USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 CYS SG : rot 108:sc= -0.583 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -147:sc= -0.0935 (180deg=-0.339) USER MOD Set 2.2: A 114 GLN : amide:sc= 0 X(o=-0.094,f=-0.098) USER MOD Single : A 11 GLN : amide:sc= -0.326 K(o=-0.33,f=-4.3!) USER MOD Single : A 12 GLN : amide:sc= -4.38 K(o=-4.4,f=-1.5!) USER MOD Single : A 25 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.044) USER MOD Single : A 26 TYR OH : rot 0:sc= -0.101 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.6) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.115 (180deg=-0.441) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 40 HIS : no HD1:sc= -10.1! C(o=-10!,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -3.53 K(o=-3.5,f=-4.8!) USER MOD Single : A 50 MET CE :methyl 153:sc= -3.88 (180deg=-5.94!) USER MOD Single : A 53 HIS : no HD1:sc= -3.2 K(o=-3.2,f=-4.1!) USER MOD Single : A 56 LYS NZ :NH3+ -111:sc= -1.06 (180deg=-3.09!) USER MOD Single : A 68 MET CE :methyl -179:sc= -1.32 (180deg=-1.35) USER MOD Single : A 70 MET CE :methyl 168:sc= -4.37 (180deg=-5.97!) USER MOD Single : A 74 ASN : amide:sc= 0.182 K(o=0.18,f=-1.4) USER MOD Single : A 78 THR OG1 : rot -56:sc= -0.28 USER MOD Single : A 81 THR OG1 : rot -136:sc= 0.464 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= -0.0989 (180deg=-0.26) USER MOD Single : A 92 GLN : amide:sc= -0.0499 K(o=-0.05,f=-0.93) USER MOD Single : A 100 CYS SG : rot 137:sc= -3.28 USER MOD Single : A 104 GLN : amide:sc= -0.727 K(o=-0.73,f=-0.016) USER MOD Single : A 105 TYR OH : rot 104:sc= 0.0767 USER MOD Single : A 107 GLN : amide:sc= -6.84! C(o=-6.8!,f=-5.8!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -34:sc= -0.268 USER MOD Single : A 118 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 124:sc= -1.72! USER MOD Single : A 123 MET CE :methyl -144:sc= -5.96 (180deg=-8.86!) USER MOD Single : A 125 GLN : amide:sc= -0.925 K(o=-0.92,f=-0.21) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD ----------------------------------------------------------------- ATOM 156 N ARG A 10 7.624 16.767 3.614 1.00 0.00 N ATOM 157 CA ARG A 10 8.121 15.629 4.377 1.00 0.00 C ATOM 158 C ARG A 10 8.726 14.579 3.451 1.00 0.00 C ATOM 159 O ARG A 10 8.816 14.783 2.241 1.00 0.00 O ATOM 160 CB ARG A 10 6.993 15.012 5.206 1.00 0.00 C ATOM 161 CG ARG A 10 7.396 14.683 6.633 1.00 0.00 C ATOM 162 CD ARG A 10 6.181 14.468 7.522 1.00 0.00 C ATOM 163 NE ARG A 10 6.278 15.217 8.772 1.00 0.00 N ATOM 164 CZ ARG A 10 6.030 16.521 8.876 1.00 0.00 C ATOM 165 NH1 ARG A 10 5.667 17.221 7.808 1.00 0.00 N ATOM 166 NH2 ARG A 10 6.141 17.126 10.050 1.00 0.00 N ATOM 0 HA ARG A 10 8.901 15.985 5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.149 15.702 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.649 14.101 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.015 13.786 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.004 15.493 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.282 14.772 6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.077 13.406 7.743 1.00 0.00 H new ATOM 0 HE ARG A 10 6.552 14.712 9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.577 16.760 6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.478 18.220 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.417 16.593 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.951 18.125 10.129 1.00 0.00 H new ATOM 180 N GLN A 11 9.135 13.454 4.028 1.00 0.00 N ATOM 181 CA GLN A 11 9.726 12.372 3.251 1.00 0.00 C ATOM 182 C GLN A 11 8.642 11.521 2.596 1.00 0.00 C ATOM 183 O GLN A 11 7.621 11.219 3.213 1.00 0.00 O ATOM 184 CB GLN A 11 10.612 11.498 4.146 1.00 0.00 C ATOM 185 CG GLN A 11 12.077 11.506 3.743 1.00 0.00 C ATOM 186 CD GLN A 11 12.745 12.844 4.002 1.00 0.00 C ATOM 187 OE1 GLN A 11 12.145 13.900 3.801 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.994 12.804 4.450 1.00 0.00 N ATOM 0 H GLN A 11 9.068 13.268 5.029 1.00 0.00 H new ATOM 0 HA GLN A 11 10.340 12.812 2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.525 11.842 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.242 10.473 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.606 10.727 4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.160 11.261 2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.453 11.906 4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.495 13.672 4.642 1.00 0.00 H new ATOM 197 N GLN A 12 8.870 11.142 1.344 1.00 0.00 N ATOM 198 CA GLN A 12 7.912 10.331 0.605 1.00 0.00 C ATOM 199 C GLN A 12 8.566 9.058 0.077 1.00 0.00 C ATOM 200 O GLN A 12 9.472 9.113 -0.754 1.00 0.00 O ATOM 201 CB GLN A 12 7.327 11.132 -0.560 1.00 0.00 C ATOM 202 CG GLN A 12 6.186 12.052 -0.155 1.00 0.00 C ATOM 203 CD GLN A 12 6.631 13.158 0.780 1.00 0.00 C ATOM 204 OE1 GLN A 12 7.327 14.088 0.375 1.00 0.00 O ATOM 205 NE2 GLN A 12 6.226 13.064 2.042 1.00 0.00 N ATOM 0 H GLN A 12 9.711 11.384 0.820 1.00 0.00 H new ATOM 0 HA GLN A 12 7.110 10.051 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.119 11.728 -1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.971 10.440 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.745 12.493 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.405 11.465 0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.649 12.275 2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.492 13.781 2.718 1.00 0.00 H new ATOM 214 N ARG A 13 8.103 7.912 0.566 1.00 0.00 N ATOM 215 CA ARG A 13 8.649 6.628 0.142 1.00 0.00 C ATOM 216 C ARG A 13 7.532 5.630 -0.157 1.00 0.00 C ATOM 217 O ARG A 13 6.616 5.448 0.643 1.00 0.00 O ATOM 218 CB ARG A 13 9.581 6.063 1.216 1.00 0.00 C ATOM 219 CG ARG A 13 10.496 7.104 1.843 1.00 0.00 C ATOM 220 CD ARG A 13 11.711 7.374 0.971 1.00 0.00 C ATOM 221 NE ARG A 13 12.800 7.989 1.725 1.00 0.00 N ATOM 222 CZ ARG A 13 13.484 7.365 2.683 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.193 6.111 3.005 1.00 0.00 N ATOM 224 NH2 ARG A 13 14.462 7.997 3.317 1.00 0.00 N ATOM 0 H ARG A 13 7.353 7.846 1.254 1.00 0.00 H new ATOM 0 HA ARG A 13 9.219 6.791 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.980 5.602 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.191 5.274 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.943 8.031 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.821 6.760 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.057 6.438 0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.427 8.027 0.146 1.00 0.00 H new ATOM 0 HE ARG A 13 13.052 8.953 1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.443 5.620 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.720 5.638 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.690 8.960 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.986 7.520 4.051 1.00 0.00 H new ATOM 238 N PHE A 14 7.622 4.987 -1.316 1.00 0.00 N ATOM 239 CA PHE A 14 6.628 4.001 -1.732 1.00 0.00 C ATOM 240 C PHE A 14 7.297 2.654 -1.980 1.00 0.00 C ATOM 241 O PHE A 14 8.373 2.597 -2.572 1.00 0.00 O ATOM 242 CB PHE A 14 5.910 4.460 -3.006 1.00 0.00 C ATOM 243 CG PHE A 14 5.695 5.947 -3.093 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.771 6.810 -3.246 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.419 6.482 -3.027 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.575 8.175 -3.328 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.217 7.845 -3.109 1.00 0.00 C ATOM 248 CZ PHE A 14 5.297 8.695 -3.259 1.00 0.00 C ATOM 0 H PHE A 14 8.376 5.131 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 14 5.894 3.899 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.488 4.137 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.943 3.961 -3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.773 6.410 -3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.571 5.824 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.421 8.836 -3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.216 8.247 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.142 9.762 -3.322 1.00 0.00 H new ATOM 258 N PHE A 15 6.667 1.572 -1.528 1.00 0.00 N ATOM 259 CA PHE A 15 7.236 0.238 -1.717 1.00 0.00 C ATOM 260 C PHE A 15 6.159 -0.812 -1.972 1.00 0.00 C ATOM 261 O PHE A 15 4.970 -0.574 -1.757 1.00 0.00 O ATOM 262 CB PHE A 15 8.062 -0.182 -0.497 1.00 0.00 C ATOM 263 CG PHE A 15 8.653 0.963 0.276 1.00 0.00 C ATOM 264 CD1 PHE A 15 7.846 1.789 1.039 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.018 1.203 0.246 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.388 2.838 1.757 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.565 2.249 0.962 1.00 0.00 C ATOM 268 CZ PHE A 15 9.749 3.067 1.720 1.00 0.00 C ATOM 0 H PHE A 15 5.774 1.590 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 15 7.879 0.296 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.430 -0.767 0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.869 -0.836 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.781 1.612 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.660 0.565 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.748 3.478 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.630 2.428 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.175 3.884 2.283 1.00 0.00 H new ATOM 278 N ARG A 16 6.605 -1.984 -2.417 1.00 0.00 N ATOM 279 CA ARG A 16 5.715 -3.106 -2.692 1.00 0.00 C ATOM 280 C ARG A 16 6.452 -4.417 -2.433 1.00 0.00 C ATOM 281 O ARG A 16 7.679 -4.471 -2.522 1.00 0.00 O ATOM 282 CB ARG A 16 5.204 -3.059 -4.136 1.00 0.00 C ATOM 283 CG ARG A 16 6.226 -3.509 -5.171 1.00 0.00 C ATOM 284 CD ARG A 16 5.788 -3.144 -6.581 1.00 0.00 C ATOM 285 NE ARG A 16 5.078 -4.240 -7.235 1.00 0.00 N ATOM 286 CZ ARG A 16 4.710 -4.225 -8.513 1.00 0.00 C ATOM 287 NH1 ARG A 16 4.980 -3.174 -9.279 1.00 0.00 N ATOM 288 NH2 ARG A 16 4.069 -5.264 -9.032 1.00 0.00 N ATOM 0 H ARG A 16 7.590 -2.181 -2.596 1.00 0.00 H new ATOM 0 HA ARG A 16 4.852 -3.039 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.318 -3.689 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.893 -2.040 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.190 -3.047 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.367 -4.588 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.144 -2.266 -6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.662 -2.874 -7.173 1.00 0.00 H new ATOM 0 HE ARG A 16 4.851 -5.065 -6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.473 -2.371 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.695 -3.170 -10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.858 -6.075 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.787 -5.252 -10.012 1.00 0.00 H new ATOM 302 N ILE A 17 5.712 -5.469 -2.104 1.00 0.00 N ATOM 303 CA ILE A 17 6.332 -6.760 -1.829 1.00 0.00 C ATOM 304 C ILE A 17 5.374 -7.916 -2.112 1.00 0.00 C ATOM 305 O ILE A 17 4.363 -8.079 -1.428 1.00 0.00 O ATOM 306 CB ILE A 17 6.832 -6.856 -0.365 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.153 -5.797 0.518 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.346 -6.703 -0.314 1.00 0.00 C ATOM 309 CD1 ILE A 17 6.797 -5.635 1.881 1.00 0.00 C ATOM 0 H ILE A 17 4.695 -5.456 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 17 7.188 -6.838 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 17 6.566 -7.839 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.173 -4.838 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.105 -6.065 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.684 -6.772 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.812 -7.494 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.628 -5.733 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.264 -4.871 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.753 -6.582 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.838 -5.335 1.758 1.00 0.00 H new ATOM 321 N PRO A 18 5.683 -8.742 -3.132 1.00 0.00 N ATOM 322 CA PRO A 18 4.860 -9.887 -3.505 1.00 0.00 C ATOM 323 C PRO A 18 5.233 -11.143 -2.726 1.00 0.00 C ATOM 324 O PRO A 18 6.195 -11.829 -3.066 1.00 0.00 O ATOM 325 CB PRO A 18 5.196 -10.063 -4.982 1.00 0.00 C ATOM 326 CG PRO A 18 6.628 -9.655 -5.087 1.00 0.00 C ATOM 327 CD PRO A 18 6.868 -8.626 -4.007 1.00 0.00 C ATOM 0 HA PRO A 18 3.802 -9.728 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.052 -11.095 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.559 -9.442 -5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.286 -10.514 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.840 -9.239 -6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.789 -8.829 -3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.959 -7.623 -4.424 1.00 0.00 H new ATOM 335 N PHE A 19 4.471 -11.441 -1.679 1.00 0.00 N ATOM 336 CA PHE A 19 4.737 -12.618 -0.861 1.00 0.00 C ATOM 337 C PHE A 19 3.561 -13.586 -0.895 1.00 0.00 C ATOM 338 O PHE A 19 2.400 -13.173 -0.903 1.00 0.00 O ATOM 339 CB PHE A 19 5.043 -12.212 0.582 1.00 0.00 C ATOM 340 CG PHE A 19 3.889 -11.560 1.287 1.00 0.00 C ATOM 341 CD1 PHE A 19 3.500 -10.272 0.958 1.00 0.00 C ATOM 342 CD2 PHE A 19 3.195 -12.233 2.280 1.00 0.00 C ATOM 343 CE1 PHE A 19 2.440 -9.668 1.605 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.134 -11.633 2.930 1.00 0.00 C ATOM 345 CZ PHE A 19 1.756 -10.349 2.592 1.00 0.00 C ATOM 0 H PHE A 19 3.669 -10.887 -1.378 1.00 0.00 H new ATOM 0 HA PHE A 19 5.609 -13.123 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.345 -13.097 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.891 -11.528 0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.032 -9.734 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.487 -13.238 2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.146 -8.663 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.601 -12.168 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.927 -9.878 3.099 1.00 0.00 H new ATOM 355 N ILE A 20 3.870 -14.878 -0.920 1.00 0.00 N ATOM 356 CA ILE A 20 2.845 -15.910 -0.957 1.00 0.00 C ATOM 357 C ILE A 20 2.387 -16.282 0.446 1.00 0.00 C ATOM 358 O ILE A 20 3.172 -16.256 1.393 1.00 0.00 O ATOM 359 CB ILE A 20 3.352 -17.185 -1.658 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.090 -16.830 -2.945 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.198 -18.130 -1.950 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.610 -18.041 -3.690 1.00 0.00 C ATOM 0 H ILE A 20 4.826 -15.234 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 20 2.008 -15.496 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 20 4.048 -17.690 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.420 -16.271 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.926 -16.172 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.576 -19.024 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.712 -18.411 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.477 -17.634 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.124 -17.718 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.305 -18.589 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.776 -18.689 -3.958 1.00 0.00 H new ATOM 374 N ARG A 21 1.118 -16.640 0.568 1.00 0.00 N ATOM 375 CA ARG A 21 0.561 -17.034 1.853 1.00 0.00 C ATOM 376 C ARG A 21 1.151 -18.373 2.289 1.00 0.00 C ATOM 377 O ARG A 21 1.227 -19.309 1.494 1.00 0.00 O ATOM 378 CB ARG A 21 -0.965 -17.126 1.770 1.00 0.00 C ATOM 379 CG ARG A 21 -1.679 -16.050 2.571 1.00 0.00 C ATOM 380 CD ARG A 21 -3.128 -15.899 2.135 1.00 0.00 C ATOM 381 NE ARG A 21 -3.933 -15.214 3.147 1.00 0.00 N ATOM 382 CZ ARG A 21 -5.090 -14.608 2.888 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.586 -14.604 1.657 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.753 -14.007 3.866 1.00 0.00 N ATOM 0 H ARG A 21 0.455 -16.666 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 21 0.819 -16.277 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.270 -17.054 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.283 -18.106 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.641 -16.299 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.160 -15.099 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.169 -15.341 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.553 -16.883 1.938 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.588 -15.200 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.080 -15.067 0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.473 -14.138 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.377 -14.010 4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.640 -13.542 3.671 1.00 0.00 H new ATOM 398 N PRO A 22 1.585 -18.485 3.554 1.00 0.00 N ATOM 399 CA PRO A 22 2.177 -19.718 4.077 1.00 0.00 C ATOM 400 C PRO A 22 1.258 -20.922 3.909 1.00 0.00 C ATOM 401 O PRO A 22 1.674 -21.973 3.419 1.00 0.00 O ATOM 402 CB PRO A 22 2.404 -19.420 5.568 1.00 0.00 C ATOM 403 CG PRO A 22 1.592 -18.202 5.857 1.00 0.00 C ATOM 404 CD PRO A 22 1.541 -17.427 4.575 1.00 0.00 C ATOM 0 HA PRO A 22 3.091 -19.979 3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.089 -20.259 6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.460 -19.247 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.590 -18.471 6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.045 -17.611 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.633 -16.829 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.383 -16.741 4.483 1.00 0.00 H new ATOM 412 N ALA A 23 0.006 -20.764 4.316 1.00 0.00 N ATOM 413 CA ALA A 23 -0.973 -21.838 4.215 1.00 0.00 C ATOM 414 C ALA A 23 -1.010 -22.421 2.813 1.00 0.00 C ATOM 415 O ALA A 23 -0.778 -23.613 2.622 1.00 0.00 O ATOM 416 CB ALA A 23 -2.350 -21.336 4.620 1.00 0.00 C ATOM 0 H ALA A 23 -0.356 -19.900 4.720 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.673 -22.633 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.072 -22.149 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.319 -20.979 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.648 -20.520 3.962 1.00 0.00 H new ATOM 422 N ASP A 24 -1.298 -21.569 1.840 1.00 0.00 N ATOM 423 CA ASP A 24 -1.367 -21.985 0.440 1.00 0.00 C ATOM 424 C ASP A 24 0.018 -22.331 -0.099 1.00 0.00 C ATOM 425 O ASP A 24 0.166 -23.169 -0.991 1.00 0.00 O ATOM 426 CB ASP A 24 -1.995 -20.878 -0.411 1.00 0.00 C ATOM 427 CG ASP A 24 -3.159 -20.196 0.285 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.713 -20.790 1.234 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.516 -19.071 -0.123 1.00 0.00 O ATOM 0 H ASP A 24 -1.489 -20.579 1.992 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.990 -22.878 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.235 -20.135 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.338 -21.301 -1.355 1.00 0.00 H new ATOM 434 N GLN A 25 1.025 -21.661 0.447 1.00 0.00 N ATOM 435 CA GLN A 25 2.411 -21.850 0.039 1.00 0.00 C ATOM 436 C GLN A 25 2.844 -23.315 0.085 1.00 0.00 C ATOM 437 O GLN A 25 3.498 -23.800 -0.838 1.00 0.00 O ATOM 438 CB GLN A 25 3.319 -20.984 0.930 1.00 0.00 C ATOM 439 CG GLN A 25 4.758 -21.469 1.064 1.00 0.00 C ATOM 440 CD GLN A 25 5.729 -20.640 0.245 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.480 -21.171 -0.573 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.721 -19.331 0.466 1.00 0.00 N ATOM 0 H GLN A 25 0.903 -20.970 1.187 1.00 0.00 H new ATOM 0 HA GLN A 25 2.502 -21.539 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.331 -19.970 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.878 -20.929 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.053 -21.437 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.818 -22.510 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.081 -18.934 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.355 -18.722 -0.052 1.00 0.00 H new ATOM 451 N TYR A 26 2.520 -24.007 1.169 1.00 0.00 N ATOM 452 CA TYR A 26 2.936 -25.403 1.317 1.00 0.00 C ATOM 453 C TYR A 26 1.842 -26.404 0.957 1.00 0.00 C ATOM 454 O TYR A 26 2.134 -27.470 0.410 1.00 0.00 O ATOM 455 CB TYR A 26 3.431 -25.676 2.737 1.00 0.00 C ATOM 456 CG TYR A 26 2.701 -24.915 3.816 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.382 -25.207 4.132 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.341 -23.909 4.525 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.722 -24.517 5.130 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.690 -23.213 5.522 1.00 0.00 C ATOM 461 CZ TYR A 26 1.380 -23.520 5.821 1.00 0.00 C ATOM 462 OH TYR A 26 0.724 -22.830 6.816 1.00 0.00 O ATOM 0 H TYR A 26 1.979 -23.636 1.950 1.00 0.00 H new ATOM 0 HA TYR A 26 3.750 -25.546 0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.341 -26.743 2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.491 -25.429 2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.864 -25.985 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.367 -23.666 4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.304 -24.756 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.203 -22.433 6.065 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.191 -23.169 6.901 1.00 0.00 H new ATOM 472 N LYS A 27 0.596 -26.089 1.273 1.00 0.00 N ATOM 473 CA LYS A 27 -0.500 -27.011 0.981 1.00 0.00 C ATOM 474 C LYS A 27 -0.615 -27.278 -0.514 1.00 0.00 C ATOM 475 O LYS A 27 -1.004 -28.372 -0.926 1.00 0.00 O ATOM 476 CB LYS A 27 -1.827 -26.481 1.519 1.00 0.00 C ATOM 477 CG LYS A 27 -2.223 -25.141 0.944 1.00 0.00 C ATOM 478 CD LYS A 27 -3.263 -24.451 1.814 1.00 0.00 C ATOM 479 CE LYS A 27 -4.670 -24.679 1.288 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.704 -24.401 2.322 1.00 0.00 N ATOM 0 H LYS A 27 0.317 -25.218 1.724 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.272 -27.951 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.612 -27.206 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.761 -26.396 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.341 -24.506 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.620 -25.278 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.190 -24.825 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.056 -23.381 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.842 -24.039 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.767 -25.710 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.649 -24.569 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.557 -25.029 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.629 -23.410 2.630 1.00 0.00 H new ATOM 494 N ASP A 28 -0.279 -26.283 -1.328 1.00 0.00 N ATOM 495 CA ASP A 28 -0.354 -26.439 -2.777 1.00 0.00 C ATOM 496 C ASP A 28 0.594 -25.479 -3.491 1.00 0.00 C ATOM 497 O ASP A 28 0.439 -24.261 -3.397 1.00 0.00 O ATOM 498 CB ASP A 28 -1.788 -26.208 -3.254 1.00 0.00 C ATOM 499 CG ASP A 28 -2.725 -27.323 -2.835 1.00 0.00 C ATOM 500 OD1 ASP A 28 -2.503 -28.476 -3.262 1.00 0.00 O ATOM 501 OD2 ASP A 28 -3.680 -27.045 -2.081 1.00 0.00 O ATOM 0 H ASP A 28 0.045 -25.368 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.049 -27.457 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.153 -25.262 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.796 -26.119 -4.340 1.00 0.00 H new ATOM 506 N PRO A 29 1.589 -26.014 -4.225 1.00 0.00 N ATOM 507 CA PRO A 29 2.552 -25.191 -4.961 1.00 0.00 C ATOM 508 C PRO A 29 1.899 -24.426 -6.105 1.00 0.00 C ATOM 509 O PRO A 29 2.397 -23.386 -6.535 1.00 0.00 O ATOM 510 CB PRO A 29 3.560 -26.205 -5.502 1.00 0.00 C ATOM 511 CG PRO A 29 2.812 -27.488 -5.552 1.00 0.00 C ATOM 512 CD PRO A 29 1.847 -27.453 -4.401 1.00 0.00 C ATOM 0 HA PRO A 29 3.002 -24.428 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.920 -25.917 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.433 -26.280 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.284 -27.595 -6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.489 -28.338 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.932 -28.002 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.275 -27.899 -3.503 1.00 0.00 H new ATOM 520 N GLN A 30 0.776 -24.947 -6.592 1.00 0.00 N ATOM 521 CA GLN A 30 0.049 -24.314 -7.684 1.00 0.00 C ATOM 522 C GLN A 30 -1.054 -23.411 -7.143 1.00 0.00 C ATOM 523 O GLN A 30 -1.244 -22.291 -7.618 1.00 0.00 O ATOM 524 CB GLN A 30 -0.549 -25.374 -8.612 1.00 0.00 C ATOM 525 CG GLN A 30 0.492 -26.119 -9.432 1.00 0.00 C ATOM 526 CD GLN A 30 0.917 -27.424 -8.789 1.00 0.00 C ATOM 527 OE1 GLN A 30 0.091 -28.167 -8.261 1.00 0.00 O ATOM 528 NE2 GLN A 30 2.214 -27.709 -8.830 1.00 0.00 N ATOM 0 H GLN A 30 0.351 -25.807 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 30 0.751 -23.704 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.112 -26.092 -8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.258 -24.896 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.090 -26.322 -10.425 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.367 -25.483 -9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.864 -27.064 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.560 -28.573 -8.413 1.00 0.00 H new ATOM 537 N ASN A 31 -1.769 -23.906 -6.139 1.00 0.00 N ATOM 538 CA ASN A 31 -2.849 -23.146 -5.519 1.00 0.00 C ATOM 539 C ASN A 31 -2.308 -22.278 -4.387 1.00 0.00 C ATOM 540 O ASN A 31 -2.784 -22.349 -3.254 1.00 0.00 O ATOM 541 CB ASN A 31 -3.926 -24.092 -4.984 1.00 0.00 C ATOM 542 CG ASN A 31 -4.840 -24.610 -6.079 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.889 -24.029 -6.354 1.00 0.00 O ATOM 544 ND2 ASN A 31 -4.440 -25.708 -6.709 1.00 0.00 N ATOM 0 H ASN A 31 -1.620 -24.831 -5.736 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.293 -22.499 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.449 -24.935 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.522 -23.572 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.011 -26.104 -7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.562 -26.155 -6.446 1.00 0.00 H new ATOM 551 N LYS A 32 -1.305 -21.467 -4.702 1.00 0.00 N ATOM 552 CA LYS A 32 -0.690 -20.591 -3.710 1.00 0.00 C ATOM 553 C LYS A 32 -0.825 -19.124 -4.108 1.00 0.00 C ATOM 554 O LYS A 32 0.157 -18.472 -4.459 1.00 0.00 O ATOM 555 CB LYS A 32 0.786 -20.951 -3.527 1.00 0.00 C ATOM 556 CG LYS A 32 1.450 -21.455 -4.794 1.00 0.00 C ATOM 557 CD LYS A 32 1.563 -20.354 -5.834 1.00 0.00 C ATOM 558 CE LYS A 32 2.605 -20.688 -6.889 1.00 0.00 C ATOM 559 NZ LYS A 32 3.007 -19.488 -7.674 1.00 0.00 N ATOM 0 H LYS A 32 -0.900 -21.397 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.213 -20.736 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.324 -20.073 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.872 -21.714 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.443 -21.839 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.875 -22.286 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.595 -20.203 -6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.827 -19.416 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.484 -21.118 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.208 -21.447 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.483 -19.789 -8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.162 -18.931 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.657 -18.905 -7.109 1.00 0.00 H new ATOM 573 N LYS A 33 -2.051 -18.612 -4.044 1.00 0.00 N ATOM 574 CA LYS A 33 -2.330 -17.217 -4.392 1.00 0.00 C ATOM 575 C LYS A 33 -1.243 -16.286 -3.860 1.00 0.00 C ATOM 576 O LYS A 33 -0.836 -16.387 -2.702 1.00 0.00 O ATOM 577 CB LYS A 33 -3.691 -16.799 -3.835 1.00 0.00 C ATOM 578 CG LYS A 33 -4.843 -17.659 -4.328 1.00 0.00 C ATOM 579 CD LYS A 33 -4.944 -17.642 -5.847 1.00 0.00 C ATOM 580 CE LYS A 33 -4.756 -19.030 -6.437 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.278 -19.119 -7.829 1.00 0.00 N ATOM 0 H LYS A 33 -2.872 -19.143 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.344 -17.138 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.657 -16.842 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.882 -15.761 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.706 -18.684 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.777 -17.299 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.917 -17.249 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.191 -16.968 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.697 -19.287 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.266 -19.762 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.130 -20.081 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.294 -18.899 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.774 -18.439 -8.433 1.00 0.00 H new ATOM 595 N LYS A 34 -0.773 -15.381 -4.714 1.00 0.00 N ATOM 596 CA LYS A 34 0.271 -14.437 -4.327 1.00 0.00 C ATOM 597 C LYS A 34 -0.335 -13.097 -3.927 1.00 0.00 C ATOM 598 O LYS A 34 -1.067 -12.480 -4.702 1.00 0.00 O ATOM 599 CB LYS A 34 1.281 -14.227 -5.467 1.00 0.00 C ATOM 600 CG LYS A 34 1.362 -15.375 -6.470 1.00 0.00 C ATOM 601 CD LYS A 34 2.633 -16.191 -6.297 1.00 0.00 C ATOM 602 CE LYS A 34 3.879 -15.327 -6.406 1.00 0.00 C ATOM 603 NZ LYS A 34 4.916 -15.951 -7.276 1.00 0.00 N ATOM 0 H LYS A 34 -1.097 -15.281 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 34 0.795 -14.862 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.019 -13.314 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.269 -14.071 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.495 -16.024 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.322 -14.975 -7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.618 -16.686 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.667 -16.975 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.609 -14.350 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.293 -15.160 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.749 -15.330 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.193 -16.872 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.531 -16.087 -8.232 1.00 0.00 H new ATOM 617 N GLY A 35 -0.024 -12.646 -2.716 1.00 0.00 N ATOM 618 CA GLY A 35 -0.546 -11.381 -2.238 1.00 0.00 C ATOM 619 C GLY A 35 0.457 -10.251 -2.367 1.00 0.00 C ATOM 620 O GLY A 35 1.603 -10.376 -1.935 1.00 0.00 O ATOM 0 H GLY A 35 0.581 -13.136 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.446 -11.129 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.839 -11.484 -1.193 1.00 0.00 H new ATOM 624 N TRP A 36 0.023 -9.145 -2.965 1.00 0.00 N ATOM 625 CA TRP A 36 0.888 -7.985 -3.149 1.00 0.00 C ATOM 626 C TRP A 36 0.572 -6.908 -2.119 1.00 0.00 C ATOM 627 O TRP A 36 -0.570 -6.471 -1.991 1.00 0.00 O ATOM 628 CB TRP A 36 0.728 -7.425 -4.562 1.00 0.00 C ATOM 629 CG TRP A 36 1.036 -8.430 -5.627 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.257 -8.684 -6.181 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.111 -9.318 -6.265 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.149 -9.681 -7.122 1.00 0.00 N ATOM 633 CE2 TRP A 36 0.842 -10.086 -7.192 1.00 0.00 C ATOM 634 CE3 TRP A 36 -1.263 -9.540 -6.139 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.243 -11.059 -7.987 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.856 -10.505 -6.931 1.00 0.00 C ATOM 637 CH2 TRP A 36 -1.104 -11.255 -7.843 1.00 0.00 C ATOM 0 H TRP A 36 -0.922 -9.028 -3.330 1.00 0.00 H new ATOM 0 HA TRP A 36 1.921 -8.303 -3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.294 -7.068 -4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.385 -6.563 -4.682 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.174 -8.177 -5.919 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.917 -10.058 -7.678 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.850 -8.968 -5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.820 -11.639 -8.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.918 -10.684 -6.845 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.597 -12.004 -8.445 1.00 0.00 H new ATOM 648 N TRP A 37 1.593 -6.491 -1.378 1.00 0.00 N ATOM 649 CA TRP A 37 1.423 -5.473 -0.347 1.00 0.00 C ATOM 650 C TRP A 37 2.191 -4.203 -0.696 1.00 0.00 C ATOM 651 O TRP A 37 3.419 -4.213 -0.781 1.00 0.00 O ATOM 652 CB TRP A 37 1.900 -6.026 0.998 1.00 0.00 C ATOM 653 CG TRP A 37 1.602 -5.143 2.172 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.464 -5.141 2.926 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.460 -4.145 2.736 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.563 -4.204 3.925 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.777 -3.578 3.831 1.00 0.00 C ATOM 658 CE3 TRP A 37 3.738 -3.677 2.425 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.334 -2.568 4.613 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.289 -2.672 3.200 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.587 -2.128 4.284 1.00 0.00 C ATOM 0 H TRP A 37 2.546 -6.842 -1.472 1.00 0.00 H new ATOM 0 HA TRP A 37 0.366 -5.216 -0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.435 -6.998 1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.976 -6.192 0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.389 -5.782 2.761 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.153 -4.006 4.624 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.287 -4.093 1.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.796 -2.147 5.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.276 -2.301 2.966 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.044 -1.346 4.872 1.00 0.00 H new ATOM 672 N TYR A 38 1.461 -3.108 -0.883 1.00 0.00 N ATOM 673 CA TYR A 38 2.074 -1.824 -1.205 1.00 0.00 C ATOM 674 C TYR A 38 1.776 -0.813 -0.108 1.00 0.00 C ATOM 675 O TYR A 38 0.733 -0.881 0.546 1.00 0.00 O ATOM 676 CB TYR A 38 1.572 -1.296 -2.553 1.00 0.00 C ATOM 677 CG TYR A 38 1.470 -2.354 -3.629 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.522 -3.365 -3.546 1.00 0.00 C ATOM 679 CD2 TYR A 38 2.317 -2.334 -4.730 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.421 -4.329 -4.530 1.00 0.00 C ATOM 681 CE2 TYR A 38 2.221 -3.296 -5.718 1.00 0.00 C ATOM 682 CZ TYR A 38 1.272 -4.291 -5.614 1.00 0.00 C ATOM 683 OH TYR A 38 1.174 -5.249 -6.596 1.00 0.00 O ATOM 0 H TYR A 38 0.443 -3.084 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 38 3.152 -1.971 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.592 -0.841 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.243 -0.508 -2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.147 -3.398 -2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.061 -1.556 -4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.321 -5.109 -4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.887 -3.268 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 38 1.846 -5.077 -7.289 1.00 0.00 H new ATOM 693 N ALA A 39 2.699 0.115 0.105 1.00 0.00 N ATOM 694 CA ALA A 39 2.534 1.124 1.141 1.00 0.00 C ATOM 695 C ALA A 39 3.375 2.358 0.863 1.00 0.00 C ATOM 696 O ALA A 39 4.593 2.276 0.708 1.00 0.00 O ATOM 697 CB ALA A 39 2.898 0.531 2.493 1.00 0.00 C ATOM 0 H ALA A 39 3.568 0.190 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 39 1.490 1.436 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.774 1.288 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.246 -0.316 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.935 0.196 2.476 1.00 0.00 H new ATOM 703 N HIS A 40 2.709 3.505 0.826 1.00 0.00 N ATOM 704 CA HIS A 40 3.384 4.771 0.597 1.00 0.00 C ATOM 705 C HIS A 40 3.635 5.450 1.936 1.00 0.00 C ATOM 706 O HIS A 40 2.767 6.151 2.462 1.00 0.00 O ATOM 707 CB HIS A 40 2.542 5.669 -0.313 1.00 0.00 C ATOM 708 CG HIS A 40 3.022 7.088 -0.380 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.259 8.113 -0.892 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.191 7.650 0.010 1.00 0.00 C ATOM 711 CE1 HIS A 40 2.933 9.246 -0.814 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.109 8.992 -0.269 1.00 0.00 N ATOM 0 H HIS A 40 1.700 3.582 0.952 1.00 0.00 H new ATOM 0 HA HIS A 40 4.337 4.590 0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.539 5.249 -1.319 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.510 5.661 0.039 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.031 7.138 0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.583 10.214 -1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.838 9.681 -0.085 1.00 0.00 H new ATOM 721 N PHE A 41 4.816 5.213 2.490 1.00 0.00 N ATOM 722 CA PHE A 41 5.178 5.781 3.777 1.00 0.00 C ATOM 723 C PHE A 41 5.567 7.250 3.651 1.00 0.00 C ATOM 724 O PHE A 41 6.109 7.678 2.632 1.00 0.00 O ATOM 725 CB PHE A 41 6.331 4.996 4.407 1.00 0.00 C ATOM 726 CG PHE A 41 5.925 3.674 4.991 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.505 2.637 4.175 1.00 0.00 C ATOM 728 CD2 PHE A 41 5.960 3.470 6.362 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.131 1.420 4.714 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.587 2.258 6.907 1.00 0.00 C ATOM 731 CZ PHE A 41 5.172 1.232 6.081 1.00 0.00 C ATOM 0 H PHE A 41 5.539 4.631 2.067 1.00 0.00 H new ATOM 0 HA PHE A 41 4.301 5.712 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.097 4.827 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.785 5.603 5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.469 2.781 3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.283 4.270 7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.807 0.618 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.620 2.112 7.977 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.880 0.283 6.505 1.00 0.00 H new ATOM 741 N ASP A 42 5.305 8.005 4.709 1.00 0.00 N ATOM 742 CA ASP A 42 5.638 9.419 4.757 1.00 0.00 C ATOM 743 C ASP A 42 6.539 9.677 5.954 1.00 0.00 C ATOM 744 O ASP A 42 6.108 9.555 7.103 1.00 0.00 O ATOM 745 CB ASP A 42 4.370 10.269 4.856 1.00 0.00 C ATOM 746 CG ASP A 42 3.645 10.386 3.528 1.00 0.00 C ATOM 747 OD1 ASP A 42 4.275 10.120 2.483 1.00 0.00 O ATOM 748 OD2 ASP A 42 2.450 10.746 3.535 1.00 0.00 O ATOM 0 H ASP A 42 4.857 7.654 5.555 1.00 0.00 H new ATOM 0 HA ASP A 42 6.159 9.696 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.699 9.831 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.631 11.265 5.213 1.00 0.00 H new ATOM 753 N GLY A 43 7.798 9.998 5.689 1.00 0.00 N ATOM 754 CA GLY A 43 8.729 10.225 6.774 1.00 0.00 C ATOM 755 C GLY A 43 8.903 8.973 7.615 1.00 0.00 C ATOM 756 O GLY A 43 9.068 7.882 7.070 1.00 0.00 O ATOM 0 H GLY A 43 8.188 10.104 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.694 10.533 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.370 11.041 7.401 1.00 0.00 H new ATOM 760 N PRO A 44 8.864 9.090 8.951 1.00 0.00 N ATOM 761 CA PRO A 44 9.013 7.940 9.845 1.00 0.00 C ATOM 762 C PRO A 44 7.771 7.047 9.868 1.00 0.00 C ATOM 763 O PRO A 44 7.813 5.926 10.372 1.00 0.00 O ATOM 764 CB PRO A 44 9.232 8.577 11.230 1.00 0.00 C ATOM 765 CG PRO A 44 9.383 10.044 10.990 1.00 0.00 C ATOM 766 CD PRO A 44 8.674 10.334 9.701 1.00 0.00 C ATOM 0 HA PRO A 44 9.827 7.290 9.524 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.389 8.375 11.890 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.120 8.167 11.712 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.951 10.619 11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.435 10.321 10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.619 10.556 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.106 11.190 9.183 1.00 0.00 H new ATOM 774 N TRP A 45 6.660 7.564 9.349 1.00 0.00 N ATOM 775 CA TRP A 45 5.398 6.829 9.340 1.00 0.00 C ATOM 776 C TRP A 45 4.858 6.653 7.922 1.00 0.00 C ATOM 777 O TRP A 45 5.592 6.805 6.948 1.00 0.00 O ATOM 778 CB TRP A 45 4.390 7.580 10.207 1.00 0.00 C ATOM 779 CG TRP A 45 5.058 8.404 11.263 1.00 0.00 C ATOM 780 CD1 TRP A 45 5.661 9.617 11.101 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.223 8.056 12.635 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.180 10.050 12.298 1.00 0.00 N ATOM 783 CE2 TRP A 45 5.917 9.107 13.258 1.00 0.00 C ATOM 784 CE3 TRP A 45 4.839 6.958 13.394 1.00 0.00 C ATOM 785 CZ2 TRP A 45 6.238 9.087 14.614 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.154 6.932 14.741 1.00 0.00 C ATOM 787 CH2 TRP A 45 5.847 7.992 15.339 1.00 0.00 C ATOM 0 H TRP A 45 6.608 8.492 8.928 1.00 0.00 H new ATOM 0 HA TRP A 45 5.568 5.830 9.742 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.780 8.226 9.576 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.715 6.866 10.678 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.722 10.158 10.168 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.678 10.927 12.447 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.303 6.138 12.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.774 9.903 15.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.861 6.082 15.340 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.078 7.945 16.393 1.00 0.00 H new ATOM 798 N ILE A 46 3.570 6.321 7.815 1.00 0.00 N ATOM 799 CA ILE A 46 2.938 6.117 6.513 1.00 0.00 C ATOM 800 C ILE A 46 1.575 6.798 6.435 1.00 0.00 C ATOM 801 O ILE A 46 0.919 7.023 7.452 1.00 0.00 O ATOM 802 CB ILE A 46 2.789 4.611 6.185 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.767 4.383 5.066 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.399 3.828 7.427 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.723 2.954 4.575 1.00 0.00 C ATOM 0 H ILE A 46 2.947 6.188 8.612 1.00 0.00 H new ATOM 0 HA ILE A 46 3.595 6.573 5.773 1.00 0.00 H new ATOM 0 HB ILE A 46 3.756 4.250 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.778 4.667 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.003 5.040 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.299 2.772 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.169 3.948 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.449 4.201 7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.979 2.864 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.702 2.673 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.457 2.294 5.400 1.00 0.00 H new ATOM 817 N ALA A 47 1.165 7.132 5.213 1.00 0.00 N ATOM 818 CA ALA A 47 -0.111 7.795 4.991 1.00 0.00 C ATOM 819 C ALA A 47 -0.976 7.059 3.967 1.00 0.00 C ATOM 820 O ALA A 47 -2.189 7.272 3.916 1.00 0.00 O ATOM 821 CB ALA A 47 0.119 9.232 4.546 1.00 0.00 C ATOM 0 H ALA A 47 1.701 6.953 4.364 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.652 7.786 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.842 9.720 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.672 9.768 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.692 9.238 3.619 1.00 0.00 H new ATOM 827 N ARG A 48 -0.370 6.199 3.143 1.00 0.00 N ATOM 828 CA ARG A 48 -1.133 5.467 2.138 1.00 0.00 C ATOM 829 C ARG A 48 -0.847 3.972 2.214 1.00 0.00 C ATOM 830 O ARG A 48 0.306 3.552 2.299 1.00 0.00 O ATOM 831 CB ARG A 48 -0.811 5.997 0.739 1.00 0.00 C ATOM 832 CG ARG A 48 -1.979 6.709 0.076 1.00 0.00 C ATOM 833 CD ARG A 48 -1.549 7.419 -1.199 1.00 0.00 C ATOM 834 NE ARG A 48 -0.833 8.662 -0.917 1.00 0.00 N ATOM 835 CZ ARG A 48 -0.487 9.547 -1.849 1.00 0.00 C ATOM 836 NH1 ARG A 48 -0.781 9.328 -3.124 1.00 0.00 N ATOM 837 NH2 ARG A 48 0.159 10.654 -1.505 1.00 0.00 N ATOM 0 H ARG A 48 0.630 5.997 3.153 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.193 5.620 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.033 6.684 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.497 5.166 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.763 5.987 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.407 7.433 0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.911 6.758 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.427 7.636 -1.807 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.584 8.863 0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.275 8.478 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.513 10.010 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.390 10.826 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.424 11.332 -2.219 1.00 0.00 H new ATOM 851 N GLN A 49 -1.908 3.170 2.183 1.00 0.00 N ATOM 852 CA GLN A 49 -1.772 1.720 2.250 1.00 0.00 C ATOM 853 C GLN A 49 -2.786 1.035 1.339 1.00 0.00 C ATOM 854 O GLN A 49 -3.951 1.425 1.285 1.00 0.00 O ATOM 855 CB GLN A 49 -1.952 1.238 3.691 1.00 0.00 C ATOM 856 CG GLN A 49 -1.871 -0.273 3.842 1.00 0.00 C ATOM 857 CD GLN A 49 -0.635 -0.721 4.598 1.00 0.00 C ATOM 858 OE1 GLN A 49 -0.683 -1.671 5.381 1.00 0.00 O ATOM 859 NE2 GLN A 49 0.482 -0.042 4.367 1.00 0.00 N ATOM 0 H GLN A 49 -2.870 3.501 2.112 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.771 1.456 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.188 1.699 4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.918 1.581 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.760 -0.630 4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.874 -0.733 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.478 0.739 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.344 -0.301 4.846 1.00 0.00 H new ATOM 868 N MET A 50 -2.332 0.008 0.628 1.00 0.00 N ATOM 869 CA MET A 50 -3.197 -0.736 -0.280 1.00 0.00 C ATOM 870 C MET A 50 -2.790 -2.206 -0.326 1.00 0.00 C ATOM 871 O MET A 50 -1.620 -2.530 -0.533 1.00 0.00 O ATOM 872 CB MET A 50 -3.141 -0.134 -1.683 1.00 0.00 C ATOM 873 CG MET A 50 -1.731 -0.023 -2.235 1.00 0.00 C ATOM 874 SD MET A 50 -1.608 -0.570 -3.949 1.00 0.00 S ATOM 875 CE MET A 50 -2.108 0.916 -4.816 1.00 0.00 C ATOM 0 H MET A 50 -1.370 -0.328 0.663 1.00 0.00 H new ATOM 0 HA MET A 50 -4.220 -0.669 0.092 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.740 -0.746 -2.357 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.595 0.857 -1.664 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.398 1.012 -2.164 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.056 -0.618 -1.619 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.652 0.930 -5.806 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.193 0.931 -4.916 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.783 1.792 -4.254 1.00 0.00 H new ATOM 885 N GLU A 51 -3.760 -3.090 -0.124 1.00 0.00 N ATOM 886 CA GLU A 51 -3.500 -4.526 -0.138 1.00 0.00 C ATOM 887 C GLU A 51 -4.265 -5.214 -1.264 1.00 0.00 C ATOM 888 O GLU A 51 -5.429 -4.902 -1.520 1.00 0.00 O ATOM 889 CB GLU A 51 -3.880 -5.145 1.210 1.00 0.00 C ATOM 890 CG GLU A 51 -2.686 -5.486 2.082 1.00 0.00 C ATOM 891 CD GLU A 51 -2.970 -6.627 3.039 1.00 0.00 C ATOM 892 OE1 GLU A 51 -3.813 -6.446 3.944 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.350 -7.699 2.884 1.00 0.00 O ATOM 0 H GLU A 51 -4.733 -2.839 0.051 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.434 -4.674 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.526 -4.452 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.460 -6.051 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.841 -5.751 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.393 -4.604 2.651 1.00 0.00 H new ATOM 900 N LEU A 52 -3.604 -6.154 -1.934 1.00 0.00 N ATOM 901 CA LEU A 52 -4.220 -6.891 -3.032 1.00 0.00 C ATOM 902 C LEU A 52 -3.926 -8.384 -2.923 1.00 0.00 C ATOM 903 O LEU A 52 -2.767 -8.800 -2.929 1.00 0.00 O ATOM 904 CB LEU A 52 -3.715 -6.364 -4.377 1.00 0.00 C ATOM 905 CG LEU A 52 -3.790 -4.846 -4.551 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.679 -4.356 -5.468 1.00 0.00 C ATOM 907 CD2 LEU A 52 -5.152 -4.443 -5.094 1.00 0.00 C ATOM 0 H LEU A 52 -2.641 -6.423 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.298 -6.744 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.679 -6.678 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.292 -6.834 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.656 -4.379 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.750 -3.274 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.711 -4.614 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.779 -4.828 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.191 -3.360 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.314 -4.920 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.929 -4.760 -4.398 1.00 0.00 H new ATOM 919 N HIS A 53 -4.981 -9.188 -2.829 1.00 0.00 N ATOM 920 CA HIS A 53 -4.829 -10.635 -2.726 1.00 0.00 C ATOM 921 C HIS A 53 -5.789 -11.344 -3.683 1.00 0.00 C ATOM 922 O HIS A 53 -6.977 -11.025 -3.727 1.00 0.00 O ATOM 923 CB HIS A 53 -5.081 -11.093 -1.287 1.00 0.00 C ATOM 924 CG HIS A 53 -3.919 -11.813 -0.675 1.00 0.00 C ATOM 925 ND1 HIS A 53 -3.574 -13.106 -1.010 1.00 0.00 N ATOM 926 CD2 HIS A 53 -3.020 -11.415 0.256 1.00 0.00 C ATOM 927 CE1 HIS A 53 -2.514 -13.472 -0.311 1.00 0.00 C ATOM 928 NE2 HIS A 53 -2.159 -12.464 0.465 1.00 0.00 N ATOM 0 H HIS A 53 -5.948 -8.863 -2.822 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.808 -10.896 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.323 -10.224 -0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.953 -11.747 -1.270 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.986 -10.452 0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.022 -14.432 -0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.373 -12.465 1.114 1.00 0.00 H new ATOM 937 N PRO A 54 -5.289 -12.316 -4.469 1.00 0.00 N ATOM 938 CA PRO A 54 -6.113 -13.060 -5.429 1.00 0.00 C ATOM 939 C PRO A 54 -7.414 -13.570 -4.817 1.00 0.00 C ATOM 940 O PRO A 54 -8.409 -13.756 -5.518 1.00 0.00 O ATOM 941 CB PRO A 54 -5.213 -14.230 -5.830 1.00 0.00 C ATOM 942 CG PRO A 54 -3.829 -13.709 -5.660 1.00 0.00 C ATOM 943 CD PRO A 54 -3.882 -12.763 -4.491 1.00 0.00 C ATOM 0 HA PRO A 54 -6.426 -12.435 -6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.390 -15.101 -5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.398 -14.539 -6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.127 -14.521 -5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.491 -13.197 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.604 -13.259 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.197 -11.925 -4.622 1.00 0.00 H new ATOM 951 N ASP A 55 -7.404 -13.793 -3.507 1.00 0.00 N ATOM 952 CA ASP A 55 -8.587 -14.281 -2.806 1.00 0.00 C ATOM 953 C ASP A 55 -9.229 -13.176 -1.965 1.00 0.00 C ATOM 954 O ASP A 55 -10.362 -13.314 -1.507 1.00 0.00 O ATOM 955 CB ASP A 55 -8.224 -15.473 -1.917 1.00 0.00 C ATOM 956 CG ASP A 55 -7.304 -15.091 -0.776 1.00 0.00 C ATOM 957 OD1 ASP A 55 -6.101 -14.861 -1.032 1.00 0.00 O ATOM 958 OD2 ASP A 55 -7.783 -15.019 0.375 1.00 0.00 O ATOM 0 H ASP A 55 -6.591 -13.644 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.311 -14.601 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.137 -15.910 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.744 -16.241 -2.524 1.00 0.00 H new ATOM 963 N LYS A 56 -8.497 -12.083 -1.766 1.00 0.00 N ATOM 964 CA LYS A 56 -8.995 -10.961 -0.981 1.00 0.00 C ATOM 965 C LYS A 56 -9.053 -9.689 -1.828 1.00 0.00 C ATOM 966 O LYS A 56 -8.033 -9.241 -2.357 1.00 0.00 O ATOM 967 CB LYS A 56 -8.107 -10.731 0.244 1.00 0.00 C ATOM 968 CG LYS A 56 -7.744 -12.009 0.982 1.00 0.00 C ATOM 969 CD LYS A 56 -8.865 -12.458 1.906 1.00 0.00 C ATOM 970 CE LYS A 56 -8.912 -11.616 3.171 1.00 0.00 C ATOM 971 NZ LYS A 56 -9.750 -10.397 2.997 1.00 0.00 N ATOM 0 H LYS A 56 -7.557 -11.952 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.004 -11.203 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.191 -10.231 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.618 -10.057 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.528 -12.797 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.835 -11.849 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.819 -12.387 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.723 -13.506 2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.308 -12.215 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.900 -11.324 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.142 -9.553 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.256 -10.450 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.438 -10.335 3.774 1.00 0.00 H new ATOM 985 N PRO A 57 -10.249 -9.086 -1.971 1.00 0.00 N ATOM 986 CA PRO A 57 -10.427 -7.862 -2.758 1.00 0.00 C ATOM 987 C PRO A 57 -9.417 -6.780 -2.391 1.00 0.00 C ATOM 988 O PRO A 57 -8.714 -6.890 -1.387 1.00 0.00 O ATOM 989 CB PRO A 57 -11.846 -7.414 -2.400 1.00 0.00 C ATOM 990 CG PRO A 57 -12.552 -8.668 -2.024 1.00 0.00 C ATOM 991 CD PRO A 57 -11.520 -9.548 -1.375 1.00 0.00 C ATOM 0 HA PRO A 57 -10.276 -8.038 -3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.840 -6.700 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.332 -6.923 -3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.375 -8.462 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.981 -9.152 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.520 -9.434 -0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.702 -10.602 -1.585 1.00 0.00 H new ATOM 999 N PRO A 58 -9.330 -5.716 -3.208 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.397 -4.610 -2.967 1.00 0.00 C ATOM 1001 C PRO A 58 -8.652 -3.915 -1.636 1.00 0.00 C ATOM 1002 O PRO A 58 -9.513 -3.043 -1.534 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.667 -3.644 -4.128 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.347 -4.464 -5.169 1.00 0.00 C ATOM 1005 CD PRO A 58 -10.128 -5.509 -4.427 1.00 0.00 C ATOM 0 HA PRO A 58 -7.366 -4.960 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.295 -2.812 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.739 -3.216 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.004 -3.848 -5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.621 -4.923 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.138 -5.170 -4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.225 -6.427 -5.006 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.894 -4.303 -0.617 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.038 -3.711 0.707 1.00 0.00 C ATOM 1015 C ILE A 59 -7.341 -2.357 0.772 1.00 0.00 C ATOM 1016 O ILE A 59 -6.135 -2.274 0.998 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.469 -4.635 1.802 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.210 -5.971 1.797 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.570 -3.975 3.171 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.312 -7.157 2.061 1.00 0.00 C ATOM 0 H ILE A 59 -7.175 -5.023 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.105 -3.576 0.886 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.415 -4.816 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.996 -5.945 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.699 -6.103 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.163 -4.645 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.004 -3.043 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.615 -3.764 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.904 -8.072 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.541 -7.208 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.843 -7.047 3.039 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.117 -1.299 0.569 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.585 0.058 0.600 1.00 0.00 C ATOM 1034 C LEU A 60 -7.582 0.606 2.023 1.00 0.00 C ATOM 1035 O LEU A 60 -8.637 0.772 2.636 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.408 0.971 -0.311 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.711 0.398 -1.698 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -10.143 0.711 -2.105 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -7.732 0.944 -2.726 1.00 0.00 C ATOM 0 H LEU A 60 -9.118 -1.355 0.381 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.557 0.029 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.351 1.200 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.875 1.914 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.596 -0.685 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.339 0.296 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.831 0.271 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.286 1.791 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.962 0.526 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.815 2.030 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.716 0.668 -2.444 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.391 0.883 2.543 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.254 1.409 3.896 1.00 0.00 C ATOM 1053 C LEU A 61 -5.576 2.775 3.884 1.00 0.00 C ATOM 1054 O LEU A 61 -4.787 3.083 2.988 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.453 0.437 4.764 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.970 -1.002 4.769 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.916 -1.943 5.331 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -7.259 -1.101 5.570 1.00 0.00 C ATOM 0 H LEU A 61 -5.508 0.752 2.049 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.253 1.524 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.419 0.434 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.447 0.809 5.789 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.181 -1.298 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.300 -2.963 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.017 -1.891 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.674 -1.650 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.613 -2.132 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.074 -0.788 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.015 -0.455 5.124 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.891 3.593 4.882 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.318 4.928 4.989 1.00 0.00 C ATOM 1072 C VAL A 62 -5.057 5.299 6.446 1.00 0.00 C ATOM 1073 O VAL A 62 -5.656 4.728 7.358 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.242 5.987 4.359 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -6.282 5.833 2.847 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -7.640 5.895 4.949 1.00 0.00 C ATOM 0 H VAL A 62 -6.542 3.353 5.630 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.373 4.912 4.446 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.840 6.974 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.940 6.590 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.278 5.956 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.657 4.842 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.278 6.651 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.053 4.905 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.593 6.063 6.025 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.161 6.257 6.658 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.823 6.701 8.004 1.00 0.00 C ATOM 1088 C ALA A 63 -5.016 7.369 8.678 1.00 0.00 C ATOM 1089 O ALA A 63 -5.843 7.996 8.017 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.635 7.652 7.965 1.00 0.00 C ATOM 0 H ALA A 63 -3.656 6.740 5.915 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.552 5.823 8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.394 7.975 8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.774 7.142 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.885 8.521 7.356 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.099 7.230 9.998 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.197 7.825 10.739 1.00 0.00 C ATOM 1098 C GLY A 64 -7.399 6.906 10.834 1.00 0.00 C ATOM 1099 O GLY A 64 -7.872 6.602 11.928 1.00 0.00 O ATOM 0 H GLY A 64 -4.426 6.716 10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.858 8.079 11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.493 8.757 10.257 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.892 6.462 9.682 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.046 5.572 9.636 1.00 0.00 C ATOM 1105 C LYS A 65 -8.633 4.131 9.922 1.00 0.00 C ATOM 1106 O LYS A 65 -9.003 3.560 10.947 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.729 5.661 8.269 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.108 6.299 8.319 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.031 5.716 7.261 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.377 6.422 7.245 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.964 6.530 8.610 1.00 0.00 N ATOM 0 H LYS A 65 -7.510 6.704 8.768 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.750 5.887 10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.096 6.236 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.816 4.659 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.544 6.148 9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.018 7.375 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.562 5.802 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.179 4.653 7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.259 7.419 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.064 5.879 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.001 6.473 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.610 5.752 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.692 7.440 9.034 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.862 3.551 9.007 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.395 2.176 9.160 1.00 0.00 C ATOM 1127 C ASP A 66 -5.983 2.144 9.735 1.00 0.00 C ATOM 1128 O ASP A 66 -5.151 1.336 9.322 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.430 1.454 7.813 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.749 0.746 7.570 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.675 1.385 7.027 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.856 -0.446 7.926 1.00 0.00 O ATOM 0 H ASP A 66 -7.547 4.011 8.153 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.061 1.664 9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.255 2.174 7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.618 0.728 7.772 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.719 3.028 10.692 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.407 3.104 11.326 1.00 0.00 C ATOM 1139 C ASP A 67 -4.016 1.761 11.938 1.00 0.00 C ATOM 1140 O ASP A 67 -2.833 1.437 12.041 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.403 4.192 12.405 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.325 5.233 12.173 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.265 4.875 11.617 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.540 6.405 12.545 1.00 0.00 O ATOM 0 H ASP A 67 -6.397 3.703 11.046 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.675 3.357 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.377 4.681 12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.255 3.731 13.381 1.00 0.00 H new ATOM 1149 N MET A 68 -5.016 0.984 12.340 1.00 0.00 N ATOM 1150 CA MET A 68 -4.774 -0.323 12.939 1.00 0.00 C ATOM 1151 C MET A 68 -4.561 -1.384 11.863 1.00 0.00 C ATOM 1152 O MET A 68 -3.885 -2.388 12.093 1.00 0.00 O ATOM 1153 CB MET A 68 -5.945 -0.721 13.839 1.00 0.00 C ATOM 1154 CG MET A 68 -6.307 0.335 14.872 1.00 0.00 C ATOM 1155 SD MET A 68 -8.065 0.736 14.875 1.00 0.00 S ATOM 1156 CE MET A 68 -8.288 1.299 13.189 1.00 0.00 C ATOM 0 H MET A 68 -6.001 1.237 12.262 1.00 0.00 H new ATOM 0 HA MET A 68 -3.869 -0.256 13.542 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.817 -0.923 13.218 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.698 -1.650 14.353 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.018 -0.018 15.862 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.733 1.240 14.676 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.325 1.601 13.040 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.632 2.149 12.999 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.043 0.491 12.500 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.145 -1.159 10.692 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.021 -2.098 9.584 1.00 0.00 C ATOM 1168 C GLU A 69 -3.713 -1.885 8.827 1.00 0.00 C ATOM 1169 O GLU A 69 -2.929 -2.817 8.650 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.211 -1.955 8.632 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.279 -3.019 8.828 1.00 0.00 C ATOM 1172 CD GLU A 69 -7.069 -4.228 7.939 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -5.965 -4.812 7.980 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -8.007 -4.592 7.200 1.00 0.00 O ATOM 0 H GLU A 69 -5.709 -0.335 10.485 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.015 -3.107 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.660 -0.972 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.851 -1.999 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.283 -3.336 9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.258 -2.587 8.622 1.00 0.00 H new ATOM 1181 N MET A 70 -3.481 -0.653 8.380 1.00 0.00 N ATOM 1182 CA MET A 70 -2.265 -0.325 7.643 1.00 0.00 C ATOM 1183 C MET A 70 -1.021 -0.677 8.452 1.00 0.00 C ATOM 1184 O MET A 70 -1.116 -1.076 9.613 1.00 0.00 O ATOM 1185 CB MET A 70 -2.248 1.158 7.275 1.00 0.00 C ATOM 1186 CG MET A 70 -2.136 2.089 8.473 1.00 0.00 C ATOM 1187 SD MET A 70 -1.699 3.777 8.005 1.00 0.00 S ATOM 1188 CE MET A 70 -2.365 3.859 6.342 1.00 0.00 C ATOM 0 H MET A 70 -4.118 0.132 8.515 1.00 0.00 H new ATOM 0 HA MET A 70 -2.258 -0.918 6.728 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.411 1.346 6.602 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.159 1.397 6.726 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.085 2.099 9.010 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.385 1.701 9.161 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.365 4.894 6.001 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.750 3.256 5.674 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.386 3.476 6.340 1.00 0.00 H new ATOM 1198 N CYS A 71 0.147 -0.530 7.833 1.00 0.00 N ATOM 1199 CA CYS A 71 1.409 -0.834 8.498 1.00 0.00 C ATOM 1200 C CYS A 71 1.570 -0.006 9.770 1.00 0.00 C ATOM 1201 O CYS A 71 1.431 1.217 9.745 1.00 0.00 O ATOM 1202 CB CYS A 71 2.586 -0.579 7.555 1.00 0.00 C ATOM 1203 SG CYS A 71 3.758 -1.952 7.452 1.00 0.00 S ATOM 0 H CYS A 71 0.245 -0.202 6.872 1.00 0.00 H new ATOM 0 HA CYS A 71 1.398 -1.889 8.773 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.200 -0.369 6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.116 0.314 7.886 1.00 0.00 H new ATOM 0 HG CYS A 71 3.641 -2.537 6.297 1.00 0.00 H new ATOM 1209 N GLU A 72 1.861 -0.678 10.878 1.00 0.00 N ATOM 1210 CA GLU A 72 2.038 -0.001 12.158 1.00 0.00 C ATOM 1211 C GLU A 72 3.502 -0.039 12.594 1.00 0.00 C ATOM 1212 O GLU A 72 3.808 -0.289 13.760 1.00 0.00 O ATOM 1213 CB GLU A 72 1.148 -0.646 13.224 1.00 0.00 C ATOM 1214 CG GLU A 72 0.170 0.324 13.866 1.00 0.00 C ATOM 1215 CD GLU A 72 0.866 1.455 14.597 1.00 0.00 C ATOM 1216 OE1 GLU A 72 1.855 1.992 14.056 1.00 0.00 O ATOM 1217 OE2 GLU A 72 0.422 1.805 15.710 1.00 0.00 O ATOM 0 H GLU A 72 1.979 -1.690 10.916 1.00 0.00 H new ATOM 0 HA GLU A 72 1.745 1.042 12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.590 -1.466 12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.780 -1.079 14.000 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.481 0.740 13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.467 -0.218 14.565 1.00 0.00 H new ATOM 1224 N LYS A 73 4.402 0.210 11.649 1.00 0.00 N ATOM 1225 CA LYS A 73 5.832 0.203 11.933 1.00 0.00 C ATOM 1226 C LYS A 73 6.567 1.203 11.042 1.00 0.00 C ATOM 1227 O LYS A 73 6.369 1.227 9.828 1.00 0.00 O ATOM 1228 CB LYS A 73 6.417 -1.202 11.737 1.00 0.00 C ATOM 1229 CG LYS A 73 5.569 -2.109 10.856 1.00 0.00 C ATOM 1230 CD LYS A 73 4.583 -2.920 11.680 1.00 0.00 C ATOM 1231 CE LYS A 73 4.496 -4.357 11.194 1.00 0.00 C ATOM 1232 NZ LYS A 73 3.313 -4.574 10.316 1.00 0.00 N ATOM 0 H LYS A 73 4.166 0.419 10.679 1.00 0.00 H new ATOM 0 HA LYS A 73 5.968 0.497 12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.411 -1.113 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.540 -1.672 12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.027 -1.507 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.217 -2.783 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.886 -2.907 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.597 -2.457 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.405 -4.612 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.440 -5.028 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.289 -5.566 10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.444 -4.355 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.379 -3.952 9.485 1.00 0.00 H new ATOM 1246 N ASN A 74 7.416 2.026 11.652 1.00 0.00 N ATOM 1247 CA ASN A 74 8.178 3.028 10.911 1.00 0.00 C ATOM 1248 C ASN A 74 8.955 2.387 9.764 1.00 0.00 C ATOM 1249 O ASN A 74 9.065 1.164 9.687 1.00 0.00 O ATOM 1250 CB ASN A 74 9.135 3.772 11.847 1.00 0.00 C ATOM 1251 CG ASN A 74 8.418 4.413 13.021 1.00 0.00 C ATOM 1252 OD1 ASN A 74 8.099 3.746 14.006 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.160 5.715 12.923 1.00 0.00 N ATOM 0 H ASN A 74 7.594 2.019 12.656 1.00 0.00 H new ATOM 0 HA ASN A 74 7.472 3.743 10.488 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.887 3.077 12.220 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.664 4.541 11.284 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.680 6.198 13.682 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.442 6.229 12.089 1.00 0.00 H new ATOM 1260 N LEU A 75 9.482 3.223 8.871 1.00 0.00 N ATOM 1261 CA LEU A 75 10.240 2.750 7.712 1.00 0.00 C ATOM 1262 C LEU A 75 11.225 1.641 8.081 1.00 0.00 C ATOM 1263 O LEU A 75 11.222 0.569 7.475 1.00 0.00 O ATOM 1264 CB LEU A 75 10.998 3.916 7.071 1.00 0.00 C ATOM 1265 CG LEU A 75 10.345 4.507 5.821 1.00 0.00 C ATOM 1266 CD1 LEU A 75 10.235 3.456 4.728 1.00 0.00 C ATOM 1267 CD2 LEU A 75 8.975 5.076 6.160 1.00 0.00 C ATOM 0 H LEU A 75 9.397 4.238 8.928 1.00 0.00 H new ATOM 0 HA LEU A 75 9.523 2.336 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.110 4.707 7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.001 3.578 6.812 1.00 0.00 H new ATOM 0 HG LEU A 75 10.973 5.317 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.768 3.895 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.230 3.095 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.628 2.623 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.522 5.493 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.339 4.283 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.082 5.860 6.910 1.00 0.00 H new ATOM 1279 N GLU A 76 12.069 1.909 9.070 1.00 0.00 N ATOM 1280 CA GLU A 76 13.066 0.935 9.507 1.00 0.00 C ATOM 1281 C GLU A 76 12.406 -0.237 10.223 1.00 0.00 C ATOM 1282 O GLU A 76 12.891 -1.368 10.163 1.00 0.00 O ATOM 1283 CB GLU A 76 14.095 1.590 10.434 1.00 0.00 C ATOM 1284 CG GLU A 76 14.313 3.071 10.167 1.00 0.00 C ATOM 1285 CD GLU A 76 15.708 3.532 10.544 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.658 2.735 10.398 1.00 0.00 O ATOM 1287 OE2 GLU A 76 15.850 4.692 10.987 1.00 0.00 O ATOM 0 H GLU A 76 12.084 2.790 9.584 1.00 0.00 H new ATOM 0 HA GLU A 76 13.575 0.562 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.772 1.461 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.047 1.069 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.140 3.275 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.579 3.650 10.728 1.00 0.00 H new ATOM 1294 N GLU A 77 11.305 0.043 10.905 1.00 0.00 N ATOM 1295 CA GLU A 77 10.581 -0.985 11.645 1.00 0.00 C ATOM 1296 C GLU A 77 9.691 -1.825 10.728 1.00 0.00 C ATOM 1297 O GLU A 77 9.169 -2.859 11.142 1.00 0.00 O ATOM 1298 CB GLU A 77 9.736 -0.345 12.747 1.00 0.00 C ATOM 1299 CG GLU A 77 9.683 -1.164 14.026 1.00 0.00 C ATOM 1300 CD GLU A 77 11.014 -1.201 14.750 1.00 0.00 C ATOM 1301 OE1 GLU A 77 12.049 -0.935 14.104 1.00 0.00 O ATOM 1302 OE2 GLU A 77 11.021 -1.498 15.963 1.00 0.00 O ATOM 0 H GLU A 77 10.892 0.974 10.962 1.00 0.00 H new ATOM 0 HA GLU A 77 11.320 -1.650 12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.138 0.642 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.721 -0.199 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.925 -0.747 14.689 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.374 -2.182 13.789 1.00 0.00 H new ATOM 1309 N THR A 78 9.517 -1.382 9.484 1.00 0.00 N ATOM 1310 CA THR A 78 8.685 -2.111 8.532 1.00 0.00 C ATOM 1311 C THR A 78 9.394 -3.365 8.033 1.00 0.00 C ATOM 1312 O THR A 78 8.973 -4.485 8.320 1.00 0.00 O ATOM 1313 CB THR A 78 8.313 -1.218 7.341 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.769 0.106 7.538 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.823 -1.159 7.085 1.00 0.00 C ATOM 0 H THR A 78 9.938 -0.529 9.115 1.00 0.00 H new ATOM 0 HA THR A 78 7.774 -2.409 9.051 1.00 0.00 H new ATOM 0 HB THR A 78 8.799 -1.673 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.415 0.451 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.626 -0.512 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.450 -2.161 6.875 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.318 -0.761 7.965 1.00 0.00 H new ATOM 1323 N GLY A 79 10.470 -3.167 7.281 1.00 0.00 N ATOM 1324 CA GLY A 79 11.221 -4.289 6.748 1.00 0.00 C ATOM 1325 C GLY A 79 11.367 -4.219 5.242 1.00 0.00 C ATOM 1326 O GLY A 79 12.337 -4.728 4.680 1.00 0.00 O ATOM 0 H GLY A 79 10.837 -2.249 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.210 -4.312 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.722 -5.219 7.020 1.00 0.00 H new ATOM 1330 N LEU A 80 10.402 -3.581 4.585 1.00 0.00 N ATOM 1331 CA LEU A 80 10.432 -3.440 3.132 1.00 0.00 C ATOM 1332 C LEU A 80 11.688 -2.696 2.697 1.00 0.00 C ATOM 1333 O LEU A 80 12.266 -2.986 1.649 1.00 0.00 O ATOM 1334 CB LEU A 80 9.183 -2.710 2.618 1.00 0.00 C ATOM 1335 CG LEU A 80 8.487 -1.792 3.629 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.942 -0.552 2.939 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.372 -2.540 4.345 1.00 0.00 C ATOM 0 H LEU A 80 9.592 -3.154 5.034 1.00 0.00 H new ATOM 0 HA LEU A 80 10.443 -4.441 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.464 -2.116 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.464 -3.455 2.276 1.00 0.00 H new ATOM 0 HG LEU A 80 9.221 -1.475 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.452 0.087 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.761 -0.006 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.222 -0.847 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.888 -1.874 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.639 -2.885 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.790 -3.397 4.873 1.00 0.00 H new ATOM 1349 N THR A 81 12.111 -1.740 3.516 1.00 0.00 N ATOM 1350 CA THR A 81 13.306 -0.957 3.223 1.00 0.00 C ATOM 1351 C THR A 81 14.550 -1.838 3.276 1.00 0.00 C ATOM 1352 O THR A 81 15.446 -1.716 2.441 1.00 0.00 O ATOM 1353 CB THR A 81 13.444 0.200 4.216 1.00 0.00 C ATOM 1354 OG1 THR A 81 12.791 -0.102 5.438 1.00 0.00 O ATOM 1355 CG2 THR A 81 12.875 1.503 3.696 1.00 0.00 C ATOM 0 H THR A 81 11.645 -1.488 4.388 1.00 0.00 H new ATOM 0 HA THR A 81 13.208 -0.549 2.217 1.00 0.00 H new ATOM 0 HB THR A 81 14.516 0.325 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.282 0.679 5.739 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.004 2.282 4.447 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.397 1.789 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.813 1.377 3.483 1.00 0.00 H new ATOM 1363 N ARG A 82 14.594 -2.726 4.263 1.00 0.00 N ATOM 1364 CA ARG A 82 15.725 -3.631 4.426 1.00 0.00 C ATOM 1365 C ARG A 82 15.790 -4.632 3.276 1.00 0.00 C ATOM 1366 O ARG A 82 16.866 -5.106 2.912 1.00 0.00 O ATOM 1367 CB ARG A 82 15.622 -4.376 5.759 1.00 0.00 C ATOM 1368 CG ARG A 82 15.362 -3.464 6.948 1.00 0.00 C ATOM 1369 CD ARG A 82 16.199 -3.864 8.153 1.00 0.00 C ATOM 1370 NE ARG A 82 15.792 -3.155 9.363 1.00 0.00 N ATOM 1371 CZ ARG A 82 16.479 -3.180 10.503 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.605 -3.877 10.594 1.00 0.00 N ATOM 1373 NH2 ARG A 82 16.039 -2.507 11.558 1.00 0.00 N ATOM 0 H ARG A 82 13.860 -2.838 4.962 1.00 0.00 H new ATOM 0 HA ARG A 82 16.638 -3.036 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.820 -5.111 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.547 -4.927 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.588 -2.434 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.305 -3.500 7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.110 -4.938 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.250 -3.658 7.949 1.00 0.00 H new ATOM 0 HE ARG A 82 14.931 -2.609 9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.949 -4.398 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.126 -3.892 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.174 -1.970 11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.566 -2.526 12.431 1.00 0.00 H new ATOM 1387 N LYS A 83 14.630 -4.948 2.705 1.00 0.00 N ATOM 1388 CA LYS A 83 14.555 -5.891 1.595 1.00 0.00 C ATOM 1389 C LYS A 83 15.465 -5.459 0.449 1.00 0.00 C ATOM 1390 O LYS A 83 16.193 -4.473 0.560 1.00 0.00 O ATOM 1391 CB LYS A 83 13.111 -6.011 1.099 1.00 0.00 C ATOM 1392 CG LYS A 83 12.170 -6.626 2.120 1.00 0.00 C ATOM 1393 CD LYS A 83 10.983 -7.296 1.450 1.00 0.00 C ATOM 1394 CE LYS A 83 11.251 -8.768 1.181 1.00 0.00 C ATOM 1395 NZ LYS A 83 10.563 -9.244 -0.051 1.00 0.00 N ATOM 0 H LYS A 83 13.730 -4.564 2.993 1.00 0.00 H new ATOM 0 HA LYS A 83 14.892 -6.864 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.744 -5.021 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.096 -6.615 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.711 -7.357 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.816 -5.853 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.102 -7.196 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.760 -6.789 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.324 -8.929 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.917 -9.359 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.890 -10.203 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.535 -9.258 0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.782 -8.603 -0.840 1.00 0.00 H new ATOM 1409 N ARG A 84 15.422 -6.206 -0.649 1.00 0.00 N ATOM 1410 CA ARG A 84 16.248 -5.900 -1.811 1.00 0.00 C ATOM 1411 C ARG A 84 15.502 -5.009 -2.799 1.00 0.00 C ATOM 1412 O ARG A 84 15.029 -5.474 -3.837 1.00 0.00 O ATOM 1413 CB ARG A 84 16.692 -7.192 -2.502 1.00 0.00 C ATOM 1414 CG ARG A 84 18.042 -7.704 -2.022 1.00 0.00 C ATOM 1415 CD ARG A 84 17.972 -8.199 -0.587 1.00 0.00 C ATOM 1416 NE ARG A 84 19.160 -7.827 0.178 1.00 0.00 N ATOM 1417 CZ ARG A 84 19.522 -8.413 1.317 1.00 0.00 C ATOM 1418 NH1 ARG A 84 18.793 -9.400 1.825 1.00 0.00 N ATOM 1419 NH2 ARG A 84 20.617 -8.013 1.949 1.00 0.00 N ATOM 0 H ARG A 84 14.825 -7.026 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 84 17.129 -5.360 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.939 -7.962 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.738 -7.022 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.377 -8.513 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.782 -6.907 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.086 -7.787 -0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.862 -9.283 -0.582 1.00 0.00 H new ATOM 0 HE ARG A 84 19.746 -7.074 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.951 -9.713 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.075 -9.845 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.181 -7.257 1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.895 -8.462 2.822 1.00 0.00 H new ATOM 1433 N GLY A 85 15.408 -3.724 -2.473 1.00 0.00 N ATOM 1434 CA GLY A 85 14.729 -2.785 -3.343 1.00 0.00 C ATOM 1435 C GLY A 85 13.222 -2.955 -3.336 1.00 0.00 C ATOM 1436 O GLY A 85 12.631 -3.339 -4.345 1.00 0.00 O ATOM 0 H GLY A 85 15.791 -3.317 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.976 -1.769 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.098 -2.909 -4.361 1.00 0.00 H new ATOM 1440 N ALA A 86 12.597 -2.662 -2.200 1.00 0.00 N ATOM 1441 CA ALA A 86 11.148 -2.777 -2.077 1.00 0.00 C ATOM 1442 C ALA A 86 10.454 -1.522 -2.602 1.00 0.00 C ATOM 1443 O ALA A 86 9.255 -1.536 -2.883 1.00 0.00 O ATOM 1444 CB ALA A 86 10.760 -3.027 -0.628 1.00 0.00 C ATOM 0 H ALA A 86 13.069 -2.344 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 86 10.822 -3.624 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.676 -3.111 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.221 -3.952 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.105 -2.197 -0.011 1.00 0.00 H new ATOM 1450 N GLU A 87 11.214 -0.435 -2.728 1.00 0.00 N ATOM 1451 CA GLU A 87 10.676 0.832 -3.212 1.00 0.00 C ATOM 1452 C GLU A 87 9.934 0.660 -4.535 1.00 0.00 C ATOM 1453 O GLU A 87 10.136 -0.321 -5.251 1.00 0.00 O ATOM 1454 CB GLU A 87 11.804 1.854 -3.379 1.00 0.00 C ATOM 1455 CG GLU A 87 12.061 2.687 -2.134 1.00 0.00 C ATOM 1456 CD GLU A 87 13.328 2.275 -1.410 1.00 0.00 C ATOM 1457 OE1 GLU A 87 14.425 2.663 -1.865 1.00 0.00 O ATOM 1458 OE2 GLU A 87 13.224 1.565 -0.388 1.00 0.00 O ATOM 0 H GLU A 87 12.208 -0.408 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 87 9.963 1.193 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.720 1.330 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.560 2.520 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.131 3.738 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.212 2.593 -1.456 1.00 0.00 H new ATOM 1465 N ILE A 88 9.077 1.627 -4.851 1.00 0.00 N ATOM 1466 CA ILE A 88 8.301 1.599 -6.086 1.00 0.00 C ATOM 1467 C ILE A 88 8.011 3.012 -6.578 1.00 0.00 C ATOM 1468 O ILE A 88 8.415 3.993 -5.953 1.00 0.00 O ATOM 1469 CB ILE A 88 6.963 0.855 -5.901 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.101 1.555 -4.846 1.00 0.00 C ATOM 1471 CG2 ILE A 88 7.206 -0.595 -5.514 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.881 2.242 -5.422 1.00 0.00 C ATOM 0 H ILE A 88 8.902 2.443 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 88 8.903 1.068 -6.823 1.00 0.00 H new ATOM 0 HB ILE A 88 6.427 0.871 -6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.780 0.822 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.709 2.292 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.250 -1.103 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.779 -1.090 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.763 -0.633 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.317 2.716 -4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.195 2.999 -6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.251 1.506 -5.922 1.00 0.00 H new ATOM 1484 N LEU A 89 7.302 3.111 -7.698 1.00 0.00 N ATOM 1485 CA LEU A 89 6.952 4.407 -8.267 1.00 0.00 C ATOM 1486 C LEU A 89 5.526 4.797 -7.883 1.00 0.00 C ATOM 1487 O LEU A 89 4.661 3.934 -7.723 1.00 0.00 O ATOM 1488 CB LEU A 89 7.093 4.375 -9.791 1.00 0.00 C ATOM 1489 CG LEU A 89 8.337 3.651 -10.310 1.00 0.00 C ATOM 1490 CD1 LEU A 89 7.981 2.253 -10.790 1.00 0.00 C ATOM 1491 CD2 LEU A 89 8.992 4.449 -11.428 1.00 0.00 C ATOM 0 H LEU A 89 6.959 2.310 -8.229 1.00 0.00 H new ATOM 0 HA LEU A 89 7.637 5.153 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.210 3.896 -10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.107 5.400 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 89 9.049 3.561 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.879 1.754 -11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.559 1.681 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.250 2.320 -11.596 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.875 3.919 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.286 4.572 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.285 5.429 -11.052 1.00 0.00 H new ATOM 1503 N PRO A 90 5.259 6.104 -7.729 1.00 0.00 N ATOM 1504 CA PRO A 90 3.930 6.601 -7.361 1.00 0.00 C ATOM 1505 C PRO A 90 2.888 6.335 -8.444 1.00 0.00 C ATOM 1506 O PRO A 90 1.689 6.307 -8.170 1.00 0.00 O ATOM 1507 CB PRO A 90 4.141 8.108 -7.185 1.00 0.00 C ATOM 1508 CG PRO A 90 5.358 8.421 -7.983 1.00 0.00 C ATOM 1509 CD PRO A 90 6.230 7.200 -7.902 1.00 0.00 C ATOM 0 HA PRO A 90 3.548 6.105 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.279 8.672 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.279 8.367 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.099 8.648 -9.017 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.872 9.295 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.827 7.071 -8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.926 7.257 -7.065 1.00 0.00 H new ATOM 1517 N ARG A 91 3.353 6.141 -9.674 1.00 0.00 N ATOM 1518 CA ARG A 91 2.458 5.880 -10.795 1.00 0.00 C ATOM 1519 C ARG A 91 1.734 4.546 -10.620 1.00 0.00 C ATOM 1520 O ARG A 91 0.546 4.433 -10.918 1.00 0.00 O ATOM 1521 CB ARG A 91 3.242 5.910 -12.116 1.00 0.00 C ATOM 1522 CG ARG A 91 3.905 4.591 -12.482 1.00 0.00 C ATOM 1523 CD ARG A 91 2.927 3.665 -13.182 1.00 0.00 C ATOM 1524 NE ARG A 91 3.596 2.771 -14.125 1.00 0.00 N ATOM 1525 CZ ARG A 91 4.237 3.187 -15.215 1.00 0.00 C ATOM 1526 NH1 ARG A 91 4.293 4.481 -15.508 1.00 0.00 N ATOM 1527 NH2 ARG A 91 4.821 2.307 -16.017 1.00 0.00 N ATOM 0 H ARG A 91 4.343 6.160 -9.919 1.00 0.00 H new ATOM 0 HA ARG A 91 1.702 6.665 -10.822 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.565 6.198 -12.920 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.008 6.683 -12.052 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.761 4.778 -13.130 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.286 4.109 -11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.393 3.073 -12.439 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.182 4.259 -13.712 1.00 0.00 H new ATOM 0 HE ARG A 91 3.570 1.769 -13.937 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.843 5.162 -14.896 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.786 4.794 -16.345 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.779 1.312 -15.799 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.312 2.626 -16.852 1.00 0.00 H new ATOM 1541 N GLN A 92 2.457 3.541 -10.137 1.00 0.00 N ATOM 1542 CA GLN A 92 1.882 2.218 -9.924 1.00 0.00 C ATOM 1543 C GLN A 92 0.890 2.235 -8.766 1.00 0.00 C ATOM 1544 O GLN A 92 -0.207 1.685 -8.865 1.00 0.00 O ATOM 1545 CB GLN A 92 2.988 1.198 -9.651 1.00 0.00 C ATOM 1546 CG GLN A 92 4.023 1.111 -10.761 1.00 0.00 C ATOM 1547 CD GLN A 92 3.741 -0.020 -11.731 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.907 0.110 -12.627 1.00 0.00 O ATOM 1549 NE2 GLN A 92 4.436 -1.136 -11.557 1.00 0.00 N ATOM 0 H GLN A 92 3.443 3.618 -9.886 1.00 0.00 H new ATOM 0 HA GLN A 92 1.348 1.931 -10.830 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.489 1.458 -8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.538 0.216 -9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.047 2.055 -11.306 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.011 0.971 -10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.117 -1.200 -10.801 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.289 -1.931 -12.179 1.00 0.00 H new ATOM 1558 N PHE A 93 1.285 2.870 -7.668 1.00 0.00 N ATOM 1559 CA PHE A 93 0.433 2.963 -6.488 1.00 0.00 C ATOM 1560 C PHE A 93 -0.898 3.616 -6.834 1.00 0.00 C ATOM 1561 O PHE A 93 -1.963 3.079 -6.529 1.00 0.00 O ATOM 1562 CB PHE A 93 1.134 3.762 -5.387 1.00 0.00 C ATOM 1563 CG PHE A 93 0.502 3.601 -4.034 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.696 4.230 -3.735 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.105 2.820 -3.061 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -1.280 4.083 -2.491 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.527 2.669 -1.815 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.668 3.302 -1.530 1.00 0.00 C ATOM 0 H PHE A 93 2.191 3.329 -7.570 1.00 0.00 H new ATOM 0 HA PHE A 93 0.242 1.952 -6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.177 3.451 -5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.131 4.818 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.179 4.842 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.039 2.323 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.214 4.578 -2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.008 2.058 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.123 3.186 -0.557 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.832 4.776 -7.477 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.035 5.499 -7.869 1.00 0.00 C ATOM 1580 C GLU A 94 -2.765 4.767 -8.991 1.00 0.00 C ATOM 1581 O GLU A 94 -3.970 4.943 -9.176 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.686 6.924 -8.302 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.223 7.988 -7.357 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.120 8.785 -6.687 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.627 9.753 -7.305 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.749 8.442 -5.544 1.00 0.00 O ATOM 0 H GLU A 94 0.041 5.235 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.698 5.550 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.602 7.021 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.084 7.101 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.871 8.667 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.838 7.513 -6.593 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.036 3.935 -9.733 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.633 3.173 -10.822 1.00 0.00 C ATOM 1595 C GLU A 95 -3.699 2.237 -10.272 1.00 0.00 C ATOM 1596 O GLU A 95 -4.831 2.209 -10.754 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.562 2.367 -11.562 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.475 2.687 -13.046 1.00 0.00 C ATOM 1599 CD GLU A 95 -2.781 2.437 -13.774 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -3.748 3.193 -13.538 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -2.839 1.484 -14.580 1.00 0.00 O ATOM 0 H GLU A 95 -1.038 3.774 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.092 3.868 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.593 2.557 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.770 1.304 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.187 3.731 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.689 2.082 -13.499 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.325 1.480 -9.248 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.238 0.547 -8.611 1.00 0.00 C ATOM 1610 C ILE A 96 -5.209 1.281 -7.698 1.00 0.00 C ATOM 1611 O ILE A 96 -6.369 0.891 -7.562 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.469 -0.496 -7.791 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.309 -1.059 -8.611 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.403 -1.608 -7.338 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.723 -1.582 -9.970 1.00 0.00 C ATOM 0 H ILE A 96 -2.390 1.496 -8.841 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.796 0.043 -9.400 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.060 -0.015 -6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.558 -0.280 -8.744 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.836 -1.865 -8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.842 -2.340 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.197 -1.187 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.840 -2.094 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.848 -1.965 -10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.451 -2.383 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.169 -0.774 -10.550 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.726 2.355 -7.079 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.548 3.159 -6.185 1.00 0.00 C ATOM 1629 C TRP A 97 -6.839 3.564 -6.887 1.00 0.00 C ATOM 1630 O TRP A 97 -7.920 3.535 -6.298 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.776 4.406 -5.746 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.210 4.949 -4.420 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.514 6.247 -4.129 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.382 4.213 -3.204 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.867 6.364 -2.806 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.794 5.129 -2.216 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.231 2.868 -2.852 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.055 4.742 -0.904 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.489 2.486 -1.549 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.899 3.419 -0.589 1.00 0.00 C ATOM 0 H TRP A 97 -3.767 2.688 -7.182 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.796 2.568 -5.304 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.714 4.167 -5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.896 5.181 -6.503 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.482 7.063 -4.835 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.139 7.229 -2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.918 2.140 -3.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.369 5.460 -0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.372 1.450 -1.267 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.096 3.088 0.420 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.710 3.927 -8.157 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.855 4.324 -8.966 1.00 0.00 C ATOM 1653 C GLU A 98 -8.515 3.104 -9.598 1.00 0.00 C ATOM 1654 O GLU A 98 -9.724 3.088 -9.835 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.420 5.306 -10.058 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.495 6.314 -10.434 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.929 7.693 -10.706 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.426 8.327 -9.755 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -7.988 8.139 -11.871 1.00 0.00 O ATOM 0 H GLU A 98 -5.818 3.955 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.579 4.815 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.533 5.842 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.134 4.744 -10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.025 5.962 -11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.226 6.378 -9.628 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.709 2.082 -9.875 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.202 0.853 -10.487 1.00 0.00 C ATOM 1668 C ARG A 99 -9.315 0.225 -9.653 1.00 0.00 C ATOM 1669 O ARG A 99 -10.201 -0.442 -10.189 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.057 -0.145 -10.664 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.196 -1.016 -11.902 1.00 0.00 C ATOM 1672 CD ARG A 99 -5.843 -1.317 -12.529 1.00 0.00 C ATOM 1673 NE ARG A 99 -5.545 -2.747 -12.531 1.00 0.00 N ATOM 1674 CZ ARG A 99 -4.477 -3.283 -13.116 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -3.602 -2.511 -13.749 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -4.283 -4.594 -13.070 1.00 0.00 N ATOM 0 H ARG A 99 -6.707 2.082 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.613 1.108 -11.464 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.115 0.401 -10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.005 -0.785 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.691 -1.950 -11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.832 -0.514 -12.631 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.827 -0.942 -13.552 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.064 -0.785 -11.982 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.195 -3.373 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.747 -1.502 -13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.785 -2.927 -14.196 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.953 -5.192 -12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.464 -5.004 -13.519 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.264 0.436 -8.342 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.270 -0.119 -7.442 1.00 0.00 C ATOM 1692 C CYS A 100 -11.208 0.969 -6.924 1.00 0.00 C ATOM 1693 O CYS A 100 -12.337 1.101 -7.398 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.594 -0.843 -6.276 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.260 -1.956 -6.777 1.00 0.00 S ATOM 0 H CYS A 100 -8.540 0.985 -7.880 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.869 -0.836 -8.003 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.194 -0.102 -5.584 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -10.346 -1.415 -5.732 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.251 -1.814 -5.970 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.740 1.745 -5.950 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.559 2.807 -5.392 1.00 0.00 C ATOM 1703 C GLY A 101 -10.922 3.465 -4.183 1.00 0.00 C ATOM 1704 O GLY A 101 -11.619 3.893 -3.260 1.00 0.00 O ATOM 0 H GLY A 101 -9.811 1.658 -5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.739 3.561 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.530 2.401 -5.110 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.596 3.552 -4.186 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.893 4.167 -3.076 1.00 0.00 C ATOM 1710 C GLY A 102 -9.296 5.611 -2.870 1.00 0.00 C ATOM 1711 O GLY A 102 -9.595 6.027 -1.751 1.00 0.00 O ATOM 0 H GLY A 102 -8.997 3.208 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.093 3.603 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.819 4.114 -3.255 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.303 6.380 -3.954 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.671 7.788 -3.895 1.00 0.00 C ATOM 1717 C ILE A 103 -11.023 7.974 -3.215 1.00 0.00 C ATOM 1718 O ILE A 103 -11.199 8.878 -2.398 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.721 8.409 -5.300 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.439 8.078 -6.061 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.924 9.915 -5.213 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.588 6.914 -7.012 1.00 0.00 C ATOM 0 H ILE A 103 -9.057 6.049 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.904 8.295 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.567 7.987 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.121 8.957 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.648 7.854 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.957 10.336 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.862 10.127 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.099 10.362 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.640 6.734 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.876 6.023 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.356 7.144 -7.751 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.976 7.112 -3.552 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.307 7.182 -2.964 1.00 0.00 C ATOM 1736 C GLN A 104 -13.228 6.993 -1.454 1.00 0.00 C ATOM 1737 O GLN A 104 -13.853 7.728 -0.689 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.219 6.118 -3.579 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.875 6.557 -4.879 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.987 6.322 -6.087 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.190 5.373 -6.844 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.997 7.187 -6.271 1.00 0.00 N ATOM 0 H GLN A 104 -11.851 6.358 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.726 8.166 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.637 5.215 -3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.995 5.857 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.812 6.016 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.125 7.616 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.866 7.959 -5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.367 7.079 -7.066 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.444 6.006 -1.032 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.269 5.721 0.387 1.00 0.00 C ATOM 1753 C TYR A 105 -11.627 6.913 1.093 1.00 0.00 C ATOM 1754 O TYR A 105 -12.039 7.297 2.188 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.406 4.466 0.568 1.00 0.00 C ATOM 1756 CG TYR A 105 -10.942 4.235 1.990 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -11.833 4.320 3.054 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -9.615 3.933 2.267 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -11.412 4.111 4.353 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -9.188 3.722 3.564 1.00 0.00 C ATOM 1761 CZ TYR A 105 -10.088 3.812 4.604 1.00 0.00 C ATOM 1762 OH TYR A 105 -9.666 3.604 5.895 1.00 0.00 O ATOM 0 H TYR A 105 -11.920 5.390 -1.653 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.248 5.542 0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -11.974 3.597 0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.533 4.542 -0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -12.870 4.553 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.906 3.862 1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -12.116 4.181 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.153 3.487 3.762 1.00 0.00 H new ATOM 0 HH TYR A 105 -9.534 2.645 6.046 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.617 7.494 0.453 1.00 0.00 N ATOM 1773 CA LEU A 106 -9.916 8.643 1.012 1.00 0.00 C ATOM 1774 C LEU A 106 -10.836 9.855 1.091 1.00 0.00 C ATOM 1775 O LEU A 106 -10.865 10.562 2.097 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.686 8.975 0.164 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.378 9.095 0.943 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.228 9.437 0.010 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.507 10.138 2.043 1.00 0.00 C ATOM 0 H LEU A 106 -10.266 7.187 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.595 8.388 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.569 8.203 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.867 9.914 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.164 8.132 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.305 9.518 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.121 8.652 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.431 10.386 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.566 10.210 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.746 11.105 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.302 9.847 2.729 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.584 10.090 0.020 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.511 11.218 -0.039 1.00 0.00 C ATOM 1793 C GLN A 107 -13.575 11.108 1.048 1.00 0.00 C ATOM 1794 O GLN A 107 -14.088 12.115 1.536 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.179 11.282 -1.414 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.381 12.068 -2.443 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.209 13.135 -3.132 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -13.992 12.843 -4.035 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -13.038 14.381 -2.706 1.00 0.00 N ATOM 0 H GLN A 107 -11.568 9.514 -0.822 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.941 12.132 0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.331 10.267 -1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.165 11.734 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.526 12.536 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.984 11.382 -3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.377 14.577 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.567 15.142 -3.131 1.00 0.00 H new ATOM 1808 N SER A 108 -13.905 9.874 1.419 1.00 0.00 N ATOM 1809 CA SER A 108 -14.913 9.622 2.445 1.00 0.00 C ATOM 1810 C SER A 108 -14.389 10.000 3.827 1.00 0.00 C ATOM 1811 O SER A 108 -15.039 10.737 4.568 1.00 0.00 O ATOM 1812 CB SER A 108 -15.332 8.151 2.430 1.00 0.00 C ATOM 1813 OG SER A 108 -16.689 8.002 2.810 1.00 0.00 O ATOM 0 H SER A 108 -13.488 9.031 1.024 1.00 0.00 H new ATOM 0 HA SER A 108 -15.782 10.241 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.183 7.738 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.697 7.582 3.109 1.00 0.00 H new ATOM 0 HG SER A 108 -16.932 7.053 2.790 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.202 9.505 4.160 1.00 0.00 N ATOM 1820 CA ALA A 109 -12.587 9.809 5.446 1.00 0.00 C ATOM 1821 C ALA A 109 -12.103 11.250 5.456 1.00 0.00 C ATOM 1822 O ALA A 109 -12.106 11.922 6.489 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.433 8.857 5.723 1.00 0.00 C ATOM 0 H ALA A 109 -12.649 8.894 3.560 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.330 9.680 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.986 9.098 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.803 7.832 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.682 8.958 4.939 1.00 0.00 H new ATOM 1829 N ILE A 110 -11.706 11.718 4.279 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.229 13.077 4.104 1.00 0.00 C ATOM 1831 C ILE A 110 -12.296 14.078 4.544 1.00 0.00 C ATOM 1832 O ILE A 110 -12.021 15.003 5.306 1.00 0.00 O ATOM 1833 CB ILE A 110 -10.846 13.325 2.625 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.411 12.871 2.363 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.014 14.784 2.246 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.083 12.724 0.892 1.00 0.00 C ATOM 0 H ILE A 110 -11.707 11.164 3.422 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.344 13.215 4.725 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.522 12.738 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.724 13.589 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.244 11.916 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.736 14.923 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.054 15.079 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.373 15.400 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.049 12.399 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.746 11.984 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.218 13.683 0.392 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.517 13.875 4.058 1.00 0.00 N ATOM 1849 CA GLU A 111 -14.632 14.749 4.400 1.00 0.00 C ATOM 1850 C GLU A 111 -15.045 14.548 5.854 1.00 0.00 C ATOM 1851 O GLU A 111 -15.414 15.499 6.543 1.00 0.00 O ATOM 1852 CB GLU A 111 -15.821 14.480 3.475 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.550 14.827 2.021 1.00 0.00 C ATOM 1854 CD GLU A 111 -15.393 16.318 1.796 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -16.420 17.000 1.603 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -14.242 16.803 1.815 1.00 0.00 O ATOM 0 H GLU A 111 -13.758 13.112 3.426 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.310 15.782 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.093 13.427 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.679 15.055 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.645 14.317 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.368 14.454 1.404 1.00 0.00 H new ATOM 1863 N SER A 112 -14.978 13.303 6.313 1.00 0.00 N ATOM 1864 CA SER A 112 -15.342 12.972 7.686 1.00 0.00 C ATOM 1865 C SER A 112 -14.231 13.363 8.663 1.00 0.00 C ATOM 1866 O SER A 112 -14.405 13.271 9.878 1.00 0.00 O ATOM 1867 CB SER A 112 -15.640 11.476 7.808 1.00 0.00 C ATOM 1868 OG SER A 112 -14.455 10.731 8.041 1.00 0.00 O ATOM 0 H SER A 112 -14.675 12.506 5.754 1.00 0.00 H new ATOM 0 HA SER A 112 -16.237 13.539 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.343 11.309 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.120 11.123 6.895 1.00 0.00 H new ATOM 0 HG SER A 112 -13.705 11.154 7.573 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.091 13.797 8.125 1.00 0.00 N ATOM 1875 CA ARG A 113 -11.954 14.199 8.948 1.00 0.00 C ATOM 1876 C ARG A 113 -11.353 12.998 9.669 1.00 0.00 C ATOM 1877 O ARG A 113 -10.825 13.124 10.774 1.00 0.00 O ATOM 1878 CB ARG A 113 -12.369 15.269 9.962 1.00 0.00 C ATOM 1879 CG ARG A 113 -12.931 16.527 9.320 1.00 0.00 C ATOM 1880 CD ARG A 113 -11.904 17.202 8.424 1.00 0.00 C ATOM 1881 NE ARG A 113 -12.413 18.441 7.842 1.00 0.00 N ATOM 1882 CZ ARG A 113 -12.466 19.601 8.495 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -12.045 19.682 9.751 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.941 20.680 7.891 1.00 0.00 N ATOM 0 H ARG A 113 -12.932 13.879 7.121 1.00 0.00 H new ATOM 0 HA ARG A 113 -11.196 14.620 8.287 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.116 14.850 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.505 15.536 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.815 16.274 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.250 17.222 10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.005 17.416 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.615 16.519 7.625 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.748 18.417 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.679 18.854 10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.088 20.572 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.266 20.623 6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.982 21.568 8.391 1.00 0.00 H new ATOM 1898 N GLN A 114 -11.434 11.834 9.032 1.00 0.00 N ATOM 1899 CA GLN A 114 -10.892 10.608 9.607 1.00 0.00 C ATOM 1900 C GLN A 114 -9.632 10.177 8.865 1.00 0.00 C ATOM 1901 O GLN A 114 -8.747 9.543 9.440 1.00 0.00 O ATOM 1902 CB GLN A 114 -11.936 9.491 9.557 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.020 9.623 10.615 1.00 0.00 C ATOM 1904 CD GLN A 114 -12.690 8.859 11.883 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -12.265 9.443 12.880 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -12.885 7.547 11.851 1.00 0.00 N ATOM 0 H GLN A 114 -11.870 11.714 8.118 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.633 10.804 10.647 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.401 9.484 8.571 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.435 8.531 9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.162 10.677 10.856 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -13.964 9.259 10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.239 7.105 11.003 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -12.681 6.981 12.675 1.00 0.00 H new ATOM 1915 N ALA A 115 -9.557 10.527 7.584 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.406 10.181 6.761 1.00 0.00 C ATOM 1917 C ALA A 115 -7.118 10.762 7.336 1.00 0.00 C ATOM 1918 O ALA A 115 -6.024 10.281 7.041 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.614 10.671 5.335 1.00 0.00 C ATOM 0 H ALA A 115 -10.282 11.051 7.094 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.311 9.095 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.747 10.407 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.505 10.204 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.739 11.754 5.337 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.252 11.800 8.160 1.00 0.00 N ATOM 1926 CA ARG A 116 -6.096 12.445 8.772 1.00 0.00 C ATOM 1927 C ARG A 116 -5.223 13.114 7.713 1.00 0.00 C ATOM 1928 O ARG A 116 -4.224 12.545 7.271 1.00 0.00 O ATOM 1929 CB ARG A 116 -5.274 11.422 9.566 1.00 0.00 C ATOM 1930 CG ARG A 116 -5.065 11.810 11.020 1.00 0.00 C ATOM 1931 CD ARG A 116 -4.956 10.583 11.912 1.00 0.00 C ATOM 1932 NE ARG A 116 -4.557 10.931 13.274 1.00 0.00 N ATOM 1933 CZ ARG A 116 -4.100 10.049 14.160 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -3.984 8.767 13.832 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -3.761 10.449 15.378 1.00 0.00 N ATOM 0 H ARG A 116 -8.149 12.211 8.418 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.457 13.214 9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.775 10.455 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.302 11.299 9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.159 12.410 11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.895 12.433 11.355 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.915 10.066 11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.230 9.889 11.488 1.00 0.00 H new ATOM 0 HE ARG A 116 -4.633 11.906 13.563 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.246 8.454 12.897 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.633 8.096 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -3.851 11.432 15.635 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -3.411 9.774 16.058 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.591 14.336 7.283 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.843 15.079 6.269 1.00 0.00 C ATOM 1951 C PRO A 117 -3.337 15.051 6.518 1.00 0.00 C ATOM 1952 O PRO A 117 -2.812 15.830 7.314 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.382 16.516 6.382 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.342 16.513 7.532 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.762 15.088 7.741 1.00 0.00 C ATOM 0 HA PRO A 117 -4.976 14.645 5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.571 17.224 6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.879 16.819 5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.871 16.913 8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.205 17.143 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.991 14.883 8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.653 14.840 7.165 1.00 0.00 H new ATOM 1963 N THR A 118 -2.650 14.143 5.831 1.00 0.00 N ATOM 1964 CA THR A 118 -1.204 14.006 5.973 1.00 0.00 C ATOM 1965 C THR A 118 -0.497 14.304 4.655 1.00 0.00 C ATOM 1966 O THR A 118 0.379 15.167 4.591 1.00 0.00 O ATOM 1967 CB THR A 118 -0.849 12.597 6.448 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.636 12.233 7.570 1.00 0.00 O ATOM 1969 CG2 THR A 118 0.605 12.444 6.839 1.00 0.00 C ATOM 0 H THR A 118 -3.072 13.491 5.170 1.00 0.00 H new ATOM 0 HA THR A 118 -0.867 14.728 6.716 1.00 0.00 H new ATOM 0 HB THR A 118 -1.049 11.947 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.556 12.060 7.282 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.788 11.420 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.238 12.669 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.837 13.132 7.652 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.880 13.586 3.604 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.280 13.779 2.288 1.00 0.00 C ATOM 1979 C TYR A 119 -1.177 13.223 1.186 1.00 0.00 C ATOM 1980 O TYR A 119 -1.490 13.919 0.221 1.00 0.00 O ATOM 1981 CB TYR A 119 1.096 13.112 2.226 1.00 0.00 C ATOM 1982 CG TYR A 119 1.814 13.322 0.911 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.666 14.506 0.197 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.642 12.338 0.387 1.00 0.00 C ATOM 1985 CE1 TYR A 119 2.322 14.699 -1.004 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.301 12.528 -0.812 1.00 0.00 C ATOM 1987 CZ TYR A 119 3.138 13.709 -1.504 1.00 0.00 C ATOM 1988 OH TYR A 119 3.793 13.899 -2.699 1.00 0.00 O ATOM 0 H TYR A 119 -1.602 12.866 3.637 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.165 14.851 2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.715 13.501 3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.980 12.042 2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 119 1.029 15.286 0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 119 2.773 11.411 0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 119 2.195 15.623 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 119 3.942 11.753 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 119 4.328 13.105 -2.908 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.583 11.967 1.333 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.440 11.322 0.345 1.00 0.00 C ATOM 2000 C ALA A 120 -3.729 12.107 0.133 1.00 0.00 C ATOM 2001 O ALA A 120 -4.185 12.271 -0.998 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.755 9.896 0.768 1.00 0.00 C ATOM 0 H ALA A 120 -1.333 11.376 2.126 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.901 11.299 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.395 9.428 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.828 9.330 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.268 9.907 1.730 1.00 0.00 H new ATOM 2008 N THR A 121 -4.312 12.591 1.225 1.00 0.00 N ATOM 2009 CA THR A 121 -5.549 13.358 1.149 1.00 0.00 C ATOM 2010 C THR A 121 -5.367 14.580 0.257 1.00 0.00 C ATOM 2011 O THR A 121 -6.165 14.822 -0.649 1.00 0.00 O ATOM 2012 CB THR A 121 -5.993 13.787 2.545 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.017 14.619 3.145 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.241 12.617 3.474 1.00 0.00 C ATOM 0 H THR A 121 -3.949 12.466 2.170 1.00 0.00 H new ATOM 0 HA THR A 121 -6.321 12.723 0.714 1.00 0.00 H new ATOM 0 HB THR A 121 -6.932 14.323 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.428 15.470 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.554 12.987 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.024 11.982 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.324 12.038 3.583 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.299 15.337 0.500 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.009 16.515 -0.306 1.00 0.00 C ATOM 2024 C ALA A 122 -3.792 16.101 -1.753 1.00 0.00 C ATOM 2025 O ALA A 122 -4.386 16.662 -2.677 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.787 17.244 0.233 1.00 0.00 C ATOM 0 H ALA A 122 -3.626 15.155 1.244 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.857 17.198 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.586 18.121 -0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.973 17.556 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.925 16.577 0.207 1.00 0.00 H new ATOM 2032 N MET A 123 -2.952 15.088 -1.933 1.00 0.00 N ATOM 2033 CA MET A 123 -2.665 14.556 -3.255 1.00 0.00 C ATOM 2034 C MET A 123 -3.955 14.104 -3.921 1.00 0.00 C ATOM 2035 O MET A 123 -4.106 14.195 -5.138 1.00 0.00 O ATOM 2036 CB MET A 123 -1.675 13.393 -3.150 1.00 0.00 C ATOM 2037 CG MET A 123 -0.708 13.312 -4.319 1.00 0.00 C ATOM 2038 SD MET A 123 -1.534 12.910 -5.870 1.00 0.00 S ATOM 2039 CE MET A 123 -2.588 11.563 -5.340 1.00 0.00 C ATOM 0 H MET A 123 -2.457 14.619 -1.175 1.00 0.00 H new ATOM 0 HA MET A 123 -2.213 15.338 -3.866 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.107 13.492 -2.225 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.231 12.458 -3.083 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.189 14.265 -4.424 1.00 0.00 H new ATOM 0 HG3 MET A 123 0.050 12.557 -4.108 1.00 0.00 H new ATOM 0 HE1 MET A 123 -2.660 10.823 -6.137 1.00 0.00 H new ATOM 0 HE2 MET A 123 -2.164 11.098 -4.450 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.582 11.947 -5.111 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.893 13.628 -3.106 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.181 13.181 -3.609 1.00 0.00 C ATOM 2051 C LEU A 124 -6.982 14.369 -4.118 1.00 0.00 C ATOM 2052 O LEU A 124 -7.550 14.331 -5.210 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.964 12.454 -2.514 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.871 11.331 -3.016 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.197 9.977 -2.838 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.213 11.362 -2.301 1.00 0.00 C ATOM 0 H LEU A 124 -4.782 13.544 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.009 12.487 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.257 12.038 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.573 13.182 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.050 11.487 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.859 9.191 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.265 9.957 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.984 9.813 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.843 10.554 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.057 11.236 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.702 12.318 -2.486 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.006 15.434 -3.323 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.721 16.649 -3.694 1.00 0.00 C ATOM 2070 C GLN A 125 -7.303 17.093 -5.089 1.00 0.00 C ATOM 2071 O GLN A 125 -8.130 17.524 -5.891 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.446 17.764 -2.684 1.00 0.00 C ATOM 2073 CG GLN A 125 -7.994 17.476 -1.295 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.466 17.116 -1.312 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.319 17.955 -1.601 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -9.774 15.862 -1.002 1.00 0.00 N ATOM 0 H GLN A 125 -6.538 15.480 -2.418 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.790 16.437 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.370 17.923 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.883 18.692 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.429 16.658 -0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.845 18.350 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.036 15.198 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -10.749 15.563 -0.997 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.011 16.962 -5.375 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.480 17.330 -6.679 1.00 0.00 C ATOM 2087 C ASN A 126 -5.773 16.235 -7.697 1.00 0.00 C ATOM 2088 O ASN A 126 -5.984 16.508 -8.878 1.00 0.00 O ATOM 2089 CB ASN A 126 -3.974 17.583 -6.594 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.608 18.503 -5.445 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.233 19.545 -5.247 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.590 18.121 -4.682 1.00 0.00 N ATOM 0 H ASN A 126 -5.315 16.604 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 126 -5.968 18.250 -7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.454 16.632 -6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.628 18.020 -7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.298 18.700 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.101 17.249 -4.883 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.800 14.993 -7.223 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.085 13.854 -8.084 1.00 0.00 C ATOM 2101 C LEU A 127 -7.570 13.799 -8.443 1.00 0.00 C ATOM 2102 O LEU A 127 -7.986 12.987 -9.269 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.673 12.554 -7.387 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.121 11.468 -8.311 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.672 11.764 -8.671 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -5.242 10.103 -7.651 1.00 0.00 C ATOM 0 H LEU A 127 -5.628 14.751 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.511 13.970 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.919 12.787 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.538 12.154 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.707 11.460 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.294 10.982 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.613 12.726 -9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.071 11.796 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.845 9.339 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.677 10.098 -6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.291 9.892 -7.441 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.365 14.666 -7.817 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.800 14.707 -8.072 1.00 0.00 C ATOM 2120 C LEU A 128 -10.101 15.370 -9.414 1.00 0.00 C ATOM 2121 O LEU A 128 -11.139 15.111 -10.023 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.520 15.453 -6.945 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.695 14.655 -5.651 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.059 15.578 -4.499 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.752 13.578 -5.826 1.00 0.00 C ATOM 0 H LEU A 128 -8.038 15.347 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.164 13.680 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -9.965 16.364 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.504 15.758 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.747 14.170 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.179 14.992 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.266 16.312 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.993 16.092 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.862 13.021 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.704 14.041 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.450 12.898 -6.622 1.00 0.00 H new