA HIS A 84 9.538 -4.886 7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.434 -6.064 8.094 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.053 -7.052 8.527 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.683 -9.369 6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.692 -9.307 5.414 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.495 -10.678 5.549 1.00 0.00 H new ATOM 1191 N GLU A 85 10.547 -6.333 4.624 1.00 0.00 N ATOM 1192 CA GLU A 85 11.162 -6.073 3.333 1.00 0.00 C ATOM 1193 C GLU A 85 10.611 -4.777 2.734 1.00 0.00 C ATOM 1194 O GLU A 85 11.374 -3.910 2.311 1.00 0.00 O ATOM 1195 CB GLU A 85 10.953 -7.250 2.379 1.00 0.00 C ATOM 1196 CG GLU A 85 11.691 -8.495 2.875 1.00 0.00 C ATOM 1197 CD GLU A 85 12.406 -9.204 1.722 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.418 -8.642 1.250 1.00 0.00 O ATOM 1199 OE2 GLU A 85 11.924 -10.292 1.339 1.00 0.00 O ATOM 0 H GLU A 85 10.262 -7.301 4.774 1.00 0.00 H new ATOM 0 HA GLU A 85 12.235 -5.954 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.888 -7.466 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.309 -6.984 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.416 -8.213 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.984 -9.179 3.344 1.00 0.00 H new ATOM 1206 N ALA A 86 9.289 -4.686 2.716 1.00 0.00 N ATOM 1207 CA ALA A 86 8.627 -3.511 2.176 1.00 0.00 C ATOM 1208 C ALA A 86 9.032 -2.282 2.992 1.00 0.00 C ATOM 1209 O ALA A 86 9.565 -1.318 2.446 1.00 0.00 O ATOM 1210 CB ALA A 86 7.113 -3.735 2.171 1.00 0.00 C ATOM 0 H ALA A 86 8.659 -5.407 3.067 1.00 0.00 H new ATOM 0 HA ALA A 86 8.934 -3.337 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.616 -2.853 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.875 -4.601 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.768 -3.910 3.190 1.00 0.00 H new ATOM 1216 N VAL A 87 8.763 -2.357 4.288 1.00 0.00 N ATOM 1217 CA VAL A 87 9.092 -1.263 5.185 1.00 0.00 C ATOM 1218 C VAL A 87 10.475 -0.715 4.827 1.00 0.00 C ATOM 1219 O VAL A 87 10.633 0.485 4.604 1.00 0.00 O ATOM 1220 CB VAL A 87 8.991 -1.729 6.639 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.542 -0.669 7.594 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.550 -2.096 6.998 1.00 0.00 C ATOM 0 H VAL A 87 8.321 -3.159 4.738 1.00 0.00 H new ATOM 0 HA VAL A 87 8.379 -0.447 5.070 1.00 0.00 H new ATOM 0 HB VAL A 87 9.601 -2.626 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.458 -1.025 8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.589 -0.478 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.972 0.253 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.506 -2.424 8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.909 -1.225 6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.207 -2.901 6.348 1.00 0.00 H new ATOM 1232 N GLU A 88 11.442 -1.620 4.785 1.00 0.00 N ATOM 1233 CA GLU A 88 12.807 -1.242 4.459 1.00 0.00 C ATOM 1234 C GLU A 88 12.826 -0.335 3.227 1.00 0.00 C ATOM 1235 O GLU A 88 13.456 0.722 3.239 1.00 0.00 O ATOM 1236 CB GLU A 88 13.681 -2.478 4.243 1.00 0.00 C ATOM 1237 CG GLU A 88 14.976 -2.383 5.052 1.00 0.00 C ATOM 1238 CD GLU A 88 16.012 -1.519 4.331 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.594 -0.484 3.768 1.00 0.00 O ATOM 1240 OE2 GLU A 88 17.197 -1.913 4.358 1.00 0.00 O ATOM 0 H GLU A 88 11.307 -2.614 4.971 1.00 0.00 H new ATOM 0 HA GLU A 88 13.221 -0.687 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.131 -3.372 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.917 -2.580 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.765 -1.960 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.381 -3.382 5.215 1.00 0.00 H new ATOM 1247 N ALA A 89 12.128 -0.780 2.192 1.00 0.00 N ATOM 1248 CA ALA A 89 12.057 -0.021 0.955 1.00 0.00 C ATOM 1249 C ALA A 89 11.285 1.276 1.201 1.00 0.00 C ATOM 1250 O ALA A 89 11.716 2.349 0.781 1.00 0.00 O ATOM 1251 CB ALA A 89 11.418 -0.883 -0.136 1.00 0.00 C ATOM 0 H ALA A 89 11.607 -1.657 2.185 1.00 0.00 H new ATOM 0 HA ALA A 89 13.056 0.251 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.364 -0.314 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.021 -1.777 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.413 -1.172 0.171 1.00 0.00 H new ATOM 1257 N LEU A 90 10.156 1.135 1.880 1.00 0.00 N ATOM 1258 CA LEU A 90 9.319 2.283 2.186 1.00 0.00 C ATOM 1259 C LEU A 90 10.162 3.352 2.884 1.00 0.00 C ATOM 1260 O LEU A 90 10.175 4.509 2.466 1.00 0.00 O ATOM 1261 CB LEU A 90 8.089 1.850 2.987 1.00 0.00 C ATOM 1262 CG LEU A 90 6.910 1.318 2.171 1.00 0.00 C ATOM 1263 CD1 LEU A 90 5.880 0.636 3.074 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.283 2.429 1.325 1.00 0.00 C ATOM 0 H LEU A 90 9.801 0.244 2.227 1.00 0.00 H new ATOM 0 HA LEU A 90 8.934 2.729 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.394 1.078 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.744 2.701 3.574 1.00 0.00 H new ATOM 0 HG LEU A 90 7.286 0.561 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.052 0.267 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.349 -0.199 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.504 1.353 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.447 2.024 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.925 3.225 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.030 2.830 0.640 1.00 0.00 H new ATOM 1276 N ARG A 91 10.847 2.927 3.936 1.00 0.00 N ATOM 1277 CA ARG A 91 11.691 3.833 4.695 1.00 0.00 C ATOM 1278 C ARG A 91 12.915 4.235 3.870 1.00 0.00 C ATOM 1279 O ARG A 91 13.504 5.290 4.101 1.00 0.00 O ATOM 1280 CB ARG A 91 12.156 3.188 6.003 1.00 0.00 C ATOM 1281 CG ARG A 91 13.583 2.654 5.874 1.00 0.00 C ATOM 1282 CD ARG A 91 13.961 1.801 7.087 1.00 0.00 C ATOM 1283 NE ARG A 91 15.095 2.422 7.808 1.00 0.00 N ATOM 1284 CZ ARG A 91 15.436 2.123 9.069 1.00 0.00 C ATOM 1285 NH1 ARG A 91 14.734 1.212 9.755 1.00 0.00 N ATOM 1286 NH2 ARG A 91 16.480 2.737 9.643 1.00 0.00 N ATOM 0 H ARG A 91 10.834 1.967 4.280 1.00 0.00 H new ATOM 0 HA ARG A 91 11.100 4.718 4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.109 3.919 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.482 2.374 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.672 2.059 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.280 3.487 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.105 1.703 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.231 0.795 6.765 1.00 0.00 H new ATOM 0 HE ARG A 91 15.651 3.120 7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.939 0.745 9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.994 0.985 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 91 17.014 3.431 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 91 16.740 2.510 10.603 1.00 0.00 H new ATOM 1300 N GLY A 92 13.262 3.373 2.926 1.00 0.00 N ATOM 1301 CA GLY A 92 14.405 3.626 2.065 1.00 0.00 C ATOM 1302 C GLY A 92 13.982 4.363 0.793 1.00 0.00 C ATOM 1303 O GLY A 92 13.611 3.735 -0.198 1.00 0.00 O ATOM 0 H GLY A 92 12.772 2.498 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.146 4.218 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.882 2.682 1.801 1.00 0.00 H new ATOM 1307 N ALA A 93 14.051 5.684 0.862 1.00 0.00 N ATOM 1308 CA ALA A 93 13.680 6.513 -0.272 1.00 0.00 C ATOM 1309 C ALA A 93 13.954 7.981 0.063 1.00 0.00 C ATOM 1310 O ALA A 93 13.668 8.432 1.171 1.00 0.00 O ATOM 1311 CB ALA A 93 12.214 6.261 -0.630 1.00 0.00 C ATOM 0 H ALA A 93 14.358 6.201 1.686 1.00 0.00 H new ATOM 0 HA ALA A 93 14.278 6.257 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.935 6.883 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.078 5.211 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.583 6.510 0.223 1.00 0.00 H new ATOM 1317 N GLY A 94 14.506 8.684 -0.914 1.00 0.00 N ATOM 1318 CA GLY A 94 14.823 10.091 -0.737 1.00 0.00 C ATOM 1319 C GLY A 94 13.567 10.956 -0.863 1.00 0.00 C ATOM 1320 O GLY A 94 12.449 10.449 -0.781 1.00 0.00 O ATOM 0 H GLY A 94 14.742 8.306 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.278 10.245 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.557 10.399 -1.482 1.00 0.00 H new ATOM 1324 N THR A 95 13.793 12.246 -1.062 1.00 0.00 N ATOM 1325 CA THR A 95 12.694 13.186 -1.200 1.00 0.00 C ATOM 1326 C THR A 95 11.555 12.559 -2.008 1.00 0.00 C ATOM 1327 O THR A 95 10.574 12.083 -1.438 1.00 0.00 O ATOM 1328 CB THR A 95 13.245 14.470 -1.823 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.726 14.058 -3.100 1.00 0.00 O ATOM 1330 CG2 THR A 95 14.494 14.981 -1.102 1.00 0.00 C ATOM 0 H THR A 95 14.722 12.663 -1.131 1.00 0.00 H new ATOM 0 HA THR A 95 12.264 13.437 -0.230 1.00 0.00 H new ATOM 0 HB THR A 95 12.475 15.241 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.100 14.830 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.844 15.894 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.252 15.190 -0.060 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.276 14.223 -1.148 1.00 0.00 H new ATOM 1338 N ALA A 96 11.723 12.580 -3.322 1.00 0.00 N ATOM 1339 CA ALA A 96 10.722 12.020 -4.213 1.00 0.00 C ATOM 1340 C ALA A 96 10.746 10.494 -4.105 1.00 0.00 C ATOM 1341 O ALA A 96 11.746 9.860 -4.438 1.00 0.00 O ATOM 1342 CB ALA A 96 10.978 12.507 -5.640 1.00 0.00 C ATOM 0 H ALA A 96 12.538 12.976 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 96 9.725 12.355 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.227 12.086 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.921 13.595 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.969 12.187 -5.961 1.00 0.00 H new ATOM 1348 N VAL A 97 9.632 9.948 -3.639 1.00 0.00 N ATOM 1349 CA VAL A 97 9.513 8.508 -3.483 1.00 0.00 C ATOM 1350 C VAL A 97 8.552 7.963 -4.541 1.00 0.00 C ATOM 1351 O VAL A 97 7.371 8.305 -4.548 1.00 0.00 O ATOM 1352 CB VAL A 97 9.082 8.170 -2.054 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.832 6.669 -1.897 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.116 8.663 -1.039 1.00 0.00 C ATOM 0 H VAL A 97 8.804 10.477 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 97 10.478 8.026 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 97 8.144 8.688 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.527 6.456 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.044 6.358 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.747 6.122 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.786 8.410 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.076 8.186 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.224 9.744 -1.125 1.00 0.00 H new ATOM 1364 N GLN A 98 9.095 7.122 -5.410 1.00 0.00 N ATOM 1365 CA GLN A 98 8.301 6.526 -6.471 1.00 0.00 C ATOM 1366 C GLN A 98 7.791 5.149 -6.042 1.00 0.00 C ATOM 1367 O GLN A 98 8.559 4.325 -5.548 1.00 0.00 O ATOM 1368 CB GLN A 98 9.103 6.434 -7.771 1.00 0.00 C ATOM 1369 CG GLN A 98 8.212 6.703 -8.985 1.00 0.00 C ATOM 1370 CD GLN A 98 8.983 6.492 -10.289 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.094 5.391 -10.804 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.509 7.604 -10.793 1.00 0.00 N ATOM 0 H GLN A 98 10.075 6.840 -5.401 1.00 0.00 H new ATOM 0 HA GLN A 98 7.441 7.168 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.921 7.154 -7.749 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.551 5.444 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.346 6.041 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.833 7.724 -8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.379 8.494 -10.311 1.00 0.00 H new ATOM 0 HE22 GLN A 98 10.043 7.568 -11.661 1.00 0.00 H new ATOM 1381 N MET A 99 6.499 4.941 -6.248 1.00 0.00 N ATOM 1382 CA MET A 99 5.878 3.678 -5.888 1.00 0.00 C ATOM 1383 C MET A 99 4.987 3.163 -7.021 1.00 0.00 C ATOM 1384 O MET A 99 4.012 3.814 -7.394 1.00 0.00 O ATOM 1385 CB MET A 99 5.038 3.863 -4.623 1.00 0.00 C ATOM 1386 CG MET A 99 5.932 4.055 -3.396 1.00 0.00 C ATOM 1387 SD MET A 99 5.135 3.379 -1.948 1.00 0.00 S ATOM 1388 CE MET A 99 4.333 4.846 -1.323 1.00 0.00 C ATOM 0 H MET A 99 5.865 5.626 -6.660 1.00 0.00 H new ATOM 0 HA MET A 99 6.666 2.946 -5.708 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.383 4.727 -4.740 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.396 2.994 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.892 3.564 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.137 5.115 -3.247 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.646 4.572 -0.522 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.084 5.535 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.778 5.328 -2.128 1.00 0.00 H new ATOM 1398 N ARG A 100 5.354 1.999 -7.537 1.00 0.00 N ATOM 1399 CA ARG A 100 4.601 1.390 -8.620 1.00 0.00 C ATOM 1400 C ARG A 100 3.475 0.518 -8.059 1.00 0.00 C ATOM 1401 O ARG A 100 3.725 -0.575 -7.553 1.00 0.00 O ATOM 1402 CB ARG A 100 5.506 0.532 -9.507 1.00 0.00 C ATOM 1403 CG ARG A 100 4.766 0.074 -10.765 1.00 0.00 C ATOM 1404 CD ARG A 100 5.541 -1.033 -11.483 1.00 0.00 C ATOM 1405 NE ARG A 100 5.727 -0.678 -12.908 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.664 0.169 -13.355 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.506 0.753 -12.491 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.759 0.432 -14.665 1.00 0.00 N ATOM 0 H ARG A 100 6.163 1.462 -7.225 1.00 0.00 H new ATOM 0 HA ARG A 100 4.178 2.194 -9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.391 1.102 -9.789 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.851 -0.337 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.773 -0.287 -10.496 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.626 0.920 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.510 -1.178 -11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.002 -1.977 -11.402 1.00 0.00 H new ATOM 0 HE ARG A 100 5.103 -1.105 -13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.433 0.553 -11.494 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.219 1.398 -12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.118 -0.013 -15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.472 1.077 -15.005 1.00 0.00 H new ATOM 1422 N VAL A 101 2.260 1.035 -8.167 1.00 0.00 N ATOM 1423 CA VAL A 101 1.095 0.318 -7.677 1.00 0.00 C ATOM 1424 C VAL A 101 0.369 -0.332 -8.855 1.00 0.00 C ATOM 1425 O VAL A 101 0.647 -0.017 -10.011 1.00 0.00 O ATOM 1426 CB VAL A 101 0.201 1.262 -6.870 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.955 1.839 -5.670 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.358 2.377 -7.755 1.00 0.00 C ATOM 0 H VAL A 101 2.057 1.942 -8.587 1.00 0.00 H new ATOM 0 HA VAL A 101 1.395 -0.482 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.641 0.683 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.297 2.506 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.281 1.027 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.824 2.395 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.990 3.034 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.465 2.952 -8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.948 1.941 -8.561 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.549 -1.228 -8.522 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.318 -1.926 -9.539 1.00 0.00 C ATOM 1440 C TRP A 102 -2.798 -1.615 -9.308 1.00 0.00 C ATOM 1441 O TRP A 102 -3.313 -1.813 -8.208 1.00 0.00 O ATOM 1442 CB TRP A 102 -1.012 -3.425 -9.525 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.456 -4.162 -10.790 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.144 -3.879 -12.063 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.311 -5.323 -10.854 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.732 -4.769 -12.938 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.465 -5.675 -12.179 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.934 -6.051 -9.825 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.238 -6.764 -12.598 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.703 -7.137 -10.261 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.868 -7.505 -11.591 1.00 0.00 C ATOM 0 H TRP A 102 -0.778 -1.487 -7.562 1.00 0.00 H new ATOM 0 HA TRP A 102 -1.042 -1.583 -10.536 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.061 -3.565 -9.393 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.501 -3.877 -8.662 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.512 -3.057 -12.365 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.645 -4.764 -13.954 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.828 -5.793 -8.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.343 -7.019 -13.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.203 -7.731 -9.510 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.479 -8.358 -11.846 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.441 -1.135 -10.362 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.852 -0.795 -10.288 1.00 0.00 C ATOM 1464 C ARG A 103 -5.477 -0.819 -11.684 1.00 0.00 C ATOM 1465 O ARG A 103 -4.780 -0.658 -12.684 1.00 0.00 O ATOM 1466 CB ARG A 103 -5.053 0.590 -9.670 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.508 0.794 -9.245 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.727 2.206 -8.697 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.974 2.151 -7.239 1.00 0.00 N ATOM 1470 CZ ARG A 103 -8.156 1.844 -6.689 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -9.207 1.564 -7.471 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.288 1.818 -5.355 1.00 0.00 N ATOM 0 H ARG A 103 -3.011 -0.973 -11.273 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.339 -1.537 -9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.398 0.705 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.769 1.358 -10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.166 0.625 -10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.775 0.060 -8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.853 2.824 -8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.574 2.673 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.196 2.360 -6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.107 1.585 -8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.107 1.330 -7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.488 2.032 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.188 1.584 -4.936 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.787 -1.022 -11.707 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.514 -1.070 -12.964 1.00 0.00 C ATOM 1488 C GLU A 104 -7.957 0.336 -13.375 1.00 0.00 C ATOM 1489 O GLU A 104 -8.600 1.040 -12.597 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.713 -2.016 -12.868 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.298 -2.301 -14.253 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.802 -2.570 -14.168 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.180 -3.415 -13.328 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.539 -1.925 -14.944 1.00 0.00 O ATOM 0 H GLU A 104 -7.363 -1.155 -10.876 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.846 -1.459 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.407 -2.951 -12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.479 -1.575 -12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.113 -1.452 -14.911 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.795 -3.162 -14.694 1.00 0.00 H new