USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 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 39 GLN : amide:sc= -1.48 K(o=-1.9,f=-8.9!) USER MOD Set 1.2: A 89 MET CE :methyl 168:sc= -0.423 (180deg=-0.35) USER MOD Single : A 14 GLN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.303! C(o=0.3!,f=-5.7!) USER MOD Single : A 20 ASN : amide:sc= -2.53 X(o=-2.5,f=-2.3!) USER MOD Single : A 21 ASN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -54:sc= 0.316 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -91:sc= 0.598 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 88:sc= 0.403 USER MOD Single : A 56 GLN : amide:sc= -4.63! C(o=-4.6!,f=-4.8!) USER MOD Single : A 64 GLN : amide:sc= 0.867 K(o=0.87,f=-0.034) USER MOD Single : A 66 MET CE :methyl 150:sc= -0.305 (180deg=-1.36) USER MOD Single : A 86 MET CE :methyl 157:sc= -0.374 (180deg=-0.901) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -5.657 13.748 0.410 1.00 0.00 N ATOM 127 CA VAL A 9 -5.244 12.375 0.658 1.00 0.00 C ATOM 128 C VAL A 9 -5.133 12.098 2.151 1.00 0.00 C ATOM 129 O VAL A 9 -4.810 12.984 2.941 1.00 0.00 O ATOM 130 CB VAL A 9 -3.887 12.064 -0.015 1.00 0.00 C ATOM 131 CG1 VAL A 9 -2.844 13.097 0.384 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.411 10.656 0.336 1.00 0.00 C ATOM 0 HA VAL A 9 -6.010 11.731 0.227 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.026 12.113 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.896 12.862 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.175 14.087 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.713 13.083 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.455 10.463 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.292 10.571 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.146 9.927 -0.007 1.00 0.00 H new ATOM 142 N GLY A 10 -5.389 10.852 2.518 1.00 0.00 N ATOM 143 CA GLY A 10 -5.271 10.445 3.899 1.00 0.00 C ATOM 144 C GLY A 10 -3.820 10.271 4.296 1.00 0.00 C ATOM 145 O GLY A 10 -3.405 10.689 5.376 1.00 0.00 O ATOM 0 H GLY A 10 -5.678 10.112 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.740 11.190 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.808 9.509 4.052 1.00 0.00 H new ATOM 149 N TRP A 11 -3.039 9.688 3.389 1.00 0.00 N ATOM 150 CA TRP A 11 -1.613 9.485 3.614 1.00 0.00 C ATOM 151 C TRP A 11 -0.852 10.800 3.440 1.00 0.00 C ATOM 152 O TRP A 11 -1.099 11.552 2.497 1.00 0.00 O ATOM 153 CB TRP A 11 -1.078 8.405 2.655 1.00 0.00 C ATOM 154 CG TRP A 11 0.414 8.412 2.476 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.312 7.559 3.049 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.177 9.310 1.662 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.587 7.874 2.645 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.529 8.944 1.793 1.00 0.00 C ATOM 159 CE3 TRP A 11 0.847 10.389 0.836 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.550 9.621 1.130 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.862 11.058 0.179 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.199 10.672 0.329 1.00 0.00 C ATOM 0 H TRP A 11 -3.374 9.347 2.488 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.460 9.143 4.637 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.382 7.426 3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.548 8.537 1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.058 6.754 3.722 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.437 7.390 2.933 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.182 10.694 0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.583 9.326 1.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.619 11.893 -0.461 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.969 11.215 -0.199 1.00 0.00 H new ATOM 173 N ASP A 12 0.068 11.071 4.360 1.00 0.00 N ATOM 174 CA ASP A 12 0.864 12.293 4.309 1.00 0.00 C ATOM 175 C ASP A 12 2.359 11.970 4.339 1.00 0.00 C ATOM 176 O ASP A 12 2.803 11.134 5.126 1.00 0.00 O ATOM 177 CB ASP A 12 0.507 13.207 5.483 1.00 0.00 C ATOM 178 CG ASP A 12 0.448 14.667 5.081 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.081 14.960 3.988 1.00 0.00 O ATOM 180 OD2 ASP A 12 0.933 15.517 5.856 1.00 0.00 O ATOM 0 H ASP A 12 0.281 10.462 5.150 1.00 0.00 H new ATOM 0 HA ASP A 12 0.638 12.806 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.457 12.907 5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.244 13.081 6.276 1.00 0.00 H new ATOM 185 N PRO A 13 3.159 12.633 3.482 1.00 0.00 N ATOM 186 CA PRO A 13 4.608 12.404 3.419 1.00 0.00 C ATOM 187 C PRO A 13 5.290 12.647 4.760 1.00 0.00 C ATOM 188 O PRO A 13 5.802 13.737 5.017 1.00 0.00 O ATOM 189 CB PRO A 13 5.094 13.424 2.384 1.00 0.00 C ATOM 190 CG PRO A 13 3.889 13.756 1.573 1.00 0.00 C ATOM 191 CD PRO A 13 2.717 13.645 2.507 1.00 0.00 C ATOM 0 HA PRO A 13 4.842 11.372 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.502 14.312 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.886 13.008 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.963 14.761 1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.784 13.071 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.494 14.597 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.813 13.333 1.984 1.00 0.00 H new ATOM 199 N GLN A 14 5.298 11.626 5.610 1.00 0.00 N ATOM 200 CA GLN A 14 5.921 11.729 6.925 1.00 0.00 C ATOM 201 C GLN A 14 5.639 10.485 7.760 1.00 0.00 C ATOM 202 O GLN A 14 6.497 9.615 7.907 1.00 0.00 O ATOM 203 CB GLN A 14 5.413 12.971 7.659 1.00 0.00 C ATOM 204 CG GLN A 14 6.431 14.097 7.728 1.00 0.00 C ATOM 205 CD GLN A 14 5.786 15.456 7.914 1.00 0.00 C ATOM 206 OE1 GLN A 14 5.878 16.058 8.985 1.00 0.00 O ATOM 207 NE2 GLN A 14 5.126 15.947 6.872 1.00 0.00 N ATOM 0 H GLN A 14 4.880 10.717 5.412 1.00 0.00 H new ATOM 0 HA GLN A 14 6.998 11.814 6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.515 13.335 7.161 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.124 12.691 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.119 13.910 8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.024 14.102 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.075 15.414 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.670 16.857 6.940 1.00 0.00 H new ATOM 216 N ASN A 15 4.430 10.411 8.308 1.00 0.00 N ATOM 217 CA ASN A 15 4.031 9.277 9.134 1.00 0.00 C ATOM 218 C ASN A 15 3.904 8.009 8.296 1.00 0.00 C ATOM 219 O ASN A 15 4.405 6.951 8.675 1.00 0.00 O ATOM 220 CB ASN A 15 2.704 9.574 9.835 1.00 0.00 C ATOM 221 CG ASN A 15 2.608 11.011 10.310 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.816 11.947 9.537 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.294 11.194 11.587 1.00 0.00 N ATOM 0 H ASN A 15 3.709 11.124 8.195 1.00 0.00 H new ATOM 0 HA ASN A 15 4.804 9.117 9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.881 9.365 9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.589 8.904 10.687 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.217 12.139 11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.130 10.389 12.192 1.00 0.00 H new ATOM 230 N GLY A 16 3.234 8.124 7.154 1.00 0.00 N ATOM 231 CA GLY A 16 3.056 6.980 6.280 1.00 0.00 C ATOM 232 C GLY A 16 1.686 6.346 6.425 1.00 0.00 C ATOM 233 O GLY A 16 0.702 6.847 5.881 1.00 0.00 O ATOM 0 H GLY A 16 2.811 8.989 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.201 7.291 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.822 6.236 6.500 1.00 0.00 H new ATOM 237 N PHE A 17 1.622 5.242 7.160 1.00 0.00 N ATOM 238 CA PHE A 17 0.364 4.538 7.373 1.00 0.00 C ATOM 239 C PHE A 17 -0.197 4.832 8.761 1.00 0.00 C ATOM 240 O PHE A 17 0.550 5.132 9.692 1.00 0.00 O ATOM 241 CB PHE A 17 0.565 3.031 7.204 1.00 0.00 C ATOM 242 CG PHE A 17 0.445 2.564 5.782 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.739 2.727 5.082 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.516 1.956 5.148 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.852 2.296 3.774 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.410 1.521 3.840 1.00 0.00 C ATOM 247 CZ PHE A 17 0.224 1.689 3.153 1.00 0.00 C ATOM 0 H PHE A 17 2.427 4.815 7.618 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.350 4.890 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.549 2.759 7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.169 2.504 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.584 3.196 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.445 1.820 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.779 2.433 3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.253 1.051 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.137 1.347 2.132 1.00 0.00 H new ATOM 257 N ASP A 18 -1.515 4.741 8.892 1.00 0.00 N ATOM 258 CA ASP A 18 -2.177 4.995 10.166 1.00 0.00 C ATOM 259 C ASP A 18 -2.827 3.725 10.706 1.00 0.00 C ATOM 260 O ASP A 18 -4.050 3.643 10.824 1.00 0.00 O ATOM 261 CB ASP A 18 -3.228 6.093 10.007 1.00 0.00 C ATOM 262 CG ASP A 18 -3.218 7.075 11.162 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.795 6.684 12.270 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.633 8.235 10.959 1.00 0.00 O ATOM 0 H ASP A 18 -2.147 4.493 8.131 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.422 5.325 10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.050 6.630 9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.216 5.638 9.929 1.00 0.00 H new ATOM 269 N VAL A 19 -2.001 2.736 11.029 1.00 0.00 N ATOM 270 CA VAL A 19 -2.495 1.468 11.554 1.00 0.00 C ATOM 271 C VAL A 19 -3.408 1.689 12.756 1.00 0.00 C ATOM 272 O VAL A 19 -4.315 0.897 13.011 1.00 0.00 O ATOM 273 CB VAL A 19 -1.336 0.543 11.967 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.457 0.222 10.769 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.520 1.176 13.083 1.00 0.00 C ATOM 0 H VAL A 19 -0.987 2.788 10.937 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.062 0.993 10.753 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.755 -0.391 12.341 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.357 -0.433 11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.052 -0.277 10.004 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.045 1.145 10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.295 0.508 13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.109 2.126 12.740 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.160 1.349 13.948 1.00 0.00 H new ATOM 285 N ASN A 20 -3.162 2.770 13.489 1.00 0.00 N ATOM 286 CA ASN A 20 -3.963 3.094 14.664 1.00 0.00 C ATOM 287 C ASN A 20 -5.352 3.582 14.260 1.00 0.00 C ATOM 288 O ASN A 20 -6.324 3.391 14.991 1.00 0.00 O ATOM 289 CB ASN A 20 -3.260 4.161 15.506 1.00 0.00 C ATOM 290 CG ASN A 20 -2.879 5.382 14.693 1.00 0.00 C ATOM 291 OD1 ASN A 20 -1.765 5.477 14.178 1.00 0.00 O ATOM 292 ND2 ASN A 20 -3.805 6.327 14.575 1.00 0.00 N ATOM 0 H ASN A 20 -2.415 3.436 13.290 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.076 2.187 15.258 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.914 4.463 16.324 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.364 3.733 15.955 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.605 7.173 14.041 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.716 6.207 15.019 1.00 0.00 H new ATOM 299 N ASN A 21 -5.437 4.210 13.092 1.00 0.00 N ATOM 300 CA ASN A 21 -6.706 4.723 12.591 1.00 0.00 C ATOM 301 C ASN A 21 -7.025 4.145 11.216 1.00 0.00 C ATOM 302 O ASN A 21 -7.616 4.817 10.371 1.00 0.00 O ATOM 303 CB ASN A 21 -6.668 6.251 12.515 1.00 0.00 C ATOM 304 CG ASN A 21 -7.993 6.884 12.894 1.00 0.00 C ATOM 305 OD1 ASN A 21 -8.109 7.533 13.935 1.00 0.00 O ATOM 306 ND2 ASN A 21 -9.001 6.697 12.052 1.00 0.00 N ATOM 0 H ASN A 21 -4.642 4.376 12.475 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.490 4.418 13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.887 6.625 13.177 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.400 6.555 11.503 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.917 7.098 12.256 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.860 6.152 11.201 1.00 0.00 H new ATOM 313 N LEU A 22 -6.629 2.896 10.998 1.00 0.00 N ATOM 314 CA LEU A 22 -6.870 2.230 9.723 1.00 0.00 C ATOM 315 C LEU A 22 -8.327 1.794 9.601 1.00 0.00 C ATOM 316 O LEU A 22 -8.911 1.271 10.550 1.00 0.00 O ATOM 317 CB LEU A 22 -5.947 1.017 9.575 1.00 0.00 C ATOM 318 CG LEU A 22 -4.995 1.074 8.379 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.927 -0.003 8.496 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.767 0.925 7.077 1.00 0.00 C ATOM 0 H LEU A 22 -6.140 2.324 11.687 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.656 2.941 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.357 0.914 10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.561 0.120 9.490 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.502 2.046 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.259 0.052 7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.355 0.150 9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.401 -0.984 8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.074 0.968 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.287 -0.033 7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.493 1.733 6.990 1.00 0.00 H new ATOM 332 N ASP A 23 -8.908 2.016 8.425 1.00 0.00 N ATOM 333 CA ASP A 23 -10.298 1.650 8.175 1.00 0.00 C ATOM 334 C ASP A 23 -10.459 0.135 8.099 1.00 0.00 C ATOM 335 O ASP A 23 -9.547 -0.576 7.674 1.00 0.00 O ATOM 336 CB ASP A 23 -10.789 2.291 6.876 1.00 0.00 C ATOM 337 CG ASP A 23 -11.869 3.327 7.113 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.526 4.466 7.493 1.00 0.00 O ATOM 339 OD2 ASP A 23 -13.058 3.001 6.914 1.00 0.00 O ATOM 0 H ASP A 23 -8.437 2.448 7.630 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.899 2.019 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.948 2.758 6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.173 1.515 6.214 1.00 0.00 H new ATOM 344 N PRO A 24 -11.630 -0.381 8.509 1.00 0.00 N ATOM 345 CA PRO A 24 -11.913 -1.819 8.485 1.00 0.00 C ATOM 346 C PRO A 24 -11.594 -2.451 7.134 1.00 0.00 C ATOM 347 O PRO A 24 -10.763 -3.357 7.042 1.00 0.00 O ATOM 348 CB PRO A 24 -13.414 -1.888 8.769 1.00 0.00 C ATOM 349 CG PRO A 24 -13.702 -0.656 9.557 1.00 0.00 C ATOM 350 CD PRO A 24 -12.769 0.398 9.032 1.00 0.00 C ATOM 0 HA PRO A 24 -11.304 -2.367 9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.992 -1.912 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.671 -2.787 9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.742 -0.351 9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.539 -0.826 10.621 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.238 0.997 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.458 1.086 9.818 1.00 0.00 H new ATOM 358 N ASP A 25 -12.257 -1.971 6.087 1.00 0.00 N ATOM 359 CA ASP A 25 -12.041 -2.490 4.741 1.00 0.00 C ATOM 360 C ASP A 25 -10.565 -2.433 4.366 1.00 0.00 C ATOM 361 O ASP A 25 -9.984 -3.429 3.935 1.00 0.00 O ATOM 362 CB ASP A 25 -12.864 -1.695 3.725 1.00 0.00 C ATOM 363 CG ASP A 25 -14.221 -2.318 3.465 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.287 -3.556 3.313 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.219 -1.568 3.412 1.00 0.00 O ATOM 0 H ASP A 25 -12.948 -1.223 6.145 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.363 -3.531 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.999 -0.676 4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.312 -1.628 2.787 1.00 0.00 H new ATOM 370 N LEU A 26 -9.964 -1.259 4.530 1.00 0.00 N ATOM 371 CA LEU A 26 -8.556 -1.071 4.206 1.00 0.00 C ATOM 372 C LEU A 26 -7.685 -2.070 4.961 1.00 0.00 C ATOM 373 O LEU A 26 -6.758 -2.651 4.396 1.00 0.00 O ATOM 374 CB LEU A 26 -8.119 0.357 4.541 1.00 0.00 C ATOM 375 CG LEU A 26 -7.188 1.005 3.514 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.799 0.390 3.594 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.758 0.861 2.111 1.00 0.00 C ATOM 0 H LEU A 26 -10.430 -0.424 4.885 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.431 -1.241 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.009 0.978 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.619 0.350 5.509 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.107 2.068 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.149 0.862 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.389 0.546 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.862 -0.679 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.082 1.328 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.869 -0.196 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.732 1.348 2.062 1.00 0.00 H new ATOM 389 N ARG A 27 -7.990 -2.267 6.240 1.00 0.00 N ATOM 390 CA ARG A 27 -7.234 -3.199 7.070 1.00 0.00 C ATOM 391 C ARG A 27 -7.202 -4.586 6.439 1.00 0.00 C ATOM 392 O ARG A 27 -6.158 -5.237 6.399 1.00 0.00 O ATOM 393 CB ARG A 27 -7.842 -3.277 8.472 1.00 0.00 C ATOM 394 CG ARG A 27 -6.934 -2.730 9.561 1.00 0.00 C ATOM 395 CD ARG A 27 -6.968 -3.602 10.805 1.00 0.00 C ATOM 396 NE ARG A 27 -5.757 -3.455 11.608 1.00 0.00 N ATOM 397 CZ ARG A 27 -5.649 -3.884 12.861 1.00 0.00 C ATOM 398 NH1 ARG A 27 -6.674 -4.485 13.451 1.00 0.00 N ATOM 399 NH2 ARG A 27 -4.515 -3.713 13.526 1.00 0.00 N ATOM 0 H ARG A 27 -8.754 -1.795 6.724 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.211 -2.830 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.782 -2.724 8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.081 -4.316 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.912 -2.668 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.242 -1.716 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.837 -3.340 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.085 -4.646 10.513 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.950 -2.998 11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.548 -4.619 12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.588 -4.813 14.413 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.724 -3.252 13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.433 -4.043 14.488 1.00 0.00 H new ATOM 413 N SER A 28 -8.353 -5.034 5.950 1.00 0.00 N ATOM 414 CA SER A 28 -8.455 -6.344 5.319 1.00 0.00 C ATOM 415 C SER A 28 -7.814 -6.329 3.935 1.00 0.00 C ATOM 416 O SER A 28 -7.370 -7.362 3.434 1.00 0.00 O ATOM 417 CB SER A 28 -9.921 -6.770 5.210 1.00 0.00 C ATOM 418 OG SER A 28 -10.705 -6.168 6.226 1.00 0.00 O ATOM 0 H SER A 28 -9.227 -4.510 5.978 1.00 0.00 H new ATOM 0 HA SER A 28 -7.922 -7.063 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.312 -6.491 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.994 -7.855 5.285 1.00 0.00 H new ATOM 0 HG SER A 28 -11.637 -6.455 6.133 1.00 0.00 H new ATOM 424 N LEU A 29 -7.769 -5.151 3.322 1.00 0.00 N ATOM 425 CA LEU A 29 -7.177 -5.000 1.998 1.00 0.00 C ATOM 426 C LEU A 29 -5.679 -5.292 2.035 1.00 0.00 C ATOM 427 O LEU A 29 -5.077 -5.622 1.013 1.00 0.00 O ATOM 428 CB LEU A 29 -7.423 -3.585 1.466 1.00 0.00 C ATOM 429 CG LEU A 29 -7.073 -3.366 -0.010 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.522 -4.551 -0.855 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.703 -2.079 -0.521 1.00 0.00 C ATOM 0 H LEU A 29 -8.135 -4.287 3.721 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.651 -5.719 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.474 -3.338 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.844 -2.884 2.067 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.990 -3.279 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.263 -4.373 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.024 -5.456 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.601 -4.674 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.444 -1.939 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.787 -2.139 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.330 -1.236 0.060 1.00 0.00 H new ATOM 443 N PHE A 30 -5.084 -5.177 3.219 1.00 0.00 N ATOM 444 CA PHE A 30 -3.660 -5.431 3.387 1.00 0.00 C ATOM 445 C PHE A 30 -3.404 -6.894 3.737 1.00 0.00 C ATOM 446 O PHE A 30 -2.615 -7.571 3.079 1.00 0.00 O ATOM 447 CB PHE A 30 -3.087 -4.526 4.478 1.00 0.00 C ATOM 448 CG PHE A 30 -2.875 -3.110 4.029 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.257 -2.839 2.819 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.296 -2.051 4.815 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.061 -1.537 2.402 1.00 0.00 C ATOM 452 CE2 PHE A 30 -3.103 -0.745 4.404 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.484 -0.488 3.196 1.00 0.00 C ATOM 0 H PHE A 30 -5.568 -4.909 4.076 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.163 -5.211 2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.761 -4.530 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.137 -4.937 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.925 -3.655 2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.781 -2.247 5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.578 -1.339 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.436 0.073 5.026 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.331 0.531 2.873 1.00 0.00 H new ATOM 463 N SER A 31 -4.075 -7.373 4.778 1.00 0.00 N ATOM 464 CA SER A 31 -3.921 -8.755 5.216 1.00 0.00 C ATOM 465 C SER A 31 -4.275 -9.732 4.097 1.00 0.00 C ATOM 466 O SER A 31 -3.855 -10.889 4.117 1.00 0.00 O ATOM 467 CB SER A 31 -4.801 -9.027 6.438 1.00 0.00 C ATOM 468 OG SER A 31 -4.019 -9.419 7.554 1.00 0.00 O ATOM 0 H SER A 31 -4.731 -6.825 5.334 1.00 0.00 H new ATOM 0 HA SER A 31 -2.875 -8.904 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.371 -8.132 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.523 -9.809 6.203 1.00 0.00 H new ATOM 0 HG SER A 31 -4.605 -9.585 8.322 1.00 0.00 H new ATOM 474 N ARG A 32 -5.049 -9.262 3.124 1.00 0.00 N ATOM 475 CA ARG A 32 -5.455 -10.100 2.003 1.00 0.00 C ATOM 476 C ARG A 32 -4.353 -10.182 0.954 1.00 0.00 C ATOM 477 O ARG A 32 -4.284 -11.141 0.185 1.00 0.00 O ATOM 478 CB ARG A 32 -6.737 -9.555 1.369 1.00 0.00 C ATOM 479 CG ARG A 32 -7.988 -9.852 2.179 1.00 0.00 C ATOM 480 CD ARG A 32 -9.137 -8.941 1.780 1.00 0.00 C ATOM 481 NE ARG A 32 -10.309 -9.696 1.350 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.537 -9.190 1.311 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.750 -7.934 1.677 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.553 -9.941 0.907 1.00 0.00 N ATOM 0 H ARG A 32 -5.407 -8.307 3.090 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.643 -11.104 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.641 -8.476 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.850 -9.981 0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.279 -10.892 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.774 -9.727 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.405 -8.305 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.814 -8.282 0.974 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.178 -10.666 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.971 -7.355 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.693 -7.547 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.392 -10.908 0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.495 -9.551 0.878 1.00 0.00 H new ATOM 498 N ALA A 33 -3.491 -9.169 0.925 1.00 0.00 N ATOM 499 CA ALA A 33 -2.391 -9.133 -0.032 1.00 0.00 C ATOM 500 C ALA A 33 -1.114 -9.699 0.579 1.00 0.00 C ATOM 501 O ALA A 33 -0.222 -10.155 -0.136 1.00 0.00 O ATOM 502 CB ALA A 33 -2.164 -7.710 -0.520 1.00 0.00 C ATOM 0 H ALA A 33 -3.533 -8.365 1.551 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.660 -9.757 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.340 -7.697 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.069 -7.343 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.920 -7.069 0.327 1.00 0.00 H new ATOM 508 N GLY A 34 -1.034 -9.676 1.907 1.00 0.00 N ATOM 509 CA GLY A 34 0.136 -10.199 2.589 1.00 0.00 C ATOM 510 C GLY A 34 1.008 -9.107 3.177 1.00 0.00 C ATOM 511 O GLY A 34 2.224 -9.265 3.283 1.00 0.00 O ATOM 0 H GLY A 34 -1.758 -9.305 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.183 -10.872 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.725 -10.791 1.889 1.00 0.00 H new ATOM 515 N ILE A 35 0.386 -7.997 3.563 1.00 0.00 N ATOM 516 CA ILE A 35 1.115 -6.878 4.148 1.00 0.00 C ATOM 517 C ILE A 35 0.841 -6.769 5.644 1.00 0.00 C ATOM 518 O ILE A 35 -0.308 -6.837 6.080 1.00 0.00 O ATOM 519 CB ILE A 35 0.744 -5.548 3.467 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.891 -5.672 1.948 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.610 -4.417 4.000 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.657 -4.373 1.210 1.00 0.00 C ATOM 0 H ILE A 35 -0.620 -7.849 3.481 1.00 0.00 H new ATOM 0 HA ILE A 35 2.176 -7.071 3.989 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.296 -5.317 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.892 -6.037 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.187 -6.420 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.334 -3.484 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.459 -4.318 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.659 -4.636 3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.778 -4.536 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.353 -4.017 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.378 -3.628 1.547 1.00 0.00 H new ATOM 534 N SER A 36 1.904 -6.607 6.427 1.00 0.00 N ATOM 535 CA SER A 36 1.776 -6.502 7.875 1.00 0.00 C ATOM 536 C SER A 36 2.144 -5.103 8.361 1.00 0.00 C ATOM 537 O SER A 36 2.678 -4.291 7.605 1.00 0.00 O ATOM 538 CB SER A 36 2.666 -7.540 8.561 1.00 0.00 C ATOM 539 OG SER A 36 2.113 -7.949 9.800 1.00 0.00 O ATOM 0 H SER A 36 2.862 -6.546 6.082 1.00 0.00 H new ATOM 0 HA SER A 36 0.734 -6.692 8.134 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.788 -8.406 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.659 -7.121 8.723 1.00 0.00 H new ATOM 0 HG SER A 36 2.700 -8.614 10.217 1.00 0.00 H new ATOM 545 N GLU A 37 1.856 -4.832 9.630 1.00 0.00 N ATOM 546 CA GLU A 37 2.152 -3.533 10.225 1.00 0.00 C ATOM 547 C GLU A 37 3.611 -3.146 9.997 1.00 0.00 C ATOM 548 O GLU A 37 3.910 -2.015 9.614 1.00 0.00 O ATOM 549 CB GLU A 37 1.850 -3.557 11.725 1.00 0.00 C ATOM 550 CG GLU A 37 1.193 -2.284 12.236 1.00 0.00 C ATOM 551 CD GLU A 37 0.695 -2.420 13.662 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.445 -3.564 14.096 1.00 0.00 O ATOM 553 OE2 GLU A 37 0.555 -1.383 14.342 1.00 0.00 O ATOM 0 H GLU A 37 1.417 -5.496 10.268 1.00 0.00 H new ATOM 0 HA GLU A 37 1.518 -2.789 9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.199 -4.404 11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.779 -3.721 12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.908 -1.463 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.358 -2.024 11.586 1.00 0.00 H new ATOM 560 N ALA A 38 4.514 -4.092 10.241 1.00 0.00 N ATOM 561 CA ALA A 38 5.942 -3.848 10.067 1.00 0.00 C ATOM 562 C ALA A 38 6.231 -3.206 8.714 1.00 0.00 C ATOM 563 O ALA A 38 7.087 -2.328 8.603 1.00 0.00 O ATOM 564 CB ALA A 38 6.721 -5.146 10.215 1.00 0.00 C ATOM 0 H ALA A 38 4.282 -5.033 10.559 1.00 0.00 H new ATOM 0 HA ALA A 38 6.263 -3.154 10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.785 -4.949 10.083 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.550 -5.562 11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.387 -5.859 9.461 1.00 0.00 H new ATOM 570 N GLN A 39 5.512 -3.649 7.690 1.00 0.00 N ATOM 571 CA GLN A 39 5.689 -3.116 6.344 1.00 0.00 C ATOM 572 C GLN A 39 5.022 -1.752 6.206 1.00 0.00 C ATOM 573 O GLN A 39 5.403 -0.947 5.356 1.00 0.00 O ATOM 574 CB GLN A 39 5.115 -4.084 5.310 1.00 0.00 C ATOM 575 CG GLN A 39 6.056 -5.224 4.958 1.00 0.00 C ATOM 576 CD GLN A 39 5.500 -6.127 3.876 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.395 -5.910 3.377 1.00 0.00 O ATOM 578 NE2 GLN A 39 6.265 -7.146 3.505 1.00 0.00 N ATOM 0 H GLN A 39 4.801 -4.376 7.765 1.00 0.00 H new ATOM 0 HA GLN A 39 6.758 -2.997 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.182 -4.498 5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.871 -3.531 4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.010 -4.813 4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.255 -5.815 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.174 -7.288 3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.944 -7.787 2.779 1.00 0.00 H new ATOM 587 N LEU A 40 4.023 -1.498 7.045 1.00 0.00 N ATOM 588 CA LEU A 40 3.302 -0.232 7.012 1.00 0.00 C ATOM 589 C LEU A 40 4.079 0.858 7.745 1.00 0.00 C ATOM 590 O LEU A 40 4.015 2.032 7.380 1.00 0.00 O ATOM 591 CB LEU A 40 1.914 -0.394 7.638 1.00 0.00 C ATOM 592 CG LEU A 40 1.063 -1.518 7.042 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.228 -1.682 7.827 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.766 -1.240 5.575 1.00 0.00 C ATOM 0 H LEU A 40 3.695 -2.152 7.756 1.00 0.00 H new ATOM 0 HA LEU A 40 3.191 0.066 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.033 -0.576 8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.373 0.546 7.533 1.00 0.00 H new ATOM 0 HG LEU A 40 1.625 -2.449 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.820 -2.485 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.005 -1.926 8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.796 -0.752 7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.160 -2.049 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.223 -0.299 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.702 -1.173 5.021 1.00 0.00 H new ATOM 606 N THR A 41 4.812 0.462 8.780 1.00 0.00 N ATOM 607 CA THR A 41 5.603 1.405 9.562 1.00 0.00 C ATOM 608 C THR A 41 6.784 1.927 8.750 1.00 0.00 C ATOM 609 O THR A 41 7.043 3.130 8.717 1.00 0.00 O ATOM 610 CB THR A 41 6.107 0.741 10.845 1.00 0.00 C ATOM 611 OG1 THR A 41 7.154 -0.170 10.558 1.00 0.00 O ATOM 612 CG2 THR A 41 5.031 -0.016 11.593 1.00 0.00 C ATOM 0 H THR A 41 4.875 -0.506 9.097 1.00 0.00 H new ATOM 0 HA THR A 41 4.963 2.247 9.824 1.00 0.00 H new ATOM 0 HB THR A 41 6.455 1.559 11.476 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.852 -0.813 9.883 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.457 -0.461 12.492 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.231 0.670 11.872 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.628 -0.802 10.954 1.00 0.00 H new ATOM 620 N ASP A 42 7.495 1.015 8.096 1.00 0.00 N ATOM 621 CA ASP A 42 8.650 1.381 7.284 1.00 0.00 C ATOM 622 C ASP A 42 8.313 2.528 6.337 1.00 0.00 C ATOM 623 O ASP A 42 7.473 2.387 5.449 1.00 0.00 O ATOM 624 CB ASP A 42 9.140 0.173 6.484 1.00 0.00 C ATOM 625 CG ASP A 42 9.939 -0.797 7.332 1.00 0.00 C ATOM 626 OD1 ASP A 42 11.147 -0.554 7.531 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.356 -1.799 7.796 1.00 0.00 O ATOM 0 H ASP A 42 7.292 0.016 8.112 1.00 0.00 H new ATOM 0 HA ASP A 42 9.442 1.711 7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.283 -0.346 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.756 0.517 5.653 1.00 0.00 H new ATOM 632 N ALA A 43 8.977 3.662 6.532 1.00 0.00 N ATOM 633 CA ALA A 43 8.750 4.832 5.693 1.00 0.00 C ATOM 634 C ALA A 43 8.992 4.506 4.224 1.00 0.00 C ATOM 635 O ALA A 43 8.140 4.761 3.372 1.00 0.00 O ATOM 636 CB ALA A 43 9.641 5.983 6.136 1.00 0.00 C ATOM 0 H ALA A 43 9.676 3.795 7.263 1.00 0.00 H new ATOM 0 HA ALA A 43 7.708 5.133 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.460 6.849 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.416 6.240 7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.687 5.686 6.055 1.00 0.00 H new ATOM 642 N GLU A 44 10.159 3.940 3.934 1.00 0.00 N ATOM 643 CA GLU A 44 10.511 3.577 2.566 1.00 0.00 C ATOM 644 C GLU A 44 9.433 2.696 1.944 1.00 0.00 C ATOM 645 O GLU A 44 8.983 2.944 0.826 1.00 0.00 O ATOM 646 CB GLU A 44 11.857 2.849 2.540 1.00 0.00 C ATOM 647 CG GLU A 44 12.288 2.416 1.148 1.00 0.00 C ATOM 648 CD GLU A 44 13.716 2.814 0.829 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.018 4.025 0.865 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.533 1.913 0.544 1.00 0.00 O ATOM 0 H GLU A 44 10.876 3.723 4.627 1.00 0.00 H new ATOM 0 HA GLU A 44 10.589 4.494 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.622 3.501 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.798 1.971 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.188 1.334 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.618 2.858 0.410 1.00 0.00 H new ATOM 657 N THR A 45 9.024 1.666 2.678 1.00 0.00 N ATOM 658 CA THR A 45 7.997 0.749 2.201 1.00 0.00 C ATOM 659 C THR A 45 6.648 1.451 2.098 1.00 0.00 C ATOM 660 O THR A 45 5.870 1.192 1.180 1.00 0.00 O ATOM 661 CB THR A 45 7.888 -0.457 3.136 1.00 0.00 C ATOM 662 OG1 THR A 45 9.155 -1.064 3.318 1.00 0.00 O ATOM 663 CG2 THR A 45 6.936 -1.521 2.636 1.00 0.00 C ATOM 0 H THR A 45 9.388 1.446 3.605 1.00 0.00 H new ATOM 0 HA THR A 45 8.284 0.405 1.207 1.00 0.00 H new ATOM 0 HB THR A 45 7.500 -0.061 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.066 -1.832 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.907 -2.347 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.938 -1.096 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.276 -1.888 1.668 1.00 0.00 H new ATOM 671 N SER A 46 6.377 2.343 3.046 1.00 0.00 N ATOM 672 CA SER A 46 5.124 3.090 3.056 1.00 0.00 C ATOM 673 C SER A 46 4.893 3.772 1.712 1.00 0.00 C ATOM 674 O SER A 46 3.841 3.608 1.094 1.00 0.00 O ATOM 675 CB SER A 46 5.137 4.132 4.176 1.00 0.00 C ATOM 676 OG SER A 46 5.677 5.361 3.723 1.00 0.00 O ATOM 0 H SER A 46 7.007 2.566 3.816 1.00 0.00 H new ATOM 0 HA SER A 46 4.309 2.388 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.122 4.290 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.724 3.761 5.016 1.00 0.00 H new ATOM 0 HG SER A 46 6.644 5.373 3.884 1.00 0.00 H new ATOM 682 N LYS A 47 5.888 4.531 1.263 1.00 0.00 N ATOM 683 CA LYS A 47 5.800 5.229 -0.015 1.00 0.00 C ATOM 684 C LYS A 47 5.758 4.232 -1.168 1.00 0.00 C ATOM 685 O LYS A 47 5.093 4.463 -2.178 1.00 0.00 O ATOM 686 CB LYS A 47 6.992 6.173 -0.186 1.00 0.00 C ATOM 687 CG LYS A 47 7.055 6.834 -1.554 1.00 0.00 C ATOM 688 CD LYS A 47 8.253 7.763 -1.669 1.00 0.00 C ATOM 689 CE LYS A 47 7.835 9.159 -2.098 1.00 0.00 C ATOM 690 NZ LYS A 47 7.110 9.879 -1.015 1.00 0.00 N ATOM 0 H LYS A 47 6.764 4.678 1.765 1.00 0.00 H new ATOM 0 HA LYS A 47 4.880 5.813 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.944 6.947 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.913 5.615 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.112 6.068 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.138 7.397 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.768 7.815 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.962 7.357 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.718 9.730 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.197 9.092 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.842 10.827 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.254 9.348 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.727 9.966 -0.182 1.00 0.00 H new ATOM 704 N LEU A 48 6.471 3.124 -1.007 1.00 0.00 N ATOM 705 CA LEU A 48 6.515 2.085 -2.026 1.00 0.00 C ATOM 706 C LEU A 48 5.131 1.484 -2.248 1.00 0.00 C ATOM 707 O LEU A 48 4.756 1.161 -3.374 1.00 0.00 O ATOM 708 CB LEU A 48 7.504 0.987 -1.616 1.00 0.00 C ATOM 709 CG LEU A 48 7.415 -0.315 -2.419 1.00 0.00 C ATOM 710 CD1 LEU A 48 8.042 -0.139 -3.792 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.086 -1.451 -1.663 1.00 0.00 C ATOM 0 H LEU A 48 7.028 2.922 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 48 6.848 2.536 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.516 1.381 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.346 0.755 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 48 6.363 -0.567 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.969 -1.074 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.516 0.647 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.091 0.136 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.014 -2.369 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.135 -1.208 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.590 -1.592 -0.703 1.00 0.00 H new ATOM 723 N ILE A 49 4.382 1.330 -1.162 1.00 0.00 N ATOM 724 CA ILE A 49 3.045 0.755 -1.232 1.00 0.00 C ATOM 725 C ILE A 49 1.993 1.820 -1.517 1.00 0.00 C ATOM 726 O ILE A 49 0.894 1.505 -1.970 1.00 0.00 O ATOM 727 CB ILE A 49 2.681 0.026 0.076 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.727 -1.045 0.395 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.296 -0.595 -0.028 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.872 -1.327 1.874 1.00 0.00 C ATOM 0 H ILE A 49 4.678 1.595 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 49 3.055 0.038 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 49 2.670 0.753 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.458 -1.968 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.691 -0.729 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.055 -1.106 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.560 0.187 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.279 -1.312 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.630 -2.096 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.172 -0.415 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.919 -1.674 2.273 1.00 0.00 H new ATOM 742 N TYR A 50 2.324 3.080 -1.245 1.00 0.00 N ATOM 743 CA TYR A 50 1.373 4.160 -1.462 1.00 0.00 C ATOM 744 C TYR A 50 0.956 4.227 -2.933 1.00 0.00 C ATOM 745 O TYR A 50 -0.101 4.765 -3.262 1.00 0.00 O ATOM 746 CB TYR A 50 1.929 5.515 -0.930 1.00 0.00 C ATOM 747 CG TYR A 50 1.984 6.657 -1.934 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.863 6.617 -3.010 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.167 7.778 -1.795 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.923 7.654 -3.922 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.224 8.817 -2.704 1.00 0.00 C ATOM 752 CZ TYR A 50 2.102 8.750 -3.765 1.00 0.00 C ATOM 753 OH TYR A 50 2.160 9.784 -4.672 1.00 0.00 O ATOM 0 H TYR A 50 3.230 3.373 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 50 0.471 3.951 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.315 5.830 -0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.935 5.346 -0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.510 5.761 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.479 7.835 -0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.610 7.606 -4.754 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.583 9.678 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 50 1.549 9.601 -5.416 1.00 0.00 H new ATOM 763 N ASP A 51 1.771 3.651 -3.808 1.00 0.00 N ATOM 764 CA ASP A 51 1.451 3.615 -5.227 1.00 0.00 C ATOM 765 C ASP A 51 0.135 2.875 -5.469 1.00 0.00 C ATOM 766 O ASP A 51 -0.472 3.007 -6.532 1.00 0.00 O ATOM 767 CB ASP A 51 2.580 2.940 -6.008 1.00 0.00 C ATOM 768 CG ASP A 51 3.886 3.705 -5.918 1.00 0.00 C ATOM 769 OD1 ASP A 51 4.640 3.481 -4.948 1.00 0.00 O ATOM 770 OD2 ASP A 51 4.155 4.528 -6.819 1.00 0.00 O ATOM 0 H ASP A 51 2.654 3.205 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 51 1.340 4.642 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.728 1.930 -5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.289 2.847 -7.054 1.00 0.00 H new ATOM 775 N PHE A 52 -0.303 2.092 -4.480 1.00 0.00 N ATOM 776 CA PHE A 52 -1.537 1.322 -4.608 1.00 0.00 C ATOM 777 C PHE A 52 -2.759 2.148 -4.205 1.00 0.00 C ATOM 778 O PHE A 52 -3.640 2.398 -5.028 1.00 0.00 O ATOM 779 CB PHE A 52 -1.459 0.051 -3.762 1.00 0.00 C ATOM 780 CG PHE A 52 -2.611 -0.886 -3.988 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.589 -1.788 -5.039 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.719 -0.856 -3.157 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.648 -2.650 -5.254 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.781 -1.715 -3.367 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.746 -2.612 -4.417 1.00 0.00 C ATOM 0 H PHE A 52 0.177 1.976 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.649 1.048 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.528 -0.469 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.425 0.326 -2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.734 -1.818 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.753 -0.154 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.617 -3.352 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.638 -1.685 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.576 -3.283 -4.583 1.00 0.00 H new ATOM 795 N ILE A 53 -2.810 2.581 -2.944 1.00 0.00 N ATOM 796 CA ILE A 53 -3.924 3.406 -2.478 1.00 0.00 C ATOM 797 C ILE A 53 -3.944 4.748 -3.212 1.00 0.00 C ATOM 798 O ILE A 53 -4.962 5.439 -3.231 1.00 0.00 O ATOM 799 CB ILE A 53 -3.940 3.606 -0.937 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.724 2.267 -0.226 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.257 4.240 -0.499 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.292 2.418 1.216 1.00 0.00 C ATOM 0 H ILE A 53 -2.104 2.378 -2.237 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.837 2.860 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.127 4.278 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.649 1.691 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.970 1.694 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.254 4.374 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.374 5.209 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.085 3.590 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.157 1.432 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.352 2.967 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.056 2.964 1.770 1.00 0.00 H new ATOM 814 N GLU A 54 -2.816 5.102 -3.833 1.00 0.00 N ATOM 815 CA GLU A 54 -2.711 6.351 -4.580 1.00 0.00 C ATOM 816 C GLU A 54 -3.273 6.197 -5.991 1.00 0.00 C ATOM 817 O GLU A 54 -3.683 7.174 -6.616 1.00 0.00 O ATOM 818 CB GLU A 54 -1.253 6.806 -4.649 1.00 0.00 C ATOM 819 CG GLU A 54 -1.072 8.166 -5.304 1.00 0.00 C ATOM 820 CD GLU A 54 -0.172 8.112 -6.522 1.00 0.00 C ATOM 821 OE1 GLU A 54 0.029 7.004 -7.064 1.00 0.00 O ATOM 822 OE2 GLU A 54 0.331 9.177 -6.937 1.00 0.00 O ATOM 0 H GLU A 54 -1.965 4.540 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.299 7.105 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.843 6.840 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.675 6.065 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.047 8.558 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.652 8.862 -4.578 1.00 0.00 H new ATOM 829 N ASP A 55 -3.283 4.964 -6.488 1.00 0.00 N ATOM 830 CA ASP A 55 -3.786 4.684 -7.829 1.00 0.00 C ATOM 831 C ASP A 55 -5.303 4.531 -7.826 1.00 0.00 C ATOM 832 O ASP A 55 -5.997 5.104 -8.667 1.00 0.00 O ATOM 833 CB ASP A 55 -3.139 3.414 -8.382 1.00 0.00 C ATOM 834 CG ASP A 55 -2.723 3.559 -9.832 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.423 4.270 -10.583 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.698 2.958 -10.219 1.00 0.00 O ATOM 0 H ASP A 55 -2.949 4.143 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.527 5.528 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.266 3.163 -7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.839 2.584 -8.289 1.00 0.00 H new ATOM 841 N GLN A 56 -5.813 3.750 -6.879 1.00 0.00 N ATOM 842 CA GLN A 56 -7.248 3.514 -6.776 1.00 0.00 C ATOM 843 C GLN A 56 -8.012 4.828 -6.660 1.00 0.00 C ATOM 844 O GLN A 56 -9.194 4.902 -6.997 1.00 0.00 O ATOM 845 CB GLN A 56 -7.554 2.623 -5.570 1.00 0.00 C ATOM 846 CG GLN A 56 -7.252 1.152 -5.807 1.00 0.00 C ATOM 847 CD GLN A 56 -5.881 0.749 -5.300 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.604 0.812 -4.103 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.014 0.331 -6.215 1.00 0.00 N ATOM 0 H GLN A 56 -5.254 3.271 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.572 3.008 -7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.974 2.971 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.606 2.731 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.011 0.545 -5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.318 0.939 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.287 0.295 -7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.075 0.046 -5.936 1.00 0.00 H new ATOM 858 N GLY A 57 -7.329 5.866 -6.188 1.00 0.00 N ATOM 859 CA GLY A 57 -7.963 7.163 -6.040 1.00 0.00 C ATOM 860 C GLY A 57 -8.080 7.591 -4.591 1.00 0.00 C ATOM 861 O GLY A 57 -8.157 8.783 -4.295 1.00 0.00 O ATOM 0 H GLY A 57 -6.349 5.832 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.389 7.909 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.957 7.131 -6.487 1.00 0.00 H new ATOM 865 N GLY A 58 -8.099 6.618 -3.687 1.00 0.00 N ATOM 866 CA GLY A 58 -8.203 6.922 -2.271 1.00 0.00 C ATOM 867 C GLY A 58 -8.726 5.754 -1.462 1.00 0.00 C ATOM 868 O GLY A 58 -8.822 4.639 -1.970 1.00 0.00 O ATOM 0 H GLY A 58 -8.044 5.624 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.223 7.212 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.863 7.778 -2.134 1.00 0.00 H new ATOM 872 N LEU A 59 -9.056 5.998 -0.194 1.00 0.00 N ATOM 873 CA LEU A 59 -9.578 4.941 0.664 1.00 0.00 C ATOM 874 C LEU A 59 -11.078 4.796 0.469 1.00 0.00 C ATOM 875 O LEU A 59 -11.565 3.727 0.105 1.00 0.00 O ATOM 876 CB LEU A 59 -9.268 5.241 2.126 1.00 0.00 C ATOM 877 CG LEU A 59 -8.318 4.244 2.776 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.941 4.383 2.162 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.266 4.456 4.279 1.00 0.00 C ATOM 0 H LEU A 59 -8.972 6.909 0.256 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.095 4.003 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.835 6.239 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.201 5.257 2.689 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.683 3.233 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.261 3.669 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.998 4.185 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.571 5.395 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.582 3.734 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.917 5.466 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.262 4.320 4.700 1.00 0.00 H new ATOM 891 N GLU A 60 -11.799 5.899 0.637 1.00 0.00 N ATOM 892 CA GLU A 60 -13.219 5.910 0.334 1.00 0.00 C ATOM 893 C GLU A 60 -13.380 5.599 -1.146 1.00 0.00 C ATOM 894 O GLU A 60 -14.337 4.949 -1.569 1.00 0.00 O ATOM 895 CB GLU A 60 -13.837 7.271 0.667 1.00 0.00 C ATOM 896 CG GLU A 60 -13.086 8.446 0.062 1.00 0.00 C ATOM 897 CD GLU A 60 -14.016 9.530 -0.451 1.00 0.00 C ATOM 898 OE1 GLU A 60 -15.230 9.452 -0.170 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.530 10.455 -1.136 1.00 0.00 O ATOM 0 H GLU A 60 -11.426 6.785 0.977 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.736 5.164 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.868 7.289 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.870 7.390 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.418 8.870 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.461 8.090 -0.757 1.00 0.00 H new ATOM 906 N ALA A 61 -12.373 6.017 -1.911 1.00 0.00 N ATOM 907 CA ALA A 61 -12.302 5.754 -3.332 1.00 0.00 C ATOM 908 C ALA A 61 -12.261 4.251 -3.596 1.00 0.00 C ATOM 909 O ALA A 61 -12.888 3.755 -4.533 1.00 0.00 O ATOM 910 CB ALA A 61 -11.060 6.438 -3.887 1.00 0.00 C ATOM 0 H ALA A 61 -11.582 6.551 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.188 6.149 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.990 6.251 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.126 7.511 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.174 6.042 -3.390 1.00 0.00 H new ATOM 916 N VAL A 62 -11.525 3.531 -2.749 1.00 0.00 N ATOM 917 CA VAL A 62 -11.410 2.080 -2.864 1.00 0.00 C ATOM 918 C VAL A 62 -12.588 1.385 -2.185 1.00 0.00 C ATOM 919 O VAL A 62 -13.271 0.560 -2.792 1.00 0.00 O ATOM 920 CB VAL A 62 -10.091 1.571 -2.240 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.022 0.049 -2.264 1.00 0.00 C ATOM 922 CG2 VAL A 62 -8.897 2.172 -2.961 1.00 0.00 C ATOM 0 H VAL A 62 -10.998 3.933 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.414 1.840 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.065 1.890 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.083 -0.280 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.857 -0.362 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.077 -0.302 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.976 1.803 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.925 1.886 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.932 3.258 -2.879 1.00 0.00 H new ATOM 932 N ARG A 63 -12.814 1.718 -0.916 1.00 0.00 N ATOM 933 CA ARG A 63 -13.903 1.124 -0.146 1.00 0.00 C ATOM 934 C ARG A 63 -15.206 1.135 -0.940 1.00 0.00 C ATOM 935 O ARG A 63 -16.079 0.292 -0.733 1.00 0.00 O ATOM 936 CB ARG A 63 -14.091 1.878 1.172 1.00 0.00 C ATOM 937 CG ARG A 63 -13.418 1.207 2.358 1.00 0.00 C ATOM 938 CD ARG A 63 -14.028 1.657 3.677 1.00 0.00 C ATOM 939 NE ARG A 63 -13.881 3.094 3.887 1.00 0.00 N ATOM 940 CZ ARG A 63 -14.549 3.775 4.812 1.00 0.00 C ATOM 941 NH1 ARG A 63 -15.409 3.151 5.606 1.00 0.00 N ATOM 942 NH2 ARG A 63 -14.359 5.079 4.942 1.00 0.00 N ATOM 0 H ARG A 63 -12.256 2.397 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.639 0.088 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.694 2.887 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.157 1.975 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.510 0.125 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.353 1.438 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.086 1.395 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.552 1.120 4.498 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.229 3.604 3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.558 2.147 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.921 3.675 6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.699 5.562 4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.872 5.601 5.652 1.00 0.00 H new ATOM 956 N GLN A 64 -15.321 2.088 -1.856 1.00 0.00 N ATOM 957 CA GLN A 64 -16.513 2.217 -2.682 1.00 0.00 C ATOM 958 C GLN A 64 -16.515 1.194 -3.816 1.00 0.00 C ATOM 959 O GLN A 64 -17.573 0.784 -4.291 1.00 0.00 O ATOM 960 CB GLN A 64 -16.594 3.631 -3.263 1.00 0.00 C ATOM 961 CG GLN A 64 -17.646 4.505 -2.599 1.00 0.00 C ATOM 962 CD GLN A 64 -17.483 5.973 -2.940 1.00 0.00 C ATOM 963 OE1 GLN A 64 -18.406 6.611 -3.449 1.00 0.00 O ATOM 964 NE2 GLN A 64 -16.305 6.519 -2.661 1.00 0.00 N ATOM 0 H GLN A 64 -14.600 2.785 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.382 2.029 -2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.620 4.111 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -16.810 3.564 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.637 4.172 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.589 4.378 -1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.568 5.954 -2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.137 7.504 -2.868 1.00 0.00 H new ATOM 973 N GLU A 65 -15.323 0.798 -4.254 1.00 0.00 N ATOM 974 CA GLU A 65 -15.193 -0.157 -5.350 1.00 0.00 C ATOM 975 C GLU A 65 -15.274 -1.597 -4.854 1.00 0.00 C ATOM 976 O GLU A 65 -16.129 -2.367 -5.295 1.00 0.00 O ATOM 977 CB GLU A 65 -13.869 0.061 -6.086 1.00 0.00 C ATOM 978 CG GLU A 65 -13.588 -0.982 -7.154 1.00 0.00 C ATOM 979 CD GLU A 65 -13.544 -0.391 -8.550 1.00 0.00 C ATOM 980 OE1 GLU A 65 -14.277 0.588 -8.803 1.00 0.00 O ATOM 981 OE2 GLU A 65 -12.777 -0.908 -9.390 1.00 0.00 O ATOM 0 H GLU A 65 -14.436 1.122 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.024 0.012 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.878 1.048 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.055 0.055 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.637 -1.469 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.357 -1.753 -7.114 1.00 0.00 H new ATOM 988 N MET A 66 -14.374 -1.964 -3.949 1.00 0.00 N ATOM 989 CA MET A 66 -14.334 -3.324 -3.424 1.00 0.00 C ATOM 990 C MET A 66 -15.617 -3.673 -2.669 1.00 0.00 C ATOM 991 O MET A 66 -15.882 -4.844 -2.397 1.00 0.00 O ATOM 992 CB MET A 66 -13.111 -3.514 -2.521 1.00 0.00 C ATOM 993 CG MET A 66 -13.264 -2.916 -1.130 1.00 0.00 C ATOM 994 SD MET A 66 -13.065 -4.145 0.176 1.00 0.00 S ATOM 995 CE MET A 66 -11.481 -4.861 -0.262 1.00 0.00 C ATOM 0 H MET A 66 -13.664 -1.341 -3.564 1.00 0.00 H new ATOM 0 HA MET A 66 -14.254 -4.004 -4.272 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.906 -4.580 -2.425 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.243 -3.065 -3.004 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.527 -2.125 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.247 -2.454 -1.043 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.975 -5.205 0.640 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.636 -5.704 -0.935 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.867 -4.109 -0.758 1.00 0.00 H new ATOM 1181 N LEU A 81 -9.370 -7.223 -6.193 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.703 -5.942 -5.980 1.00 0.00 C ATOM 1183 C LEU A 81 -7.426 -6.136 -5.168 1.00 0.00 C ATOM 1184 O LEU A 81 -6.438 -5.429 -5.365 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.639 -4.962 -5.262 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.964 -3.709 -4.699 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.413 -2.848 -5.826 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -9.942 -2.914 -3.849 1.00 0.00 C ATOM 0 HA LEU A 81 -8.441 -5.526 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.419 -4.653 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.132 -5.488 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.133 -4.020 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.937 -1.962 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.680 -3.419 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.227 -2.545 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.445 -2.027 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.794 -2.613 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.289 -3.531 -3.021 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.458 -7.102 -4.255 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.304 -7.397 -3.413 1.00 0.00 C ATOM 1202 C VAL A 82 -5.203 -8.081 -4.217 1.00 0.00 C ATOM 1203 O VAL A 82 -4.018 -7.930 -3.919 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.694 -8.293 -2.222 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.483 -8.583 -1.350 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.803 -7.642 -1.407 1.00 0.00 C ATOM 0 H VAL A 82 -8.270 -7.693 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.933 -6.445 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.066 -9.241 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.780 -9.217 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.723 -9.094 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.077 -7.646 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.066 -8.288 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.459 -6.679 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.678 -7.492 -2.039 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.602 -8.825 -5.244 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.636 -9.510 -6.082 1.00 0.00 C ATOM 1218 C GLY A 83 -3.670 -8.551 -6.748 1.00 0.00 C ATOM 1219 O GLY A 83 -2.512 -8.893 -6.990 1.00 0.00 O ATOM 0 H GLY A 83 -6.577 -8.965 -5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.077 -10.225 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.162 -10.082 -6.847 1.00 0.00 H new ATOM 1223 N ALA A 84 -4.147 -7.345 -7.042 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.318 -6.328 -7.677 1.00 0.00 C ATOM 1225 C ALA A 84 -2.198 -5.880 -6.743 1.00 0.00 C ATOM 1226 O ALA A 84 -1.026 -5.876 -7.120 1.00 0.00 O ATOM 1227 CB ALA A 84 -4.168 -5.140 -8.097 1.00 0.00 C ATOM 0 H ALA A 84 -5.104 -7.049 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.864 -6.764 -8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.535 -4.389 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.930 -5.469 -8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.649 -4.709 -7.219 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.566 -5.507 -5.522 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.591 -5.065 -4.532 1.00 0.00 C ATOM 1235 C LEU A 85 -0.481 -6.097 -4.370 1.00 0.00 C ATOM 1236 O LEU A 85 0.675 -5.748 -4.131 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.274 -4.819 -3.185 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.633 -3.734 -2.322 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.443 -3.511 -1.055 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -0.200 -4.108 -1.985 1.00 0.00 C ATOM 0 H LEU A 85 -3.532 -5.502 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.150 -4.132 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.314 -4.550 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.280 -5.753 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.623 -2.802 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.971 -2.735 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.454 -3.201 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.486 -4.438 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.245 -3.326 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.189 -5.051 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.374 -4.216 -2.905 1.00 0.00 H new ATOM 1252 N MET A 86 -0.841 -7.369 -4.503 1.00 0.00 N ATOM 1253 CA MET A 86 0.123 -8.455 -4.374 1.00 0.00 C ATOM 1254 C MET A 86 1.317 -8.234 -5.297 1.00 0.00 C ATOM 1255 O MET A 86 2.466 -8.420 -4.896 1.00 0.00 O ATOM 1256 CB MET A 86 -0.542 -9.796 -4.689 1.00 0.00 C ATOM 1257 CG MET A 86 -1.645 -10.171 -3.711 1.00 0.00 C ATOM 1258 SD MET A 86 -2.166 -11.889 -3.877 1.00 0.00 S ATOM 1259 CE MET A 86 -3.464 -11.970 -2.645 1.00 0.00 C ATOM 0 H MET A 86 -1.794 -7.673 -4.700 1.00 0.00 H new ATOM 0 HA MET A 86 0.481 -8.470 -3.345 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.957 -9.759 -5.696 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.217 -10.578 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.297 -9.998 -2.693 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.503 -9.518 -3.870 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.144 -12.788 -2.886 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.023 -12.142 -1.663 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.016 -11.030 -2.636 1.00 0.00 H new ATOM 1269 N HIS A 87 1.039 -7.828 -6.531 1.00 0.00 N ATOM 1270 CA HIS A 87 2.092 -7.571 -7.506 1.00 0.00 C ATOM 1271 C HIS A 87 2.994 -6.435 -7.036 1.00 0.00 C ATOM 1272 O HIS A 87 4.215 -6.497 -7.178 1.00 0.00 O ATOM 1273 CB HIS A 87 1.484 -7.225 -8.867 1.00 0.00 C ATOM 1274 CG HIS A 87 1.328 -8.408 -9.770 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.815 -8.441 -11.061 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.737 -9.609 -9.562 1.00 0.00 C ATOM 1277 CE1 HIS A 87 1.529 -9.610 -11.607 1.00 0.00 C ATOM 1278 NE2 HIS A 87 0.874 -10.335 -10.719 1.00 0.00 N ATOM 0 H HIS A 87 0.094 -7.670 -6.880 1.00 0.00 H new ATOM 0 HA HIS A 87 2.693 -8.475 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.508 -6.764 -8.713 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.113 -6.483 -9.359 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.249 -9.935 -8.655 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.787 -9.920 -12.609 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.526 -11.282 -10.869 1.00 0.00 H new ATOM 1287 N VAL A 88 2.381 -5.401 -6.471 1.00 0.00 N ATOM 1288 CA VAL A 88 3.124 -4.253 -5.967 1.00 0.00 C ATOM 1289 C VAL A 88 4.082 -4.664 -4.853 1.00 0.00 C ATOM 1290 O VAL A 88 5.068 -3.977 -4.585 1.00 0.00 O ATOM 1291 CB VAL A 88 2.176 -3.160 -5.438 1.00 0.00 C ATOM 1292 CG1 VAL A 88 2.963 -1.939 -4.989 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.150 -2.786 -6.497 1.00 0.00 C ATOM 0 H VAL A 88 1.370 -5.335 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 88 3.696 -3.853 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 88 1.643 -3.555 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.275 -1.179 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.652 -2.223 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.526 -1.539 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.489 -2.013 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.662 -2.411 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.563 -3.666 -6.762 1.00 0.00 H new ATOM 1303 N MET A 89 3.787 -5.787 -4.205 1.00 0.00 N ATOM 1304 CA MET A 89 4.629 -6.290 -3.128 1.00 0.00 C ATOM 1305 C MET A 89 5.805 -7.078 -3.692 1.00 0.00 C ATOM 1306 O MET A 89 6.864 -7.166 -3.069 1.00 0.00 O ATOM 1307 CB MET A 89 3.813 -7.174 -2.182 1.00 0.00 C ATOM 1308 CG MET A 89 3.443 -6.489 -0.877 1.00 0.00 C ATOM 1309 SD MET A 89 4.870 -6.216 0.192 1.00 0.00 S ATOM 1310 CE MET A 89 4.548 -4.550 0.764 1.00 0.00 C ATOM 0 H MET A 89 2.971 -6.365 -4.408 1.00 0.00 H new ATOM 0 HA MET A 89 5.015 -5.438 -2.569 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.901 -7.489 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.382 -8.077 -1.960 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.969 -5.532 -1.095 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.708 -7.096 -0.348 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.217 -4.314 1.591 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.716 -3.846 -0.051 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.514 -4.474 1.101 1.00 0.00 H new ATOM 1320 N GLN A 90 5.614 -7.643 -4.879 1.00 0.00 N ATOM 1321 CA GLN A 90 6.659 -8.417 -5.533 1.00 0.00 C ATOM 1322 C GLN A 90 7.879 -7.547 -5.813 1.00 0.00 C ATOM 1323 O GLN A 90 9.003 -8.042 -5.897 1.00 0.00 O ATOM 1324 CB GLN A 90 6.137 -9.019 -6.839 1.00 0.00 C ATOM 1325 CG GLN A 90 5.455 -10.366 -6.660 1.00 0.00 C ATOM 1326 CD GLN A 90 6.142 -11.475 -7.433 1.00 0.00 C ATOM 1327 OE1 GLN A 90 7.125 -12.054 -6.970 1.00 0.00 O ATOM 1328 NE2 GLN A 90 5.628 -11.777 -8.619 1.00 0.00 N ATOM 0 H GLN A 90 4.744 -7.579 -5.407 1.00 0.00 H new ATOM 0 HA GLN A 90 6.954 -9.225 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.433 -8.323 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.968 -9.132 -7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.439 -10.623 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.418 -10.290 -6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.812 -11.272 -8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.049 -12.514 -9.184 1.00 0.00 H new ATOM 1337 N LYS A 91 7.648 -6.246 -5.955 1.00 0.00 N ATOM 1338 CA LYS A 91 8.725 -5.300 -6.224 1.00 0.00 C ATOM 1339 C LYS A 91 9.722 -5.266 -5.069 1.00 0.00 C ATOM 1340 O LYS A 91 10.929 -5.388 -5.274 1.00 0.00 O ATOM 1341 CB LYS A 91 8.150 -3.902 -6.461 1.00 0.00 C ATOM 1342 CG LYS A 91 9.210 -2.821 -6.593 1.00 0.00 C ATOM 1343 CD LYS A 91 10.057 -3.023 -7.839 1.00 0.00 C ATOM 1344 CE LYS A 91 10.460 -1.694 -8.459 1.00 0.00 C ATOM 1345 NZ LYS A 91 11.541 -1.023 -7.683 1.00 0.00 N ATOM 0 H LYS A 91 6.723 -5.822 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 91 9.251 -5.628 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.544 -3.917 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.485 -3.648 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.731 -1.843 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.850 -2.828 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.951 -3.593 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.500 -3.612 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.797 -1.858 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.590 -1.039 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.787 -0.121 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.212 -0.843 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.380 -1.636 -7.655 1.00 0.00 H new ATOM 1359 N ARG A 92 9.206 -5.099 -3.856 1.00 0.00 N ATOM 1360 CA ARG A 92 10.050 -5.049 -2.668 1.00 0.00 C ATOM 1361 C ARG A 92 10.906 -6.305 -2.552 1.00 0.00 C ATOM 1362 O ARG A 92 12.094 -6.233 -2.236 1.00 0.00 O ATOM 1363 CB ARG A 92 9.188 -4.889 -1.413 1.00 0.00 C ATOM 1364 CG ARG A 92 9.918 -4.231 -0.253 1.00 0.00 C ATOM 1365 CD ARG A 92 10.769 -5.233 0.510 1.00 0.00 C ATOM 1366 NE ARG A 92 11.474 -4.611 1.628 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.194 -5.292 2.514 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.302 -6.610 2.413 1.00 0.00 N ATOM 1369 NH2 ARG A 92 12.807 -4.656 3.502 1.00 0.00 N ATOM 0 H ARG A 92 8.208 -4.996 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 92 10.713 -4.188 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.307 -4.296 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.833 -5.871 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.550 -3.427 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.194 -3.777 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.135 -6.037 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.492 -5.686 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 92 11.410 -3.599 1.735 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.832 -7.104 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.855 -7.130 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.727 -3.642 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.359 -5.180 4.181 1.00 0.00 H new ATOM 1383 N SER A 93 10.294 -7.456 -2.809 1.00 0.00 N ATOM 1384 CA SER A 93 10.998 -8.731 -2.732 1.00 0.00 C ATOM 1385 C SER A 93 12.212 -8.739 -3.656 1.00 0.00 C ATOM 1386 O SER A 93 13.295 -9.175 -3.267 1.00 0.00 O ATOM 1387 CB SER A 93 10.056 -9.879 -3.099 1.00 0.00 C ATOM 1388 OG SER A 93 9.095 -10.095 -2.079 1.00 0.00 O ATOM 0 H SER A 93 9.312 -7.532 -3.073 1.00 0.00 H new ATOM 0 HA SER A 93 11.343 -8.866 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.550 -9.653 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.633 -10.790 -3.259 1.00 0.00 H new ATOM 0 HG SER A 93 8.504 -10.832 -2.338 1.00 0.00 H new