USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot 120:sc= 1.27 USER MOD Set 1.3: A 51 HIS : no HE2:sc= -2.94! C(o=-1.7!,f=-5.7!) USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= -15.1! C(o=-26!,f=-21!) USER MOD Set 2.2: A 69 GLN : amide:sc= -6.2! C(o=-21!,f=-23!) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.358 K(o=-1.9,f=-4.4!) USER MOD Set 3.2: A 22 GLN : amide:sc= -1.52 K(o=-1.9,f=-4.6!) USER MOD Single : A 11 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.0207 X(o=0.021,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.683 K(o=-0.68,f=-1.4) USER MOD Single : A 42 SER OG : rot 39:sc= 0.813 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -62:sc= -0.255 USER MOD Single : A 58 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.6!) USER MOD Single : A 60 GLN : amide:sc= -0.612 K(o=-0.61,f=-2.8) USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= -0.152 (180deg=-0.783) USER MOD Single : A 68 SER OG : rot -69:sc= 0.962 USER MOD Single : A 73 TYR OH : rot -94:sc= -0.0578 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.402 -6.318 4.913 1.00 0.00 N ATOM 145 CA ASP A 10 5.331 -5.598 4.246 1.00 0.00 C ATOM 146 C ASP A 10 5.132 -4.243 4.928 1.00 0.00 C ATOM 147 O ASP A 10 5.889 -3.878 5.825 1.00 0.00 O ATOM 148 CB ASP A 10 4.012 -6.369 4.332 1.00 0.00 C ATOM 149 CG ASP A 10 3.752 -7.336 3.176 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.379 -8.416 3.187 1.00 0.00 O ATOM 151 OD2 ASP A 10 2.930 -6.973 2.307 1.00 0.00 O ATOM 0 HA ASP A 10 5.608 -5.474 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.997 -6.931 5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.192 -5.652 4.378 1.00 0.00 H new ATOM 156 N GLN A 11 4.109 -3.533 4.474 1.00 0.00 N ATOM 157 CA GLN A 11 3.801 -2.226 5.028 1.00 0.00 C ATOM 158 C GLN A 11 2.473 -1.711 4.469 1.00 0.00 C ATOM 159 O GLN A 11 2.254 -1.736 3.259 1.00 0.00 O ATOM 160 CB GLN A 11 4.932 -1.233 4.754 1.00 0.00 C ATOM 161 CG GLN A 11 4.922 -0.093 5.775 1.00 0.00 C ATOM 162 CD GLN A 11 5.910 1.006 5.379 1.00 0.00 C ATOM 163 OE1 GLN A 11 7.082 0.973 5.716 1.00 0.00 O ATOM 164 NE2 GLN A 11 5.372 1.979 4.648 1.00 0.00 N ATOM 0 H GLN A 11 3.483 -3.839 3.729 1.00 0.00 H new ATOM 0 HA GLN A 11 3.704 -2.326 6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.891 -1.750 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.827 -0.826 3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.918 0.325 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.179 -0.481 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.383 1.944 4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.949 2.760 4.334 1.00 0.00 H new ATOM 173 N VAL A 12 1.620 -1.258 5.377 1.00 0.00 N ATOM 174 CA VAL A 12 0.320 -0.738 4.989 1.00 0.00 C ATOM 175 C VAL A 12 0.443 0.755 4.684 1.00 0.00 C ATOM 176 O VAL A 12 1.461 1.375 4.990 1.00 0.00 O ATOM 177 CB VAL A 12 -0.710 -1.043 6.079 1.00 0.00 C ATOM 178 CG1 VAL A 12 -2.104 -1.236 5.477 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.294 -2.265 6.901 1.00 0.00 C ATOM 0 H VAL A 12 1.804 -1.241 6.380 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.032 -1.227 4.080 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.750 -0.186 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.817 -1.452 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.405 -0.327 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.084 -2.067 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.043 -2.460 7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.211 -3.133 6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.669 -2.074 7.374 1.00 0.00 H new ATOM 189 N LEU A 13 -0.608 1.292 4.082 1.00 0.00 N ATOM 190 CA LEU A 13 -0.631 2.701 3.729 1.00 0.00 C ATOM 191 C LEU A 13 -2.082 3.161 3.577 1.00 0.00 C ATOM 192 O LEU A 13 -2.939 2.390 3.148 1.00 0.00 O ATOM 193 CB LEU A 13 0.230 2.959 2.491 1.00 0.00 C ATOM 194 CG LEU A 13 -0.457 2.746 1.141 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.730 4.082 0.448 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.352 1.796 0.257 1.00 0.00 C ATOM 0 H LEU A 13 -1.451 0.776 3.830 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.189 3.300 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.594 3.986 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.104 2.309 2.538 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.423 2.273 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.219 3.902 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.378 4.693 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.212 4.605 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.159 1.662 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.342 2.216 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.450 0.831 0.754 1.00 0.00 H new ATOM 208 N GLU A 14 -2.314 4.415 3.936 1.00 0.00 N ATOM 209 CA GLU A 14 -3.646 4.986 3.844 1.00 0.00 C ATOM 210 C GLU A 14 -3.782 5.811 2.563 1.00 0.00 C ATOM 211 O GLU A 14 -3.005 6.736 2.329 1.00 0.00 O ATOM 212 CB GLU A 14 -3.966 5.833 5.078 1.00 0.00 C ATOM 213 CG GLU A 14 -3.340 5.227 6.335 1.00 0.00 C ATOM 214 CD GLU A 14 -2.168 6.078 6.829 1.00 0.00 C ATOM 215 OE1 GLU A 14 -1.069 5.915 6.257 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.398 6.871 7.767 1.00 0.00 O ATOM 0 H GLU A 14 -1.601 5.052 4.291 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.368 4.170 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.593 6.847 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.046 5.905 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.093 5.149 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.995 4.215 6.122 1.00 0.00 H new ATOM 223 N ILE A 15 -4.777 5.448 1.766 1.00 0.00 N ATOM 224 CA ILE A 15 -5.025 6.143 0.514 1.00 0.00 C ATOM 225 C ILE A 15 -6.384 6.841 0.585 1.00 0.00 C ATOM 226 O ILE A 15 -7.338 6.298 1.139 1.00 0.00 O ATOM 227 CB ILE A 15 -4.887 5.182 -0.668 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.598 4.366 -0.565 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.986 5.932 -1.998 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.766 2.989 -1.211 1.00 0.00 C ATOM 0 H ILE A 15 -5.421 4.682 1.963 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.276 6.919 0.353 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.717 4.477 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.784 4.903 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.321 4.249 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.885 5.226 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.953 6.430 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.191 6.675 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.834 2.430 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.564 2.445 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.019 3.110 -2.264 1.00 0.00 H new ATOM 242 N VAL A 16 -6.430 8.037 0.014 1.00 0.00 N ATOM 243 CA VAL A 16 -7.656 8.816 0.005 1.00 0.00 C ATOM 244 C VAL A 16 -8.017 9.175 -1.437 1.00 0.00 C ATOM 245 O VAL A 16 -7.570 10.196 -1.956 1.00 0.00 O ATOM 246 CB VAL A 16 -7.504 10.043 0.907 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.579 11.085 0.599 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.531 9.645 2.384 1.00 0.00 C ATOM 0 H VAL A 16 -5.637 8.485 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.482 8.232 0.411 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.533 10.493 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.449 11.947 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.491 11.402 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.565 10.650 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.421 10.536 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.480 9.159 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.712 8.956 2.590 1.00 0.00 H new ATOM 258 N PRO A 17 -8.844 8.292 -2.059 1.00 0.00 N ATOM 259 CA PRO A 17 -9.270 8.505 -3.432 1.00 0.00 C ATOM 260 C PRO A 17 -10.328 9.606 -3.513 1.00 0.00 C ATOM 261 O PRO A 17 -10.635 10.251 -2.511 1.00 0.00 O ATOM 262 CB PRO A 17 -9.782 7.153 -3.900 1.00 0.00 C ATOM 263 CG PRO A 17 -10.056 6.352 -2.638 1.00 0.00 C ATOM 264 CD PRO A 17 -9.392 7.072 -1.475 1.00 0.00 C ATOM 0 HA PRO A 17 -8.461 8.853 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.687 7.263 -4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.045 6.652 -4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.129 6.262 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.663 5.340 -2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.110 7.298 -0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.609 6.461 -1.026 1.00 0.00 H new ATOM 272 N SER A 18 -10.858 9.787 -4.714 1.00 0.00 N ATOM 273 CA SER A 18 -11.876 10.799 -4.938 1.00 0.00 C ATOM 274 C SER A 18 -12.414 10.693 -6.367 1.00 0.00 C ATOM 275 O SER A 18 -13.611 10.853 -6.596 1.00 0.00 O ATOM 276 CB SER A 18 -11.324 12.202 -4.681 1.00 0.00 C ATOM 277 OG SER A 18 -12.364 13.161 -4.505 1.00 0.00 O ATOM 0 H SER A 18 -10.601 9.250 -5.542 1.00 0.00 H new ATOM 0 HA SER A 18 -12.691 10.625 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.692 12.186 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.692 12.502 -5.517 1.00 0.00 H new ATOM 0 HG SER A 18 -11.971 14.044 -4.342 1.00 0.00 H new ATOM 283 N ASN A 19 -11.502 10.426 -7.289 1.00 0.00 N ATOM 284 CA ASN A 19 -11.868 10.297 -8.688 1.00 0.00 C ATOM 285 C ASN A 19 -11.921 8.814 -9.064 1.00 0.00 C ATOM 286 O ASN A 19 -11.404 7.967 -8.336 1.00 0.00 O ATOM 287 CB ASN A 19 -10.839 10.976 -9.593 1.00 0.00 C ATOM 288 CG ASN A 19 -10.712 12.464 -9.258 1.00 0.00 C ATOM 289 OD1 ASN A 19 -11.363 12.984 -8.367 1.00 0.00 O ATOM 290 ND2 ASN A 19 -9.838 13.118 -10.019 1.00 0.00 N ATOM 0 H ASN A 19 -10.509 10.295 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.839 10.772 -8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.870 10.490 -9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.133 10.858 -10.636 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.681 14.115 -9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.325 12.622 -10.748 1.00 0.00 H new ATOM 297 N GLU A 20 -12.550 8.545 -10.199 1.00 0.00 N ATOM 298 CA GLU A 20 -12.677 7.180 -10.679 1.00 0.00 C ATOM 299 C GLU A 20 -11.331 6.674 -11.200 1.00 0.00 C ATOM 300 O GLU A 20 -10.972 5.517 -10.983 1.00 0.00 O ATOM 301 CB GLU A 20 -13.756 7.077 -11.758 1.00 0.00 C ATOM 302 CG GLU A 20 -15.124 6.778 -11.139 1.00 0.00 C ATOM 303 CD GLU A 20 -15.763 8.051 -10.582 1.00 0.00 C ATOM 304 OE1 GLU A 20 -15.664 9.087 -11.275 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.338 7.961 -9.476 1.00 0.00 O ATOM 0 H GLU A 20 -12.977 9.250 -10.800 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.982 6.549 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.803 8.010 -12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.494 6.291 -12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.779 6.337 -11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.014 6.043 -10.342 1.00 0.00 H new ATOM 312 N GLU A 21 -10.621 7.565 -11.877 1.00 0.00 N ATOM 313 CA GLU A 21 -9.323 7.222 -12.431 1.00 0.00 C ATOM 314 C GLU A 21 -8.376 6.762 -11.320 1.00 0.00 C ATOM 315 O GLU A 21 -7.622 5.808 -11.498 1.00 0.00 O ATOM 316 CB GLU A 21 -8.727 8.401 -13.204 1.00 0.00 C ATOM 317 CG GLU A 21 -7.214 8.246 -13.361 1.00 0.00 C ATOM 318 CD GLU A 21 -6.711 8.995 -14.597 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.317 8.788 -15.672 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.734 9.758 -14.440 1.00 0.00 O ATOM 0 H GLU A 21 -10.921 8.524 -12.054 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.456 6.399 -13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.193 8.468 -14.187 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.948 9.332 -12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.712 8.626 -12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.960 7.189 -13.443 1.00 0.00 H new ATOM 327 N GLN A 22 -8.448 7.463 -10.198 1.00 0.00 N ATOM 328 CA GLN A 22 -7.607 7.139 -9.058 1.00 0.00 C ATOM 329 C GLN A 22 -8.018 5.791 -8.461 1.00 0.00 C ATOM 330 O GLN A 22 -7.189 5.076 -7.903 1.00 0.00 O ATOM 331 CB GLN A 22 -7.663 8.245 -8.004 1.00 0.00 C ATOM 332 CG GLN A 22 -6.706 9.387 -8.355 1.00 0.00 C ATOM 333 CD GLN A 22 -7.441 10.727 -8.390 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.802 11.239 -9.438 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.644 11.265 -7.191 1.00 0.00 N ATOM 0 H GLN A 22 -9.076 8.254 -10.054 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.576 7.062 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.680 8.629 -7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.403 7.835 -7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.900 9.429 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.246 9.195 -9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.316 10.784 -6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.128 12.159 -7.109 1.00 0.00 H new ATOM 344 N ILE A 23 -9.301 5.486 -8.599 1.00 0.00 N ATOM 345 CA ILE A 23 -9.832 4.237 -8.081 1.00 0.00 C ATOM 346 C ILE A 23 -9.453 3.095 -9.026 1.00 0.00 C ATOM 347 O ILE A 23 -9.198 1.976 -8.582 1.00 0.00 O ATOM 348 CB ILE A 23 -11.337 4.356 -7.835 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.622 4.996 -6.475 1.00 0.00 C ATOM 350 CG2 ILE A 23 -12.028 2.999 -7.986 1.00 0.00 C ATOM 351 CD1 ILE A 23 -13.118 4.966 -6.156 1.00 0.00 C ATOM 0 H ILE A 23 -9.987 6.082 -9.062 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.390 4.009 -7.111 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.755 5.016 -8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.070 4.467 -5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.267 6.027 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.097 3.113 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.869 2.620 -8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.611 2.296 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.292 5.427 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.664 5.516 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.465 3.933 -6.135 1.00 0.00 H new ATOM 363 N LYS A 24 -9.428 3.415 -10.311 1.00 0.00 N ATOM 364 CA LYS A 24 -9.083 2.430 -11.321 1.00 0.00 C ATOM 365 C LYS A 24 -7.577 2.167 -11.279 1.00 0.00 C ATOM 366 O LYS A 24 -7.103 1.162 -11.806 1.00 0.00 O ATOM 367 CB LYS A 24 -9.591 2.872 -12.695 1.00 0.00 C ATOM 368 CG LYS A 24 -8.744 2.264 -13.815 1.00 0.00 C ATOM 369 CD LYS A 24 -9.499 2.285 -15.146 1.00 0.00 C ATOM 370 CE LYS A 24 -8.598 1.823 -16.294 1.00 0.00 C ATOM 371 NZ LYS A 24 -9.283 0.794 -17.108 1.00 0.00 N ATOM 0 H LYS A 24 -9.641 4.343 -10.676 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.578 1.482 -11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.631 2.570 -12.816 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.565 3.960 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.811 2.819 -13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.479 1.238 -13.559 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.374 1.638 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.862 3.293 -15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.333 2.674 -16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.668 1.419 -15.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.658 0.491 -17.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.514 -0.025 -16.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.158 1.191 -17.505 1.00 0.00 H new ATOM 385 N ASN A 25 -6.864 3.088 -10.646 1.00 0.00 N ATOM 386 CA ASN A 25 -5.422 2.969 -10.528 1.00 0.00 C ATOM 387 C ASN A 25 -5.086 1.792 -9.611 1.00 0.00 C ATOM 388 O ASN A 25 -4.418 0.847 -10.027 1.00 0.00 O ATOM 389 CB ASN A 25 -4.813 4.232 -9.918 1.00 0.00 C ATOM 390 CG ASN A 25 -3.362 3.993 -9.493 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.237 3.301 -8.364 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -2.420 4.407 -10.146 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.260 3.920 -10.209 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.013 2.818 -11.527 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.854 5.046 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.402 4.543 -9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.586 4.932 -11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.465 4.228 -9.834 1.00 0.00 H new ATOM 399 N LEU A 26 -5.563 1.888 -8.379 1.00 0.00 N ATOM 400 CA LEU A 26 -5.322 0.842 -7.398 1.00 0.00 C ATOM 401 C LEU A 26 -5.661 -0.516 -8.015 1.00 0.00 C ATOM 402 O LEU A 26 -4.796 -1.384 -8.129 1.00 0.00 O ATOM 403 CB LEU A 26 -6.080 1.136 -6.103 1.00 0.00 C ATOM 404 CG LEU A 26 -5.423 0.639 -4.814 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.229 1.517 -4.434 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.446 0.542 -3.680 1.00 0.00 C ATOM 0 H LEU A 26 -6.116 2.674 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.268 0.814 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.220 2.214 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.072 0.691 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.041 -0.366 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.780 1.142 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.490 1.493 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.565 2.543 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.953 0.186 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.879 1.525 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.236 -0.155 -3.961 1.00 0.00 H new ATOM 418 N LEU A 27 -6.922 -0.659 -8.395 1.00 0.00 N ATOM 419 CA LEU A 27 -7.387 -1.898 -8.997 1.00 0.00 C ATOM 420 C LEU A 27 -6.342 -2.397 -9.996 1.00 0.00 C ATOM 421 O LEU A 27 -5.924 -3.553 -9.938 1.00 0.00 O ATOM 422 CB LEU A 27 -8.778 -1.709 -9.605 1.00 0.00 C ATOM 423 CG LEU A 27 -9.960 -1.995 -8.675 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.283 -1.958 -9.444 1.00 0.00 C ATOM 425 CD2 LEU A 27 -9.766 -3.318 -7.931 1.00 0.00 C ATOM 0 H LEU A 27 -7.637 0.062 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.499 -2.672 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.861 -0.682 -9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.863 -2.357 -10.478 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.002 -1.207 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.107 -2.164 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.418 -0.972 -9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.267 -2.712 -10.231 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.620 -3.497 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.684 -4.132 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.856 -3.269 -7.333 1.00 0.00 H new ATOM 437 N GLN A 28 -5.950 -1.503 -10.891 1.00 0.00 N ATOM 438 CA GLN A 28 -4.961 -1.838 -11.902 1.00 0.00 C ATOM 439 C GLN A 28 -3.686 -2.366 -11.242 1.00 0.00 C ATOM 440 O GLN A 28 -3.062 -3.299 -11.747 1.00 0.00 O ATOM 441 CB GLN A 28 -4.659 -0.633 -12.794 1.00 0.00 C ATOM 442 CG GLN A 28 -4.304 -1.077 -14.215 1.00 0.00 C ATOM 443 CD GLN A 28 -2.895 -0.621 -14.598 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.698 0.394 -15.246 1.00 0.00 O ATOM 445 NE2 GLN A 28 -1.929 -1.424 -14.161 1.00 0.00 N ATOM 0 H GLN A 28 -6.299 -0.546 -10.938 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.370 -2.624 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.524 0.029 -12.822 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.833 -0.061 -12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.371 -2.163 -14.288 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.027 -0.665 -14.919 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.164 -2.258 -13.623 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.953 -1.205 -14.363 1.00 0.00 H new ATOM 454 N LEU A 29 -3.336 -1.747 -10.125 1.00 0.00 N ATOM 455 CA LEU A 29 -2.146 -2.144 -9.391 1.00 0.00 C ATOM 456 C LEU A 29 -2.341 -3.555 -8.835 1.00 0.00 C ATOM 457 O LEU A 29 -1.603 -4.473 -9.187 1.00 0.00 O ATOM 458 CB LEU A 29 -1.804 -1.104 -8.323 1.00 0.00 C ATOM 459 CG LEU A 29 -0.844 -1.562 -7.222 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.590 -1.654 -7.749 1.00 0.00 C ATOM 461 CD2 LEU A 29 -0.946 -0.657 -5.993 1.00 0.00 C ATOM 0 H LEU A 29 -3.855 -0.973 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.283 -2.180 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.370 -0.234 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.732 -0.775 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.137 -2.564 -6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.252 -1.981 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.631 -2.371 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.910 -0.675 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.254 -1.005 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.694 0.366 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.963 -0.686 -5.603 1.00 0.00 H new ATOM 473 N GLU A 30 -3.340 -3.684 -7.974 1.00 0.00 N ATOM 474 CA GLU A 30 -3.642 -4.969 -7.365 1.00 0.00 C ATOM 475 C GLU A 30 -3.925 -6.015 -8.446 1.00 0.00 C ATOM 476 O GLU A 30 -3.778 -7.213 -8.208 1.00 0.00 O ATOM 477 CB GLU A 30 -4.819 -4.852 -6.394 1.00 0.00 C ATOM 478 CG GLU A 30 -4.694 -5.869 -5.258 1.00 0.00 C ATOM 479 CD GLU A 30 -5.768 -6.953 -5.372 1.00 0.00 C ATOM 480 OE1 GLU A 30 -5.805 -7.606 -6.437 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.529 -7.104 -4.392 1.00 0.00 O ATOM 0 H GLU A 30 -3.951 -2.920 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.772 -5.292 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.857 -3.844 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.755 -5.013 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.705 -6.327 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.786 -5.361 -4.298 1.00 0.00 H new ATOM 488 N ALA A 31 -4.326 -5.524 -9.609 1.00 0.00 N ATOM 489 CA ALA A 31 -4.630 -6.401 -10.727 1.00 0.00 C ATOM 490 C ALA A 31 -3.348 -7.098 -11.186 1.00 0.00 C ATOM 491 O ALA A 31 -3.352 -8.298 -11.458 1.00 0.00 O ATOM 492 CB ALA A 31 -5.288 -5.592 -11.846 1.00 0.00 C ATOM 0 H ALA A 31 -4.448 -4.530 -9.802 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.336 -7.175 -10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.516 -6.250 -12.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.210 -5.142 -11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.608 -4.807 -12.175 1.00 0.00 H new ATOM 498 N GLN A 32 -2.281 -6.316 -11.259 1.00 0.00 N ATOM 499 CA GLN A 32 -0.994 -6.843 -11.682 1.00 0.00 C ATOM 500 C GLN A 32 -0.669 -8.127 -10.916 1.00 0.00 C ATOM 501 O GLN A 32 -0.125 -8.075 -9.814 1.00 0.00 O ATOM 502 CB GLN A 32 0.112 -5.802 -11.500 1.00 0.00 C ATOM 503 CG GLN A 32 0.274 -4.949 -12.760 1.00 0.00 C ATOM 504 CD GLN A 32 0.813 -5.786 -13.922 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.078 -6.432 -14.650 1.00 0.00 O ATOM 506 NE2 GLN A 32 2.136 -5.738 -14.054 1.00 0.00 N ATOM 0 H GLN A 32 -2.281 -5.321 -11.032 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.052 -7.081 -12.744 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.123 -5.161 -10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.053 -6.302 -11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.687 -4.514 -13.035 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.953 -4.120 -12.558 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.693 -5.177 -13.410 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.593 -6.262 -14.800 1.00 0.00 H new ATOM 584 N LEU A 37 -1.959 -7.551 -3.680 1.00 0.00 N ATOM 585 CA LEU A 37 -2.217 -6.784 -2.473 1.00 0.00 C ATOM 586 C LEU A 37 -3.686 -6.944 -2.076 1.00 0.00 C ATOM 587 O LEU A 37 -4.537 -7.203 -2.926 1.00 0.00 O ATOM 588 CB LEU A 37 -1.785 -5.329 -2.660 1.00 0.00 C ATOM 589 CG LEU A 37 -0.623 -5.093 -3.627 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.095 -4.358 -4.883 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.528 -4.360 -2.932 1.00 0.00 C ATOM 0 HA LEU A 37 -1.620 -7.165 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.645 -4.758 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.509 -4.925 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.242 -6.063 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.250 -4.203 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.855 -4.953 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.517 -3.393 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.341 -4.205 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.177 -3.395 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.887 -4.958 -2.094 1.00 0.00 H new ATOM 603 N ASP A 38 -3.937 -6.785 -0.784 1.00 0.00 N ATOM 604 CA ASP A 38 -5.289 -6.908 -0.266 1.00 0.00 C ATOM 605 C ASP A 38 -5.754 -5.550 0.262 1.00 0.00 C ATOM 606 O ASP A 38 -5.032 -4.889 1.007 1.00 0.00 O ATOM 607 CB ASP A 38 -5.345 -7.909 0.890 1.00 0.00 C ATOM 608 CG ASP A 38 -5.632 -9.355 0.481 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.716 -9.577 -0.101 1.00 0.00 O ATOM 610 OD2 ASP A 38 -4.760 -10.207 0.759 1.00 0.00 O ATOM 0 H ASP A 38 -3.228 -6.572 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.931 -7.255 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.394 -7.880 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.114 -7.587 1.593 1.00 0.00 H new ATOM 615 N PHE A 39 -6.957 -5.173 -0.146 1.00 0.00 N ATOM 616 CA PHE A 39 -7.527 -3.905 0.277 1.00 0.00 C ATOM 617 C PHE A 39 -8.371 -4.077 1.542 1.00 0.00 C ATOM 618 O PHE A 39 -9.260 -4.924 1.588 1.00 0.00 O ATOM 619 CB PHE A 39 -8.428 -3.419 -0.860 1.00 0.00 C ATOM 620 CG PHE A 39 -7.675 -3.067 -2.145 1.00 0.00 C ATOM 621 CD1 PHE A 39 -6.483 -2.415 -2.077 1.00 0.00 C ATOM 622 CD2 PHE A 39 -8.196 -3.407 -3.354 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.784 -2.089 -3.269 1.00 0.00 C ATOM 624 CE2 PHE A 39 -7.497 -3.080 -4.545 1.00 0.00 C ATOM 625 CZ PHE A 39 -6.305 -2.428 -4.478 1.00 0.00 C ATOM 0 H PHE A 39 -7.553 -5.723 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.730 -3.195 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.164 -4.192 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.980 -2.542 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.069 -2.145 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.142 -3.926 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.838 -1.571 -3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.912 -3.349 -5.505 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.773 -2.180 -5.385 1.00 0.00 H new ATOM 635 N TRP A 40 -8.060 -3.259 2.537 1.00 0.00 N ATOM 636 CA TRP A 40 -8.778 -3.311 3.799 1.00 0.00 C ATOM 637 C TRP A 40 -10.169 -2.713 3.577 1.00 0.00 C ATOM 638 O TRP A 40 -11.175 -3.405 3.721 1.00 0.00 O ATOM 639 CB TRP A 40 -7.993 -2.603 4.905 1.00 0.00 C ATOM 640 CG TRP A 40 -6.889 -3.458 5.531 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.446 -4.657 5.128 1.00 0.00 C ATOM 642 CD2 TRP A 40 -6.103 -3.129 6.696 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.436 -5.123 5.944 1.00 0.00 N ATOM 644 CE2 TRP A 40 -5.220 -4.165 6.927 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.136 -1.996 7.525 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.305 -4.169 7.987 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.215 -2.015 8.581 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.320 -3.050 8.827 1.00 0.00 C ATOM 0 H TRP A 40 -7.321 -2.557 2.495 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.892 -4.341 4.136 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.548 -1.696 4.497 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.686 -2.294 5.687 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.831 -5.191 4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.939 -6.008 5.844 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.818 -1.174 7.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.624 -4.992 8.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.199 -1.167 9.250 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.639 -2.991 9.663 1.00 0.00 H new ATOM 659 N LYS A 41 -10.180 -1.434 3.229 1.00 0.00 N ATOM 660 CA LYS A 41 -11.430 -0.736 2.985 1.00 0.00 C ATOM 661 C LYS A 41 -11.685 -0.666 1.478 1.00 0.00 C ATOM 662 O LYS A 41 -11.017 0.083 0.766 1.00 0.00 O ATOM 663 CB LYS A 41 -11.422 0.631 3.672 1.00 0.00 C ATOM 664 CG LYS A 41 -11.980 0.534 5.094 1.00 0.00 C ATOM 665 CD LYS A 41 -11.865 1.875 5.821 1.00 0.00 C ATOM 666 CE LYS A 41 -13.219 2.584 5.881 1.00 0.00 C ATOM 667 NZ LYS A 41 -13.097 3.977 5.394 1.00 0.00 N ATOM 0 H LYS A 41 -9.343 -0.864 3.110 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.264 -1.283 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.404 1.021 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.016 1.337 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.024 0.224 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.439 -0.232 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.490 1.714 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.141 2.509 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.946 2.043 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.592 2.582 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.025 4.444 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.418 4.494 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.762 3.972 4.410 1.00 0.00 H new ATOM 681 N SER A 42 -12.652 -1.456 1.037 1.00 0.00 N ATOM 682 CA SER A 42 -13.003 -1.494 -0.373 1.00 0.00 C ATOM 683 C SER A 42 -12.939 -0.085 -0.966 1.00 0.00 C ATOM 684 O SER A 42 -13.873 0.701 -0.809 1.00 0.00 O ATOM 685 CB SER A 42 -14.395 -2.094 -0.578 1.00 0.00 C ATOM 686 OG SER A 42 -15.406 -1.336 0.082 1.00 0.00 O ATOM 0 H SER A 42 -13.204 -2.075 1.631 1.00 0.00 H new ATOM 0 HA SER A 42 -12.284 -2.131 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.616 -2.142 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.407 -3.118 -0.204 1.00 0.00 H new ATOM 0 HG SER A 42 -15.209 -0.380 -0.007 1.00 0.00 H new ATOM 692 N PRO A 43 -11.800 0.200 -1.652 1.00 0.00 N ATOM 693 CA PRO A 43 -11.603 1.501 -2.269 1.00 0.00 C ATOM 694 C PRO A 43 -12.443 1.638 -3.539 1.00 0.00 C ATOM 695 O PRO A 43 -12.367 2.653 -4.231 1.00 0.00 O ATOM 696 CB PRO A 43 -10.108 1.588 -2.532 1.00 0.00 C ATOM 697 CG PRO A 43 -9.591 0.160 -2.483 1.00 0.00 C ATOM 698 CD PRO A 43 -10.674 -0.706 -1.857 1.00 0.00 C ATOM 0 HA PRO A 43 -11.931 2.323 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.908 2.042 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.615 2.207 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.351 -0.194 -3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.673 0.106 -1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.946 -1.534 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.339 -1.140 -0.915 1.00 0.00 H new ATOM 706 N THR A 44 -13.225 0.603 -3.808 1.00 0.00 N ATOM 707 CA THR A 44 -14.079 0.596 -4.984 1.00 0.00 C ATOM 708 C THR A 44 -14.626 1.999 -5.254 1.00 0.00 C ATOM 709 O THR A 44 -14.634 2.456 -6.395 1.00 0.00 O ATOM 710 CB THR A 44 -15.173 -0.452 -4.766 1.00 0.00 C ATOM 711 OG1 THR A 44 -14.618 -1.650 -5.303 1.00 0.00 O ATOM 712 CG2 THR A 44 -16.410 -0.194 -5.630 1.00 0.00 C ATOM 0 H THR A 44 -13.285 -0.237 -3.232 1.00 0.00 H new ATOM 0 HA THR A 44 -13.520 0.322 -5.879 1.00 0.00 H new ATOM 0 HB THR A 44 -15.460 -0.464 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.261 -2.383 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.156 -0.965 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.827 0.783 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.129 -0.216 -6.683 1.00 0.00 H new ATOM 720 N THR A 45 -15.071 2.642 -4.185 1.00 0.00 N ATOM 721 CA THR A 45 -15.618 3.984 -4.292 1.00 0.00 C ATOM 722 C THR A 45 -14.787 4.967 -3.466 1.00 0.00 C ATOM 723 O THR A 45 -14.106 4.569 -2.522 1.00 0.00 O ATOM 724 CB THR A 45 -17.089 3.929 -3.873 1.00 0.00 C ATOM 725 OG1 THR A 45 -17.041 3.719 -2.465 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.805 2.689 -4.411 1.00 0.00 C ATOM 0 H THR A 45 -15.064 2.259 -3.240 1.00 0.00 H new ATOM 0 HA THR A 45 -15.570 4.350 -5.318 1.00 0.00 H new ATOM 0 HB THR A 45 -17.601 4.825 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.601 2.864 -2.277 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.845 2.699 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.766 2.690 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.315 1.792 -4.032 1.00 0.00 H new ATOM 734 N PRO A 46 -14.873 6.265 -3.860 1.00 0.00 N ATOM 735 CA PRO A 46 -14.137 7.309 -3.166 1.00 0.00 C ATOM 736 C PRO A 46 -14.789 7.638 -1.822 1.00 0.00 C ATOM 737 O PRO A 46 -15.897 7.186 -1.538 1.00 0.00 O ATOM 738 CB PRO A 46 -14.127 8.487 -4.126 1.00 0.00 C ATOM 739 CG PRO A 46 -15.246 8.226 -5.120 1.00 0.00 C ATOM 740 CD PRO A 46 -15.669 6.773 -4.973 1.00 0.00 C ATOM 0 HA PRO A 46 -13.120 7.010 -2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.288 9.425 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.166 8.569 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.089 8.890 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.908 8.424 -6.137 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.736 6.690 -4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.477 6.210 -5.887 1.00 0.00 H new ATOM 748 N GLY A 47 -14.073 8.423 -1.030 1.00 0.00 N ATOM 749 CA GLY A 47 -14.568 8.818 0.277 1.00 0.00 C ATOM 750 C GLY A 47 -14.153 7.808 1.349 1.00 0.00 C ATOM 751 O GLY A 47 -14.073 8.148 2.528 1.00 0.00 O ATOM 0 H GLY A 47 -13.154 8.796 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.182 9.805 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.655 8.898 0.249 1.00 0.00 H new ATOM 755 N GLU A 48 -13.900 6.588 0.900 1.00 0.00 N ATOM 756 CA GLU A 48 -13.494 5.527 1.806 1.00 0.00 C ATOM 757 C GLU A 48 -12.002 5.233 1.646 1.00 0.00 C ATOM 758 O GLU A 48 -11.582 4.666 0.638 1.00 0.00 O ATOM 759 CB GLU A 48 -14.329 4.265 1.580 1.00 0.00 C ATOM 760 CG GLU A 48 -13.983 3.610 0.241 1.00 0.00 C ATOM 761 CD GLU A 48 -15.233 3.032 -0.426 1.00 0.00 C ATOM 762 OE1 GLU A 48 -16.287 3.034 0.246 1.00 0.00 O ATOM 763 OE2 GLU A 48 -15.106 2.601 -1.592 1.00 0.00 O ATOM 0 H GLU A 48 -13.968 6.310 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.670 5.862 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.153 3.558 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.389 4.517 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.521 4.345 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.251 2.818 0.398 1.00 0.00 H new ATOM 770 N THR A 49 -11.241 5.632 2.654 1.00 0.00 N ATOM 771 CA THR A 49 -9.804 5.419 2.637 1.00 0.00 C ATOM 772 C THR A 49 -9.487 3.928 2.500 1.00 0.00 C ATOM 773 O THR A 49 -10.250 3.083 2.964 1.00 0.00 O ATOM 774 CB THR A 49 -9.217 6.051 3.901 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.738 5.254 4.961 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.779 7.448 4.172 1.00 0.00 C ATOM 0 H THR A 49 -11.593 6.102 3.488 1.00 0.00 H new ATOM 0 HA THR A 49 -9.344 5.898 1.773 1.00 0.00 H new ATOM 0 HB THR A 49 -8.132 6.109 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.998 4.846 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.330 7.851 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.548 8.102 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.860 7.387 4.298 1.00 0.00 H new ATOM 784 N ALA A 50 -8.361 3.652 1.860 1.00 0.00 N ATOM 785 CA ALA A 50 -7.934 2.278 1.656 1.00 0.00 C ATOM 786 C ALA A 50 -6.682 2.007 2.493 1.00 0.00 C ATOM 787 O ALA A 50 -5.883 2.911 2.731 1.00 0.00 O ATOM 788 CB ALA A 50 -7.702 2.031 0.163 1.00 0.00 C ATOM 0 H ALA A 50 -7.731 4.356 1.476 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.707 1.584 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.382 1.000 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.628 2.208 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.930 2.709 -0.202 1.00 0.00 H new ATOM 794 N HIS A 51 -6.551 0.759 2.916 1.00 0.00 N ATOM 795 CA HIS A 51 -5.410 0.358 3.722 1.00 0.00 C ATOM 796 C HIS A 51 -4.979 -1.058 3.332 1.00 0.00 C ATOM 797 O HIS A 51 -5.471 -2.036 3.893 1.00 0.00 O ATOM 798 CB HIS A 51 -5.724 0.493 5.213 1.00 0.00 C ATOM 799 CG HIS A 51 -6.731 1.572 5.535 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.937 1.310 6.160 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.697 2.917 5.310 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.592 2.453 6.300 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.822 3.447 5.772 1.00 0.00 N ATOM 0 H HIS A 51 -7.216 0.012 2.716 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.569 1.023 3.526 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.099 -0.461 5.582 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.799 0.702 5.751 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.266 0.393 6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.891 3.458 4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.565 2.576 6.753 1.00 0.00 H new ATOM 812 N VAL A 52 -4.064 -1.121 2.376 1.00 0.00 N ATOM 813 CA VAL A 52 -3.562 -2.400 1.905 1.00 0.00 C ATOM 814 C VAL A 52 -2.112 -2.573 2.363 1.00 0.00 C ATOM 815 O VAL A 52 -1.359 -1.603 2.433 1.00 0.00 O ATOM 816 CB VAL A 52 -3.724 -2.500 0.387 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.592 -1.125 -0.270 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.722 -3.490 -0.208 1.00 0.00 C ATOM 0 H VAL A 52 -3.657 -0.307 1.915 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.140 -3.218 2.335 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.727 -2.875 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.711 -1.224 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.362 -0.460 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.608 -0.710 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.859 -3.542 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.708 -3.158 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.884 -4.477 0.226 1.00 0.00 H new ATOM 828 N ARG A 53 -1.765 -3.816 2.665 1.00 0.00 N ATOM 829 CA ARG A 53 -0.418 -4.129 3.114 1.00 0.00 C ATOM 830 C ARG A 53 0.519 -4.285 1.915 1.00 0.00 C ATOM 831 O ARG A 53 0.705 -5.391 1.410 1.00 0.00 O ATOM 832 CB ARG A 53 -0.399 -5.416 3.940 1.00 0.00 C ATOM 833 CG ARG A 53 -1.419 -5.353 5.079 1.00 0.00 C ATOM 834 CD ARG A 53 -1.305 -6.581 5.985 1.00 0.00 C ATOM 835 NE ARG A 53 -2.043 -7.718 5.391 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.818 -9.002 5.698 1.00 0.00 C ATOM 837 NH1 ARG A 53 -0.875 -9.322 6.595 1.00 0.00 N ATOM 838 NH2 ARG A 53 -2.537 -9.968 5.108 1.00 0.00 N ATOM 0 H ARG A 53 -2.393 -4.618 2.608 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.077 -3.304 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.619 -6.268 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.599 -5.575 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.260 -4.448 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.426 -5.293 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.257 -6.848 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.705 -6.353 6.973 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.769 -7.511 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.328 -8.587 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.704 -10.300 6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.255 -9.725 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.366 -10.946 5.342 1.00 0.00 H new ATOM 852 N VAL A 54 1.083 -3.162 1.495 1.00 0.00 N ATOM 853 CA VAL A 54 1.997 -3.161 0.366 1.00 0.00 C ATOM 854 C VAL A 54 3.387 -3.588 0.839 1.00 0.00 C ATOM 855 O VAL A 54 3.821 -3.207 1.925 1.00 0.00 O ATOM 856 CB VAL A 54 1.990 -1.789 -0.312 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.729 -0.754 0.539 1.00 0.00 C ATOM 858 CG2 VAL A 54 2.585 -1.869 -1.718 1.00 0.00 C ATOM 0 H VAL A 54 0.925 -2.247 1.916 1.00 0.00 H new ATOM 0 HA VAL A 54 1.675 -3.881 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 54 0.953 -1.467 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.710 0.212 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.242 -0.667 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.763 -1.069 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.568 -0.881 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.614 -2.223 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.998 -2.560 -2.323 1.00 0.00 H new ATOM 868 N PRO A 55 4.066 -4.392 -0.022 1.00 0.00 N ATOM 869 CA PRO A 55 5.400 -4.873 0.298 1.00 0.00 C ATOM 870 C PRO A 55 6.438 -3.762 0.133 1.00 0.00 C ATOM 871 O PRO A 55 6.413 -3.025 -0.852 1.00 0.00 O ATOM 872 CB PRO A 55 5.630 -6.045 -0.642 1.00 0.00 C ATOM 873 CG PRO A 55 4.615 -5.887 -1.763 1.00 0.00 C ATOM 874 CD PRO A 55 3.586 -4.863 -1.317 1.00 0.00 C ATOM 0 HA PRO A 55 5.496 -5.187 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.647 -6.038 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.494 -6.994 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.106 -5.561 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.135 -6.841 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.508 -4.044 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.595 -5.309 -1.233 1.00 0.00 H new ATOM 882 N PHE A 56 7.328 -3.677 1.112 1.00 0.00 N ATOM 883 CA PHE A 56 8.373 -2.668 1.087 1.00 0.00 C ATOM 884 C PHE A 56 9.095 -2.658 -0.261 1.00 0.00 C ATOM 885 O PHE A 56 9.442 -1.597 -0.776 1.00 0.00 O ATOM 886 CB PHE A 56 9.374 -3.034 2.185 1.00 0.00 C ATOM 887 CG PHE A 56 10.195 -1.849 2.698 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.593 -0.863 3.414 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.528 -1.785 2.439 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.355 0.236 3.891 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.292 -0.685 2.915 1.00 0.00 C ATOM 892 CZ PHE A 56 11.688 0.301 3.631 1.00 0.00 C ATOM 0 H PHE A 56 7.346 -4.290 1.927 1.00 0.00 H new ATOM 0 HA PHE A 56 7.939 -1.680 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.834 -3.478 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.054 -3.796 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.534 -0.915 3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.006 -2.570 1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.876 1.019 4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.351 -0.632 2.708 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.268 1.137 3.994 1.00 0.00 H new ATOM 902 N VAL A 57 9.299 -3.854 -0.796 1.00 0.00 N ATOM 903 CA VAL A 57 9.973 -3.997 -2.075 1.00 0.00 C ATOM 904 C VAL A 57 9.100 -3.392 -3.177 1.00 0.00 C ATOM 905 O VAL A 57 9.595 -3.059 -4.252 1.00 0.00 O ATOM 906 CB VAL A 57 10.318 -5.466 -2.323 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.130 -6.371 -1.993 1.00 0.00 C ATOM 908 CG2 VAL A 57 10.789 -5.683 -3.763 1.00 0.00 C ATOM 0 H VAL A 57 9.009 -4.732 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 57 10.917 -3.452 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 57 11.139 -5.734 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.402 -7.410 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.859 -6.248 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.281 -6.101 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.028 -6.736 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.998 -5.389 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.677 -5.079 -3.950 1.00 0.00 H new ATOM 918 N ASN A 58 7.817 -3.271 -2.871 1.00 0.00 N ATOM 919 CA ASN A 58 6.871 -2.713 -3.822 1.00 0.00 C ATOM 920 C ASN A 58 6.284 -1.420 -3.253 1.00 0.00 C ATOM 921 O ASN A 58 5.315 -0.885 -3.788 1.00 0.00 O ATOM 922 CB ASN A 58 5.714 -3.681 -4.081 1.00 0.00 C ATOM 923 CG ASN A 58 4.973 -3.318 -5.369 1.00 0.00 C ATOM 924 OD1 ASN A 58 3.851 -2.837 -5.355 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.659 -3.574 -6.479 1.00 0.00 N ATOM 0 H ASN A 58 7.410 -3.550 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 58 7.403 -2.527 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.096 -4.699 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.021 -3.658 -3.240 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.250 -3.367 -7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.594 -3.977 -6.419 1.00 0.00 H new ATOM 932 N VAL A 59 6.898 -0.953 -2.175 1.00 0.00 N ATOM 933 CA VAL A 59 6.450 0.268 -1.527 1.00 0.00 C ATOM 934 C VAL A 59 6.905 1.474 -2.351 1.00 0.00 C ATOM 935 O VAL A 59 6.210 2.486 -2.413 1.00 0.00 O ATOM 936 CB VAL A 59 6.950 0.307 -0.082 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.198 1.747 0.373 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.974 -0.403 0.856 1.00 0.00 C ATOM 0 H VAL A 59 7.703 -1.399 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 59 5.361 0.299 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 59 7.900 -0.226 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.553 1.747 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.949 2.207 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.269 2.314 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.354 -0.360 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.002 0.088 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.869 -1.444 0.551 1.00 0.00 H new ATOM 948 N GLN A 60 8.072 1.325 -2.964 1.00 0.00 N ATOM 949 CA GLN A 60 8.627 2.390 -3.781 1.00 0.00 C ATOM 950 C GLN A 60 7.839 2.526 -5.085 1.00 0.00 C ATOM 951 O GLN A 60 7.220 3.559 -5.334 1.00 0.00 O ATOM 952 CB GLN A 60 10.113 2.147 -4.061 1.00 0.00 C ATOM 953 CG GLN A 60 10.862 3.470 -4.229 1.00 0.00 C ATOM 954 CD GLN A 60 10.947 4.225 -2.902 1.00 0.00 C ATOM 955 OE1 GLN A 60 10.406 3.813 -1.889 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.654 5.350 -2.962 1.00 0.00 N ATOM 0 H GLN A 60 8.647 0.484 -2.911 1.00 0.00 H new ATOM 0 HA GLN A 60 8.542 3.326 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.553 1.577 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.223 1.545 -4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.866 3.278 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.355 4.087 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.081 5.638 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.769 5.925 -2.127 1.00 0.00 H new ATOM 965 N ALA A 61 7.888 1.468 -5.881 1.00 0.00 N ATOM 966 CA ALA A 61 7.185 1.457 -7.153 1.00 0.00 C ATOM 967 C ALA A 61 5.749 1.941 -6.942 1.00 0.00 C ATOM 968 O ALA A 61 5.159 2.552 -7.832 1.00 0.00 O ATOM 969 CB ALA A 61 7.244 0.052 -7.756 1.00 0.00 C ATOM 0 H ALA A 61 8.403 0.613 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 61 7.661 2.136 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.717 0.043 -8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.284 -0.233 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.773 -0.656 -7.075 1.00 0.00 H new ATOM 975 N VAL A 62 5.228 1.649 -5.759 1.00 0.00 N ATOM 976 CA VAL A 62 3.872 2.048 -5.421 1.00 0.00 C ATOM 977 C VAL A 62 3.856 3.536 -5.068 1.00 0.00 C ATOM 978 O VAL A 62 2.970 4.271 -5.503 1.00 0.00 O ATOM 979 CB VAL A 62 3.332 1.161 -4.296 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.217 1.871 -3.525 1.00 0.00 C ATOM 981 CG2 VAL A 62 2.850 -0.184 -4.842 1.00 0.00 C ATOM 0 H VAL A 62 5.720 1.141 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 62 3.208 1.909 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 62 4.149 0.967 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.851 1.219 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.605 2.791 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.399 2.109 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.471 -0.795 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.054 -0.018 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.680 -0.699 -5.325 1.00 0.00 H new ATOM 991 N LYS A 63 4.845 3.937 -4.283 1.00 0.00 N ATOM 992 CA LYS A 63 4.955 5.324 -3.867 1.00 0.00 C ATOM 993 C LYS A 63 5.064 6.216 -5.106 1.00 0.00 C ATOM 994 O LYS A 63 4.590 7.351 -5.101 1.00 0.00 O ATOM 995 CB LYS A 63 6.112 5.498 -2.880 1.00 0.00 C ATOM 996 CG LYS A 63 5.646 5.255 -1.443 1.00 0.00 C ATOM 997 CD LYS A 63 6.079 6.401 -0.525 1.00 0.00 C ATOM 998 CE LYS A 63 5.469 6.246 0.869 1.00 0.00 C ATOM 999 NZ LYS A 63 6.475 6.552 1.912 1.00 0.00 N ATOM 0 H LYS A 63 5.578 3.325 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 63 4.059 5.633 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.915 4.804 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.522 6.504 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.561 5.156 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.059 4.315 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.166 6.421 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.772 7.354 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.613 6.913 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.099 5.229 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.409 5.848 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.427 6.522 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.296 7.500 2.299 1.00 0.00 H new ATOM 1013 N VAL A 64 5.693 5.669 -6.136 1.00 0.00 N ATOM 1014 CA VAL A 64 5.872 6.402 -7.378 1.00 0.00 C ATOM 1015 C VAL A 64 4.555 6.400 -8.159 1.00 0.00 C ATOM 1016 O VAL A 64 4.226 7.378 -8.828 1.00 0.00 O ATOM 1017 CB VAL A 64 7.038 5.808 -8.172 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.978 6.241 -9.638 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.379 6.190 -7.542 1.00 0.00 C ATOM 0 H VAL A 64 6.085 4.727 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 64 6.130 7.442 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 64 6.949 4.722 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.817 5.806 -10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.043 5.898 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.031 7.328 -9.699 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.192 5.756 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.480 7.275 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.422 5.811 -6.521 1.00 0.00 H new ATOM 1029 N PHE A 65 3.839 5.292 -8.046 1.00 0.00 N ATOM 1030 CA PHE A 65 2.566 5.150 -8.732 1.00 0.00 C ATOM 1031 C PHE A 65 1.549 6.171 -8.217 1.00 0.00 C ATOM 1032 O PHE A 65 1.003 6.954 -8.993 1.00 0.00 O ATOM 1033 CB PHE A 65 2.051 3.741 -8.435 1.00 0.00 C ATOM 1034 CG PHE A 65 0.930 3.278 -9.368 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.988 3.566 -10.695 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.124 2.578 -8.869 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.052 3.136 -11.561 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.165 2.149 -9.735 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.106 2.437 -11.063 1.00 0.00 C ATOM 0 H PHE A 65 4.116 4.483 -7.489 1.00 0.00 H new ATOM 0 HA PHE A 65 2.699 5.317 -9.801 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.882 3.039 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.691 3.706 -7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.825 4.122 -11.091 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.169 2.348 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.005 3.364 -12.616 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.003 1.594 -9.339 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.897 2.110 -11.722 1.00 0.00 H new ATOM 1049 N LEU A 66 1.325 6.129 -6.912 1.00 0.00 N ATOM 1050 CA LEU A 66 0.384 7.041 -6.285 1.00 0.00 C ATOM 1051 C LEU A 66 0.620 8.456 -6.815 1.00 0.00 C ATOM 1052 O LEU A 66 -0.294 9.086 -7.344 1.00 0.00 O ATOM 1053 CB LEU A 66 0.467 6.933 -4.761 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.183 5.694 -4.140 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.798 4.962 -3.224 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.479 6.062 -3.415 1.00 0.00 C ATOM 0 H LEU A 66 1.779 5.478 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.639 6.770 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.518 6.951 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.002 7.819 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.447 5.006 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.311 4.086 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.669 4.648 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.114 5.629 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.921 5.165 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.262 6.778 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.178 6.506 -4.123 1.00 0.00 H new ATOM 1068 N GLU A 67 1.853 8.915 -6.654 1.00 0.00 N ATOM 1069 CA GLU A 67 2.221 10.244 -7.110 1.00 0.00 C ATOM 1070 C GLU A 67 1.927 10.394 -8.604 1.00 0.00 C ATOM 1071 O GLU A 67 1.345 11.392 -9.029 1.00 0.00 O ATOM 1072 CB GLU A 67 3.693 10.539 -6.810 1.00 0.00 C ATOM 1073 CG GLU A 67 3.851 11.193 -5.435 1.00 0.00 C ATOM 1074 CD GLU A 67 4.311 12.646 -5.569 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.774 13.331 -6.468 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.189 13.039 -4.771 1.00 0.00 O ATOM 0 H GLU A 67 2.609 8.390 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 67 1.619 10.972 -6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.268 9.613 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.100 11.196 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.902 11.156 -4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.574 10.632 -4.842 1.00 0.00 H new ATOM 1083 N SER A 68 2.342 9.389 -9.360 1.00 0.00 N ATOM 1084 CA SER A 68 2.130 9.396 -10.798 1.00 0.00 C ATOM 1085 C SER A 68 0.648 9.612 -11.107 1.00 0.00 C ATOM 1086 O SER A 68 0.301 10.408 -11.979 1.00 0.00 O ATOM 1087 CB SER A 68 2.620 8.094 -11.433 1.00 0.00 C ATOM 1088 OG SER A 68 1.595 7.106 -11.486 1.00 0.00 O ATOM 0 H SER A 68 2.824 8.564 -9.004 1.00 0.00 H new ATOM 0 HA SER A 68 2.707 10.216 -11.225 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.981 8.296 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.466 7.709 -10.863 1.00 0.00 H new ATOM 0 HG SER A 68 1.393 6.795 -10.579 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.189 8.890 -10.375 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.625 8.994 -10.560 1.00 0.00 C ATOM 1096 C GLN A 69 -2.161 10.253 -9.875 1.00 0.00 C ATOM 1097 O GLN A 69 -3.370 10.474 -9.831 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.336 7.742 -10.039 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.082 7.550 -8.543 1.00 0.00 C ATOM 1100 CD GLN A 69 -2.978 6.449 -7.972 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.519 5.482 -7.384 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.277 6.647 -8.176 1.00 0.00 N ATOM 0 H GLN A 69 0.101 8.231 -9.653 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.829 9.072 -11.628 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.407 7.825 -10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.986 6.867 -10.586 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.035 7.294 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.268 8.486 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.594 7.478 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.956 5.968 -7.833 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.233 11.045 -9.357 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.596 12.276 -8.676 1.00 0.00 C ATOM 1113 C GLY A 70 -2.609 12.008 -7.561 1.00 0.00 C ATOM 1114 O GLY A 70 -3.640 12.673 -7.482 1.00 0.00 O ATOM 0 H GLY A 70 -0.231 10.858 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.703 12.741 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.017 12.982 -9.392 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.278 11.033 -6.726 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.145 10.670 -5.619 1.00 0.00 C ATOM 1120 C ILE A 71 -2.497 11.106 -4.304 1.00 0.00 C ATOM 1121 O ILE A 71 -1.388 11.639 -4.301 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.485 9.179 -5.672 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.750 8.875 -4.867 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.297 8.329 -5.217 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.538 7.724 -5.495 1.00 0.00 C ATOM 0 H ILE A 71 -1.421 10.484 -6.795 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.098 11.194 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.693 8.913 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.480 8.619 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.377 9.765 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.565 7.274 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.444 8.516 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.034 8.591 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.432 7.529 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.827 7.993 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.917 6.829 -5.520 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.215 10.864 -3.218 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.723 11.225 -1.899 1.00 0.00 C ATOM 1139 C ALA A 72 -2.847 10.020 -0.965 1.00 0.00 C ATOM 1140 O ALA A 72 -3.941 9.492 -0.769 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.493 12.443 -1.384 1.00 0.00 C ATOM 0 H ALA A 72 -4.134 10.422 -3.224 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.669 11.499 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.125 12.715 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.349 13.280 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.555 12.203 -1.323 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.710 9.619 -0.416 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.678 8.485 0.493 1.00 0.00 C ATOM 1149 C TYR A 73 -0.969 8.849 1.799 1.00 0.00 C ATOM 1150 O TYR A 73 -0.681 10.019 2.048 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.876 7.395 -0.222 1.00 0.00 C ATOM 1152 CG TYR A 73 0.323 7.923 -1.013 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.122 8.683 -2.147 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.606 7.638 -0.592 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.250 9.178 -2.890 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.735 8.133 -1.335 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.502 8.880 -2.448 1.00 0.00 C ATOM 1158 OH TYR A 73 3.568 9.349 -3.151 1.00 0.00 O ATOM 0 H TYR A 73 -0.805 10.058 -0.583 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.689 8.165 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.523 6.675 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.538 6.857 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.882 8.906 -2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.763 7.043 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.106 9.773 -3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.744 7.916 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 73 3.863 8.668 -3.791 1.00 0.00 H new ATOM 1168 N SER A 74 -0.707 7.826 2.599 1.00 0.00 N ATOM 1169 CA SER A 74 -0.038 8.023 3.873 1.00 0.00 C ATOM 1170 C SER A 74 0.543 6.698 4.370 1.00 0.00 C ATOM 1171 O SER A 74 0.133 5.630 3.921 1.00 0.00 O ATOM 1172 CB SER A 74 -0.996 8.607 4.913 1.00 0.00 C ATOM 1173 OG SER A 74 -0.301 9.165 6.025 1.00 0.00 O ATOM 0 H SER A 74 -0.946 6.857 2.389 1.00 0.00 H new ATOM 0 HA SER A 74 0.774 8.735 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.612 9.376 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.672 7.826 5.262 1.00 0.00 H new ATOM 0 HG SER A 74 -0.947 9.529 6.666 1.00 0.00 H new ATOM 1179 N ILE A 75 1.488 6.812 5.291 1.00 0.00 N ATOM 1180 CA ILE A 75 2.130 5.635 5.854 1.00 0.00 C ATOM 1181 C ILE A 75 1.499 5.317 7.210 1.00 0.00 C ATOM 1182 O ILE A 75 1.697 6.048 8.179 1.00 0.00 O ATOM 1183 CB ILE A 75 3.647 5.829 5.912 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.219 6.095 4.518 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.325 4.638 6.592 1.00 0.00 C ATOM 1186 CD1 ILE A 75 3.954 7.538 4.082 1.00 0.00 C ATOM 0 H ILE A 75 1.825 7.700 5.662 1.00 0.00 H new ATOM 0 HA ILE A 75 1.967 4.768 5.214 1.00 0.00 H new ATOM 0 HB ILE A 75 3.857 6.710 6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.292 5.903 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.772 5.407 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.402 4.800 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.946 4.536 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.110 3.728 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.371 7.700 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.879 7.720 4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.423 8.223 4.788 1.00 0.00 H new ATOM 1198 N MET A 76 0.751 4.223 7.236 1.00 0.00 N ATOM 1199 CA MET A 76 0.090 3.797 8.458 1.00 0.00 C ATOM 1200 C MET A 76 1.098 3.231 9.460 1.00 0.00 C ATOM 1201 O MET A 76 1.365 3.845 10.492 1.00 0.00 O ATOM 1202 CB MET A 76 -0.956 2.729 8.128 1.00 0.00 C ATOM 1203 CG MET A 76 -1.828 2.420 9.346 1.00 0.00 C ATOM 1204 SD MET A 76 -3.495 2.993 9.065 1.00 0.00 S ATOM 1205 CE MET A 76 -3.800 3.831 10.611 1.00 0.00 C ATOM 0 H MET A 76 0.588 3.619 6.430 1.00 0.00 H new ATOM 0 HA MET A 76 -0.392 4.665 8.908 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.583 3.071 7.305 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.458 1.819 7.792 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.831 1.347 9.538 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.414 2.902 10.232 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.806 4.252 10.605 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.708 3.122 11.434 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.072 4.632 10.740 1.00 0.00 H new ATOM 1215 N ILE A 77 1.632 2.067 9.119 1.00 0.00 N ATOM 1216 CA ILE A 77 2.606 1.412 9.976 1.00 0.00 C ATOM 1217 C ILE A 77 3.818 0.999 9.139 1.00 0.00 C ATOM 1218 O ILE A 77 3.667 0.497 8.027 1.00 0.00 O ATOM 1219 CB ILE A 77 1.958 0.252 10.734 1.00 0.00 C ATOM 1220 CG1 ILE A 77 2.912 -0.316 11.787 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.463 -0.826 9.768 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.370 0.774 12.757 1.00 0.00 C ATOM 0 H ILE A 77 1.409 1.561 8.262 1.00 0.00 H new ATOM 0 HA ILE A 77 2.965 2.101 10.741 1.00 0.00 H new ATOM 0 HB ILE A 77 1.085 0.635 11.263 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.416 -1.114 12.339 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.779 -0.759 11.296 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.007 -1.639 10.333 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.725 -0.396 9.090 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.304 -1.212 9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.047 0.343 13.495 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.887 1.559 12.205 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.503 1.198 13.264 1.00 0.00 H new ATOM 1234 N GLU A 78 4.995 1.226 9.707 1.00 0.00 N ATOM 1235 CA GLU A 78 6.232 0.884 9.027 1.00 0.00 C ATOM 1236 C GLU A 78 6.697 -0.514 9.442 1.00 0.00 C ATOM 1237 O GLU A 78 5.880 -1.417 9.617 1.00 0.00 O ATOM 1238 CB GLU A 78 7.316 1.927 9.304 1.00 0.00 C ATOM 1239 CG GLU A 78 7.802 1.842 10.752 1.00 0.00 C ATOM 1240 CD GLU A 78 9.331 1.876 10.820 1.00 0.00 C ATOM 1241 OE1 GLU A 78 9.926 2.478 9.902 1.00 0.00 O ATOM 1242 OE2 GLU A 78 9.868 1.298 11.789 1.00 0.00 O ATOM 0 H GLU A 78 5.117 1.642 10.630 1.00 0.00 H new ATOM 0 HA GLU A 78 6.044 0.879 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.155 1.773 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.925 2.925 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.390 2.671 11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.434 0.924 11.210 1.00 0.00 H new