USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 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 47 ASN : amide:sc= 1.9 K(o=2.9,f=-8.4!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0) USER MOD Single : A 15 SER OG : rot 39:sc= 0.568 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0859 USER MOD Single : A 21 SER OG : rot 76:sc= 1.22 USER MOD Single : A 22 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.6!) USER MOD Single : A 27 HIS :FLIP no HD1:sc=-0.000991 F(o=-2!,f=-0.00099) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0183 (180deg=-0.26) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.382 USER MOD Single : A 49 TYR OH : rot 30:sc= -0.143 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0698 F(o=-1.7!,f=-0.07) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -106:sc= -11.6! (180deg=-15.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 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= -0.423 X(o=-0.42,f=-0.2) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -3.28! C(o=-3.3!,f=-4.4!) USER MOD Single : A 113 ASN : amide:sc=-0.00966 X(o=-0.0097,f=-0.026) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : B 396 LYS NZ :NH3+ 169:sc= 0.897 (180deg=0.785) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -7.649 11.503 -9.693 1.00 0.00 N ATOM 140 CA PHE A 14 -7.274 10.318 -8.901 1.00 0.00 C ATOM 141 C PHE A 14 -7.099 10.636 -7.418 1.00 0.00 C ATOM 142 O PHE A 14 -5.996 10.541 -6.874 1.00 0.00 O ATOM 143 CB PHE A 14 -6.019 9.612 -9.456 1.00 0.00 C ATOM 144 CG PHE A 14 -5.060 10.493 -10.209 1.00 0.00 C ATOM 145 CD1 PHE A 14 -4.062 11.185 -9.543 1.00 0.00 C ATOM 146 CD2 PHE A 14 -5.150 10.613 -11.585 1.00 0.00 C ATOM 147 CE1 PHE A 14 -3.179 11.986 -10.236 1.00 0.00 C ATOM 148 CE2 PHE A 14 -4.268 11.412 -12.282 1.00 0.00 C ATOM 149 CZ PHE A 14 -3.281 12.099 -11.607 1.00 0.00 C ATOM 0 HA PHE A 14 -8.112 9.627 -8.993 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.485 9.151 -8.625 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.339 8.806 -10.116 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.975 11.096 -8.470 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.919 10.075 -12.119 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.408 12.525 -9.706 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.350 11.500 -13.355 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.589 12.725 -12.151 1.00 0.00 H new ATOM 159 N SER A 15 -8.201 10.998 -6.771 1.00 0.00 N ATOM 160 CA SER A 15 -8.200 11.333 -5.352 1.00 0.00 C ATOM 161 C SER A 15 -7.711 10.155 -4.510 1.00 0.00 C ATOM 162 O SER A 15 -7.208 10.327 -3.397 1.00 0.00 O ATOM 163 CB SER A 15 -9.611 11.734 -4.928 1.00 0.00 C ATOM 164 OG SER A 15 -10.580 11.134 -5.775 1.00 0.00 O ATOM 0 H SER A 15 -9.117 11.067 -7.214 1.00 0.00 H new ATOM 0 HA SER A 15 -7.517 12.167 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.786 11.431 -3.896 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.712 12.819 -4.963 1.00 0.00 H new ATOM 0 HG SER A 15 -10.306 10.217 -5.987 1.00 0.00 H new ATOM 170 N GLU A 16 -7.884 8.951 -5.044 1.00 0.00 N ATOM 171 CA GLU A 16 -7.450 7.735 -4.375 1.00 0.00 C ATOM 172 C GLU A 16 -5.932 7.725 -4.252 1.00 0.00 C ATOM 173 O GLU A 16 -5.384 7.414 -3.194 1.00 0.00 O ATOM 174 CB GLU A 16 -7.906 6.490 -5.151 1.00 0.00 C ATOM 175 CG GLU A 16 -9.375 6.501 -5.542 1.00 0.00 C ATOM 176 CD GLU A 16 -9.629 7.239 -6.841 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.575 6.603 -7.907 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.878 8.463 -6.793 1.00 0.00 O ATOM 0 H GLU A 16 -8.327 8.793 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.900 7.713 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.302 6.397 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.710 5.606 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.729 5.475 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.955 6.966 -4.745 1.00 0.00 H new ATOM 185 N TYR A 17 -5.265 8.099 -5.338 1.00 0.00 N ATOM 186 CA TYR A 17 -3.810 8.137 -5.379 1.00 0.00 C ATOM 187 C TYR A 17 -3.272 9.080 -4.311 1.00 0.00 C ATOM 188 O TYR A 17 -2.280 8.778 -3.646 1.00 0.00 O ATOM 189 CB TYR A 17 -3.332 8.580 -6.764 1.00 0.00 C ATOM 190 CG TYR A 17 -1.830 8.535 -6.934 1.00 0.00 C ATOM 191 CD1 TYR A 17 -1.174 7.331 -7.160 1.00 0.00 C ATOM 192 CD2 TYR A 17 -1.068 9.695 -6.874 1.00 0.00 C ATOM 193 CE1 TYR A 17 0.196 7.283 -7.316 1.00 0.00 C ATOM 194 CE2 TYR A 17 0.304 9.656 -7.029 1.00 0.00 C ATOM 195 CZ TYR A 17 0.931 8.447 -7.252 1.00 0.00 C ATOM 196 OH TYR A 17 2.299 8.400 -7.404 1.00 0.00 O ATOM 0 H TYR A 17 -5.715 8.382 -6.209 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.431 7.135 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.793 7.942 -7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.679 9.596 -6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.747 6.417 -7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.556 10.643 -6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.690 6.338 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.883 10.566 -6.976 1.00 0.00 H new ATOM 0 HH TYR A 17 2.667 9.305 -7.334 1.00 0.00 H new ATOM 206 N SER A 18 -3.937 10.214 -4.145 1.00 0.00 N ATOM 207 CA SER A 18 -3.540 11.205 -3.157 1.00 0.00 C ATOM 208 C SER A 18 -3.612 10.627 -1.742 1.00 0.00 C ATOM 209 O SER A 18 -2.736 10.882 -0.913 1.00 0.00 O ATOM 210 CB SER A 18 -4.441 12.429 -3.277 1.00 0.00 C ATOM 211 OG SER A 18 -4.962 12.541 -4.590 1.00 0.00 O ATOM 0 H SER A 18 -4.761 10.472 -4.688 1.00 0.00 H new ATOM 0 HA SER A 18 -2.507 11.496 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.259 12.356 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.877 13.328 -3.026 1.00 0.00 H new ATOM 0 HG SER A 18 -5.539 13.331 -4.647 1.00 0.00 H new ATOM 217 N ARG A 19 -4.651 9.840 -1.474 1.00 0.00 N ATOM 218 CA ARG A 19 -4.829 9.226 -0.161 1.00 0.00 C ATOM 219 C ARG A 19 -3.792 8.128 0.057 1.00 0.00 C ATOM 220 O ARG A 19 -3.229 7.997 1.143 1.00 0.00 O ATOM 221 CB ARG A 19 -6.238 8.645 -0.017 1.00 0.00 C ATOM 222 CG ARG A 19 -6.655 8.426 1.432 1.00 0.00 C ATOM 223 CD ARG A 19 -7.816 7.450 1.549 1.00 0.00 C ATOM 224 NE ARG A 19 -8.994 7.902 0.807 1.00 0.00 N ATOM 225 CZ ARG A 19 -10.250 7.603 1.138 1.00 0.00 C ATOM 226 NH1 ARG A 19 -10.508 6.881 2.225 1.00 0.00 N ATOM 227 NH2 ARG A 19 -11.251 8.040 0.383 1.00 0.00 N ATOM 0 H ARG A 19 -5.382 9.613 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.693 10.000 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.951 9.317 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.288 7.695 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.805 8.049 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.937 9.380 1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.507 6.473 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.077 7.323 2.600 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.844 8.484 -0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.742 6.552 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.472 6.657 2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.057 8.602 -0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.214 7.814 0.632 1.00 0.00 H new ATOM 241 N ILE A 20 -3.547 7.339 -0.985 1.00 0.00 N ATOM 242 CA ILE A 20 -2.574 6.254 -0.919 1.00 0.00 C ATOM 243 C ILE A 20 -1.168 6.808 -0.671 1.00 0.00 C ATOM 244 O ILE A 20 -0.453 6.349 0.221 1.00 0.00 O ATOM 245 CB ILE A 20 -2.594 5.404 -2.216 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.527 4.207 -2.053 1.00 0.00 C ATOM 247 CG2 ILE A 20 -1.199 4.925 -2.598 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.896 4.403 -2.665 1.00 0.00 C ATOM 0 H ILE A 20 -4.011 7.432 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.850 5.608 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.962 6.043 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.060 3.332 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.643 3.993 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.255 4.333 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.551 5.786 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.792 4.313 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.497 3.508 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.385 5.257 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.794 4.586 -3.735 1.00 0.00 H new ATOM 260 N SER A 21 -0.793 7.808 -1.458 1.00 0.00 N ATOM 261 CA SER A 21 0.519 8.436 -1.337 1.00 0.00 C ATOM 262 C SER A 21 0.670 9.134 0.012 1.00 0.00 C ATOM 263 O SER A 21 1.752 9.139 0.601 1.00 0.00 O ATOM 264 CB SER A 21 0.726 9.432 -2.474 1.00 0.00 C ATOM 265 OG SER A 21 0.389 8.850 -3.722 1.00 0.00 O ATOM 0 H SER A 21 -1.381 8.204 -2.191 1.00 0.00 H new ATOM 0 HA SER A 21 1.279 7.658 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.114 10.317 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.765 9.761 -2.490 1.00 0.00 H new ATOM 0 HG SER A 21 -0.586 8.805 -3.809 1.00 0.00 H new ATOM 271 N ASN A 22 -0.428 9.701 0.506 1.00 0.00 N ATOM 272 CA ASN A 22 -0.421 10.398 1.787 1.00 0.00 C ATOM 273 C ASN A 22 -0.062 9.436 2.914 1.00 0.00 C ATOM 274 O ASN A 22 0.638 9.798 3.857 1.00 0.00 O ATOM 275 CB ASN A 22 -1.789 11.026 2.056 1.00 0.00 C ATOM 276 CG ASN A 22 -1.694 12.289 2.888 1.00 0.00 C ATOM 277 OD1 ASN A 22 -0.699 13.008 2.841 1.00 0.00 O ATOM 278 ND2 ASN A 22 -2.738 12.572 3.651 1.00 0.00 N ATOM 0 H ASN A 22 -1.334 9.691 0.037 1.00 0.00 H new ATOM 0 HA ASN A 22 0.330 11.187 1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.273 11.256 1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.422 10.303 2.570 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.735 13.413 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.546 11.949 3.662 1.00 0.00 H new ATOM 285 N LEU A 23 -0.531 8.197 2.792 1.00 0.00 N ATOM 286 CA LEU A 23 -0.264 7.165 3.788 1.00 0.00 C ATOM 287 C LEU A 23 1.236 6.919 3.928 1.00 0.00 C ATOM 288 O LEU A 23 1.741 6.705 5.031 1.00 0.00 O ATOM 289 CB LEU A 23 -0.981 5.859 3.399 1.00 0.00 C ATOM 290 CG LEU A 23 -0.257 4.553 3.775 1.00 0.00 C ATOM 291 CD1 LEU A 23 -1.249 3.463 4.110 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.649 4.083 2.645 1.00 0.00 C ATOM 0 H LEU A 23 -1.102 7.883 2.007 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.645 7.509 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.964 5.854 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.143 5.864 2.321 1.00 0.00 H new ATOM 0 HG LEU A 23 0.354 4.762 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.713 2.551 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.864 3.777 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.887 3.273 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.147 3.159 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.052 3.905 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.397 4.848 2.436 1.00 0.00 H new ATOM 304 N ILE A 24 1.940 6.976 2.804 1.00 0.00 N ATOM 305 CA ILE A 24 3.373 6.725 2.778 1.00 0.00 C ATOM 306 C ILE A 24 4.142 7.747 3.600 1.00 0.00 C ATOM 307 O ILE A 24 4.901 7.383 4.497 1.00 0.00 O ATOM 308 CB ILE A 24 3.909 6.698 1.322 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.699 5.311 0.722 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.386 7.083 1.258 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.420 4.217 1.480 1.00 0.00 C ATOM 0 H ILE A 24 1.537 7.196 1.893 1.00 0.00 H new ATOM 0 HA ILE A 24 3.531 5.745 3.228 1.00 0.00 H new ATOM 0 HB ILE A 24 3.352 7.434 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.632 5.088 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.042 5.314 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.725 7.053 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.517 8.090 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.971 6.381 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.229 3.256 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.491 4.418 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.059 4.188 2.508 1.00 0.00 H new ATOM 323 N VAL A 25 3.917 9.020 3.325 1.00 0.00 N ATOM 324 CA VAL A 25 4.622 10.072 4.036 1.00 0.00 C ATOM 325 C VAL A 25 4.137 10.191 5.479 1.00 0.00 C ATOM 326 O VAL A 25 4.940 10.369 6.390 1.00 0.00 O ATOM 327 CB VAL A 25 4.487 11.437 3.323 1.00 0.00 C ATOM 328 CG1 VAL A 25 5.388 11.489 2.099 1.00 0.00 C ATOM 329 CG2 VAL A 25 3.043 11.710 2.931 1.00 0.00 C ATOM 0 H VAL A 25 3.257 9.349 2.620 1.00 0.00 H new ATOM 0 HA VAL A 25 5.675 9.792 4.043 1.00 0.00 H new ATOM 0 HB VAL A 25 4.800 12.214 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.281 12.457 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.425 11.350 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.105 10.698 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.978 12.677 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.695 10.928 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.419 11.721 3.825 1.00 0.00 H new ATOM 339 N LEU A 26 2.829 10.059 5.688 1.00 0.00 N ATOM 340 CA LEU A 26 2.251 10.166 7.025 1.00 0.00 C ATOM 341 C LEU A 26 2.769 9.073 7.945 1.00 0.00 C ATOM 342 O LEU A 26 3.207 9.349 9.061 1.00 0.00 O ATOM 343 CB LEU A 26 0.727 10.095 6.967 1.00 0.00 C ATOM 344 CG LEU A 26 0.031 11.396 6.574 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.441 11.139 6.314 1.00 0.00 C ATOM 346 CD2 LEU A 26 0.206 12.450 7.660 1.00 0.00 C ATOM 0 H LEU A 26 2.150 9.878 4.949 1.00 0.00 H new ATOM 0 HA LEU A 26 2.553 11.133 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.442 9.320 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.356 9.784 7.944 1.00 0.00 H new ATOM 0 HG LEU A 26 0.489 11.773 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.929 12.072 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.547 10.417 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.906 10.742 7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.298 13.369 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.227 12.087 8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.268 12.649 7.806 1.00 0.00 H new ATOM 358 N HIS A 27 2.713 7.832 7.481 1.00 0.00 N ATOM 359 CA HIS A 27 3.180 6.711 8.283 1.00 0.00 C ATOM 360 C HIS A 27 4.687 6.794 8.487 1.00 0.00 C ATOM 361 O HIS A 27 5.183 6.534 9.581 1.00 0.00 O ATOM 362 CB HIS A 27 2.809 5.374 7.636 1.00 0.00 C ATOM 363 CG HIS A 27 3.025 4.190 8.535 1.00 0.00 C ATOM 364 ND1 HIS A 27 3.926 3.179 8.474 1.00 0.00 N flip ATOM 365 CD2 HIS A 27 2.268 3.954 9.662 1.00 0.00 C flip ATOM 366 CE1 HIS A 27 3.692 2.362 9.551 1.00 0.00 C flip ATOM 367 NE2 HIS A 27 2.688 2.850 10.250 1.00 0.00 N flip ATOM 0 H HIS A 27 2.352 7.578 6.561 1.00 0.00 H new ATOM 0 HA HIS A 27 2.687 6.767 9.254 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.762 5.404 7.334 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.399 5.243 6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.457 4.576 10.010 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.242 1.463 9.788 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.301 2.443 11.102 1.00 0.00 H new ATOM 376 N LEU A 28 5.408 7.164 7.431 1.00 0.00 N ATOM 377 CA LEU A 28 6.859 7.283 7.500 1.00 0.00 C ATOM 378 C LEU A 28 7.282 8.320 8.543 1.00 0.00 C ATOM 379 O LEU A 28 8.101 8.027 9.411 1.00 0.00 O ATOM 380 CB LEU A 28 7.423 7.647 6.121 1.00 0.00 C ATOM 381 CG LEU A 28 8.942 7.489 5.950 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.679 8.731 6.437 1.00 0.00 C ATOM 383 CD2 LEU A 28 9.440 6.250 6.679 1.00 0.00 C ATOM 0 H LEU A 28 5.010 7.386 6.519 1.00 0.00 H new ATOM 0 HA LEU A 28 7.265 6.319 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.927 7.028 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.159 8.682 5.904 1.00 0.00 H new ATOM 0 HG LEU A 28 9.149 7.368 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.752 8.593 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.351 9.597 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.462 8.893 7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.518 6.157 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.213 6.337 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.947 5.367 6.274 1.00 0.00 H new ATOM 395 N ARG A 29 6.708 9.516 8.475 1.00 0.00 N ATOM 396 CA ARG A 29 7.053 10.576 9.422 1.00 0.00 C ATOM 397 C ARG A 29 6.605 10.219 10.837 1.00 0.00 C ATOM 398 O ARG A 29 7.227 10.621 11.818 1.00 0.00 O ATOM 399 CB ARG A 29 6.440 11.909 8.988 1.00 0.00 C ATOM 400 CG ARG A 29 4.923 11.928 9.027 1.00 0.00 C ATOM 401 CD ARG A 29 4.364 13.098 8.242 1.00 0.00 C ATOM 402 NE ARG A 29 3.965 14.200 9.109 1.00 0.00 N ATOM 403 CZ ARG A 29 3.625 15.410 8.669 1.00 0.00 C ATOM 404 NH1 ARG A 29 3.652 15.682 7.369 1.00 0.00 N ATOM 405 NH2 ARG A 29 3.272 16.349 9.536 1.00 0.00 N ATOM 0 H ARG A 29 6.007 9.777 7.781 1.00 0.00 H new ATOM 0 HA ARG A 29 8.138 10.678 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.821 12.700 9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.771 12.138 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.535 10.995 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.585 11.987 10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.113 13.449 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.504 12.766 7.660 1.00 0.00 H new ATOM 0 HE ARG A 29 3.945 14.034 10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.934 14.963 6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.391 16.610 7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.262 16.143 10.535 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.011 17.277 9.204 1.00 0.00 H new ATOM 419 N LYS A 30 5.530 9.450 10.929 1.00 0.00 N ATOM 420 CA LYS A 30 4.999 9.032 12.215 1.00 0.00 C ATOM 421 C LYS A 30 5.961 8.068 12.900 1.00 0.00 C ATOM 422 O LYS A 30 6.322 8.246 14.064 1.00 0.00 O ATOM 423 CB LYS A 30 3.636 8.360 12.020 1.00 0.00 C ATOM 424 CG LYS A 30 2.913 8.032 13.316 1.00 0.00 C ATOM 425 CD LYS A 30 2.247 9.260 13.913 1.00 0.00 C ATOM 426 CE LYS A 30 1.237 8.872 14.981 1.00 0.00 C ATOM 427 NZ LYS A 30 1.896 8.363 16.212 1.00 0.00 N ATOM 0 H LYS A 30 5.008 9.103 10.125 1.00 0.00 H new ATOM 0 HA LYS A 30 4.879 9.912 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.004 9.014 11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.775 7.440 11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.162 7.265 13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.621 7.617 14.033 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.004 9.914 14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.749 9.826 13.126 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.622 9.737 15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.567 8.108 14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.194 7.879 16.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.649 7.695 15.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.307 9.159 16.740 1.00 0.00 H new ATOM 441 N VAL A 31 6.403 7.065 12.155 1.00 0.00 N ATOM 442 CA VAL A 31 7.303 6.057 12.690 1.00 0.00 C ATOM 443 C VAL A 31 8.718 6.592 12.905 1.00 0.00 C ATOM 444 O VAL A 31 9.403 6.159 13.825 1.00 0.00 O ATOM 445 CB VAL A 31 7.355 4.798 11.800 1.00 0.00 C ATOM 446 CG1 VAL A 31 5.973 4.177 11.673 1.00 0.00 C ATOM 447 CG2 VAL A 31 7.925 5.108 10.426 1.00 0.00 C ATOM 0 H VAL A 31 6.151 6.929 11.176 1.00 0.00 H new ATOM 0 HA VAL A 31 6.892 5.782 13.661 1.00 0.00 H new ATOM 0 HB VAL A 31 8.020 4.081 12.281 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.029 3.290 11.042 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.608 3.897 12.661 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.290 4.898 11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.946 4.198 9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.300 5.853 9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.938 5.497 10.532 1.00 0.00 H new ATOM 457 N GLU A 32 9.159 7.522 12.067 1.00 0.00 N ATOM 458 CA GLU A 32 10.503 8.079 12.203 1.00 0.00 C ATOM 459 C GLU A 32 10.599 9.029 13.394 1.00 0.00 C ATOM 460 O GLU A 32 11.662 9.170 13.995 1.00 0.00 O ATOM 461 CB GLU A 32 10.930 8.803 10.922 1.00 0.00 C ATOM 462 CG GLU A 32 10.123 10.056 10.619 1.00 0.00 C ATOM 463 CD GLU A 32 10.970 11.309 10.569 1.00 0.00 C ATOM 464 OE1 GLU A 32 11.611 11.552 9.525 1.00 0.00 O ATOM 465 OE2 GLU A 32 10.987 12.061 11.566 1.00 0.00 O ATOM 0 H GLU A 32 8.614 7.904 11.294 1.00 0.00 H new ATOM 0 HA GLU A 32 11.180 7.243 12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.983 9.073 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.841 8.115 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.613 9.931 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.351 10.176 11.379 1.00 0.00 H new ATOM 472 N GLU A 33 9.490 9.667 13.742 1.00 0.00 N ATOM 473 CA GLU A 33 9.485 10.617 14.847 1.00 0.00 C ATOM 474 C GLU A 33 9.186 9.937 16.181 1.00 0.00 C ATOM 475 O GLU A 33 9.846 10.206 17.185 1.00 0.00 O ATOM 476 CB GLU A 33 8.470 11.734 14.587 1.00 0.00 C ATOM 477 CG GLU A 33 8.643 12.941 15.497 1.00 0.00 C ATOM 478 CD GLU A 33 7.695 14.074 15.156 1.00 0.00 C ATOM 479 OE1 GLU A 33 8.007 14.865 14.242 1.00 0.00 O ATOM 480 OE2 GLU A 33 6.633 14.183 15.802 1.00 0.00 O ATOM 0 H GLU A 33 8.589 9.546 13.280 1.00 0.00 H new ATOM 0 HA GLU A 33 10.485 11.047 14.911 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.556 12.057 13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.464 11.335 14.714 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.481 12.637 16.531 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.670 13.299 15.427 1.00 0.00 H new ATOM 487 N GLU A 34 8.197 9.054 16.193 1.00 0.00 N ATOM 488 CA GLU A 34 7.812 8.366 17.419 1.00 0.00 C ATOM 489 C GLU A 34 8.676 7.137 17.678 1.00 0.00 C ATOM 490 O GLU A 34 9.415 7.080 18.660 1.00 0.00 O ATOM 491 CB GLU A 34 6.341 7.961 17.355 1.00 0.00 C ATOM 492 CG GLU A 34 5.392 9.143 17.301 1.00 0.00 C ATOM 493 CD GLU A 34 5.539 10.055 18.501 1.00 0.00 C ATOM 494 OE1 GLU A 34 5.225 9.620 19.625 1.00 0.00 O ATOM 495 OE2 GLU A 34 5.975 11.209 18.328 1.00 0.00 O ATOM 0 H GLU A 34 7.648 8.798 15.372 1.00 0.00 H new ATOM 0 HA GLU A 34 7.965 9.060 18.245 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.182 7.336 16.476 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.101 7.352 18.227 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.576 9.713 16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.366 8.780 17.247 1.00 0.00 H new ATOM 502 N GLU A 35 8.583 6.159 16.788 1.00 0.00 N ATOM 503 CA GLU A 35 9.335 4.916 16.928 1.00 0.00 C ATOM 504 C GLU A 35 10.807 5.102 16.571 1.00 0.00 C ATOM 505 O GLU A 35 11.639 4.245 16.879 1.00 0.00 O ATOM 506 CB GLU A 35 8.713 3.831 16.049 1.00 0.00 C ATOM 507 CG GLU A 35 7.241 3.595 16.335 1.00 0.00 C ATOM 508 CD GLU A 35 6.674 2.440 15.539 1.00 0.00 C ATOM 509 OE1 GLU A 35 7.018 1.279 15.841 1.00 0.00 O ATOM 510 OE2 GLU A 35 5.879 2.684 14.613 1.00 0.00 O ATOM 0 H GLU A 35 7.992 6.201 15.958 1.00 0.00 H new ATOM 0 HA GLU A 35 9.286 4.611 17.973 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.832 4.109 15.002 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.258 2.898 16.195 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.108 3.399 17.399 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.680 4.501 16.105 1.00 0.00 H new ATOM 517 N ASP A 36 11.108 6.221 15.922 1.00 0.00 N ATOM 518 CA ASP A 36 12.469 6.553 15.496 1.00 0.00 C ATOM 519 C ASP A 36 13.023 5.466 14.580 1.00 0.00 C ATOM 520 O ASP A 36 14.223 5.195 14.560 1.00 0.00 O ATOM 521 CB ASP A 36 13.393 6.754 16.698 1.00 0.00 C ATOM 522 CG ASP A 36 14.342 7.920 16.507 1.00 0.00 C ATOM 523 OD1 ASP A 36 15.035 7.980 15.468 1.00 0.00 O ATOM 524 OD2 ASP A 36 14.393 8.795 17.394 1.00 0.00 O ATOM 0 H ASP A 36 10.415 6.928 15.674 1.00 0.00 H new ATOM 0 HA ASP A 36 12.425 7.491 14.943 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.792 6.921 17.592 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.969 5.844 16.867 1.00 0.00 H new ATOM 529 N GLU A 37 12.135 4.859 13.809 1.00 0.00 N ATOM 530 CA GLU A 37 12.501 3.798 12.892 1.00 0.00 C ATOM 531 C GLU A 37 11.675 3.916 11.625 1.00 0.00 C ATOM 532 O GLU A 37 10.488 3.590 11.617 1.00 0.00 O ATOM 533 CB GLU A 37 12.277 2.421 13.524 1.00 0.00 C ATOM 534 CG GLU A 37 13.466 1.905 14.316 1.00 0.00 C ATOM 535 CD GLU A 37 13.314 0.451 14.706 1.00 0.00 C ATOM 536 OE1 GLU A 37 13.502 -0.425 13.836 1.00 0.00 O ATOM 537 OE2 GLU A 37 12.994 0.177 15.881 1.00 0.00 O ATOM 0 H GLU A 37 11.141 5.090 13.803 1.00 0.00 H new ATOM 0 HA GLU A 37 13.560 3.898 12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.409 2.471 14.182 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.039 1.705 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.373 2.026 13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.589 2.508 15.215 1.00 0.00 H new ATOM 544 N SER A 38 12.303 4.390 10.565 1.00 0.00 N ATOM 545 CA SER A 38 11.635 4.554 9.276 1.00 0.00 C ATOM 546 C SER A 38 11.433 3.200 8.582 1.00 0.00 C ATOM 547 O SER A 38 10.952 3.132 7.450 1.00 0.00 O ATOM 548 CB SER A 38 12.449 5.497 8.390 1.00 0.00 C ATOM 549 OG SER A 38 12.747 6.709 9.071 1.00 0.00 O ATOM 0 H SER A 38 13.283 4.672 10.567 1.00 0.00 H new ATOM 0 HA SER A 38 10.650 4.987 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.375 5.008 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.893 5.716 7.479 1.00 0.00 H new ATOM 0 HG SER A 38 13.270 7.294 8.484 1.00 0.00 H new ATOM 555 N ALA A 39 11.808 2.128 9.272 1.00 0.00 N ATOM 556 CA ALA A 39 11.655 0.780 8.747 1.00 0.00 C ATOM 557 C ALA A 39 10.263 0.249 9.051 1.00 0.00 C ATOM 558 O ALA A 39 9.890 0.085 10.214 1.00 0.00 O ATOM 559 CB ALA A 39 12.710 -0.140 9.336 1.00 0.00 C ATOM 0 H ALA A 39 12.223 2.170 10.203 1.00 0.00 H new ATOM 0 HA ALA A 39 11.787 0.812 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.582 -1.145 8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.702 0.231 9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.604 -0.167 10.421 1.00 0.00 H new ATOM 565 N LEU A 40 9.497 -0.011 8.008 1.00 0.00 N ATOM 566 CA LEU A 40 8.143 -0.513 8.164 1.00 0.00 C ATOM 567 C LEU A 40 7.953 -1.792 7.361 1.00 0.00 C ATOM 568 O LEU A 40 8.727 -2.079 6.443 1.00 0.00 O ATOM 569 CB LEU A 40 7.130 0.553 7.731 1.00 0.00 C ATOM 570 CG LEU A 40 7.495 1.331 6.463 1.00 0.00 C ATOM 571 CD1 LEU A 40 6.944 0.642 5.224 1.00 0.00 C ATOM 572 CD2 LEU A 40 6.986 2.761 6.549 1.00 0.00 C ATOM 0 H LEU A 40 9.790 0.118 7.040 1.00 0.00 H new ATOM 0 HA LEU A 40 7.975 -0.743 9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.165 0.071 7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.004 1.263 8.548 1.00 0.00 H new ATOM 0 HG LEU A 40 8.582 1.355 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.217 1.214 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.361 -0.362 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.858 0.579 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.255 3.298 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.902 2.755 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.436 3.256 7.409 1.00 0.00 H new ATOM 584 N LYS A 41 6.930 -2.560 7.709 1.00 0.00 N ATOM 585 CA LYS A 41 6.645 -3.803 7.010 1.00 0.00 C ATOM 586 C LYS A 41 5.704 -3.530 5.845 1.00 0.00 C ATOM 587 O LYS A 41 4.600 -3.029 6.039 1.00 0.00 O ATOM 588 CB LYS A 41 6.036 -4.833 7.966 1.00 0.00 C ATOM 589 CG LYS A 41 5.900 -6.226 7.366 1.00 0.00 C ATOM 590 CD LYS A 41 7.256 -6.871 7.120 1.00 0.00 C ATOM 591 CE LYS A 41 8.000 -7.126 8.424 1.00 0.00 C ATOM 592 NZ LYS A 41 9.334 -7.739 8.193 1.00 0.00 N ATOM 0 H LYS A 41 6.286 -2.344 8.470 1.00 0.00 H new ATOM 0 HA LYS A 41 7.578 -4.214 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.654 -4.893 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.052 -4.486 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.315 -6.855 8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.351 -6.165 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.121 -7.812 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.856 -6.225 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.121 -6.186 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.405 -7.782 9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.807 -7.896 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.218 -8.649 7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.912 -7.102 7.609 1.00 0.00 H new ATOM 606 N ARG A 42 6.154 -3.857 4.640 1.00 0.00 N ATOM 607 CA ARG A 42 5.366 -3.633 3.426 1.00 0.00 C ATOM 608 C ARG A 42 3.989 -4.298 3.503 1.00 0.00 C ATOM 609 O ARG A 42 2.987 -3.718 3.086 1.00 0.00 O ATOM 610 CB ARG A 42 6.134 -4.128 2.188 1.00 0.00 C ATOM 611 CG ARG A 42 6.181 -5.645 2.026 1.00 0.00 C ATOM 612 CD ARG A 42 7.239 -6.281 2.916 1.00 0.00 C ATOM 613 NE ARG A 42 6.953 -7.687 3.188 1.00 0.00 N ATOM 614 CZ ARG A 42 7.878 -8.599 3.479 1.00 0.00 C ATOM 615 NH1 ARG A 42 9.160 -8.256 3.576 1.00 0.00 N ATOM 616 NH2 ARG A 42 7.512 -9.857 3.684 1.00 0.00 N ATOM 0 H ARG A 42 7.066 -4.281 4.473 1.00 0.00 H new ATOM 0 HA ARG A 42 5.203 -2.559 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.677 -3.696 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.155 -3.750 2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.205 -6.066 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.387 -5.892 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.214 -6.196 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.297 -5.734 3.857 1.00 0.00 H new ATOM 0 HE ARG A 42 5.980 -7.990 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.441 -7.287 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.861 -8.962 3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.528 -10.119 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.214 -10.562 3.907 1.00 0.00 H new ATOM 630 N SER A 43 3.945 -5.504 4.049 1.00 0.00 N ATOM 631 CA SER A 43 2.702 -6.245 4.173 1.00 0.00 C ATOM 632 C SER A 43 1.799 -5.620 5.233 1.00 0.00 C ATOM 633 O SER A 43 0.574 -5.634 5.110 1.00 0.00 O ATOM 634 CB SER A 43 3.030 -7.695 4.523 1.00 0.00 C ATOM 635 OG SER A 43 4.437 -7.862 4.667 1.00 0.00 O ATOM 0 H SER A 43 4.763 -5.992 4.415 1.00 0.00 H new ATOM 0 HA SER A 43 2.162 -6.211 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.527 -7.976 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.656 -8.358 3.743 1.00 0.00 H new ATOM 0 HG SER A 43 4.634 -8.795 4.893 1.00 0.00 H new ATOM 641 N GLU A 44 2.419 -5.058 6.262 1.00 0.00 N ATOM 642 CA GLU A 44 1.691 -4.425 7.352 1.00 0.00 C ATOM 643 C GLU A 44 1.154 -3.062 6.927 1.00 0.00 C ATOM 644 O GLU A 44 0.060 -2.666 7.326 1.00 0.00 O ATOM 645 CB GLU A 44 2.598 -4.278 8.573 1.00 0.00 C ATOM 646 CG GLU A 44 1.851 -3.959 9.853 1.00 0.00 C ATOM 647 CD GLU A 44 0.782 -4.981 10.173 1.00 0.00 C ATOM 648 OE1 GLU A 44 1.088 -6.191 10.183 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.373 -4.579 10.422 1.00 0.00 O ATOM 0 H GLU A 44 3.433 -5.028 6.364 1.00 0.00 H new ATOM 0 HA GLU A 44 0.844 -5.059 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.159 -5.202 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.325 -3.489 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.559 -3.909 10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.392 -2.974 9.766 1.00 0.00 H new ATOM 656 N LEU A 45 1.931 -2.360 6.111 1.00 0.00 N ATOM 657 CA LEU A 45 1.550 -1.041 5.614 1.00 0.00 C ATOM 658 C LEU A 45 0.204 -1.105 4.903 1.00 0.00 C ATOM 659 O LEU A 45 -0.697 -0.309 5.172 1.00 0.00 O ATOM 660 CB LEU A 45 2.628 -0.511 4.666 1.00 0.00 C ATOM 661 CG LEU A 45 2.417 0.920 4.171 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.552 1.916 5.314 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.405 1.242 3.062 1.00 0.00 C ATOM 0 H LEU A 45 2.838 -2.685 5.776 1.00 0.00 H new ATOM 0 HA LEU A 45 1.457 -0.361 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.592 -0.564 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.685 -1.172 3.801 1.00 0.00 H new ATOM 0 HG LEU A 45 1.405 1.000 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.398 2.927 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.806 1.696 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.549 1.839 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.245 2.264 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.422 1.142 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.257 0.552 2.231 1.00 0.00 H new ATOM 675 N VAL A 46 0.069 -2.061 3.995 1.00 0.00 N ATOM 676 CA VAL A 46 -1.177 -2.239 3.268 1.00 0.00 C ATOM 677 C VAL A 46 -2.241 -2.796 4.206 1.00 0.00 C ATOM 678 O VAL A 46 -3.418 -2.476 4.087 1.00 0.00 O ATOM 679 CB VAL A 46 -1.015 -3.208 2.076 1.00 0.00 C ATOM 680 CG1 VAL A 46 -2.236 -3.168 1.172 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.242 -2.896 1.287 1.00 0.00 C ATOM 0 H VAL A 46 0.804 -2.722 3.746 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.473 -1.263 2.882 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.922 -4.216 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.096 -3.859 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.119 -3.458 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.369 -2.158 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.331 -3.593 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.187 -1.877 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.112 -2.993 1.936 1.00 0.00 H new ATOM 691 N ASN A 47 -1.793 -3.602 5.165 1.00 0.00 N ATOM 692 CA ASN A 47 -2.678 -4.247 6.130 1.00 0.00 C ATOM 693 C ASN A 47 -3.562 -3.241 6.854 1.00 0.00 C ATOM 694 O ASN A 47 -4.788 -3.296 6.747 1.00 0.00 O ATOM 695 CB ASN A 47 -1.864 -5.036 7.158 1.00 0.00 C ATOM 696 CG ASN A 47 -2.736 -5.888 8.059 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.749 -6.437 7.627 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.357 -5.988 9.320 1.00 0.00 N ATOM 0 H ASN A 47 -0.806 -3.826 5.295 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.322 -4.925 5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.150 -5.675 6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.285 -4.342 7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.911 -6.537 9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.510 -5.517 9.637 1.00 0.00 H new ATOM 705 N TRP A 48 -2.948 -2.303 7.569 1.00 0.00 N ATOM 706 CA TRP A 48 -3.719 -1.314 8.313 1.00 0.00 C ATOM 707 C TRP A 48 -4.472 -0.376 7.374 1.00 0.00 C ATOM 708 O TRP A 48 -5.536 0.125 7.728 1.00 0.00 O ATOM 709 CB TRP A 48 -2.850 -0.535 9.317 1.00 0.00 C ATOM 710 CG TRP A 48 -1.834 0.388 8.715 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.542 0.089 8.411 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.015 1.769 8.382 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.090 1.191 7.891 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.795 2.237 7.861 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.095 2.648 8.462 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.623 3.549 7.433 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -2.925 3.949 8.033 1.00 0.00 C ATOM 718 CH2 TRP A 48 -1.699 4.388 7.522 1.00 0.00 C ATOM 0 H TRP A 48 -1.936 -2.207 7.649 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.459 -1.860 8.897 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.507 0.048 9.963 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.331 -1.252 9.954 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.080 -0.876 8.558 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.060 1.226 7.578 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.046 2.317 8.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.325 3.892 7.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.753 4.640 8.093 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.600 5.411 7.191 1.00 0.00 H new ATOM 729 N TYR A 49 -3.938 -0.152 6.173 1.00 0.00 N ATOM 730 CA TYR A 49 -4.603 0.714 5.205 1.00 0.00 C ATOM 731 C TYR A 49 -5.974 0.142 4.872 1.00 0.00 C ATOM 732 O TYR A 49 -6.980 0.854 4.863 1.00 0.00 O ATOM 733 CB TYR A 49 -3.775 0.852 3.920 1.00 0.00 C ATOM 734 CG TYR A 49 -4.257 1.973 3.011 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.346 3.277 3.487 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.632 1.732 1.687 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.791 4.305 2.679 1.00 0.00 C ATOM 738 CE2 TYR A 49 -5.079 2.758 0.879 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.157 4.040 1.380 1.00 0.00 C ATOM 740 OH TYR A 49 -5.601 5.065 0.573 1.00 0.00 O ATOM 0 H TYR A 49 -3.057 -0.554 5.852 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.710 1.705 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.733 1.031 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.807 -0.090 3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.062 3.490 4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.571 0.729 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.851 5.312 3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.367 2.557 -0.142 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.176 5.904 0.846 1.00 0.00 H new ATOM 750 N LEU A 50 -6.004 -1.162 4.634 1.00 0.00 N ATOM 751 CA LEU A 50 -7.237 -1.855 4.298 1.00 0.00 C ATOM 752 C LEU A 50 -8.144 -1.967 5.507 1.00 0.00 C ATOM 753 O LEU A 50 -9.345 -1.753 5.401 1.00 0.00 O ATOM 754 CB LEU A 50 -6.936 -3.245 3.759 1.00 0.00 C ATOM 755 CG LEU A 50 -5.798 -3.304 2.753 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.429 -4.745 2.467 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.170 -2.564 1.479 1.00 0.00 C ATOM 0 H LEU A 50 -5.181 -1.764 4.668 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.747 -1.273 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.697 -3.901 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.837 -3.641 3.291 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.925 -2.809 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.613 -4.775 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.114 -5.230 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.294 -5.268 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.342 -2.618 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.055 -3.022 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.380 -1.520 1.713 1.00 0.00 H new ATOM 769 N LYS A 51 -7.561 -2.285 6.656 1.00 0.00 N ATOM 770 CA LYS A 51 -8.332 -2.430 7.890 1.00 0.00 C ATOM 771 C LYS A 51 -9.071 -1.138 8.233 1.00 0.00 C ATOM 772 O LYS A 51 -10.110 -1.160 8.893 1.00 0.00 O ATOM 773 CB LYS A 51 -7.417 -2.839 9.048 1.00 0.00 C ATOM 774 CG LYS A 51 -7.385 -4.340 9.301 1.00 0.00 C ATOM 775 CD LYS A 51 -6.865 -5.106 8.093 1.00 0.00 C ATOM 776 CE LYS A 51 -6.967 -6.608 8.288 1.00 0.00 C ATOM 777 NZ LYS A 51 -5.956 -7.121 9.250 1.00 0.00 N ATOM 0 H LYS A 51 -6.560 -2.448 6.762 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.073 -3.214 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.405 -2.493 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.746 -2.333 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.753 -4.550 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.388 -4.688 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.431 -4.816 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.826 -4.833 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.966 -6.859 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.837 -7.107 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.118 -8.135 9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.003 -6.982 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.040 -6.606 10.149 1.00 0.00 H new ATOM 791 N GLU A 52 -8.525 -0.016 7.789 1.00 0.00 N ATOM 792 CA GLU A 52 -9.131 1.282 8.040 1.00 0.00 C ATOM 793 C GLU A 52 -10.193 1.603 6.996 1.00 0.00 C ATOM 794 O GLU A 52 -11.313 1.988 7.331 1.00 0.00 O ATOM 795 CB GLU A 52 -8.068 2.383 8.050 1.00 0.00 C ATOM 796 CG GLU A 52 -7.120 2.312 9.236 1.00 0.00 C ATOM 797 CD GLU A 52 -7.848 2.276 10.563 1.00 0.00 C ATOM 798 OE1 GLU A 52 -8.516 3.276 10.907 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.760 1.249 11.268 1.00 0.00 O ATOM 0 H GLU A 52 -7.659 0.021 7.251 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.607 1.239 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.488 2.323 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.564 3.354 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.496 1.423 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.453 3.174 9.215 1.00 0.00 H new ATOM 806 N ILE A 53 -9.844 1.432 5.726 1.00 0.00 N ATOM 807 CA ILE A 53 -10.767 1.736 4.640 1.00 0.00 C ATOM 808 C ILE A 53 -11.915 0.735 4.571 1.00 0.00 C ATOM 809 O ILE A 53 -13.009 1.083 4.147 1.00 0.00 O ATOM 810 CB ILE A 53 -10.057 1.782 3.266 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.438 0.423 2.937 1.00 0.00 C ATOM 812 CG2 ILE A 53 -9.003 2.879 3.249 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.790 0.357 1.574 1.00 0.00 C ATOM 0 H ILE A 53 -8.933 1.086 5.424 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.169 2.725 4.863 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.797 2.011 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.692 0.182 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.212 -0.342 2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.513 2.898 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.478 3.842 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.262 2.684 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.375 -0.638 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.535 0.565 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.992 1.097 1.514 1.00 0.00 H new ATOM 825 N GLU A 54 -11.682 -0.488 5.030 1.00 0.00 N ATOM 826 CA GLU A 54 -12.700 -1.532 4.975 1.00 0.00 C ATOM 827 C GLU A 54 -13.954 -1.147 5.760 1.00 0.00 C ATOM 828 O GLU A 54 -15.040 -1.665 5.500 1.00 0.00 O ATOM 829 CB GLU A 54 -12.127 -2.863 5.467 1.00 0.00 C ATOM 830 CG GLU A 54 -12.081 -3.021 6.977 1.00 0.00 C ATOM 831 CD GLU A 54 -11.618 -4.402 7.383 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.402 -4.679 7.311 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.468 -5.235 7.758 1.00 0.00 O ATOM 0 H GLU A 54 -10.798 -0.782 5.445 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.000 -1.648 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.723 -3.675 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.117 -2.974 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.410 -2.274 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.071 -2.833 7.393 1.00 0.00 H new ATOM 840 N SER A 55 -13.804 -0.230 6.704 1.00 0.00 N ATOM 841 CA SER A 55 -14.928 0.230 7.501 1.00 0.00 C ATOM 842 C SER A 55 -15.854 1.129 6.672 1.00 0.00 C ATOM 843 O SER A 55 -17.035 1.289 6.996 1.00 0.00 O ATOM 844 CB SER A 55 -14.412 0.982 8.726 1.00 0.00 C ATOM 845 OG SER A 55 -13.316 0.297 9.311 1.00 0.00 O ATOM 0 H SER A 55 -12.913 0.210 6.936 1.00 0.00 H new ATOM 0 HA SER A 55 -15.505 -0.635 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.107 1.988 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.213 1.088 9.458 1.00 0.00 H new ATOM 0 HG SER A 55 -12.999 0.795 10.093 1.00 0.00 H new ATOM 851 N GLU A 56 -15.319 1.713 5.600 1.00 0.00 N ATOM 852 CA GLU A 56 -16.105 2.587 4.735 1.00 0.00 C ATOM 853 C GLU A 56 -16.367 1.926 3.381 1.00 0.00 C ATOM 854 O GLU A 56 -17.255 2.343 2.638 1.00 0.00 O ATOM 855 CB GLU A 56 -15.398 3.936 4.530 1.00 0.00 C ATOM 856 CG GLU A 56 -14.128 3.855 3.695 1.00 0.00 C ATOM 857 CD GLU A 56 -13.821 5.146 2.962 1.00 0.00 C ATOM 858 OE1 GLU A 56 -14.510 5.443 1.959 1.00 0.00 O ATOM 859 OE2 GLU A 56 -12.888 5.864 3.381 1.00 0.00 O ATOM 0 H GLU A 56 -14.348 1.596 5.312 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.061 2.764 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.091 4.627 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.152 4.356 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.289 3.602 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.226 3.046 2.971 1.00 0.00 H new ATOM 866 N ILE A 57 -15.590 0.897 3.068 1.00 0.00 N ATOM 867 CA ILE A 57 -15.737 0.188 1.804 1.00 0.00 C ATOM 868 C ILE A 57 -17.025 -0.624 1.772 1.00 0.00 C ATOM 869 O ILE A 57 -17.144 -1.651 2.443 1.00 0.00 O ATOM 870 CB ILE A 57 -14.549 -0.762 1.523 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.231 0.010 1.418 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.794 -1.566 0.253 1.00 0.00 C ATOM 873 CD1 ILE A 57 -13.265 1.171 0.446 1.00 0.00 C ATOM 0 H ILE A 57 -14.852 0.535 3.672 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.764 0.956 1.031 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.470 -1.451 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.964 0.386 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.443 -0.679 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.947 -2.228 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.701 -2.160 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.909 -0.886 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.292 1.663 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.499 0.803 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -14.028 1.884 0.758 1.00 0.00 H new ATOM 885 N ASP A 58 -17.987 -0.150 1.003 1.00 0.00 N ATOM 886 CA ASP A 58 -19.256 -0.843 0.853 1.00 0.00 C ATOM 887 C ASP A 58 -19.328 -1.453 -0.540 1.00 0.00 C ATOM 888 O ASP A 58 -20.238 -2.210 -0.859 1.00 0.00 O ATOM 889 CB ASP A 58 -20.432 0.112 1.077 1.00 0.00 C ATOM 890 CG ASP A 58 -21.768 -0.607 1.086 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.949 -1.529 1.909 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.648 -0.253 0.274 1.00 0.00 O ATOM 0 H ASP A 58 -17.915 0.716 0.469 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.321 -1.631 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.297 0.634 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.436 0.870 0.293 1.00 0.00 H new ATOM 897 N SER A 59 -18.346 -1.121 -1.362 1.00 0.00 N ATOM 898 CA SER A 59 -18.270 -1.626 -2.713 1.00 0.00 C ATOM 899 C SER A 59 -16.921 -2.303 -2.926 1.00 0.00 C ATOM 900 O SER A 59 -15.879 -1.726 -2.613 1.00 0.00 O ATOM 901 CB SER A 59 -18.464 -0.479 -3.703 1.00 0.00 C ATOM 902 OG SER A 59 -19.729 0.141 -3.525 1.00 0.00 O ATOM 0 H SER A 59 -17.583 -0.494 -1.107 1.00 0.00 H new ATOM 0 HA SER A 59 -19.059 -2.360 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.672 0.258 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.380 -0.856 -4.722 1.00 0.00 H new ATOM 0 HG SER A 59 -19.828 0.873 -4.169 1.00 0.00 H new ATOM 908 N GLU A 60 -16.941 -3.517 -3.458 1.00 0.00 N ATOM 909 CA GLU A 60 -15.717 -4.279 -3.684 1.00 0.00 C ATOM 910 C GLU A 60 -14.743 -3.529 -4.586 1.00 0.00 C ATOM 911 O GLU A 60 -13.529 -3.582 -4.376 1.00 0.00 O ATOM 912 CB GLU A 60 -16.047 -5.637 -4.295 1.00 0.00 C ATOM 913 CG GLU A 60 -15.084 -6.729 -3.872 1.00 0.00 C ATOM 914 CD GLU A 60 -14.973 -6.837 -2.368 1.00 0.00 C ATOM 915 OE1 GLU A 60 -15.836 -7.496 -1.751 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.033 -6.246 -1.787 1.00 0.00 O ATOM 0 H GLU A 60 -17.794 -3.998 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.236 -4.422 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.059 -5.922 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.036 -5.552 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.417 -7.683 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.100 -6.527 -4.294 1.00 0.00 H new ATOM 923 N GLU A 61 -15.273 -2.812 -5.567 1.00 0.00 N ATOM 924 CA GLU A 61 -14.440 -2.058 -6.497 1.00 0.00 C ATOM 925 C GLU A 61 -13.581 -1.039 -5.760 1.00 0.00 C ATOM 926 O GLU A 61 -12.445 -0.780 -6.150 1.00 0.00 O ATOM 927 CB GLU A 61 -15.296 -1.363 -7.551 1.00 0.00 C ATOM 928 CG GLU A 61 -15.714 -2.282 -8.684 1.00 0.00 C ATOM 929 CD GLU A 61 -16.359 -1.530 -9.825 1.00 0.00 C ATOM 930 OE1 GLU A 61 -15.623 -0.967 -10.665 1.00 0.00 O ATOM 931 OE2 GLU A 61 -17.606 -1.488 -9.883 1.00 0.00 O ATOM 0 H GLU A 61 -16.275 -2.736 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.779 -2.765 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.188 -0.956 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.741 -0.520 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.841 -2.819 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.411 -3.029 -8.304 1.00 0.00 H new ATOM 938 N GLU A 62 -14.124 -0.470 -4.693 1.00 0.00 N ATOM 939 CA GLU A 62 -13.398 0.505 -3.891 1.00 0.00 C ATOM 940 C GLU A 62 -12.191 -0.154 -3.243 1.00 0.00 C ATOM 941 O GLU A 62 -11.065 0.343 -3.323 1.00 0.00 O ATOM 942 CB GLU A 62 -14.310 1.064 -2.803 1.00 0.00 C ATOM 943 CG GLU A 62 -15.155 2.234 -3.250 1.00 0.00 C ATOM 944 CD GLU A 62 -14.392 3.540 -3.197 1.00 0.00 C ATOM 945 OE1 GLU A 62 -14.331 4.156 -2.110 1.00 0.00 O ATOM 946 OE2 GLU A 62 -13.838 3.951 -4.236 1.00 0.00 O ATOM 0 H GLU A 62 -15.068 -0.668 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.065 1.316 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.967 0.269 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.699 1.373 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.505 2.060 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.039 2.305 -2.617 1.00 0.00 H new ATOM 953 N LEU A 63 -12.447 -1.293 -2.620 1.00 0.00 N ATOM 954 CA LEU A 63 -11.415 -2.061 -1.938 1.00 0.00 C ATOM 955 C LEU A 63 -10.374 -2.583 -2.917 1.00 0.00 C ATOM 956 O LEU A 63 -9.172 -2.514 -2.647 1.00 0.00 O ATOM 957 CB LEU A 63 -12.054 -3.222 -1.178 1.00 0.00 C ATOM 958 CG LEU A 63 -11.206 -3.818 -0.056 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.731 -2.730 0.897 1.00 0.00 C ATOM 960 CD2 LEU A 63 -12.003 -4.872 0.694 1.00 0.00 C ATOM 0 H LEU A 63 -13.376 -1.712 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.908 -1.401 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.998 -2.880 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.292 -4.013 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.327 -4.289 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.129 -3.177 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.130 -2.004 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.594 -2.229 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.391 -5.292 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.896 -4.416 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.295 -5.665 0.006 1.00 0.00 H new ATOM 972 N ILE A 64 -10.831 -3.116 -4.037 1.00 0.00 N ATOM 973 CA ILE A 64 -9.931 -3.644 -5.049 1.00 0.00 C ATOM 974 C ILE A 64 -9.084 -2.524 -5.644 1.00 0.00 C ATOM 975 O ILE A 64 -7.873 -2.668 -5.780 1.00 0.00 O ATOM 976 CB ILE A 64 -10.708 -4.392 -6.156 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.384 -5.627 -5.556 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.782 -4.791 -7.299 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.414 -6.269 -6.458 1.00 0.00 C ATOM 0 H ILE A 64 -11.821 -3.195 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.267 -4.363 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.469 -3.727 -6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.619 -6.365 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.863 -5.346 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.354 -5.316 -8.064 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.332 -3.897 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.997 -5.446 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.845 -7.137 -5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.202 -5.549 -6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.938 -6.584 -7.387 1.00 0.00 H new ATOM 991 N ASN A 65 -9.717 -1.398 -5.956 1.00 0.00 N ATOM 992 CA ASN A 65 -9.011 -0.251 -6.525 1.00 0.00 C ATOM 993 C ASN A 65 -7.989 0.314 -5.542 1.00 0.00 C ATOM 994 O ASN A 65 -6.823 0.507 -5.888 1.00 0.00 O ATOM 995 CB ASN A 65 -10.003 0.847 -6.924 1.00 0.00 C ATOM 996 CG ASN A 65 -9.339 2.206 -7.055 1.00 0.00 C ATOM 997 OD1 ASN A 65 -9.476 3.030 -6.026 1.00 0.00 O flip ATOM 998 ND2 ASN A 65 -8.721 2.517 -8.074 1.00 0.00 N flip ATOM 0 H ASN A 65 -10.718 -1.253 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.482 -0.598 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.473 0.582 -7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.797 0.904 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.639 1.853 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.291 3.439 -8.148 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.430 0.572 -4.314 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.559 1.120 -3.278 1.00 0.00 C ATOM 1007 C LYS A 66 -6.351 0.219 -3.061 1.00 0.00 C ATOM 1008 O LYS A 66 -5.223 0.695 -2.930 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.330 1.290 -1.968 1.00 0.00 C ATOM 1010 CG LYS A 66 -7.867 2.477 -1.137 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.523 3.775 -1.588 1.00 0.00 C ATOM 1012 CE LYS A 66 -9.981 3.841 -1.157 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.672 5.048 -1.685 1.00 0.00 N ATOM 0 H LYS A 66 -9.390 0.409 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.208 2.098 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.390 1.406 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.228 0.381 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.099 2.298 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.784 2.572 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.980 4.623 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.459 3.859 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.501 2.947 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.036 3.841 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.662 5.049 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.194 5.903 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.644 5.037 -2.725 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.594 -1.085 -3.041 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.532 -2.054 -2.850 1.00 0.00 C ATOM 1029 C LYS A 67 -4.637 -2.115 -4.075 1.00 0.00 C ATOM 1030 O LYS A 67 -3.428 -2.273 -3.954 1.00 0.00 O ATOM 1031 CB LYS A 67 -6.110 -3.432 -2.564 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.402 -4.159 -1.437 1.00 0.00 C ATOM 1033 CD LYS A 67 -6.093 -5.467 -1.091 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.451 -5.255 -0.431 1.00 0.00 C ATOM 1035 NZ LYS A 67 -8.484 -4.811 -1.404 1.00 0.00 N ATOM 0 H LYS A 67 -7.522 -1.493 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.936 -1.737 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.166 -3.330 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.053 -4.037 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.369 -4.358 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.370 -3.520 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.222 -6.057 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.455 -6.045 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.773 -6.184 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.356 -4.512 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.684 -3.801 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.136 -4.961 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.355 -5.361 -1.260 1.00 0.00 H new ATOM 1049 N ARG A 68 -5.239 -2.000 -5.250 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.492 -2.033 -6.496 1.00 0.00 C ATOM 1051 C ARG A 68 -3.476 -0.898 -6.526 1.00 0.00 C ATOM 1052 O ARG A 68 -2.335 -1.086 -6.938 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.449 -1.923 -7.689 1.00 0.00 C ATOM 1054 CG ARG A 68 -4.776 -2.049 -9.043 1.00 0.00 C ATOM 1055 CD ARG A 68 -4.245 -3.455 -9.275 1.00 0.00 C ATOM 1056 NE ARG A 68 -2.809 -3.552 -9.014 1.00 0.00 N ATOM 1057 CZ ARG A 68 -1.866 -3.254 -9.908 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -2.199 -2.890 -11.143 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -0.587 -3.344 -9.575 1.00 0.00 N ATOM 0 H ARG A 68 -6.246 -1.883 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.959 -2.982 -6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.211 -2.698 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.963 -0.963 -7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.487 -1.794 -9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.956 -1.334 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.778 -4.154 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.447 -3.753 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.511 -3.867 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.182 -2.837 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.472 -2.663 -11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.324 -3.641 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.135 -3.116 -10.258 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.893 0.276 -6.065 1.00 0.00 N ATOM 1074 CA ILE A 69 -3.015 1.436 -6.041 1.00 0.00 C ATOM 1075 C ILE A 69 -1.953 1.307 -4.955 1.00 0.00 C ATOM 1076 O ILE A 69 -0.767 1.473 -5.233 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.795 2.751 -5.829 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.881 2.901 -6.895 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.846 3.943 -5.870 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.630 4.211 -6.816 1.00 0.00 C ATOM 0 H ILE A 69 -4.831 0.448 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.532 1.471 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.270 2.719 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.425 2.812 -7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.591 2.080 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.411 4.863 -5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.100 3.842 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.348 3.978 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.384 4.247 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.115 4.295 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.932 5.038 -6.945 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.370 0.990 -3.728 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.429 0.857 -2.618 1.00 0.00 C ATOM 1094 C ILE A 70 -0.392 -0.235 -2.910 1.00 0.00 C ATOM 1095 O ILE A 70 0.792 -0.072 -2.624 1.00 0.00 O ATOM 1096 CB ILE A 70 -2.145 0.580 -1.268 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -1.151 0.658 -0.110 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.845 -0.766 -1.265 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.618 2.052 0.125 1.00 0.00 C ATOM 0 H ILE A 70 -3.345 0.822 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.916 1.814 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.906 1.350 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.635 0.303 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.316 -0.014 -0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.333 -0.920 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.592 -0.789 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.114 -1.557 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.082 2.038 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.106 2.402 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.445 2.724 0.356 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.840 -1.328 -3.514 1.00 0.00 N ATOM 1112 CA GLU A 71 0.036 -2.436 -3.864 1.00 0.00 C ATOM 1113 C GLU A 71 0.961 -2.035 -5.019 1.00 0.00 C ATOM 1114 O GLU A 71 2.139 -2.401 -5.044 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.821 -3.664 -4.217 1.00 0.00 C ATOM 1116 CG GLU A 71 -0.127 -4.720 -5.061 1.00 0.00 C ATOM 1117 CD GLU A 71 -0.752 -4.861 -6.433 1.00 0.00 C ATOM 1118 OE1 GLU A 71 -1.974 -5.116 -6.520 1.00 0.00 O ATOM 1119 OE2 GLU A 71 -0.024 -4.717 -7.435 1.00 0.00 O ATOM 0 H GLU A 71 -1.816 -1.470 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 71 0.671 -2.693 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.160 -4.128 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.711 -3.325 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.926 -4.461 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.168 -5.679 -4.545 1.00 0.00 H new ATOM 1126 N LYS A 72 0.426 -1.249 -5.947 1.00 0.00 N ATOM 1127 CA LYS A 72 1.187 -0.785 -7.104 1.00 0.00 C ATOM 1128 C LYS A 72 2.256 0.231 -6.705 1.00 0.00 C ATOM 1129 O LYS A 72 3.421 0.079 -7.067 1.00 0.00 O ATOM 1130 CB LYS A 72 0.250 -0.161 -8.145 1.00 0.00 C ATOM 1131 CG LYS A 72 0.970 0.507 -9.308 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.005 1.231 -10.224 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.878 0.255 -10.996 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.863 0.953 -11.862 1.00 0.00 N ATOM 0 H LYS A 72 -0.538 -0.917 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 72 1.685 -1.653 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.409 -0.936 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.384 0.576 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.705 1.215 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.518 -0.244 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.636 1.895 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.549 1.857 -10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.247 -0.388 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.406 -0.392 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.438 0.251 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.482 1.547 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.360 1.551 -12.548 1.00 0.00 H new ATOM 1148 N VAL A 73 1.864 1.259 -5.953 1.00 0.00 N ATOM 1149 CA VAL A 73 2.801 2.305 -5.543 1.00 0.00 C ATOM 1150 C VAL A 73 3.961 1.736 -4.724 1.00 0.00 C ATOM 1151 O VAL A 73 5.101 2.181 -4.860 1.00 0.00 O ATOM 1152 CB VAL A 73 2.113 3.445 -4.756 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.046 4.115 -5.610 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.516 2.940 -3.452 1.00 0.00 C ATOM 0 H VAL A 73 0.910 1.390 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 73 3.196 2.728 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 73 2.875 4.184 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.573 4.914 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.506 4.532 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.294 3.379 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.041 3.767 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.773 2.171 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.305 2.519 -2.829 1.00 0.00 H new ATOM 1164 N ILE A 74 3.673 0.744 -3.888 1.00 0.00 N ATOM 1165 CA ILE A 74 4.706 0.121 -3.075 1.00 0.00 C ATOM 1166 C ILE A 74 5.662 -0.666 -3.965 1.00 0.00 C ATOM 1167 O ILE A 74 6.881 -0.531 -3.859 1.00 0.00 O ATOM 1168 CB ILE A 74 4.103 -0.796 -1.990 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.430 0.055 -0.911 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.174 -1.688 -1.370 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.552 -0.740 0.023 1.00 0.00 C ATOM 0 H ILE A 74 2.738 0.357 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 74 5.256 0.912 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 74 3.358 -1.441 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.199 0.564 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.830 0.828 -1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.722 -2.324 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.622 -2.311 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.945 -1.067 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.108 -0.072 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.761 -1.227 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.151 -1.495 0.531 1.00 0.00 H new ATOM 1183 N HIS A 75 5.095 -1.456 -4.866 1.00 0.00 N ATOM 1184 CA HIS A 75 5.887 -2.255 -5.792 1.00 0.00 C ATOM 1185 C HIS A 75 6.699 -1.349 -6.715 1.00 0.00 C ATOM 1186 O HIS A 75 7.838 -1.659 -7.070 1.00 0.00 O ATOM 1187 CB HIS A 75 4.962 -3.169 -6.605 1.00 0.00 C ATOM 1188 CG HIS A 75 5.637 -3.878 -7.740 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.665 -4.774 -7.560 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.423 -3.813 -9.075 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.055 -5.232 -8.733 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.319 -4.667 -9.670 1.00 0.00 N ATOM 0 H HIS A 75 4.086 -1.561 -4.976 1.00 0.00 H new ATOM 0 HA HIS A 75 6.584 -2.873 -5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.525 -3.911 -5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.139 -2.574 -7.002 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.686 -3.204 -9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.845 -5.950 -8.899 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.402 -4.836 -10.672 1.00 0.00 H new ATOM 1201 N ARG A 76 6.108 -0.226 -7.089 1.00 0.00 N ATOM 1202 CA ARG A 76 6.760 0.727 -7.970 1.00 0.00 C ATOM 1203 C ARG A 76 7.903 1.451 -7.264 1.00 0.00 C ATOM 1204 O ARG A 76 8.998 1.565 -7.814 1.00 0.00 O ATOM 1205 CB ARG A 76 5.749 1.750 -8.496 1.00 0.00 C ATOM 1206 CG ARG A 76 6.383 2.820 -9.370 1.00 0.00 C ATOM 1207 CD ARG A 76 5.493 4.040 -9.510 1.00 0.00 C ATOM 1208 NE ARG A 76 6.261 5.214 -9.914 1.00 0.00 N ATOM 1209 CZ ARG A 76 5.981 5.964 -10.980 1.00 0.00 C ATOM 1210 NH1 ARG A 76 4.942 5.671 -11.757 1.00 0.00 N ATOM 1211 NH2 ARG A 76 6.741 7.011 -11.271 1.00 0.00 N ATOM 0 H ARG A 76 5.171 0.049 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 76 7.175 0.166 -8.807 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.980 1.231 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.251 2.227 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.341 3.117 -8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.589 2.406 -10.357 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.714 3.842 -10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.993 4.239 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 76 7.064 5.478 -9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.353 4.867 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.734 6.250 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.539 7.242 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.527 7.585 -12.086 1.00 0.00 H new ATOM 1225 N LEU A 77 7.650 1.919 -6.042 1.00 0.00 N ATOM 1226 CA LEU A 77 8.650 2.658 -5.275 1.00 0.00 C ATOM 1227 C LEU A 77 9.951 1.871 -5.106 1.00 0.00 C ATOM 1228 O LEU A 77 11.028 2.451 -5.100 1.00 0.00 O ATOM 1229 CB LEU A 77 8.072 3.072 -3.910 1.00 0.00 C ATOM 1230 CG LEU A 77 8.368 2.141 -2.725 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.565 2.640 -1.931 1.00 0.00 C ATOM 1232 CD2 LEU A 77 7.152 2.035 -1.821 1.00 0.00 C ATOM 0 H LEU A 77 6.758 1.798 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 77 8.901 3.556 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.452 4.064 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.990 3.161 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 77 8.604 1.153 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.755 1.965 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.442 2.674 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.357 3.639 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.376 1.372 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.894 3.023 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.312 1.633 -2.387 1.00 0.00 H new ATOM 1244 N THR A 78 9.863 0.559 -4.990 1.00 0.00 N ATOM 1245 CA THR A 78 11.061 -0.248 -4.813 1.00 0.00 C ATOM 1246 C THR A 78 11.633 -0.749 -6.142 1.00 0.00 C ATOM 1247 O THR A 78 12.850 -0.786 -6.319 1.00 0.00 O ATOM 1248 CB THR A 78 10.805 -1.445 -3.872 1.00 0.00 C ATOM 1249 OG1 THR A 78 11.882 -2.384 -3.960 1.00 0.00 O ATOM 1250 CG2 THR A 78 9.494 -2.139 -4.203 1.00 0.00 C ATOM 0 H THR A 78 8.989 0.033 -5.014 1.00 0.00 H new ATOM 0 HA THR A 78 11.800 0.410 -4.356 1.00 0.00 H new ATOM 0 HB THR A 78 10.741 -1.059 -2.855 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.709 -3.138 -3.358 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.344 -2.977 -3.522 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.671 -1.432 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.526 -2.506 -5.229 1.00 0.00 H new ATOM 1258 N HIS A 79 10.771 -1.093 -7.090 1.00 0.00 N ATOM 1259 CA HIS A 79 11.234 -1.627 -8.371 1.00 0.00 C ATOM 1260 C HIS A 79 11.586 -0.530 -9.370 1.00 0.00 C ATOM 1261 O HIS A 79 12.759 -0.288 -9.649 1.00 0.00 O ATOM 1262 CB HIS A 79 10.178 -2.551 -8.981 1.00 0.00 C ATOM 1263 CG HIS A 79 10.756 -3.648 -9.822 1.00 0.00 C ATOM 1264 ND1 HIS A 79 11.022 -3.515 -11.168 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.119 -4.909 -9.495 1.00 0.00 C ATOM 1266 CE1 HIS A 79 11.519 -4.647 -11.632 1.00 0.00 C ATOM 1267 NE2 HIS A 79 11.589 -5.507 -10.634 1.00 0.00 N ATOM 0 H HIS A 79 9.758 -1.014 -7.002 1.00 0.00 H new ATOM 0 HA HIS A 79 12.143 -2.190 -8.162 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.586 -2.992 -8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.496 -1.958 -9.591 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.051 -5.361 -8.516 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.817 -4.836 -12.653 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.937 -6.463 -10.700 1.00 0.00 H new ATOM 1276 N TYR A 80 10.566 0.134 -9.892 1.00 0.00 N ATOM 1277 CA TYR A 80 10.748 1.175 -10.898 1.00 0.00 C ATOM 1278 C TYR A 80 11.498 2.379 -10.346 1.00 0.00 C ATOM 1279 O TYR A 80 12.487 2.826 -10.923 1.00 0.00 O ATOM 1280 CB TYR A 80 9.392 1.643 -11.438 1.00 0.00 C ATOM 1281 CG TYR A 80 8.505 0.534 -11.959 1.00 0.00 C ATOM 1282 CD1 TYR A 80 7.765 -0.255 -11.090 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.401 0.287 -13.320 1.00 0.00 C ATOM 1284 CE1 TYR A 80 6.949 -1.261 -11.560 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.583 -0.718 -13.800 1.00 0.00 C ATOM 1286 CZ TYR A 80 6.860 -1.489 -12.913 1.00 0.00 C ATOM 1287 OH TYR A 80 6.040 -2.487 -13.379 1.00 0.00 O ATOM 0 H TYR A 80 9.593 -0.030 -9.634 1.00 0.00 H new ATOM 0 HA TYR A 80 11.341 0.736 -11.701 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.863 2.172 -10.645 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.563 2.361 -12.240 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.830 -0.078 -10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.968 0.889 -14.015 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.382 -1.867 -10.869 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.510 -0.899 -14.862 1.00 0.00 H new ATOM 0 HH TYR A 80 6.088 -2.519 -14.357 1.00 0.00 H new ATOM 1297 N ASP A 81 11.028 2.889 -9.222 1.00 0.00 N ATOM 1298 CA ASP A 81 11.616 4.069 -8.606 1.00 0.00 C ATOM 1299 C ASP A 81 12.946 3.779 -7.920 1.00 0.00 C ATOM 1300 O ASP A 81 13.831 4.636 -7.909 1.00 0.00 O ATOM 1301 CB ASP A 81 10.641 4.677 -7.595 1.00 0.00 C ATOM 1302 CG ASP A 81 9.775 5.762 -8.203 1.00 0.00 C ATOM 1303 OD1 ASP A 81 10.224 6.924 -8.259 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.640 5.461 -8.626 1.00 0.00 O ATOM 0 H ASP A 81 10.234 2.502 -8.712 1.00 0.00 H new ATOM 0 HA ASP A 81 11.814 4.777 -9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.003 3.890 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.203 5.092 -6.758 1.00 0.00 H new ATOM 1309 N HIS A 82 13.094 2.577 -7.356 1.00 0.00 N ATOM 1310 CA HIS A 82 14.320 2.213 -6.630 1.00 0.00 C ATOM 1311 C HIS A 82 14.517 3.201 -5.485 1.00 0.00 C ATOM 1312 O HIS A 82 15.633 3.597 -5.148 1.00 0.00 O ATOM 1313 CB HIS A 82 15.544 2.214 -7.553 1.00 0.00 C ATOM 1314 CG HIS A 82 15.904 0.860 -8.082 1.00 0.00 C ATOM 1315 ND1 HIS A 82 16.577 0.674 -9.268 1.00 0.00 N ATOM 1316 CD2 HIS A 82 15.687 -0.380 -7.578 1.00 0.00 C ATOM 1317 CE1 HIS A 82 16.756 -0.615 -9.474 1.00 0.00 C ATOM 1318 NE2 HIS A 82 16.228 -1.277 -8.463 1.00 0.00 N ATOM 0 H HIS A 82 12.387 1.842 -7.386 1.00 0.00 H new ATOM 0 HA HIS A 82 14.214 1.201 -6.240 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.354 2.883 -8.392 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.397 2.620 -7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.183 -0.617 -6.653 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.251 -1.055 -10.327 1.00 0.00 H new ATOM 0 HE2 HIS A 82 16.223 -2.291 -8.357 1.00 0.00 H new ATOM 1327 N VAL A 83 13.390 3.583 -4.910 1.00 0.00 N ATOM 1328 CA VAL A 83 13.322 4.548 -3.831 1.00 0.00 C ATOM 1329 C VAL A 83 13.398 3.862 -2.459 1.00 0.00 C ATOM 1330 O VAL A 83 13.655 4.504 -1.437 1.00 0.00 O ATOM 1331 CB VAL A 83 12.002 5.354 -3.987 1.00 0.00 C ATOM 1332 CG1 VAL A 83 11.235 5.493 -2.682 1.00 0.00 C ATOM 1333 CG2 VAL A 83 12.278 6.718 -4.601 1.00 0.00 C ATOM 0 H VAL A 83 12.477 3.222 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 83 14.177 5.222 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 83 11.363 4.784 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.323 6.065 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.976 4.504 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.854 6.010 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.342 7.267 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.958 7.276 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.732 6.590 -5.584 1.00 0.00 H new ATOM 1343 N LEU A 84 13.221 2.548 -2.453 1.00 0.00 N ATOM 1344 CA LEU A 84 13.248 1.778 -1.217 1.00 0.00 C ATOM 1345 C LEU A 84 14.662 1.313 -0.884 1.00 0.00 C ATOM 1346 O LEU A 84 15.433 0.944 -1.772 1.00 0.00 O ATOM 1347 CB LEU A 84 12.323 0.566 -1.344 1.00 0.00 C ATOM 1348 CG LEU A 84 12.011 -0.170 -0.041 1.00 0.00 C ATOM 1349 CD1 LEU A 84 11.136 0.683 0.864 1.00 0.00 C ATOM 1350 CD2 LEU A 84 11.334 -1.497 -0.337 1.00 0.00 C ATOM 0 H LEU A 84 13.057 1.992 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 84 12.903 2.422 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.383 0.894 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.775 -0.141 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 84 12.950 -0.364 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.927 0.139 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.654 1.612 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.199 0.910 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.117 -2.012 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.404 -1.319 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.994 -2.115 -0.946 1.00 0.00 H new ATOM 1362 N ILE A 85 14.993 1.352 0.398 1.00 0.00 N ATOM 1363 CA ILE A 85 16.302 0.944 0.877 1.00 0.00 C ATOM 1364 C ILE A 85 16.200 -0.382 1.628 1.00 0.00 C ATOM 1365 O ILE A 85 15.273 -0.584 2.414 1.00 0.00 O ATOM 1366 CB ILE A 85 16.914 2.017 1.809 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.972 3.373 1.101 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.304 1.604 2.275 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.055 4.416 1.707 1.00 0.00 C ATOM 0 H ILE A 85 14.361 1.667 1.134 1.00 0.00 H new ATOM 0 HA ILE A 85 16.952 0.824 0.010 1.00 0.00 H new ATOM 0 HB ILE A 85 16.273 2.108 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.997 3.743 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 85 16.710 3.237 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.713 2.375 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.240 0.662 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.956 1.479 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.150 5.350 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.024 4.067 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.331 4.582 2.748 1.00 0.00 H new ATOM 1381 N GLU A 86 17.136 -1.282 1.365 1.00 0.00 N ATOM 1382 CA GLU A 86 17.162 -2.586 2.020 1.00 0.00 C ATOM 1383 C GLU A 86 18.572 -2.898 2.519 1.00 0.00 C ATOM 1384 O GLU A 86 19.511 -3.013 1.727 1.00 0.00 O ATOM 1385 CB GLU A 86 16.669 -3.680 1.068 1.00 0.00 C ATOM 1386 CG GLU A 86 16.902 -3.364 -0.400 1.00 0.00 C ATOM 1387 CD GLU A 86 15.835 -3.942 -1.302 1.00 0.00 C ATOM 1388 OE1 GLU A 86 14.735 -3.362 -1.382 1.00 0.00 O ATOM 1389 OE2 GLU A 86 16.095 -4.975 -1.955 1.00 0.00 O ATOM 0 H GLU A 86 17.893 -1.133 0.698 1.00 0.00 H new ATOM 0 HA GLU A 86 16.490 -2.557 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.171 -4.616 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.603 -3.838 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.936 -2.283 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.875 -3.753 -0.700 1.00 0.00 H new ATOM 1672 N TYR A 107 16.259 -5.320 5.775 1.00 0.00 N ATOM 1673 CA TYR A 107 15.239 -4.491 6.366 1.00 0.00 C ATOM 1674 C TYR A 107 14.866 -3.386 5.386 1.00 0.00 C ATOM 1675 O TYR A 107 15.740 -2.796 4.745 1.00 0.00 O ATOM 1676 CB TYR A 107 15.752 -3.962 7.716 1.00 0.00 C ATOM 1677 CG TYR A 107 16.299 -2.549 7.725 1.00 0.00 C ATOM 1678 CD1 TYR A 107 15.464 -1.463 7.927 1.00 0.00 C ATOM 1679 CD2 TYR A 107 17.657 -2.308 7.566 1.00 0.00 C ATOM 1680 CE1 TYR A 107 15.963 -0.178 7.972 1.00 0.00 C ATOM 1681 CE2 TYR A 107 18.165 -1.025 7.603 1.00 0.00 C ATOM 1682 CZ TYR A 107 17.314 0.036 7.806 1.00 0.00 C ATOM 1683 OH TYR A 107 17.816 1.318 7.858 1.00 0.00 O ATOM 0 HA TYR A 107 14.329 -5.056 6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.936 -4.016 8.436 1.00 0.00 H new ATOM 0 HB3 TYR A 107 16.535 -4.633 8.070 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.404 -1.625 8.051 1.00 0.00 H new ATOM 0 HD2 TYR A 107 18.328 -3.140 7.411 1.00 0.00 H new ATOM 0 HE1 TYR A 107 15.298 0.657 8.137 1.00 0.00 H new ATOM 0 HE2 TYR A 107 19.224 -0.856 7.473 1.00 0.00 H new ATOM 0 HH TYR A 107 18.786 1.295 7.723 1.00 0.00 H new ATOM 1693 N LEU A 108 13.573 -3.132 5.253 1.00 0.00 N ATOM 1694 CA LEU A 108 13.085 -2.135 4.313 1.00 0.00 C ATOM 1695 C LEU A 108 12.837 -0.789 4.971 1.00 0.00 C ATOM 1696 O LEU A 108 12.267 -0.704 6.062 1.00 0.00 O ATOM 1697 CB LEU A 108 11.797 -2.619 3.651 1.00 0.00 C ATOM 1698 CG LEU A 108 11.920 -3.924 2.867 1.00 0.00 C ATOM 1699 CD1 LEU A 108 10.609 -4.250 2.175 1.00 0.00 C ATOM 1700 CD2 LEU A 108 13.049 -3.834 1.853 1.00 0.00 C ATOM 0 H LEU A 108 12.842 -3.604 5.785 1.00 0.00 H new ATOM 0 HA LEU A 108 13.864 -2.000 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.037 -2.747 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.439 -1.841 2.977 1.00 0.00 H new ATOM 0 HG LEU A 108 12.152 -4.727 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 108 10.712 -5.183 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.821 -4.356 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.351 -3.445 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.121 -4.773 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.848 -3.021 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.989 -3.643 2.371 1.00 0.00 H new ATOM 1712 N VAL A 109 13.266 0.254 4.281 1.00 0.00 N ATOM 1713 CA VAL A 109 13.100 1.625 4.737 1.00 0.00 C ATOM 1714 C VAL A 109 12.881 2.531 3.523 1.00 0.00 C ATOM 1715 O VAL A 109 13.478 2.308 2.470 1.00 0.00 O ATOM 1716 CB VAL A 109 14.331 2.103 5.554 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.617 1.537 4.978 1.00 0.00 C ATOM 1718 CG2 VAL A 109 14.415 3.619 5.610 1.00 0.00 C ATOM 0 H VAL A 109 13.742 0.174 3.383 1.00 0.00 H new ATOM 0 HA VAL A 109 12.233 1.674 5.396 1.00 0.00 H new ATOM 0 HB VAL A 109 14.203 1.732 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.465 1.886 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.580 0.448 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.731 1.870 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.289 3.914 6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.500 4.016 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.516 4.016 6.081 1.00 0.00 H new ATOM 1728 N VAL A 110 12.018 3.535 3.648 1.00 0.00 N ATOM 1729 CA VAL A 110 11.754 4.423 2.523 1.00 0.00 C ATOM 1730 C VAL A 110 11.963 5.898 2.859 1.00 0.00 C ATOM 1731 O VAL A 110 11.141 6.520 3.531 1.00 0.00 O ATOM 1732 CB VAL A 110 10.325 4.238 1.954 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.260 4.326 3.047 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.065 5.270 0.867 1.00 0.00 C ATOM 0 H VAL A 110 11.499 3.751 4.499 1.00 0.00 H new ATOM 0 HA VAL A 110 12.485 4.136 1.767 1.00 0.00 H new ATOM 0 HB VAL A 110 10.261 3.238 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.273 4.191 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.435 3.547 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.312 5.303 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.059 5.135 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.159 6.272 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.791 5.144 0.064 1.00 0.00 H new ATOM 1744 N ASN A 111 13.074 6.460 2.406 1.00 0.00 N ATOM 1745 CA ASN A 111 13.322 7.881 2.616 1.00 0.00 C ATOM 1746 C ASN A 111 14.027 8.497 1.435 1.00 0.00 C ATOM 1747 O ASN A 111 15.205 8.837 1.516 1.00 0.00 O ATOM 1748 CB ASN A 111 14.162 8.196 3.832 1.00 0.00 C ATOM 1749 CG ASN A 111 13.486 7.891 5.149 1.00 0.00 C ATOM 1750 OD1 ASN A 111 13.595 6.787 5.681 1.00 0.00 O ATOM 1751 ND2 ASN A 111 12.794 8.877 5.691 1.00 0.00 N ATOM 0 H ASN A 111 13.808 5.965 1.899 1.00 0.00 H new ATOM 0 HA ASN A 111 12.325 8.299 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.092 7.630 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.430 9.252 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.324 8.739 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.730 9.777 5.215 1.00 0.00 H new ATOM 1758 N PRO A 112 13.344 8.632 0.315 1.00 0.00 N ATOM 1759 CA PRO A 112 13.897 9.289 -0.843 1.00 0.00 C ATOM 1760 C PRO A 112 13.450 10.721 -0.794 1.00 0.00 C ATOM 1761 O PRO A 112 13.590 11.478 -1.756 1.00 0.00 O ATOM 1762 CB PRO A 112 13.197 8.569 -1.972 1.00 0.00 C ATOM 1763 CG PRO A 112 11.818 8.365 -1.439 1.00 0.00 C ATOM 1764 CD PRO A 112 11.978 8.137 0.046 1.00 0.00 C ATOM 0 HA PRO A 112 14.984 9.268 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.192 9.162 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.682 7.622 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.191 9.234 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.337 7.511 -1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 112 11.230 8.684 0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.872 7.084 0.306 1.00 0.00 H new ATOM 1772 N ASN A 113 12.906 11.060 0.376 1.00 0.00 N ATOM 1773 CA ASN A 113 12.316 12.354 0.607 1.00 0.00 C ATOM 1774 C ASN A 113 11.186 12.477 -0.405 1.00 0.00 C ATOM 1775 O ASN A 113 11.148 13.380 -1.241 1.00 0.00 O ATOM 1776 CB ASN A 113 13.369 13.455 0.492 1.00 0.00 C ATOM 1777 CG ASN A 113 12.832 14.825 0.865 1.00 0.00 C ATOM 1778 OD1 ASN A 113 12.502 15.640 -0.002 1.00 0.00 O ATOM 1779 ND2 ASN A 113 12.740 15.086 2.158 1.00 0.00 N ATOM 0 H ASN A 113 12.868 10.436 1.182 1.00 0.00 H new ATOM 0 HA ASN A 113 11.917 12.462 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 113 14.213 13.213 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.747 13.484 -0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.385 15.989 2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.024 14.384 2.841 1.00 0.00 H new ATOM 1786 N TYR A 114 10.308 11.464 -0.322 1.00 0.00 N ATOM 1787 CA TYR A 114 9.149 11.282 -1.206 1.00 0.00 C ATOM 1788 C TYR A 114 8.498 12.597 -1.612 1.00 0.00 C ATOM 1789 O TYR A 114 8.206 13.449 -0.775 1.00 0.00 O ATOM 1790 CB TYR A 114 8.116 10.369 -0.533 1.00 0.00 C ATOM 1791 CG TYR A 114 7.499 9.343 -1.466 1.00 0.00 C ATOM 1792 CD1 TYR A 114 6.388 9.661 -2.239 1.00 0.00 C ATOM 1793 CD2 TYR A 114 8.027 8.057 -1.576 1.00 0.00 C ATOM 1794 CE1 TYR A 114 5.822 8.732 -3.093 1.00 0.00 C ATOM 1795 CE2 TYR A 114 7.464 7.122 -2.431 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.364 7.467 -3.183 1.00 0.00 C ATOM 1797 OH TYR A 114 5.806 6.542 -4.035 1.00 0.00 O ATOM 0 H TYR A 114 10.389 10.730 0.382 1.00 0.00 H new ATOM 0 HA TYR A 114 9.518 10.818 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.592 9.849 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.322 10.985 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 114 5.960 10.650 -2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 114 8.889 7.785 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 114 4.959 8.996 -3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.885 6.130 -2.506 1.00 0.00 H new ATOM 0 HH TYR A 114 6.308 5.702 -3.980 1.00 0.00 H new ATOM 1807 N LEU A 115 8.279 12.738 -2.911 1.00 0.00 N ATOM 1808 CA LEU A 115 7.673 13.936 -3.470 1.00 0.00 C ATOM 1809 C LEU A 115 6.171 13.742 -3.672 1.00 0.00 C ATOM 1810 O LEU A 115 5.604 12.762 -3.187 1.00 0.00 O ATOM 1811 CB LEU A 115 8.352 14.337 -4.804 1.00 0.00 C ATOM 1812 CG LEU A 115 8.748 13.209 -5.791 1.00 0.00 C ATOM 1813 CD1 LEU A 115 9.999 12.476 -5.328 1.00 0.00 C ATOM 1814 CD2 LEU A 115 7.610 12.222 -6.020 1.00 0.00 C ATOM 0 H LEU A 115 8.515 12.028 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 115 7.823 14.747 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.681 15.018 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.253 14.900 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 115 8.965 13.693 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.247 11.692 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.828 13.180 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.818 12.030 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.933 11.450 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.332 11.761 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.750 12.748 -6.434 1.00 0.00 H new ATOM 2020 N LEU B 390 -4.973 -8.589 -1.490 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.134 -8.596 -2.375 1.00 0.00 C ATOM 2022 C LEU B 390 -6.799 -9.968 -2.372 1.00 0.00 C ATOM 2023 O LEU B 390 -7.985 -10.087 -2.669 1.00 0.00 O ATOM 2024 CB LEU B 390 -5.744 -8.177 -3.796 1.00 0.00 C ATOM 2025 CG LEU B 390 -6.910 -7.701 -4.674 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.572 -6.457 -4.088 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -6.429 -7.429 -6.093 1.00 0.00 C ATOM 0 HA LEU B 390 -6.853 -7.868 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.006 -7.377 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -5.259 -9.021 -4.288 1.00 0.00 H new ATOM 0 HG LEU B 390 -7.656 -8.496 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.394 -6.144 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.957 -6.684 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.839 -5.653 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -7.267 -7.092 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -5.660 -6.657 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -6.015 -8.343 -6.518 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.038 -10.996 -2.001 1.00 0.00 N ATOM 2040 CA GLU B 391 -6.572 -12.353 -1.938 1.00 0.00 C ATOM 2041 C GLU B 391 -7.655 -12.439 -0.865 1.00 0.00 C ATOM 2042 O GLU B 391 -8.540 -13.292 -0.923 1.00 0.00 O ATOM 2043 CB GLU B 391 -5.454 -13.358 -1.658 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.886 -14.808 -1.802 1.00 0.00 C ATOM 2045 CD GLU B 391 -4.719 -15.770 -1.763 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.100 -16.001 -2.820 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -4.408 -16.293 -0.671 1.00 0.00 O ATOM 0 H GLU B 391 -5.055 -10.915 -1.741 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.016 -12.600 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -4.625 -13.166 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -5.079 -13.199 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -6.584 -15.056 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -6.423 -14.932 -2.743 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.587 -11.535 0.109 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.578 -11.484 1.178 1.00 0.00 C ATOM 2056 C ARG B 392 -9.960 -11.201 0.585 1.00 0.00 C ATOM 2057 O ARG B 392 -10.982 -11.639 1.108 1.00 0.00 O ATOM 2058 CB ARG B 392 -8.213 -10.402 2.203 1.00 0.00 C ATOM 2059 CG ARG B 392 -9.265 -10.223 3.283 1.00 0.00 C ATOM 2060 CD ARG B 392 -9.040 -8.962 4.101 1.00 0.00 C ATOM 2061 NE ARG B 392 -10.227 -8.622 4.884 1.00 0.00 N ATOM 2062 CZ ARG B 392 -10.384 -7.492 5.572 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -9.412 -6.590 5.632 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -11.520 -7.271 6.216 1.00 0.00 N ATOM 0 H ARG B 392 -6.855 -10.828 0.179 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.594 -12.447 1.688 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.262 -10.659 2.670 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.068 -9.454 1.685 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -10.252 -10.184 2.823 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.255 -11.089 3.944 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -8.190 -9.105 4.768 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.789 -8.134 3.437 1.00 0.00 H new ATOM 0 HE ARG B 392 -10.990 -9.299 4.905 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -8.530 -6.757 5.147 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -9.547 -5.729 6.163 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -12.268 -7.964 6.183 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -11.647 -6.408 6.745 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.963 -10.493 -0.542 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.191 -10.122 -1.238 1.00 0.00 C ATOM 2080 C ILE B 393 -11.963 -11.361 -1.682 1.00 0.00 C ATOM 2081 O ILE B 393 -13.192 -11.373 -1.690 1.00 0.00 O ATOM 2082 CB ILE B 393 -10.875 -9.202 -2.452 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.957 -7.735 -2.027 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -11.800 -9.461 -3.632 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -10.050 -7.399 -0.871 1.00 0.00 C ATOM 0 H ILE B 393 -9.113 -10.161 -0.998 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.821 -9.567 -0.543 1.00 0.00 H new ATOM 0 HB ILE B 393 -9.863 -9.433 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.701 -7.103 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -11.986 -7.500 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.538 -8.794 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -11.694 -10.496 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -12.832 -9.279 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -10.157 -6.344 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -10.321 -8.007 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -9.016 -7.603 -1.149 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.231 -12.420 -1.996 1.00 0.00 N ATOM 2098 CA ARG B 394 -11.837 -13.665 -2.446 1.00 0.00 C ATOM 2099 C ARG B 394 -12.572 -14.354 -1.304 1.00 0.00 C ATOM 2100 O ARG B 394 -13.509 -15.121 -1.525 1.00 0.00 O ATOM 2101 CB ARG B 394 -10.766 -14.594 -3.010 1.00 0.00 C ATOM 2102 CG ARG B 394 -9.780 -13.891 -3.922 1.00 0.00 C ATOM 2103 CD ARG B 394 -8.661 -14.821 -4.367 1.00 0.00 C ATOM 2104 NE ARG B 394 -9.121 -16.196 -4.569 1.00 0.00 N ATOM 2105 CZ ARG B 394 -8.308 -17.252 -4.647 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -6.992 -17.087 -4.622 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -8.809 -18.475 -4.766 1.00 0.00 N ATOM 0 H ARG B 394 -10.212 -12.442 -1.947 1.00 0.00 H new ATOM 0 HA ARG B 394 -12.559 -13.431 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -10.222 -15.053 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.249 -15.401 -3.562 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.304 -13.508 -4.798 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -9.354 -13.032 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -8.229 -14.446 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -7.868 -14.813 -3.620 1.00 0.00 H new ATOM 0 HE ARG B 394 -10.124 -16.357 -4.655 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -6.597 -16.150 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -6.375 -17.897 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -9.819 -18.611 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -8.184 -19.279 -4.825 1.00 0.00 H new ATOM 2121 N ALA B 395 -12.145 -14.071 -0.082 1.00 0.00 N ATOM 2122 CA ALA B 395 -12.757 -14.666 1.093 1.00 0.00 C ATOM 2123 C ALA B 395 -13.902 -13.806 1.611 1.00 0.00 C ATOM 2124 O ALA B 395 -14.946 -14.324 2.007 1.00 0.00 O ATOM 2125 CB ALA B 395 -11.714 -14.879 2.179 1.00 0.00 C ATOM 0 H ALA B 395 -11.376 -13.432 0.120 1.00 0.00 H new ATOM 0 HA ALA B 395 -13.169 -15.634 0.808 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -12.186 -15.326 3.054 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -10.934 -15.544 1.809 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -11.274 -13.920 2.454 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.718 -12.489 1.573 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.744 -11.567 2.065 1.00 0.00 C ATOM 2133 C LYS B 396 -15.841 -11.352 1.026 1.00 0.00 C ATOM 2134 O LYS B 396 -16.864 -10.728 1.310 1.00 0.00 O ATOM 2135 CB LYS B 396 -14.128 -10.224 2.488 1.00 0.00 C ATOM 2136 CG LYS B 396 -13.265 -9.561 1.424 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.049 -8.562 0.586 1.00 0.00 C ATOM 2138 CE LYS B 396 -14.570 -7.405 1.427 1.00 0.00 C ATOM 2139 NZ LYS B 396 -15.255 -6.384 0.595 1.00 0.00 N ATOM 0 H LYS B 396 -12.878 -12.037 1.211 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.198 -12.024 2.944 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -14.932 -9.541 2.763 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.524 -10.381 3.381 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -12.428 -9.053 1.903 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -12.843 -10.326 0.773 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.412 -8.175 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.886 -9.068 0.106 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -15.262 -7.785 2.179 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -13.741 -6.942 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -15.755 -5.712 1.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -14.552 -5.873 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -15.939 -6.851 -0.034 1.00 0.00 H new