USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 111 ASN : amide:sc= -1.36 K(o=-1.7,f=-11!) USER MOD Set 1.2: A 113 ASN : amide:sc= -0.315 K(o=-1.7,f=-6.5!) USER MOD Set 2.1: A 78 THR OG1 : rot -88:sc= 1.3 USER MOD Set 2.2: A 79 HIS : no HE2:sc= 0.0585 K(o=1.4,f=0.78) USER MOD Single : A 15 SER OG : rot 92:sc= 0.144 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -77:sc= 1.04 USER MOD Single : A 21 SER OG : rot -79:sc= 0.437 USER MOD Single : A 22 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00117 X(o=-0.0012,f=-0.081) USER MOD Single : A 30 LYS NZ :NH3+ 124:sc= 1.25 (180deg=0.248) USER MOD Single : A 38 SER OG : rot 180:sc= 0.101 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 47 ASN : amide:sc= 0.157 K(o=0.16,f=-3.4!) USER MOD Single : A 49 TYR OH : rot 80:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0.616 (180deg=-0.313!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0213) USER MOD Single : A 67 LYS NZ :NH3+ -106:sc= -2.83! (180deg=-5.95!) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0818) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -84:sc= 1.26 USER MOD Single : B 396 LYS NZ :NH3+ -130:sc= 1.17 (180deg=0.824) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -5.819 12.615 -10.116 1.00 0.00 N ATOM 140 CA PHE A 14 -5.248 11.459 -9.445 1.00 0.00 C ATOM 141 C PHE A 14 -5.743 11.396 -8.006 1.00 0.00 C ATOM 142 O PHE A 14 -4.967 11.568 -7.059 1.00 0.00 O ATOM 143 CB PHE A 14 -3.720 11.528 -9.476 1.00 0.00 C ATOM 144 CG PHE A 14 -3.136 11.448 -10.858 1.00 0.00 C ATOM 145 CD1 PHE A 14 -2.863 10.222 -11.438 1.00 0.00 C ATOM 146 CD2 PHE A 14 -2.859 12.599 -11.577 1.00 0.00 C ATOM 147 CE1 PHE A 14 -2.327 10.143 -12.708 1.00 0.00 C ATOM 148 CE2 PHE A 14 -2.322 12.525 -12.849 1.00 0.00 C ATOM 149 CZ PHE A 14 -2.055 11.297 -13.415 1.00 0.00 C ATOM 0 HA PHE A 14 -5.565 10.557 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.398 12.459 -9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.317 10.714 -8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.072 9.315 -10.890 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.065 13.565 -11.139 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.121 9.179 -13.148 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.112 13.430 -13.399 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.635 11.238 -14.408 1.00 0.00 H new ATOM 159 N SER A 15 -7.037 11.149 -7.857 1.00 0.00 N ATOM 160 CA SER A 15 -7.673 11.083 -6.552 1.00 0.00 C ATOM 161 C SER A 15 -7.086 9.974 -5.677 1.00 0.00 C ATOM 162 O SER A 15 -6.744 10.203 -4.520 1.00 0.00 O ATOM 163 CB SER A 15 -9.171 10.864 -6.736 1.00 0.00 C ATOM 164 OG SER A 15 -9.568 11.189 -8.060 1.00 0.00 O ATOM 0 H SER A 15 -7.674 10.989 -8.638 1.00 0.00 H new ATOM 0 HA SER A 15 -7.488 12.027 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.421 9.825 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.723 11.478 -6.025 1.00 0.00 H new ATOM 0 HG SER A 15 -9.529 10.386 -8.620 1.00 0.00 H new ATOM 170 N GLU A 16 -6.949 8.777 -6.236 1.00 0.00 N ATOM 171 CA GLU A 16 -6.413 7.646 -5.479 1.00 0.00 C ATOM 172 C GLU A 16 -4.920 7.825 -5.229 1.00 0.00 C ATOM 173 O GLU A 16 -4.419 7.482 -4.158 1.00 0.00 O ATOM 174 CB GLU A 16 -6.663 6.305 -6.192 1.00 0.00 C ATOM 175 CG GLU A 16 -7.250 6.428 -7.590 1.00 0.00 C ATOM 176 CD GLU A 16 -6.268 6.995 -8.589 1.00 0.00 C ATOM 177 OE1 GLU A 16 -5.358 6.260 -9.018 1.00 0.00 O ATOM 178 OE2 GLU A 16 -6.406 8.180 -8.948 1.00 0.00 O ATOM 0 H GLU A 16 -7.198 8.563 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.939 7.623 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.720 5.761 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.337 5.704 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.580 5.446 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.133 7.066 -7.554 1.00 0.00 H new ATOM 185 N TYR A 17 -4.222 8.387 -6.208 1.00 0.00 N ATOM 186 CA TYR A 17 -2.786 8.605 -6.099 1.00 0.00 C ATOM 187 C TYR A 17 -2.444 9.479 -4.893 1.00 0.00 C ATOM 188 O TYR A 17 -1.510 9.179 -4.148 1.00 0.00 O ATOM 189 CB TYR A 17 -2.246 9.248 -7.374 1.00 0.00 C ATOM 190 CG TYR A 17 -0.841 8.819 -7.724 1.00 0.00 C ATOM 191 CD1 TYR A 17 0.259 9.338 -7.050 1.00 0.00 C ATOM 192 CD2 TYR A 17 -0.615 7.892 -8.731 1.00 0.00 C ATOM 193 CE1 TYR A 17 1.542 8.944 -7.372 1.00 0.00 C ATOM 194 CE2 TYR A 17 0.666 7.495 -9.058 1.00 0.00 C ATOM 195 CZ TYR A 17 1.740 8.022 -8.375 1.00 0.00 C ATOM 196 OH TYR A 17 3.014 7.628 -8.700 1.00 0.00 O ATOM 0 H TYR A 17 -4.629 8.701 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.315 7.632 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.909 9.001 -8.203 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.268 10.332 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.107 10.061 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.454 7.474 -9.267 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.386 9.357 -6.840 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.826 6.774 -9.846 1.00 0.00 H new ATOM 0 HH TYR A 17 2.978 6.972 -9.427 1.00 0.00 H new ATOM 206 N SER A 18 -3.209 10.544 -4.689 1.00 0.00 N ATOM 207 CA SER A 18 -2.962 11.457 -3.579 1.00 0.00 C ATOM 208 C SER A 18 -3.357 10.834 -2.239 1.00 0.00 C ATOM 209 O SER A 18 -2.764 11.140 -1.203 1.00 0.00 O ATOM 210 CB SER A 18 -3.713 12.770 -3.795 1.00 0.00 C ATOM 211 OG SER A 18 -4.889 12.567 -4.564 1.00 0.00 O ATOM 0 H SER A 18 -4.004 10.797 -5.276 1.00 0.00 H new ATOM 0 HA SER A 18 -1.891 11.660 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.976 13.205 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.064 13.485 -4.300 1.00 0.00 H new ATOM 0 HG SER A 18 -4.648 12.458 -5.508 1.00 0.00 H new ATOM 217 N ARG A 19 -4.351 9.955 -2.264 1.00 0.00 N ATOM 218 CA ARG A 19 -4.817 9.297 -1.048 1.00 0.00 C ATOM 219 C ARG A 19 -3.797 8.279 -0.551 1.00 0.00 C ATOM 220 O ARG A 19 -3.572 8.145 0.655 1.00 0.00 O ATOM 221 CB ARG A 19 -6.166 8.616 -1.296 1.00 0.00 C ATOM 222 CG ARG A 19 -7.298 9.603 -1.530 1.00 0.00 C ATOM 223 CD ARG A 19 -8.521 8.941 -2.147 1.00 0.00 C ATOM 224 NE ARG A 19 -9.478 9.937 -2.626 1.00 0.00 N ATOM 225 CZ ARG A 19 -10.408 9.706 -3.554 1.00 0.00 C ATOM 226 NH1 ARG A 19 -10.529 8.505 -4.104 1.00 0.00 N ATOM 227 NH2 ARG A 19 -11.227 10.678 -3.934 1.00 0.00 N ATOM 0 H ARG A 19 -4.850 9.681 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.941 10.058 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.081 7.958 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.411 7.987 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.576 10.065 -0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.951 10.402 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.213 8.302 -2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.001 8.298 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.431 10.873 -2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.908 7.748 -3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.243 8.338 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.147 11.605 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.937 10.498 -4.644 1.00 0.00 H new ATOM 241 N ILE A 20 -3.178 7.569 -1.484 1.00 0.00 N ATOM 242 CA ILE A 20 -2.182 6.558 -1.146 1.00 0.00 C ATOM 243 C ILE A 20 -0.835 7.194 -0.792 1.00 0.00 C ATOM 244 O ILE A 20 -0.232 6.854 0.224 1.00 0.00 O ATOM 245 CB ILE A 20 -1.997 5.540 -2.302 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.017 4.405 -2.192 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.587 4.964 -2.311 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.443 4.816 -2.486 1.00 0.00 C ATOM 0 H ILE A 20 -3.348 7.674 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.554 6.027 -0.270 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.158 6.075 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.732 3.609 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.972 3.988 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.489 4.254 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.135 5.771 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.396 4.454 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.099 3.951 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.751 5.589 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.508 5.204 -3.503 1.00 0.00 H new ATOM 260 N SER A 21 -0.373 8.114 -1.632 1.00 0.00 N ATOM 261 CA SER A 21 0.912 8.785 -1.403 1.00 0.00 C ATOM 262 C SER A 21 0.983 9.404 -0.006 1.00 0.00 C ATOM 263 O SER A 21 1.985 9.256 0.696 1.00 0.00 O ATOM 264 CB SER A 21 1.154 9.857 -2.467 1.00 0.00 C ATOM 265 OG SER A 21 0.015 10.681 -2.631 1.00 0.00 O ATOM 0 H SER A 21 -0.862 8.415 -2.475 1.00 0.00 H new ATOM 0 HA SER A 21 1.694 8.029 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.011 10.468 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.402 9.382 -3.416 1.00 0.00 H new ATOM 0 HG SER A 21 -0.650 10.215 -3.180 1.00 0.00 H new ATOM 271 N ASN A 22 -0.087 10.082 0.399 1.00 0.00 N ATOM 272 CA ASN A 22 -0.139 10.710 1.714 1.00 0.00 C ATOM 273 C ASN A 22 -0.092 9.659 2.818 1.00 0.00 C ATOM 274 O ASN A 22 0.534 9.869 3.850 1.00 0.00 O ATOM 275 CB ASN A 22 -1.393 11.570 1.855 1.00 0.00 C ATOM 276 CG ASN A 22 -1.088 13.055 1.786 1.00 0.00 C ATOM 277 OD1 ASN A 22 -1.142 13.663 0.718 1.00 0.00 O ATOM 278 ND2 ASN A 22 -0.768 13.648 2.925 1.00 0.00 N ATOM 0 H ASN A 22 -0.928 10.210 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 22 0.735 11.354 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.099 11.310 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.879 11.346 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.555 14.645 2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.735 13.108 3.789 1.00 0.00 H new ATOM 285 N LEU A 23 -0.745 8.528 2.582 1.00 0.00 N ATOM 286 CA LEU A 23 -0.765 7.427 3.541 1.00 0.00 C ATOM 287 C LEU A 23 0.669 6.946 3.792 1.00 0.00 C ATOM 288 O LEU A 23 1.041 6.631 4.922 1.00 0.00 O ATOM 289 CB LEU A 23 -1.729 6.329 3.002 1.00 0.00 C ATOM 290 CG LEU A 23 -1.401 4.835 3.217 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.289 4.353 2.300 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.072 4.536 4.657 1.00 0.00 C ATOM 0 H LEU A 23 -1.272 8.347 1.728 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.148 7.734 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.708 6.512 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.831 6.487 1.928 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.304 4.282 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.094 3.297 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.590 4.487 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.616 4.929 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.847 3.475 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.206 5.124 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.924 4.793 5.286 1.00 0.00 H new ATOM 304 N ILE A 24 1.480 6.953 2.743 1.00 0.00 N ATOM 305 CA ILE A 24 2.865 6.522 2.850 1.00 0.00 C ATOM 306 C ILE A 24 3.701 7.524 3.653 1.00 0.00 C ATOM 307 O ILE A 24 4.359 7.149 4.628 1.00 0.00 O ATOM 308 CB ILE A 24 3.486 6.297 1.446 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.177 4.878 0.958 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.996 6.536 1.447 1.00 0.00 C ATOM 311 CD1 ILE A 24 3.736 3.799 1.861 1.00 0.00 C ATOM 0 H ILE A 24 1.202 7.253 1.809 1.00 0.00 H new ATOM 0 HA ILE A 24 2.873 5.573 3.386 1.00 0.00 H new ATOM 0 HB ILE A 24 3.039 7.021 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.097 4.755 0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.584 4.750 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.392 6.368 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.202 7.562 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.473 5.848 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.481 2.819 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.820 3.897 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.310 3.903 2.859 1.00 0.00 H new ATOM 323 N VAL A 25 3.639 8.795 3.272 1.00 0.00 N ATOM 324 CA VAL A 25 4.414 9.831 3.947 1.00 0.00 C ATOM 325 C VAL A 25 3.941 10.050 5.390 1.00 0.00 C ATOM 326 O VAL A 25 4.761 10.209 6.296 1.00 0.00 O ATOM 327 CB VAL A 25 4.388 11.169 3.158 1.00 0.00 C ATOM 328 CG1 VAL A 25 2.968 11.674 2.960 1.00 0.00 C ATOM 329 CG2 VAL A 25 5.238 12.225 3.848 1.00 0.00 C ATOM 0 H VAL A 25 3.062 9.133 2.502 1.00 0.00 H new ATOM 0 HA VAL A 25 5.444 9.477 3.983 1.00 0.00 H new ATOM 0 HB VAL A 25 4.813 10.973 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.989 12.612 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.393 10.935 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.502 11.839 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.203 13.152 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.852 12.404 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.269 11.877 3.912 1.00 0.00 H new ATOM 339 N LEU A 26 2.631 10.021 5.610 1.00 0.00 N ATOM 340 CA LEU A 26 2.075 10.234 6.944 1.00 0.00 C ATOM 341 C LEU A 26 2.436 9.095 7.887 1.00 0.00 C ATOM 342 O LEU A 26 2.867 9.328 9.017 1.00 0.00 O ATOM 343 CB LEU A 26 0.559 10.388 6.874 1.00 0.00 C ATOM 344 CG LEU A 26 0.072 11.783 6.491 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.351 11.716 5.970 1.00 0.00 C ATOM 346 CD2 LEU A 26 0.164 12.724 7.681 1.00 0.00 C ATOM 0 H LEU A 26 1.934 9.853 4.884 1.00 0.00 H new ATOM 0 HA LEU A 26 2.511 11.153 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.169 9.672 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.136 10.125 7.844 1.00 0.00 H new ATOM 0 HG LEU A 26 0.712 12.172 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.687 12.717 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.387 11.072 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.003 11.311 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.187 13.714 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.455 12.344 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.200 12.790 8.014 1.00 0.00 H new ATOM 358 N HIS A 27 2.256 7.863 7.430 1.00 0.00 N ATOM 359 CA HIS A 27 2.572 6.707 8.259 1.00 0.00 C ATOM 360 C HIS A 27 4.061 6.663 8.577 1.00 0.00 C ATOM 361 O HIS A 27 4.450 6.382 9.711 1.00 0.00 O ATOM 362 CB HIS A 27 2.148 5.395 7.586 1.00 0.00 C ATOM 363 CG HIS A 27 2.303 4.197 8.475 1.00 0.00 C ATOM 364 ND1 HIS A 27 3.179 3.167 8.206 1.00 0.00 N ATOM 365 CD2 HIS A 27 1.687 3.870 9.636 1.00 0.00 C ATOM 366 CE1 HIS A 27 3.098 2.262 9.166 1.00 0.00 C ATOM 367 NE2 HIS A 27 2.200 2.665 10.043 1.00 0.00 N ATOM 0 H HIS A 27 1.897 7.639 6.502 1.00 0.00 H new ATOM 0 HA HIS A 27 2.009 6.812 9.187 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.107 5.475 7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.742 5.249 6.684 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.932 4.450 10.146 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.670 1.348 9.222 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.930 2.162 10.888 1.00 0.00 H new ATOM 376 N LEU A 28 4.889 6.942 7.576 1.00 0.00 N ATOM 377 CA LEU A 28 6.332 6.921 7.764 1.00 0.00 C ATOM 378 C LEU A 28 6.771 7.982 8.766 1.00 0.00 C ATOM 379 O LEU A 28 7.483 7.673 9.720 1.00 0.00 O ATOM 380 CB LEU A 28 7.048 7.125 6.424 1.00 0.00 C ATOM 381 CG LEU A 28 8.523 6.692 6.381 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.432 7.787 6.920 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.731 5.395 7.154 1.00 0.00 C ATOM 0 H LEU A 28 4.587 7.184 6.632 1.00 0.00 H new ATOM 0 HA LEU A 28 6.606 5.945 8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.505 6.575 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.991 8.181 6.160 1.00 0.00 H new ATOM 0 HG LEU A 28 8.787 6.516 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.469 7.453 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.316 8.687 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.164 8.007 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.782 5.109 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.439 5.540 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.121 4.607 6.713 1.00 0.00 H new ATOM 395 N ARG A 29 6.322 9.218 8.570 1.00 0.00 N ATOM 396 CA ARG A 29 6.697 10.310 9.463 1.00 0.00 C ATOM 397 C ARG A 29 6.203 10.046 10.884 1.00 0.00 C ATOM 398 O ARG A 29 6.815 10.486 11.857 1.00 0.00 O ATOM 399 CB ARG A 29 6.169 11.656 8.942 1.00 0.00 C ATOM 400 CG ARG A 29 4.677 11.877 9.154 1.00 0.00 C ATOM 401 CD ARG A 29 4.248 13.259 8.686 1.00 0.00 C ATOM 402 NE ARG A 29 5.012 14.320 9.342 1.00 0.00 N ATOM 403 CZ ARG A 29 5.212 15.533 8.824 1.00 0.00 C ATOM 404 NH1 ARG A 29 4.666 15.861 7.657 1.00 0.00 N ATOM 405 NH2 ARG A 29 5.951 16.421 9.484 1.00 0.00 N ATOM 0 H ARG A 29 5.702 9.488 7.806 1.00 0.00 H new ATOM 0 HA ARG A 29 7.785 10.363 9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.716 12.461 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.386 11.728 7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.115 11.117 8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.437 11.758 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.378 13.333 7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.186 13.398 8.890 1.00 0.00 H new ATOM 0 HE ARG A 29 5.419 14.119 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.092 15.184 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.821 16.789 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.363 16.174 10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.106 17.349 9.090 1.00 0.00 H new ATOM 419 N LYS A 30 5.097 9.327 10.998 1.00 0.00 N ATOM 420 CA LYS A 30 4.532 9.000 12.296 1.00 0.00 C ATOM 421 C LYS A 30 5.382 7.947 13.008 1.00 0.00 C ATOM 422 O LYS A 30 5.816 8.153 14.139 1.00 0.00 O ATOM 423 CB LYS A 30 3.092 8.500 12.135 1.00 0.00 C ATOM 424 CG LYS A 30 2.317 8.403 13.443 1.00 0.00 C ATOM 425 CD LYS A 30 2.214 9.748 14.143 1.00 0.00 C ATOM 426 CE LYS A 30 1.129 9.733 15.208 1.00 0.00 C ATOM 427 NZ LYS A 30 1.341 10.786 16.234 1.00 0.00 N ATOM 0 H LYS A 30 4.572 8.958 10.205 1.00 0.00 H new ATOM 0 HA LYS A 30 4.526 9.904 12.906 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.560 9.169 11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.111 7.518 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.316 8.020 13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.807 7.687 14.103 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.172 9.997 14.600 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.998 10.526 13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.157 9.877 14.737 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.108 8.756 15.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.496 11.389 16.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.513 10.341 17.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.163 11.367 15.971 1.00 0.00 H new ATOM 441 N VAL A 31 5.651 6.835 12.330 1.00 0.00 N ATOM 442 CA VAL A 31 6.422 5.744 12.929 1.00 0.00 C ATOM 443 C VAL A 31 7.874 6.134 13.219 1.00 0.00 C ATOM 444 O VAL A 31 8.454 5.674 14.198 1.00 0.00 O ATOM 445 CB VAL A 31 6.397 4.459 12.063 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.976 3.939 11.924 1.00 0.00 C ATOM 447 CG2 VAL A 31 7.020 4.696 10.693 1.00 0.00 C ATOM 0 H VAL A 31 5.350 6.664 11.371 1.00 0.00 H new ATOM 0 HA VAL A 31 5.928 5.536 13.878 1.00 0.00 H new ATOM 0 HB VAL A 31 6.997 3.704 12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.977 3.036 11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.575 3.709 12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.356 4.698 11.448 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.985 3.774 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.464 5.474 10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.057 5.010 10.814 1.00 0.00 H new ATOM 457 N GLU A 32 8.460 6.984 12.389 1.00 0.00 N ATOM 458 CA GLU A 32 9.846 7.396 12.595 1.00 0.00 C ATOM 459 C GLU A 32 9.980 8.335 13.792 1.00 0.00 C ATOM 460 O GLU A 32 11.029 8.393 14.431 1.00 0.00 O ATOM 461 CB GLU A 32 10.413 8.061 11.335 1.00 0.00 C ATOM 462 CG GLU A 32 9.701 9.341 10.942 1.00 0.00 C ATOM 463 CD GLU A 32 10.633 10.529 10.866 1.00 0.00 C ATOM 464 OE1 GLU A 32 11.203 10.776 9.786 1.00 0.00 O ATOM 465 OE2 GLU A 32 10.792 11.230 11.887 1.00 0.00 O ATOM 0 H GLU A 32 8.007 7.399 11.575 1.00 0.00 H new ATOM 0 HA GLU A 32 10.423 6.496 12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.469 8.279 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.355 7.355 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.218 9.201 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.912 9.549 11.665 1.00 0.00 H new ATOM 472 N GLU A 33 8.922 9.072 14.090 1.00 0.00 N ATOM 473 CA GLU A 33 8.944 10.019 15.194 1.00 0.00 C ATOM 474 C GLU A 33 8.414 9.406 16.491 1.00 0.00 C ATOM 475 O GLU A 33 8.947 9.668 17.569 1.00 0.00 O ATOM 476 CB GLU A 33 8.122 11.252 14.819 1.00 0.00 C ATOM 477 CG GLU A 33 8.279 12.420 15.778 1.00 0.00 C ATOM 478 CD GLU A 33 7.597 13.673 15.274 1.00 0.00 C ATOM 479 OE1 GLU A 33 6.361 13.787 15.422 1.00 0.00 O ATOM 480 OE2 GLU A 33 8.293 14.553 14.720 1.00 0.00 O ATOM 0 H GLU A 33 8.038 9.033 13.583 1.00 0.00 H new ATOM 0 HA GLU A 33 9.981 10.302 15.374 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.410 11.576 13.819 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.069 10.973 14.773 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.864 12.149 16.749 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.339 12.622 15.930 1.00 0.00 H new ATOM 487 N GLU A 34 7.371 8.593 16.386 1.00 0.00 N ATOM 488 CA GLU A 34 6.757 7.977 17.562 1.00 0.00 C ATOM 489 C GLU A 34 7.553 6.783 18.084 1.00 0.00 C ATOM 490 O GLU A 34 8.057 6.805 19.204 1.00 0.00 O ATOM 491 CB GLU A 34 5.329 7.542 17.241 1.00 0.00 C ATOM 492 CG GLU A 34 4.413 8.696 16.876 1.00 0.00 C ATOM 493 CD GLU A 34 3.927 9.470 18.082 1.00 0.00 C ATOM 494 OE1 GLU A 34 4.765 9.955 18.867 1.00 0.00 O ATOM 495 OE2 GLU A 34 2.699 9.597 18.248 1.00 0.00 O ATOM 0 H GLU A 34 6.930 8.343 15.501 1.00 0.00 H new ATOM 0 HA GLU A 34 6.750 8.732 18.348 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.351 6.831 16.415 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.915 7.018 18.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.941 9.374 16.205 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.553 8.311 16.328 1.00 0.00 H new ATOM 502 N GLU A 35 7.652 5.735 17.278 1.00 0.00 N ATOM 503 CA GLU A 35 8.365 4.530 17.689 1.00 0.00 C ATOM 504 C GLU A 35 9.813 4.536 17.212 1.00 0.00 C ATOM 505 O GLU A 35 10.597 3.667 17.593 1.00 0.00 O ATOM 506 CB GLU A 35 7.637 3.286 17.176 1.00 0.00 C ATOM 507 CG GLU A 35 7.072 3.437 15.772 1.00 0.00 C ATOM 508 CD GLU A 35 5.941 2.470 15.496 1.00 0.00 C ATOM 509 OE1 GLU A 35 4.863 2.622 16.110 1.00 0.00 O ATOM 510 OE2 GLU A 35 6.118 1.558 14.663 1.00 0.00 O ATOM 0 H GLU A 35 7.251 5.693 16.341 1.00 0.00 H new ATOM 0 HA GLU A 35 8.382 4.511 18.779 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.326 2.442 17.191 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.824 3.045 17.860 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.715 4.458 15.635 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.868 3.278 15.044 1.00 0.00 H new ATOM 517 N ASP A 36 10.152 5.515 16.379 1.00 0.00 N ATOM 518 CA ASP A 36 11.508 5.655 15.837 1.00 0.00 C ATOM 519 C ASP A 36 11.885 4.430 15.013 1.00 0.00 C ATOM 520 O ASP A 36 13.051 4.034 14.953 1.00 0.00 O ATOM 521 CB ASP A 36 12.532 5.878 16.958 1.00 0.00 C ATOM 522 CG ASP A 36 12.442 7.260 17.572 1.00 0.00 C ATOM 523 OD1 ASP A 36 13.123 8.184 17.078 1.00 0.00 O ATOM 524 OD2 ASP A 36 11.698 7.430 18.557 1.00 0.00 O ATOM 0 H ASP A 36 9.501 6.233 16.059 1.00 0.00 H new ATOM 0 HA ASP A 36 11.519 6.530 15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.380 5.130 17.736 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.536 5.727 16.562 1.00 0.00 H new ATOM 529 N GLU A 37 10.888 3.848 14.362 1.00 0.00 N ATOM 530 CA GLU A 37 11.088 2.666 13.543 1.00 0.00 C ATOM 531 C GLU A 37 10.553 2.915 12.143 1.00 0.00 C ATOM 532 O GLU A 37 9.363 2.753 11.881 1.00 0.00 O ATOM 533 CB GLU A 37 10.397 1.450 14.169 1.00 0.00 C ATOM 534 CG GLU A 37 10.860 1.157 15.586 1.00 0.00 C ATOM 535 CD GLU A 37 10.512 -0.240 16.045 1.00 0.00 C ATOM 536 OE1 GLU A 37 9.402 -0.439 16.585 1.00 0.00 O ATOM 537 OE2 GLU A 37 11.357 -1.149 15.891 1.00 0.00 O ATOM 0 H GLU A 37 9.924 4.181 14.387 1.00 0.00 H new ATOM 0 HA GLU A 37 12.156 2.457 13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.320 1.616 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.582 0.575 13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.940 1.294 15.645 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.409 1.880 16.266 1.00 0.00 H new ATOM 544 N SER A 38 11.435 3.342 11.260 1.00 0.00 N ATOM 545 CA SER A 38 11.068 3.628 9.882 1.00 0.00 C ATOM 546 C SER A 38 11.073 2.354 9.034 1.00 0.00 C ATOM 547 O SER A 38 10.415 2.283 7.996 1.00 0.00 O ATOM 548 CB SER A 38 12.038 4.656 9.307 1.00 0.00 C ATOM 549 OG SER A 38 13.216 4.724 10.098 1.00 0.00 O ATOM 0 H SER A 38 12.420 3.500 11.473 1.00 0.00 H new ATOM 0 HA SER A 38 10.056 4.032 9.863 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.296 4.388 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.560 5.635 9.270 1.00 0.00 H new ATOM 0 HG SER A 38 13.829 5.386 9.716 1.00 0.00 H new ATOM 555 N ALA A 39 11.830 1.359 9.477 1.00 0.00 N ATOM 556 CA ALA A 39 11.917 0.089 8.773 1.00 0.00 C ATOM 557 C ALA A 39 10.860 -0.881 9.283 1.00 0.00 C ATOM 558 O ALA A 39 10.780 -1.149 10.485 1.00 0.00 O ATOM 559 CB ALA A 39 13.303 -0.511 8.928 1.00 0.00 C ATOM 0 H ALA A 39 12.395 1.409 10.325 1.00 0.00 H new ATOM 0 HA ALA A 39 11.734 0.272 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.350 -1.461 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.044 0.174 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.511 -0.677 9.985 1.00 0.00 H new ATOM 565 N LEU A 40 10.055 -1.403 8.369 1.00 0.00 N ATOM 566 CA LEU A 40 8.997 -2.340 8.722 1.00 0.00 C ATOM 567 C LEU A 40 8.668 -3.249 7.539 1.00 0.00 C ATOM 568 O LEU A 40 9.438 -3.336 6.581 1.00 0.00 O ATOM 569 CB LEU A 40 7.738 -1.585 9.177 1.00 0.00 C ATOM 570 CG LEU A 40 6.992 -0.802 8.089 1.00 0.00 C ATOM 571 CD1 LEU A 40 5.492 -0.856 8.332 1.00 0.00 C ATOM 572 CD2 LEU A 40 7.463 0.647 8.045 1.00 0.00 C ATOM 0 H LEU A 40 10.115 -1.193 7.373 1.00 0.00 H new ATOM 0 HA LEU A 40 9.350 -2.958 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.047 -2.304 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.021 -0.890 9.967 1.00 0.00 H new ATOM 0 HG LEU A 40 7.211 -1.265 7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.977 -0.296 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.158 -1.893 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.265 -0.417 9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.920 1.183 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.275 1.120 9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.531 0.676 7.828 1.00 0.00 H new ATOM 584 N LYS A 41 7.532 -3.930 7.615 1.00 0.00 N ATOM 585 CA LYS A 41 7.099 -4.822 6.548 1.00 0.00 C ATOM 586 C LYS A 41 6.286 -4.038 5.523 1.00 0.00 C ATOM 587 O LYS A 41 5.350 -3.324 5.883 1.00 0.00 O ATOM 588 CB LYS A 41 6.265 -5.975 7.120 1.00 0.00 C ATOM 589 CG LYS A 41 6.900 -6.652 8.326 1.00 0.00 C ATOM 590 CD LYS A 41 8.193 -7.359 7.959 1.00 0.00 C ATOM 591 CE LYS A 41 7.928 -8.638 7.183 1.00 0.00 C ATOM 592 NZ LYS A 41 9.187 -9.336 6.810 1.00 0.00 N ATOM 0 H LYS A 41 6.892 -3.881 8.408 1.00 0.00 H new ATOM 0 HA LYS A 41 7.977 -5.244 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.283 -5.596 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.106 -6.719 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.099 -5.908 9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.200 -7.372 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.816 -6.693 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.752 -7.591 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.309 -9.304 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.363 -8.404 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.960 -10.203 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.768 -8.711 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.715 -9.583 7.671 1.00 0.00 H new ATOM 606 N ARG A 42 6.626 -4.185 4.249 1.00 0.00 N ATOM 607 CA ARG A 42 5.937 -3.456 3.186 1.00 0.00 C ATOM 608 C ARG A 42 4.488 -3.921 3.029 1.00 0.00 C ATOM 609 O ARG A 42 3.615 -3.133 2.667 1.00 0.00 O ATOM 610 CB ARG A 42 6.694 -3.586 1.858 1.00 0.00 C ATOM 611 CG ARG A 42 6.643 -4.972 1.238 1.00 0.00 C ATOM 612 CD ARG A 42 7.556 -5.072 0.025 1.00 0.00 C ATOM 613 NE ARG A 42 7.474 -6.387 -0.614 1.00 0.00 N ATOM 614 CZ ARG A 42 8.024 -6.688 -1.791 1.00 0.00 C ATOM 615 NH1 ARG A 42 8.719 -5.773 -2.458 1.00 0.00 N ATOM 616 NH2 ARG A 42 7.889 -7.909 -2.296 1.00 0.00 N ATOM 0 H ARG A 42 7.372 -4.800 3.925 1.00 0.00 H new ATOM 0 HA ARG A 42 5.916 -2.404 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.283 -2.869 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.737 -3.312 2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.938 -5.715 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.619 -5.203 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.287 -4.301 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.585 -4.879 0.328 1.00 0.00 H new ATOM 0 HE ARG A 42 6.962 -7.122 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.833 -4.837 -2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.138 -6.007 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.364 -8.618 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.310 -8.138 -3.196 1.00 0.00 H new ATOM 630 N SER A 43 4.232 -5.189 3.320 1.00 0.00 N ATOM 631 CA SER A 43 2.890 -5.746 3.208 1.00 0.00 C ATOM 632 C SER A 43 1.974 -5.174 4.290 1.00 0.00 C ATOM 633 O SER A 43 0.768 -5.046 4.095 1.00 0.00 O ATOM 634 CB SER A 43 2.957 -7.270 3.316 1.00 0.00 C ATOM 635 OG SER A 43 4.185 -7.759 2.795 1.00 0.00 O ATOM 0 H SER A 43 4.938 -5.854 3.636 1.00 0.00 H new ATOM 0 HA SER A 43 2.475 -5.473 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.854 -7.570 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.123 -7.715 2.772 1.00 0.00 H new ATOM 0 HG SER A 43 4.209 -8.735 2.875 1.00 0.00 H new ATOM 641 N GLU A 44 2.566 -4.811 5.419 1.00 0.00 N ATOM 642 CA GLU A 44 1.822 -4.252 6.540 1.00 0.00 C ATOM 643 C GLU A 44 1.280 -2.867 6.198 1.00 0.00 C ATOM 644 O GLU A 44 0.181 -2.503 6.615 1.00 0.00 O ATOM 645 CB GLU A 44 2.728 -4.179 7.769 1.00 0.00 C ATOM 646 CG GLU A 44 2.066 -3.571 8.991 1.00 0.00 C ATOM 647 CD GLU A 44 2.860 -3.816 10.254 1.00 0.00 C ATOM 648 OE1 GLU A 44 3.775 -3.019 10.552 1.00 0.00 O ATOM 649 OE2 GLU A 44 2.576 -4.810 10.952 1.00 0.00 O ATOM 0 H GLU A 44 3.569 -4.895 5.584 1.00 0.00 H new ATOM 0 HA GLU A 44 0.973 -4.901 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.069 -5.184 8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.614 -3.594 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.947 -2.498 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.066 -3.989 9.106 1.00 0.00 H new ATOM 656 N LEU A 45 2.056 -2.110 5.427 1.00 0.00 N ATOM 657 CA LEU A 45 1.675 -0.760 5.017 1.00 0.00 C ATOM 658 C LEU A 45 0.284 -0.750 4.392 1.00 0.00 C ATOM 659 O LEU A 45 -0.585 0.015 4.802 1.00 0.00 O ATOM 660 CB LEU A 45 2.691 -0.202 4.019 1.00 0.00 C ATOM 661 CG LEU A 45 4.092 0.046 4.581 1.00 0.00 C ATOM 662 CD1 LEU A 45 5.084 0.263 3.449 1.00 0.00 C ATOM 663 CD2 LEU A 45 4.084 1.244 5.519 1.00 0.00 C ATOM 0 H LEU A 45 2.962 -2.412 5.070 1.00 0.00 H new ATOM 0 HA LEU A 45 1.660 -0.131 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.771 -0.895 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.306 0.737 3.620 1.00 0.00 H new ATOM 0 HG LEU A 45 4.400 -0.833 5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.077 0.438 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.108 -0.621 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.779 1.127 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.088 1.407 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.759 2.130 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.399 1.054 6.346 1.00 0.00 H new ATOM 675 N VAL A 46 0.090 -1.599 3.397 1.00 0.00 N ATOM 676 CA VAL A 46 -1.194 -1.702 2.723 1.00 0.00 C ATOM 677 C VAL A 46 -2.220 -2.401 3.615 1.00 0.00 C ATOM 678 O VAL A 46 -3.390 -2.026 3.642 1.00 0.00 O ATOM 679 CB VAL A 46 -1.064 -2.445 1.363 1.00 0.00 C ATOM 680 CG1 VAL A 46 0.002 -3.527 1.416 1.00 0.00 C ATOM 681 CG2 VAL A 46 -2.390 -3.048 0.927 1.00 0.00 C ATOM 0 H VAL A 46 0.807 -2.229 3.037 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.541 -0.689 2.521 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.763 -1.699 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.064 -4.024 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.966 -3.077 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.258 -4.257 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.261 -3.559 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.730 -3.761 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.131 -2.256 0.817 1.00 0.00 H new ATOM 691 N ASN A 47 -1.751 -3.382 4.375 1.00 0.00 N ATOM 692 CA ASN A 47 -2.611 -4.179 5.252 1.00 0.00 C ATOM 693 C ASN A 47 -3.465 -3.320 6.190 1.00 0.00 C ATOM 694 O ASN A 47 -4.696 -3.393 6.147 1.00 0.00 O ATOM 695 CB ASN A 47 -1.771 -5.160 6.073 1.00 0.00 C ATOM 696 CG ASN A 47 -2.615 -6.283 6.644 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.307 -6.996 5.909 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.578 -6.441 7.956 1.00 0.00 N ATOM 0 H ASN A 47 -0.767 -3.650 4.404 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.294 -4.727 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.985 -5.579 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.279 -4.626 6.886 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.134 -7.173 8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.993 -5.831 8.527 1.00 0.00 H new ATOM 705 N TRP A 48 -2.827 -2.502 7.026 1.00 0.00 N ATOM 706 CA TRP A 48 -3.577 -1.666 7.963 1.00 0.00 C ATOM 707 C TRP A 48 -4.377 -0.600 7.223 1.00 0.00 C ATOM 708 O TRP A 48 -5.444 -0.189 7.678 1.00 0.00 O ATOM 709 CB TRP A 48 -2.652 -1.024 9.020 1.00 0.00 C ATOM 710 CG TRP A 48 -1.773 0.087 8.510 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.465 -0.012 8.140 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.136 1.468 8.328 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.003 1.211 7.724 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.004 2.133 7.831 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.312 2.202 8.527 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.012 3.492 7.529 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.316 3.552 8.228 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.173 4.184 7.732 1.00 0.00 C ATOM 0 H TRP A 48 -1.813 -2.400 7.075 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.277 -2.314 8.490 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.268 -0.636 9.831 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.018 -1.802 9.446 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.119 -0.920 8.170 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.948 1.401 7.390 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.201 1.722 8.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.130 3.983 7.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.217 4.127 8.380 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.207 5.239 7.505 1.00 0.00 H new ATOM 729 N TYR A 49 -3.861 -0.177 6.074 1.00 0.00 N ATOM 730 CA TYR A 49 -4.504 0.846 5.258 1.00 0.00 C ATOM 731 C TYR A 49 -5.917 0.421 4.873 1.00 0.00 C ATOM 732 O TYR A 49 -6.867 1.196 4.982 1.00 0.00 O ATOM 733 CB TYR A 49 -3.661 1.103 4.004 1.00 0.00 C ATOM 734 CG TYR A 49 -4.197 2.194 3.098 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.632 3.408 3.614 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.264 2.005 1.724 1.00 0.00 C ATOM 737 CE1 TYR A 49 -5.117 4.401 2.785 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.746 2.993 0.890 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.173 4.190 1.426 1.00 0.00 C ATOM 740 OH TYR A 49 -5.656 5.182 0.601 1.00 0.00 O ATOM 0 H TYR A 49 -2.988 -0.532 5.683 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.577 1.767 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.649 1.367 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.590 0.177 3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.590 3.578 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.933 1.068 1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.451 5.340 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.789 2.830 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.955 5.849 0.447 1.00 0.00 H new ATOM 750 N LEU A 50 -6.049 -0.823 4.443 1.00 0.00 N ATOM 751 CA LEU A 50 -7.337 -1.359 4.036 1.00 0.00 C ATOM 752 C LEU A 50 -8.239 -1.566 5.242 1.00 0.00 C ATOM 753 O LEU A 50 -9.417 -1.243 5.195 1.00 0.00 O ATOM 754 CB LEU A 50 -7.149 -2.679 3.304 1.00 0.00 C ATOM 755 CG LEU A 50 -5.924 -2.731 2.398 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.365 -4.139 2.366 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.263 -2.243 0.995 1.00 0.00 C ATOM 0 H LEU A 50 -5.275 -1.483 4.367 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.808 -0.640 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.076 -3.480 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.037 -2.877 2.704 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.162 -2.064 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.490 -4.168 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.079 -4.440 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.123 -4.823 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.372 -2.290 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.041 -2.876 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.618 -1.214 1.044 1.00 0.00 H new ATOM 769 N LYS A 51 -7.680 -2.094 6.322 1.00 0.00 N ATOM 770 CA LYS A 51 -8.449 -2.338 7.540 1.00 0.00 C ATOM 771 C LYS A 51 -9.065 -1.052 8.077 1.00 0.00 C ATOM 772 O LYS A 51 -10.156 -1.067 8.647 1.00 0.00 O ATOM 773 CB LYS A 51 -7.563 -2.980 8.606 1.00 0.00 C ATOM 774 CG LYS A 51 -7.726 -4.489 8.708 1.00 0.00 C ATOM 775 CD LYS A 51 -7.473 -5.166 7.373 1.00 0.00 C ATOM 776 CE LYS A 51 -7.847 -6.637 7.413 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.283 -6.842 7.753 1.00 0.00 N ATOM 0 H LYS A 51 -6.698 -2.362 6.382 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.261 -3.021 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.520 -2.750 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.791 -2.532 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.034 -4.881 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.733 -4.725 9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.049 -4.665 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.421 -5.064 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.636 -7.091 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.225 -7.149 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.607 -7.748 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.397 -6.855 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.849 -6.067 7.352 1.00 0.00 H new ATOM 791 N GLU A 52 -8.373 0.059 7.868 1.00 0.00 N ATOM 792 CA GLU A 52 -8.846 1.356 8.329 1.00 0.00 C ATOM 793 C GLU A 52 -10.067 1.825 7.545 1.00 0.00 C ATOM 794 O GLU A 52 -10.921 2.536 8.078 1.00 0.00 O ATOM 795 CB GLU A 52 -7.740 2.400 8.195 1.00 0.00 C ATOM 796 CG GLU A 52 -6.641 2.274 9.234 1.00 0.00 C ATOM 797 CD GLU A 52 -7.139 2.513 10.639 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.431 3.678 10.978 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.237 1.538 11.412 1.00 0.00 O ATOM 0 H GLU A 52 -7.478 0.088 7.380 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.129 1.242 9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.298 2.320 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.182 3.394 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.201 1.279 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.848 2.987 9.007 1.00 0.00 H new ATOM 806 N ILE A 53 -10.154 1.424 6.286 1.00 0.00 N ATOM 807 CA ILE A 53 -11.261 1.841 5.436 1.00 0.00 C ATOM 808 C ILE A 53 -12.277 0.722 5.221 1.00 0.00 C ATOM 809 O ILE A 53 -13.356 0.955 4.685 1.00 0.00 O ATOM 810 CB ILE A 53 -10.750 2.334 4.067 1.00 0.00 C ATOM 811 CG1 ILE A 53 -10.050 1.196 3.315 1.00 0.00 C ATOM 812 CG2 ILE A 53 -9.802 3.511 4.257 1.00 0.00 C ATOM 813 CD1 ILE A 53 -9.547 1.589 1.945 1.00 0.00 C ATOM 0 H ILE A 53 -9.475 0.813 5.831 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.759 2.659 5.956 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.602 2.664 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.210 0.841 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.743 0.361 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.446 3.852 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.328 4.324 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.953 3.200 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.064 0.732 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.385 1.916 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.828 2.403 2.041 1.00 0.00 H new ATOM 825 N GLU A 54 -11.943 -0.485 5.664 1.00 0.00 N ATOM 826 CA GLU A 54 -12.824 -1.645 5.494 1.00 0.00 C ATOM 827 C GLU A 54 -14.172 -1.445 6.187 1.00 0.00 C ATOM 828 O GLU A 54 -15.141 -2.148 5.890 1.00 0.00 O ATOM 829 CB GLU A 54 -12.154 -2.914 6.022 1.00 0.00 C ATOM 830 CG GLU A 54 -11.511 -3.762 4.935 1.00 0.00 C ATOM 831 CD GLU A 54 -10.821 -4.991 5.486 1.00 0.00 C ATOM 832 OE1 GLU A 54 -11.323 -5.572 6.473 1.00 0.00 O ATOM 833 OE2 GLU A 54 -9.781 -5.398 4.933 1.00 0.00 O ATOM 0 H GLU A 54 -11.067 -0.691 6.145 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.008 -1.752 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.393 -2.636 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.896 -3.515 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.274 -4.069 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.787 -3.158 4.389 1.00 0.00 H new ATOM 840 N SER A 55 -14.227 -0.492 7.104 1.00 0.00 N ATOM 841 CA SER A 55 -15.453 -0.194 7.826 1.00 0.00 C ATOM 842 C SER A 55 -16.407 0.637 6.963 1.00 0.00 C ATOM 843 O SER A 55 -17.627 0.551 7.109 1.00 0.00 O ATOM 844 CB SER A 55 -15.109 0.554 9.114 1.00 0.00 C ATOM 845 OG SER A 55 -13.748 0.348 9.460 1.00 0.00 O ATOM 0 H SER A 55 -13.432 0.091 7.367 1.00 0.00 H new ATOM 0 HA SER A 55 -15.957 -1.129 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.300 1.619 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.752 0.210 9.924 1.00 0.00 H new ATOM 0 HG SER A 55 -13.543 0.835 10.286 1.00 0.00 H new ATOM 851 N GLU A 56 -15.849 1.421 6.046 1.00 0.00 N ATOM 852 CA GLU A 56 -16.660 2.266 5.180 1.00 0.00 C ATOM 853 C GLU A 56 -16.875 1.609 3.823 1.00 0.00 C ATOM 854 O GLU A 56 -17.785 1.982 3.083 1.00 0.00 O ATOM 855 CB GLU A 56 -16.008 3.641 5.000 1.00 0.00 C ATOM 856 CG GLU A 56 -14.706 3.605 4.216 1.00 0.00 C ATOM 857 CD GLU A 56 -14.049 4.961 4.110 1.00 0.00 C ATOM 858 OE1 GLU A 56 -13.440 5.408 5.103 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.128 5.580 3.029 1.00 0.00 O ATOM 0 H GLU A 56 -14.844 1.488 5.885 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.631 2.398 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.710 4.302 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.818 4.074 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.018 2.909 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.901 3.221 3.214 1.00 0.00 H new ATOM 866 N ILE A 57 -16.033 0.634 3.498 1.00 0.00 N ATOM 867 CA ILE A 57 -16.143 -0.068 2.229 1.00 0.00 C ATOM 868 C ILE A 57 -17.414 -0.901 2.187 1.00 0.00 C ATOM 869 O ILE A 57 -17.573 -1.850 2.955 1.00 0.00 O ATOM 870 CB ILE A 57 -14.933 -0.988 1.967 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.633 -0.182 1.925 1.00 0.00 C ATOM 872 CG2 ILE A 57 -15.121 -1.763 0.674 1.00 0.00 C ATOM 873 CD1 ILE A 57 -13.664 0.998 0.973 1.00 0.00 C ATOM 0 H ILE A 57 -15.270 0.314 4.095 1.00 0.00 H new ATOM 0 HA ILE A 57 -16.171 0.695 1.451 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.865 -1.700 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.411 0.181 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.817 -0.845 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -14.257 -2.406 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -16.021 -2.374 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -15.220 -1.065 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.705 1.515 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.853 0.643 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -14.456 1.685 1.271 1.00 0.00 H new ATOM 885 N ASP A 58 -18.321 -0.528 1.300 1.00 0.00 N ATOM 886 CA ASP A 58 -19.575 -1.251 1.139 1.00 0.00 C ATOM 887 C ASP A 58 -19.569 -1.966 -0.202 1.00 0.00 C ATOM 888 O ASP A 58 -20.390 -2.842 -0.465 1.00 0.00 O ATOM 889 CB ASP A 58 -20.772 -0.296 1.232 1.00 0.00 C ATOM 890 CG ASP A 58 -22.109 -1.008 1.097 1.00 0.00 C ATOM 891 OD1 ASP A 58 -22.326 -2.032 1.783 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.959 -0.543 0.308 1.00 0.00 O ATOM 0 H ASP A 58 -18.214 0.273 0.678 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.671 -1.983 1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.740 0.227 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.688 0.460 0.452 1.00 0.00 H new ATOM 897 N SER A 59 -18.616 -1.593 -1.042 1.00 0.00 N ATOM 898 CA SER A 59 -18.477 -2.181 -2.354 1.00 0.00 C ATOM 899 C SER A 59 -17.038 -2.622 -2.568 1.00 0.00 C ATOM 900 O SER A 59 -16.104 -1.845 -2.346 1.00 0.00 O ATOM 901 CB SER A 59 -18.880 -1.170 -3.425 1.00 0.00 C ATOM 902 OG SER A 59 -20.204 -0.700 -3.226 1.00 0.00 O ATOM 0 H SER A 59 -17.922 -0.876 -0.829 1.00 0.00 H new ATOM 0 HA SER A 59 -19.131 -3.050 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.188 -0.328 -3.410 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.801 -1.631 -4.410 1.00 0.00 H new ATOM 0 HG SER A 59 -20.430 -0.054 -3.927 1.00 0.00 H new ATOM 908 N GLU A 60 -16.865 -3.858 -3.009 1.00 0.00 N ATOM 909 CA GLU A 60 -15.540 -4.411 -3.252 1.00 0.00 C ATOM 910 C GLU A 60 -14.763 -3.571 -4.250 1.00 0.00 C ATOM 911 O GLU A 60 -13.538 -3.535 -4.204 1.00 0.00 O ATOM 912 CB GLU A 60 -15.638 -5.850 -3.743 1.00 0.00 C ATOM 913 CG GLU A 60 -15.340 -6.862 -2.655 1.00 0.00 C ATOM 914 CD GLU A 60 -16.133 -6.595 -1.395 1.00 0.00 C ATOM 915 OE1 GLU A 60 -17.318 -6.981 -1.345 1.00 0.00 O ATOM 916 OE2 GLU A 60 -15.577 -5.986 -0.457 1.00 0.00 O ATOM 0 H GLU A 60 -17.631 -4.502 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.001 -4.398 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.639 -6.028 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.942 -5.996 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.567 -7.863 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.275 -6.841 -2.423 1.00 0.00 H new ATOM 923 N GLU A 61 -15.478 -2.891 -5.140 1.00 0.00 N ATOM 924 CA GLU A 61 -14.853 -2.028 -6.137 1.00 0.00 C ATOM 925 C GLU A 61 -13.891 -1.050 -5.470 1.00 0.00 C ATOM 926 O GLU A 61 -12.809 -0.777 -5.986 1.00 0.00 O ATOM 927 CB GLU A 61 -15.917 -1.238 -6.896 1.00 0.00 C ATOM 928 CG GLU A 61 -16.787 -2.083 -7.806 1.00 0.00 C ATOM 929 CD GLU A 61 -17.775 -1.243 -8.591 1.00 0.00 C ATOM 930 OE1 GLU A 61 -18.019 -0.081 -8.202 1.00 0.00 O ATOM 931 OE2 GLU A 61 -18.313 -1.735 -9.603 1.00 0.00 O ATOM 0 H GLU A 61 -16.496 -2.921 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.302 -2.661 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.555 -0.725 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.426 -0.469 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.154 -2.639 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.329 -2.817 -7.210 1.00 0.00 H new ATOM 938 N GLU A 62 -14.297 -0.543 -4.313 1.00 0.00 N ATOM 939 CA GLU A 62 -13.497 0.408 -3.553 1.00 0.00 C ATOM 940 C GLU A 62 -12.294 -0.277 -2.908 1.00 0.00 C ATOM 941 O GLU A 62 -11.157 0.170 -3.070 1.00 0.00 O ATOM 942 CB GLU A 62 -14.356 1.077 -2.479 1.00 0.00 C ATOM 943 CG GLU A 62 -15.445 1.968 -3.044 1.00 0.00 C ATOM 944 CD GLU A 62 -15.243 3.426 -2.694 1.00 0.00 C ATOM 945 OE1 GLU A 62 -14.089 3.903 -2.749 1.00 0.00 O ATOM 946 OE2 GLU A 62 -16.240 4.104 -2.365 1.00 0.00 O ATOM 0 H GLU A 62 -15.188 -0.779 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.127 1.167 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.814 0.306 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.713 1.670 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.473 1.859 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.412 1.638 -2.666 1.00 0.00 H new ATOM 953 N LEU A 63 -12.551 -1.363 -2.184 1.00 0.00 N ATOM 954 CA LEU A 63 -11.490 -2.111 -1.510 1.00 0.00 C ATOM 955 C LEU A 63 -10.461 -2.627 -2.507 1.00 0.00 C ATOM 956 O LEU A 63 -9.253 -2.475 -2.302 1.00 0.00 O ATOM 957 CB LEU A 63 -12.090 -3.268 -0.713 1.00 0.00 C ATOM 958 CG LEU A 63 -11.240 -3.761 0.461 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.835 -2.604 1.362 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.998 -4.813 1.253 1.00 0.00 C ATOM 0 H LEU A 63 -13.486 -1.746 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.979 -1.435 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.063 -2.959 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.264 -4.104 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.331 -4.211 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.232 -2.980 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.254 -1.882 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.728 -2.120 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.383 -5.155 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.922 -4.382 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.234 -5.657 0.605 1.00 0.00 H new ATOM 972 N ILE A 64 -10.942 -3.230 -3.583 1.00 0.00 N ATOM 973 CA ILE A 64 -10.067 -3.752 -4.622 1.00 0.00 C ATOM 974 C ILE A 64 -9.276 -2.617 -5.272 1.00 0.00 C ATOM 975 O ILE A 64 -8.100 -2.780 -5.599 1.00 0.00 O ATOM 976 CB ILE A 64 -10.873 -4.528 -5.688 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.495 -5.771 -5.050 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.991 -4.915 -6.871 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.590 -6.411 -5.878 1.00 0.00 C ATOM 0 H ILE A 64 -11.937 -3.370 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.366 -4.446 -4.158 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.665 -3.883 -6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.710 -6.507 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.902 -5.501 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.585 -5.460 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.583 -4.015 -7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.174 -5.548 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.978 -7.285 -5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.396 -5.694 -6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.185 -6.715 -6.843 1.00 0.00 H new ATOM 991 N ASN A 65 -9.917 -1.462 -5.424 1.00 0.00 N ATOM 992 CA ASN A 65 -9.270 -0.299 -6.019 1.00 0.00 C ATOM 993 C ASN A 65 -8.120 0.174 -5.147 1.00 0.00 C ATOM 994 O ASN A 65 -6.983 0.276 -5.606 1.00 0.00 O ATOM 995 CB ASN A 65 -10.277 0.841 -6.207 1.00 0.00 C ATOM 996 CG ASN A 65 -9.612 2.187 -6.439 1.00 0.00 C ATOM 997 OD1 ASN A 65 -9.250 2.526 -7.565 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.466 2.965 -5.376 1.00 0.00 N ATOM 0 H ASN A 65 -10.885 -1.307 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.880 -0.591 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.924 0.611 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.915 0.904 -5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.039 3.886 -5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.781 2.643 -4.461 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.425 0.441 -3.880 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.427 0.920 -2.935 1.00 0.00 C ATOM 1007 C LYS A 66 -6.266 -0.062 -2.822 1.00 0.00 C ATOM 1008 O LYS A 66 -5.104 0.341 -2.857 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.064 1.157 -1.565 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.865 2.450 -1.485 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.969 3.641 -1.194 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.703 4.963 -1.380 1.00 0.00 C ATOM 1013 NZ LYS A 66 -9.904 5.070 -0.509 1.00 0.00 N ATOM 0 H LYS A 66 -9.359 0.332 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.033 1.866 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.718 0.318 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.281 1.176 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.393 2.611 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.622 2.363 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.596 3.574 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.101 3.612 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.024 5.787 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.003 5.066 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.321 6.017 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.602 4.353 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.629 4.915 0.482 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.590 -1.347 -2.718 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.577 -2.393 -2.610 1.00 0.00 C ATOM 1029 C LYS A 67 -4.697 -2.427 -3.854 1.00 0.00 C ATOM 1030 O LYS A 67 -3.474 -2.507 -3.759 1.00 0.00 O ATOM 1031 CB LYS A 67 -6.250 -3.753 -2.410 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.277 -4.921 -2.321 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.184 -5.475 -0.906 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.536 -5.938 -0.384 1.00 0.00 C ATOM 1035 NZ LYS A 67 -6.410 -6.656 0.913 1.00 0.00 N ATOM 0 H LYS A 67 -7.550 -1.691 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.946 -2.172 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.846 -3.721 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.939 -3.930 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.596 -5.712 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.290 -4.597 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.484 -6.310 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.782 -4.709 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.193 -5.077 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.004 -6.593 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.547 -7.676 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.464 -6.490 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.131 -6.305 1.575 1.00 0.00 H new ATOM 1049 N ARG A 68 -5.331 -2.349 -5.013 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.625 -2.375 -6.286 1.00 0.00 C ATOM 1051 C ARG A 68 -3.686 -1.176 -6.425 1.00 0.00 C ATOM 1052 O ARG A 68 -2.557 -1.318 -6.897 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.637 -2.402 -7.433 1.00 0.00 C ATOM 1054 CG ARG A 68 -5.031 -2.202 -8.812 1.00 0.00 C ATOM 1055 CD ARG A 68 -6.072 -2.381 -9.908 1.00 0.00 C ATOM 1056 NE ARG A 68 -7.358 -1.761 -9.564 1.00 0.00 N ATOM 1057 CZ ARG A 68 -7.658 -0.479 -9.795 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -6.767 0.332 -10.353 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -8.858 -0.009 -9.475 1.00 0.00 N ATOM 0 H ARG A 68 -6.344 -2.266 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.013 -3.276 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.162 -3.357 -7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.383 -1.626 -7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.598 -1.204 -8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.218 -2.913 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.698 -1.946 -10.835 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.222 -3.445 -10.093 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.067 -2.345 -9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.845 -0.022 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.004 1.309 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.551 -0.626 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.086 0.969 -9.652 1.00 0.00 H new ATOM 1073 N ILE A 69 -4.149 -0.008 -5.998 1.00 0.00 N ATOM 1074 CA ILE A 69 -3.352 1.211 -6.091 1.00 0.00 C ATOM 1075 C ILE A 69 -2.162 1.174 -5.137 1.00 0.00 C ATOM 1076 O ILE A 69 -1.025 1.396 -5.553 1.00 0.00 O ATOM 1077 CB ILE A 69 -4.198 2.475 -5.804 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -5.357 2.589 -6.798 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -3.329 3.730 -5.849 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.920 2.699 -8.241 1.00 0.00 C ATOM 0 H ILE A 69 -5.072 0.122 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.985 1.261 -7.116 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.614 2.383 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.002 1.717 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.957 3.463 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.944 4.606 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.543 3.655 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.879 3.826 -6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.798 2.776 -8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.300 3.587 -8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.346 1.814 -8.516 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.414 0.876 -3.868 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.342 0.832 -2.879 1.00 0.00 C ATOM 1094 C ILE A 70 -0.308 -0.239 -3.242 1.00 0.00 C ATOM 1095 O ILE A 70 0.896 -0.007 -3.132 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.888 0.614 -1.446 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.753 0.614 -0.423 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.686 -0.671 -1.352 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.089 1.962 -0.256 1.00 0.00 C ATOM 0 H ILE A 70 -3.342 0.663 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.847 1.803 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.556 1.445 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.144 0.289 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.003 -0.116 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.056 -0.796 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.529 -0.627 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.048 -1.515 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.707 1.886 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.332 2.281 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.827 2.692 0.077 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.780 -1.396 -3.703 1.00 0.00 N ATOM 1112 CA GLU A 71 0.108 -2.481 -4.108 1.00 0.00 C ATOM 1113 C GLU A 71 1.000 -2.010 -5.253 1.00 0.00 C ATOM 1114 O GLU A 71 2.209 -2.259 -5.265 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.709 -3.701 -4.546 1.00 0.00 C ATOM 1116 CG GLU A 71 0.133 -4.911 -4.922 1.00 0.00 C ATOM 1117 CD GLU A 71 -0.529 -5.776 -5.976 1.00 0.00 C ATOM 1118 OE1 GLU A 71 -1.449 -6.545 -5.629 1.00 0.00 O ATOM 1119 OE2 GLU A 71 -0.130 -5.690 -7.160 1.00 0.00 O ATOM 0 H GLU A 71 -1.773 -1.605 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 71 0.731 -2.767 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.386 -3.980 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.328 -3.423 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.102 -4.575 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.320 -5.510 -4.031 1.00 0.00 H new ATOM 1126 N LYS A 72 0.385 -1.304 -6.198 1.00 0.00 N ATOM 1127 CA LYS A 72 1.092 -0.767 -7.354 1.00 0.00 C ATOM 1128 C LYS A 72 2.132 0.261 -6.917 1.00 0.00 C ATOM 1129 O LYS A 72 3.255 0.275 -7.422 1.00 0.00 O ATOM 1130 CB LYS A 72 0.095 -0.132 -8.326 1.00 0.00 C ATOM 1131 CG LYS A 72 0.742 0.629 -9.471 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.290 1.065 -10.494 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.787 -0.114 -11.316 1.00 0.00 C ATOM 1134 NZ LYS A 72 0.237 -0.581 -12.291 1.00 0.00 N ATOM 0 H LYS A 72 -0.612 -1.090 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 72 1.608 -1.584 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.542 -0.914 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.553 0.548 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.263 1.503 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.491 -0.000 -9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.131 1.537 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.145 1.814 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.055 -0.934 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.693 0.172 -11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.197 -1.255 -12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.610 0.233 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.014 -1.048 -11.781 1.00 0.00 H new ATOM 1148 N VAL A 73 1.755 1.111 -5.966 1.00 0.00 N ATOM 1149 CA VAL A 73 2.660 2.132 -5.456 1.00 0.00 C ATOM 1150 C VAL A 73 3.852 1.481 -4.758 1.00 0.00 C ATOM 1151 O VAL A 73 4.991 1.910 -4.935 1.00 0.00 O ATOM 1152 CB VAL A 73 1.942 3.107 -4.499 1.00 0.00 C ATOM 1153 CG1 VAL A 73 2.931 4.076 -3.863 1.00 0.00 C ATOM 1154 CG2 VAL A 73 0.864 3.872 -5.250 1.00 0.00 C ATOM 0 H VAL A 73 0.831 1.112 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 73 3.018 2.712 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 73 1.478 2.526 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.399 4.752 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.676 3.516 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.427 4.654 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.362 4.558 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.319 4.437 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.137 3.170 -5.658 1.00 0.00 H new ATOM 1164 N ILE A 74 3.592 0.424 -3.993 1.00 0.00 N ATOM 1165 CA ILE A 74 4.657 -0.294 -3.304 1.00 0.00 C ATOM 1166 C ILE A 74 5.594 -0.921 -4.334 1.00 0.00 C ATOM 1167 O ILE A 74 6.817 -0.927 -4.166 1.00 0.00 O ATOM 1168 CB ILE A 74 4.099 -1.385 -2.360 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.323 -0.734 -1.214 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.226 -2.256 -1.811 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.589 -1.723 -0.338 1.00 0.00 C ATOM 0 H ILE A 74 2.657 0.048 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 74 5.204 0.420 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 74 3.424 -2.024 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.015 -0.160 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.605 -0.027 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.809 -3.016 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.747 -2.740 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.927 -1.635 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.062 -1.188 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.871 -2.280 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.304 -2.415 0.107 1.00 0.00 H new ATOM 1183 N HIS A 75 5.009 -1.431 -5.415 1.00 0.00 N ATOM 1184 CA HIS A 75 5.775 -2.028 -6.503 1.00 0.00 C ATOM 1185 C HIS A 75 6.645 -0.958 -7.167 1.00 0.00 C ATOM 1186 O HIS A 75 7.770 -1.225 -7.595 1.00 0.00 O ATOM 1187 CB HIS A 75 4.824 -2.673 -7.527 1.00 0.00 C ATOM 1188 CG HIS A 75 5.480 -3.083 -8.812 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.480 -4.027 -8.880 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.280 -2.657 -10.082 1.00 0.00 C ATOM 1191 CE1 HIS A 75 6.866 -4.166 -10.134 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.155 -3.348 -10.881 1.00 0.00 N ATOM 0 H HIS A 75 3.999 -1.442 -5.560 1.00 0.00 H new ATOM 0 HA HIS A 75 6.425 -2.807 -6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.362 -3.550 -7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.021 -1.971 -7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.566 -1.914 -10.405 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.635 -4.837 -10.488 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.241 -3.245 -11.892 1.00 0.00 H new ATOM 1201 N ARG A 76 6.108 0.250 -7.242 1.00 0.00 N ATOM 1202 CA ARG A 76 6.812 1.380 -7.832 1.00 0.00 C ATOM 1203 C ARG A 76 7.937 1.850 -6.913 1.00 0.00 C ATOM 1204 O ARG A 76 9.070 2.050 -7.348 1.00 0.00 O ATOM 1205 CB ARG A 76 5.832 2.524 -8.090 1.00 0.00 C ATOM 1206 CG ARG A 76 6.479 3.765 -8.684 1.00 0.00 C ATOM 1207 CD ARG A 76 5.450 4.847 -8.962 1.00 0.00 C ATOM 1208 NE ARG A 76 4.399 4.375 -9.863 1.00 0.00 N ATOM 1209 CZ ARG A 76 3.119 4.257 -9.516 1.00 0.00 C ATOM 1210 NH1 ARG A 76 2.716 4.635 -8.311 1.00 0.00 N ATOM 1211 NH2 ARG A 76 2.239 3.782 -10.384 1.00 0.00 N ATOM 0 H ARG A 76 5.175 0.475 -6.897 1.00 0.00 H new ATOM 0 HA ARG A 76 7.250 1.063 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.050 2.175 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.347 2.793 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.235 4.147 -7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.992 3.502 -9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.004 5.175 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.943 5.714 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 76 4.663 4.121 -10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.387 5.018 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.734 4.543 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.542 3.507 -11.318 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.258 3.692 -10.118 1.00 0.00 H new ATOM 1225 N LEU A 77 7.606 2.001 -5.639 1.00 0.00 N ATOM 1226 CA LEU A 77 8.551 2.448 -4.624 1.00 0.00 C ATOM 1227 C LEU A 77 9.770 1.526 -4.547 1.00 0.00 C ATOM 1228 O LEU A 77 10.894 1.984 -4.339 1.00 0.00 O ATOM 1229 CB LEU A 77 7.825 2.519 -3.268 1.00 0.00 C ATOM 1230 CG LEU A 77 8.633 2.098 -2.033 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.616 3.181 -1.640 1.00 0.00 C ATOM 1232 CD2 LEU A 77 7.700 1.793 -0.871 1.00 0.00 C ATOM 0 H LEU A 77 6.670 1.816 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 77 8.922 3.437 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.482 3.543 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.936 1.891 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 77 9.193 1.197 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.178 2.861 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.305 3.364 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.074 4.098 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.287 1.496 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.118 2.682 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.026 0.982 -1.148 1.00 0.00 H new ATOM 1244 N THR A 78 9.548 0.236 -4.745 1.00 0.00 N ATOM 1245 CA THR A 78 10.627 -0.742 -4.672 1.00 0.00 C ATOM 1246 C THR A 78 11.408 -0.864 -5.982 1.00 0.00 C ATOM 1247 O THR A 78 12.516 -1.397 -5.996 1.00 0.00 O ATOM 1248 CB THR A 78 10.081 -2.131 -4.295 1.00 0.00 C ATOM 1249 OG1 THR A 78 8.881 -2.403 -5.033 1.00 0.00 O ATOM 1250 CG2 THR A 78 9.792 -2.220 -2.805 1.00 0.00 C ATOM 0 H THR A 78 8.632 -0.160 -4.957 1.00 0.00 H new ATOM 0 HA THR A 78 11.308 -0.379 -3.902 1.00 0.00 H new ATOM 0 HB THR A 78 10.841 -2.871 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.108 -2.054 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.408 -3.212 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.710 -2.043 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.051 -1.469 -2.533 1.00 0.00 H new ATOM 1258 N HIS A 79 10.857 -0.353 -7.076 1.00 0.00 N ATOM 1259 CA HIS A 79 11.522 -0.480 -8.369 1.00 0.00 C ATOM 1260 C HIS A 79 11.751 0.864 -9.050 1.00 0.00 C ATOM 1261 O HIS A 79 12.880 1.346 -9.106 1.00 0.00 O ATOM 1262 CB HIS A 79 10.712 -1.396 -9.285 1.00 0.00 C ATOM 1263 CG HIS A 79 10.767 -2.839 -8.882 1.00 0.00 C ATOM 1264 ND1 HIS A 79 10.022 -3.364 -7.843 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.490 -3.869 -9.377 1.00 0.00 C ATOM 1266 CE1 HIS A 79 10.291 -4.650 -7.720 1.00 0.00 C ATOM 1267 NE2 HIS A 79 11.176 -4.981 -8.637 1.00 0.00 N ATOM 0 H HIS A 79 9.967 0.145 -7.097 1.00 0.00 H new ATOM 0 HA HIS A 79 12.504 -0.914 -8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.673 -1.067 -9.289 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.082 -1.297 -10.305 1.00 0.00 H new ATOM 0 HD1 HIS A 79 9.367 -2.840 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.186 -3.825 -10.202 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.858 -5.318 -6.990 1.00 0.00 H new ATOM 1276 N TYR A 80 10.673 1.450 -9.567 1.00 0.00 N ATOM 1277 CA TYR A 80 10.736 2.731 -10.273 1.00 0.00 C ATOM 1278 C TYR A 80 11.474 3.783 -9.457 1.00 0.00 C ATOM 1279 O TYR A 80 12.551 4.242 -9.841 1.00 0.00 O ATOM 1280 CB TYR A 80 9.330 3.237 -10.596 1.00 0.00 C ATOM 1281 CG TYR A 80 8.509 2.299 -11.456 1.00 0.00 C ATOM 1282 CD1 TYR A 80 7.914 1.169 -10.912 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.318 2.552 -12.806 1.00 0.00 C ATOM 1284 CE1 TYR A 80 7.155 0.319 -11.687 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.557 1.707 -13.589 1.00 0.00 C ATOM 1286 CZ TYR A 80 6.978 0.593 -13.025 1.00 0.00 C ATOM 1287 OH TYR A 80 6.214 -0.249 -13.798 1.00 0.00 O ATOM 0 H TYR A 80 9.735 1.054 -9.510 1.00 0.00 H new ATOM 0 HA TYR A 80 11.285 2.562 -11.200 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.797 3.414 -9.662 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.411 4.198 -11.103 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.048 0.952 -9.863 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.772 3.424 -13.252 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.702 -0.557 -11.248 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.417 1.919 -14.639 1.00 0.00 H new ATOM 0 HH TYR A 80 6.188 0.086 -14.719 1.00 0.00 H new ATOM 1297 N ASP A 81 10.889 4.154 -8.330 1.00 0.00 N ATOM 1298 CA ASP A 81 11.488 5.149 -7.452 1.00 0.00 C ATOM 1299 C ASP A 81 12.723 4.574 -6.789 1.00 0.00 C ATOM 1300 O ASP A 81 13.765 5.222 -6.728 1.00 0.00 O ATOM 1301 CB ASP A 81 10.488 5.599 -6.386 1.00 0.00 C ATOM 1302 CG ASP A 81 9.295 6.315 -6.979 1.00 0.00 C ATOM 1303 OD1 ASP A 81 9.493 7.336 -7.669 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.157 5.856 -6.764 1.00 0.00 O ATOM 0 H ASP A 81 9.999 3.781 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 81 11.770 6.015 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.144 4.730 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.989 6.259 -5.678 1.00 0.00 H new ATOM 1309 N HIS A 82 12.588 3.345 -6.296 1.00 0.00 N ATOM 1310 CA HIS A 82 13.679 2.635 -5.627 1.00 0.00 C ATOM 1311 C HIS A 82 14.227 3.463 -4.464 1.00 0.00 C ATOM 1312 O HIS A 82 15.423 3.447 -4.183 1.00 0.00 O ATOM 1313 CB HIS A 82 14.798 2.293 -6.624 1.00 0.00 C ATOM 1314 CG HIS A 82 15.525 1.019 -6.303 1.00 0.00 C ATOM 1315 ND1 HIS A 82 15.391 -0.135 -7.047 1.00 0.00 N ATOM 1316 CD2 HIS A 82 16.394 0.716 -5.309 1.00 0.00 C ATOM 1317 CE1 HIS A 82 16.139 -1.085 -6.523 1.00 0.00 C ATOM 1318 NE2 HIS A 82 16.759 -0.597 -5.468 1.00 0.00 N ATOM 0 H HIS A 82 11.720 2.812 -6.348 1.00 0.00 H new ATOM 0 HA HIS A 82 13.283 1.702 -5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.370 2.215 -7.624 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.515 3.114 -6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.737 1.385 -4.534 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.229 -2.095 -6.896 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.404 -1.111 -4.868 1.00 0.00 H new ATOM 1327 N VAL A 83 13.332 4.173 -3.784 1.00 0.00 N ATOM 1328 CA VAL A 83 13.713 5.008 -2.649 1.00 0.00 C ATOM 1329 C VAL A 83 13.652 4.211 -1.349 1.00 0.00 C ATOM 1330 O VAL A 83 13.669 4.772 -0.252 1.00 0.00 O ATOM 1331 CB VAL A 83 12.817 6.264 -2.531 1.00 0.00 C ATOM 1332 CG1 VAL A 83 13.091 7.233 -3.667 1.00 0.00 C ATOM 1333 CG2 VAL A 83 11.347 5.889 -2.516 1.00 0.00 C ATOM 0 H VAL A 83 12.335 4.187 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 83 14.737 5.337 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 83 13.060 6.751 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.449 8.108 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 83 14.135 7.544 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.886 6.744 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.742 6.792 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.095 5.368 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.146 5.238 -1.665 1.00 0.00 H new ATOM 1343 N LEU A 84 13.578 2.897 -1.484 1.00 0.00 N ATOM 1344 CA LEU A 84 13.521 2.019 -0.334 1.00 0.00 C ATOM 1345 C LEU A 84 14.932 1.600 0.070 1.00 0.00 C ATOM 1346 O LEU A 84 15.680 1.037 -0.737 1.00 0.00 O ATOM 1347 CB LEU A 84 12.675 0.789 -0.658 1.00 0.00 C ATOM 1348 CG LEU A 84 12.168 0.010 0.553 1.00 0.00 C ATOM 1349 CD1 LEU A 84 11.161 0.836 1.337 1.00 0.00 C ATOM 1350 CD2 LEU A 84 11.549 -1.305 0.115 1.00 0.00 C ATOM 0 H LEU A 84 13.556 2.417 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 84 13.061 2.551 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.817 1.104 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.264 0.117 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 84 13.016 -0.205 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.811 0.264 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.634 1.755 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.314 1.082 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.192 -1.849 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.713 -1.108 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.297 -1.904 -0.404 1.00 0.00 H new ATOM 1362 N ILE A 85 15.283 1.888 1.313 1.00 0.00 N ATOM 1363 CA ILE A 85 16.595 1.568 1.854 1.00 0.00 C ATOM 1364 C ILE A 85 16.583 0.183 2.495 1.00 0.00 C ATOM 1365 O ILE A 85 15.667 -0.156 3.245 1.00 0.00 O ATOM 1366 CB ILE A 85 17.026 2.612 2.911 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.724 4.026 2.414 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.504 2.468 3.237 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.259 4.965 3.507 1.00 0.00 C ATOM 0 H ILE A 85 14.664 2.352 1.978 1.00 0.00 H new ATOM 0 HA ILE A 85 17.307 1.582 1.029 1.00 0.00 H new ATOM 0 HB ILE A 85 16.456 2.434 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.620 4.438 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.958 3.975 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.786 3.212 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.694 1.469 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 85 19.093 2.620 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.063 5.950 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.346 4.576 3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.033 5.047 4.270 1.00 0.00 H new ATOM 1381 N GLU A 86 17.579 -0.620 2.165 1.00 0.00 N ATOM 1382 CA GLU A 86 17.689 -1.962 2.711 1.00 0.00 C ATOM 1383 C GLU A 86 19.154 -2.347 2.880 1.00 0.00 C ATOM 1384 O GLU A 86 19.994 -1.984 2.052 1.00 0.00 O ATOM 1385 CB GLU A 86 16.982 -2.963 1.797 1.00 0.00 C ATOM 1386 CG GLU A 86 17.345 -2.799 0.327 1.00 0.00 C ATOM 1387 CD GLU A 86 16.636 -3.785 -0.576 1.00 0.00 C ATOM 1388 OE1 GLU A 86 17.032 -4.966 -0.597 1.00 0.00 O ATOM 1389 OE2 GLU A 86 15.696 -3.381 -1.296 1.00 0.00 O ATOM 0 H GLU A 86 18.326 -0.365 1.519 1.00 0.00 H new ATOM 0 HA GLU A 86 17.209 -1.980 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.233 -3.975 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.904 -2.851 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.100 -1.785 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.422 -2.919 0.210 1.00 0.00 H new ATOM 1672 N TYR A 107 15.480 -5.144 7.338 1.00 0.00 N ATOM 1673 CA TYR A 107 14.113 -4.786 6.980 1.00 0.00 C ATOM 1674 C TYR A 107 14.080 -3.793 5.832 1.00 0.00 C ATOM 1675 O TYR A 107 15.098 -3.522 5.196 1.00 0.00 O ATOM 1676 CB TYR A 107 13.386 -4.184 8.185 1.00 0.00 C ATOM 1677 CG TYR A 107 13.329 -5.098 9.382 1.00 0.00 C ATOM 1678 CD1 TYR A 107 12.537 -6.237 9.371 1.00 0.00 C ATOM 1679 CD2 TYR A 107 14.066 -4.818 10.523 1.00 0.00 C ATOM 1680 CE1 TYR A 107 12.482 -7.074 10.467 1.00 0.00 C ATOM 1681 CE2 TYR A 107 14.018 -5.649 11.621 1.00 0.00 C ATOM 1682 CZ TYR A 107 13.224 -6.774 11.590 1.00 0.00 C ATOM 1683 OH TYR A 107 13.165 -7.598 12.689 1.00 0.00 O ATOM 0 HA TYR A 107 13.610 -5.700 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 107 13.883 -3.257 8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.370 -3.923 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.955 -6.472 8.492 1.00 0.00 H new ATOM 0 HD2 TYR A 107 14.687 -3.935 10.551 1.00 0.00 H new ATOM 0 HE1 TYR A 107 11.862 -7.958 10.445 1.00 0.00 H new ATOM 0 HE2 TYR A 107 14.600 -5.419 12.501 1.00 0.00 H new ATOM 0 HH TYR A 107 13.748 -7.245 13.394 1.00 0.00 H new ATOM 1693 N LEU A 108 12.901 -3.252 5.577 1.00 0.00 N ATOM 1694 CA LEU A 108 12.716 -2.283 4.513 1.00 0.00 C ATOM 1695 C LEU A 108 12.323 -0.936 5.095 1.00 0.00 C ATOM 1696 O LEU A 108 11.330 -0.828 5.816 1.00 0.00 O ATOM 1697 CB LEU A 108 11.645 -2.759 3.527 1.00 0.00 C ATOM 1698 CG LEU A 108 12.085 -3.855 2.552 1.00 0.00 C ATOM 1699 CD1 LEU A 108 13.515 -3.619 2.095 1.00 0.00 C ATOM 1700 CD2 LEU A 108 11.945 -5.230 3.185 1.00 0.00 C ATOM 0 H LEU A 108 12.052 -3.471 6.098 1.00 0.00 H new ATOM 0 HA LEU A 108 13.659 -2.179 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.790 -3.125 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.300 -1.901 2.950 1.00 0.00 H new ATOM 0 HG LEU A 108 11.433 -3.816 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.811 -4.407 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.582 -2.653 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.179 -3.627 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.263 -5.992 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.568 -5.284 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.904 -5.401 3.458 1.00 0.00 H new ATOM 1712 N VAL A 109 13.106 0.083 4.789 1.00 0.00 N ATOM 1713 CA VAL A 109 12.836 1.423 5.292 1.00 0.00 C ATOM 1714 C VAL A 109 12.752 2.407 4.136 1.00 0.00 C ATOM 1715 O VAL A 109 13.529 2.330 3.193 1.00 0.00 O ATOM 1716 CB VAL A 109 13.912 1.886 6.315 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.292 1.403 5.912 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.916 3.400 6.483 1.00 0.00 C ATOM 0 H VAL A 109 13.933 0.011 4.196 1.00 0.00 H new ATOM 0 HA VAL A 109 11.879 1.394 5.813 1.00 0.00 H new ATOM 0 HB VAL A 109 13.652 1.440 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.024 1.741 6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.298 0.314 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.547 1.806 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.681 3.684 7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.130 3.872 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.940 3.729 6.840 1.00 0.00 H new ATOM 1728 N VAL A 110 11.803 3.323 4.205 1.00 0.00 N ATOM 1729 CA VAL A 110 11.633 4.310 3.156 1.00 0.00 C ATOM 1730 C VAL A 110 12.028 5.697 3.666 1.00 0.00 C ATOM 1731 O VAL A 110 12.011 5.953 4.875 1.00 0.00 O ATOM 1732 CB VAL A 110 10.181 4.310 2.616 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.219 4.949 3.599 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.106 4.999 1.265 1.00 0.00 C ATOM 0 H VAL A 110 11.139 3.403 4.976 1.00 0.00 H new ATOM 0 HA VAL A 110 12.290 4.045 2.328 1.00 0.00 H new ATOM 0 HB VAL A 110 9.880 3.270 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.211 4.931 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.236 4.395 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.518 5.981 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.077 4.986 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.443 6.031 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.744 4.475 0.553 1.00 0.00 H new ATOM 1744 N ASN A 111 12.410 6.567 2.743 1.00 0.00 N ATOM 1745 CA ASN A 111 12.817 7.930 3.068 1.00 0.00 C ATOM 1746 C ASN A 111 11.661 8.712 3.689 1.00 0.00 C ATOM 1747 O ASN A 111 10.498 8.421 3.423 1.00 0.00 O ATOM 1748 CB ASN A 111 13.340 8.673 1.819 1.00 0.00 C ATOM 1749 CG ASN A 111 12.500 8.469 0.561 1.00 0.00 C ATOM 1750 OD1 ASN A 111 11.911 7.414 0.341 1.00 0.00 O ATOM 1751 ND2 ASN A 111 12.455 9.480 -0.290 1.00 0.00 N ATOM 0 H ASN A 111 12.447 6.350 1.747 1.00 0.00 H new ATOM 0 HA ASN A 111 13.627 7.862 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.387 9.739 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.359 8.344 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.921 9.395 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.954 10.345 -0.081 1.00 0.00 H new ATOM 1758 N PRO A 112 11.970 9.715 4.531 1.00 0.00 N ATOM 1759 CA PRO A 112 10.949 10.551 5.188 1.00 0.00 C ATOM 1760 C PRO A 112 10.249 11.500 4.215 1.00 0.00 C ATOM 1761 O PRO A 112 9.527 12.413 4.620 1.00 0.00 O ATOM 1762 CB PRO A 112 11.750 11.344 6.219 1.00 0.00 C ATOM 1763 CG PRO A 112 13.138 11.385 5.679 1.00 0.00 C ATOM 1764 CD PRO A 112 13.337 10.096 4.933 1.00 0.00 C ATOM 0 HA PRO A 112 10.149 9.948 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.346 12.348 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.721 10.863 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.273 12.242 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 112 13.866 11.485 6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.987 10.229 4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.797 9.335 5.563 1.00 0.00 H new ATOM 1772 N ASN A 113 10.476 11.271 2.937 1.00 0.00 N ATOM 1773 CA ASN A 113 9.896 12.057 1.887 1.00 0.00 C ATOM 1774 C ASN A 113 9.488 11.119 0.759 1.00 0.00 C ATOM 1775 O ASN A 113 9.313 9.924 0.975 1.00 0.00 O ATOM 1776 CB ASN A 113 10.893 13.122 1.397 1.00 0.00 C ATOM 1777 CG ASN A 113 12.167 12.530 0.805 1.00 0.00 C ATOM 1778 OD1 ASN A 113 12.252 12.291 -0.400 1.00 0.00 O ATOM 1779 ND2 ASN A 113 13.173 12.303 1.641 1.00 0.00 N ATOM 0 H ASN A 113 11.079 10.520 2.602 1.00 0.00 H new ATOM 0 HA ASN A 113 9.017 12.586 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.408 13.746 0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.157 13.773 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 113 14.051 11.919 1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.068 12.513 2.634 1.00 0.00 H new ATOM 1786 N TYR A 114 9.387 11.662 -0.431 1.00 0.00 N ATOM 1787 CA TYR A 114 8.984 10.906 -1.615 1.00 0.00 C ATOM 1788 C TYR A 114 8.902 11.850 -2.806 1.00 0.00 C ATOM 1789 O TYR A 114 8.582 13.027 -2.646 1.00 0.00 O ATOM 1790 CB TYR A 114 7.622 10.223 -1.391 1.00 0.00 C ATOM 1791 CG TYR A 114 7.391 8.990 -2.245 1.00 0.00 C ATOM 1792 CD1 TYR A 114 8.053 7.796 -1.981 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.500 9.020 -3.311 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.836 6.672 -2.757 1.00 0.00 C ATOM 1795 CE2 TYR A 114 6.277 7.900 -4.089 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.948 6.729 -3.809 1.00 0.00 C ATOM 1797 OH TYR A 114 6.726 5.609 -4.580 1.00 0.00 O ATOM 0 H TYR A 114 9.581 12.646 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 114 9.725 10.130 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 114 7.538 9.944 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.830 10.944 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 114 8.748 7.746 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.972 9.935 -3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.360 5.753 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 114 5.580 7.942 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 114 7.421 5.542 -5.267 1.00 0.00 H new ATOM 1807 N LEU A 115 9.199 11.349 -3.991 1.00 0.00 N ATOM 1808 CA LEU A 115 9.146 12.170 -5.191 1.00 0.00 C ATOM 1809 C LEU A 115 8.128 11.600 -6.169 1.00 0.00 C ATOM 1810 O LEU A 115 7.580 10.521 -5.945 1.00 0.00 O ATOM 1811 CB LEU A 115 10.533 12.329 -5.865 1.00 0.00 C ATOM 1812 CG LEU A 115 11.505 11.126 -5.827 1.00 0.00 C ATOM 1813 CD1 LEU A 115 12.157 10.975 -4.457 1.00 0.00 C ATOM 1814 CD2 LEU A 115 10.809 9.838 -6.234 1.00 0.00 C ATOM 0 H LEU A 115 9.479 10.381 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 115 8.832 13.169 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.368 12.591 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.034 13.177 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 115 12.293 11.328 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.833 10.120 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.719 11.879 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.386 10.818 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.520 9.013 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.985 9.638 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.422 9.938 -7.248 1.00 0.00 H new ATOM 2020 N LEU B 390 -4.879 -9.114 -2.195 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.269 -8.962 -2.615 1.00 0.00 C ATOM 2022 C LEU B 390 -7.041 -10.276 -2.492 1.00 0.00 C ATOM 2023 O LEU B 390 -8.263 -10.301 -2.633 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.335 -8.445 -4.054 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.697 -7.896 -4.496 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -8.051 -6.630 -3.725 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.699 -7.627 -5.993 1.00 0.00 C ATOM 0 HA LEU B 390 -6.738 -8.236 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.590 -7.659 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.054 -9.256 -4.726 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.455 -8.648 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -9.021 -6.261 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -8.093 -6.853 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -7.292 -5.869 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.672 -7.238 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.927 -6.896 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.499 -8.554 -6.530 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.325 -11.360 -2.215 1.00 0.00 N ATOM 2040 CA GLU B 391 -6.945 -12.673 -2.062 1.00 0.00 C ATOM 2041 C GLU B 391 -7.961 -12.645 -0.925 1.00 0.00 C ATOM 2042 O GLU B 391 -8.977 -13.343 -0.958 1.00 0.00 O ATOM 2043 CB GLU B 391 -5.876 -13.725 -1.785 1.00 0.00 C ATOM 2044 CG GLU B 391 -6.428 -15.135 -1.697 1.00 0.00 C ATOM 2045 CD GLU B 391 -5.404 -16.128 -1.205 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.570 -16.577 -2.015 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -5.435 -16.476 -0.006 1.00 0.00 O ATOM 0 H GLU B 391 -5.313 -11.356 -2.091 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.462 -12.929 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.125 -13.685 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -5.370 -13.482 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -7.288 -15.144 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -6.785 -15.444 -2.679 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.676 -11.818 0.072 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.550 -11.658 1.222 1.00 0.00 C ATOM 2056 C ARG B 392 -9.920 -11.160 0.774 1.00 0.00 C ATOM 2057 O ARG B 392 -10.950 -11.559 1.315 1.00 0.00 O ATOM 2058 CB ARG B 392 -7.928 -10.669 2.205 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.648 -10.600 3.536 1.00 0.00 C ATOM 2060 CD ARG B 392 -7.694 -10.208 4.655 1.00 0.00 C ATOM 2061 NE ARG B 392 -6.387 -10.855 4.501 1.00 0.00 N ATOM 2062 CZ ARG B 392 -5.243 -10.362 4.978 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -5.245 -9.265 5.726 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -4.097 -10.971 4.710 1.00 0.00 N ATOM 0 H ARG B 392 -6.835 -11.242 0.105 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.673 -12.623 1.715 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -6.888 -10.947 2.378 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.921 -9.677 1.754 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -9.461 -9.876 3.476 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.098 -11.567 3.760 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -7.566 -9.126 4.663 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.127 -10.485 5.616 1.00 0.00 H new ATOM 0 HE ARG B 392 -6.350 -11.740 3.996 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -6.125 -8.794 5.939 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -4.367 -8.893 6.088 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -4.090 -11.816 4.139 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -3.222 -10.594 5.074 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.909 -10.301 -0.240 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.130 -9.729 -0.797 1.00 0.00 C ATOM 2080 C ILE B 393 -12.038 -10.823 -1.352 1.00 0.00 C ATOM 2081 O ILE B 393 -13.259 -10.750 -1.235 1.00 0.00 O ATOM 2082 CB ILE B 393 -10.809 -8.685 -1.904 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.793 -7.277 -1.306 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -11.803 -8.757 -3.060 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.718 -7.075 -0.262 1.00 0.00 C ATOM 0 H ILE B 393 -9.055 -9.982 -0.698 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.653 -9.219 0.012 1.00 0.00 H new ATOM 0 HB ILE B 393 -9.823 -8.920 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.650 -6.552 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -11.765 -7.070 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.542 -8.011 -3.811 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -11.769 -9.750 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -12.809 -8.561 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.767 -6.054 0.118 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.872 -7.775 0.559 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -8.739 -7.250 -0.709 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.431 -11.856 -1.921 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.188 -12.958 -2.500 1.00 0.00 C ATOM 2099 C ARG B 394 -12.879 -13.762 -1.405 1.00 0.00 C ATOM 2100 O ARG B 394 -13.941 -14.341 -1.623 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.279 -13.871 -3.330 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.152 -13.142 -4.048 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.669 -12.105 -5.040 1.00 0.00 C ATOM 2104 NE ARG B 394 -11.776 -12.611 -5.857 1.00 0.00 N ATOM 2105 CZ ARG B 394 -11.836 -12.504 -7.185 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -10.818 -11.982 -7.864 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -12.914 -12.929 -7.836 1.00 0.00 N ATOM 0 H ARG B 394 -10.418 -11.954 -1.994 1.00 0.00 H new ATOM 0 HA ARG B 394 -12.946 -12.536 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -10.848 -14.628 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.886 -14.396 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -9.514 -12.651 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -9.532 -13.867 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -10.998 -11.220 -4.496 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -9.853 -11.793 -5.692 1.00 0.00 H new ATOM 0 HE ARG B 394 -12.549 -13.074 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -9.986 -11.661 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -10.870 -11.903 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -13.694 -13.336 -7.320 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -12.961 -12.848 -8.852 1.00 0.00 H new ATOM 2121 N ALA B 395 -12.278 -13.785 -0.225 1.00 0.00 N ATOM 2122 CA ALA B 395 -12.846 -14.512 0.896 1.00 0.00 C ATOM 2123 C ALA B 395 -13.918 -13.678 1.590 1.00 0.00 C ATOM 2124 O ALA B 395 -14.933 -14.205 2.040 1.00 0.00 O ATOM 2125 CB ALA B 395 -11.757 -14.903 1.884 1.00 0.00 C ATOM 0 H ALA B 395 -11.399 -13.309 -0.021 1.00 0.00 H new ATOM 0 HA ALA B 395 -13.311 -15.421 0.514 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -12.201 -15.447 2.718 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -11.024 -15.537 1.385 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -11.265 -14.005 2.257 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.693 -12.367 1.661 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.643 -11.468 2.313 1.00 0.00 C ATOM 2133 C LYS B 396 -15.796 -11.098 1.382 1.00 0.00 C ATOM 2134 O LYS B 396 -16.786 -10.513 1.817 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.937 -10.204 2.832 1.00 0.00 C ATOM 2136 CG LYS B 396 -13.297 -9.347 1.749 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.200 -8.200 1.320 1.00 0.00 C ATOM 2138 CE LYS B 396 -14.406 -7.199 2.447 1.00 0.00 C ATOM 2139 NZ LYS B 396 -15.476 -6.217 2.137 1.00 0.00 N ATOM 0 H LYS B 396 -12.867 -11.906 1.278 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.064 -12.001 3.166 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -14.660 -9.597 3.377 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.168 -10.500 3.545 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -12.352 -8.946 2.115 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -13.066 -9.969 0.884 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.763 -7.695 0.459 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -15.165 -8.595 1.002 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -14.660 -7.733 3.363 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -13.472 -6.669 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -15.124 -5.254 2.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -15.754 -6.310 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -16.301 -6.399 2.744 1.00 0.00 H new