USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 530 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 18 GLN :FLIP amide:sc= 0.961 F(o=-0.55,f=2.1) USER MOD Set 1.2: A 29 THR OG1 : rot -41:sc= 1.14 USER MOD Single : A 14 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 54:sc= 0.829 USER MOD Single : A 23 SER OG : rot 40:sc= 0.947 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -170:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.31! K(o=-2.3!,f=-2.9) USER MOD Single : A 62 LYS NZ :NH3+ 143:sc= -0.172 (180deg=-1.76!) USER MOD Single : A 64 TYR OH : rot -155:sc= 0.334 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -150:sc= -0.884 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 68:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 8.046 -0.962 5.987 1.00 0.00 N ATOM 143 CA LEU A 13 7.065 0.116 5.973 1.00 0.00 C ATOM 144 C LEU A 13 6.268 0.143 7.273 1.00 0.00 C ATOM 145 O LEU A 13 6.482 -0.681 8.162 1.00 0.00 O ATOM 146 CB LEU A 13 6.117 -0.043 4.782 1.00 0.00 C ATOM 147 CG LEU A 13 6.804 -0.195 3.424 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.947 -1.029 2.483 1.00 0.00 C ATOM 149 CD2 LEU A 13 7.091 1.171 2.817 1.00 0.00 C ATOM 0 HA LEU A 13 7.601 1.060 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.487 -0.916 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.458 0.824 4.744 1.00 0.00 H new ATOM 0 HG LEU A 13 7.752 -0.712 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.451 -1.127 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.791 -2.018 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.983 -0.540 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.580 1.044 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.155 1.713 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.744 1.735 3.483 1.00 0.00 H new ATOM 161 N HIS A 14 5.347 1.096 7.376 1.00 0.00 N ATOM 162 CA HIS A 14 4.516 1.231 8.568 1.00 0.00 C ATOM 163 C HIS A 14 3.256 2.036 8.263 1.00 0.00 C ATOM 164 O HIS A 14 3.124 2.617 7.186 1.00 0.00 O ATOM 165 CB HIS A 14 5.308 1.899 9.694 1.00 0.00 C ATOM 166 CG HIS A 14 5.517 1.016 10.884 1.00 0.00 C ATOM 167 ND1 HIS A 14 6.650 1.035 11.666 1.00 0.00 N ATOM 168 CD2 HIS A 14 4.706 0.071 11.425 1.00 0.00 C ATOM 169 CE1 HIS A 14 6.497 0.121 12.635 1.00 0.00 C ATOM 170 NE2 HIS A 14 5.333 -0.491 12.532 1.00 0.00 N ATOM 0 H HIS A 14 5.157 1.786 6.649 1.00 0.00 H new ATOM 0 HA HIS A 14 4.217 0.233 8.889 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.279 2.211 9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.785 2.802 10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.729 -0.201 11.054 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.231 -0.087 13.400 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.968 -1.225 13.139 1.00 0.00 H new ATOM 178 N GLU A 15 2.333 2.065 9.219 1.00 0.00 N ATOM 179 CA GLU A 15 1.085 2.799 9.054 1.00 0.00 C ATOM 180 C GLU A 15 1.309 4.300 9.211 1.00 0.00 C ATOM 181 O GLU A 15 1.862 4.752 10.213 1.00 0.00 O ATOM 182 CB GLU A 15 0.047 2.317 10.069 1.00 0.00 C ATOM 183 CG GLU A 15 -0.466 0.913 9.797 1.00 0.00 C ATOM 184 CD GLU A 15 -1.139 0.294 11.005 1.00 0.00 C ATOM 185 OE1 GLU A 15 -0.432 -0.007 11.990 1.00 0.00 O ATOM 186 OE2 GLU A 15 -2.374 0.109 10.967 1.00 0.00 O ATOM 0 H GLU A 15 2.426 1.588 10.116 1.00 0.00 H new ATOM 0 HA GLU A 15 0.713 2.610 8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.486 2.347 11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.796 3.008 10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.173 0.943 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.365 0.281 9.485 1.00 0.00 H new ATOM 193 N GLY A 16 0.877 5.065 8.214 1.00 0.00 N ATOM 194 CA GLY A 16 1.040 6.506 8.261 1.00 0.00 C ATOM 195 C GLY A 16 2.284 6.973 7.532 1.00 0.00 C ATOM 196 O GLY A 16 2.919 7.948 7.936 1.00 0.00 O ATOM 0 H GLY A 16 0.417 4.713 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.164 6.982 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.089 6.829 9.301 1.00 0.00 H new ATOM 200 N SER A 17 2.631 6.279 6.454 1.00 0.00 N ATOM 201 CA SER A 17 3.807 6.629 5.666 1.00 0.00 C ATOM 202 C SER A 17 3.406 7.317 4.366 1.00 0.00 C ATOM 203 O SER A 17 2.219 7.476 4.076 1.00 0.00 O ATOM 204 CB SER A 17 4.633 5.377 5.360 1.00 0.00 C ATOM 205 OG SER A 17 5.356 4.952 6.502 1.00 0.00 O ATOM 0 H SER A 17 2.115 5.471 6.106 1.00 0.00 H new ATOM 0 HA SER A 17 4.412 7.322 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.974 4.576 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.325 5.584 4.544 1.00 0.00 H new ATOM 0 HG SER A 17 5.874 4.150 6.281 1.00 0.00 H new ATOM 211 N GLN A 18 4.401 7.723 3.585 1.00 0.00 N ATOM 212 CA GLN A 18 4.152 8.395 2.314 1.00 0.00 C ATOM 213 C GLN A 18 4.911 7.713 1.180 1.00 0.00 C ATOM 214 O GLN A 18 6.141 7.661 1.187 1.00 0.00 O ATOM 215 CB GLN A 18 4.559 9.866 2.403 1.00 0.00 C ATOM 216 CG GLN A 18 3.658 10.692 3.307 1.00 0.00 C ATOM 217 CD GLN A 18 2.365 11.099 2.629 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.399 10.188 2.600 1.00 0.00 O flip ATOM 219 NE2 GLN A 18 2.235 12.220 2.135 1.00 0.00 N flip ATOM 0 H GLN A 18 5.388 7.599 3.809 1.00 0.00 H new ATOM 0 HA GLN A 18 3.085 8.333 2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.584 9.930 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.551 10.298 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.428 10.119 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.193 11.586 3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.003 12.889 2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.359 12.479 1.681 1.00 0.00 H new ATOM 228 N VAL A 19 4.170 7.191 0.207 1.00 0.00 N ATOM 229 CA VAL A 19 4.774 6.513 -0.932 1.00 0.00 C ATOM 230 C VAL A 19 4.300 7.121 -2.249 1.00 0.00 C ATOM 231 O VAL A 19 3.231 7.729 -2.314 1.00 0.00 O ATOM 232 CB VAL A 19 4.450 5.006 -0.929 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.054 4.333 0.294 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.946 4.781 -0.982 1.00 0.00 C ATOM 0 H VAL A 19 3.151 7.225 0.186 1.00 0.00 H new ATOM 0 HA VAL A 19 5.852 6.644 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 19 4.892 4.557 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.815 3.270 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.136 4.462 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.644 4.785 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.738 3.711 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.478 5.244 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.543 5.226 -1.892 1.00 0.00 H new ATOM 244 N LEU A 20 5.101 6.952 -3.296 1.00 0.00 N ATOM 245 CA LEU A 20 4.762 7.483 -4.611 1.00 0.00 C ATOM 246 C LEU A 20 4.587 6.356 -5.624 1.00 0.00 C ATOM 247 O LEU A 20 5.211 5.301 -5.507 1.00 0.00 O ATOM 248 CB LEU A 20 5.849 8.449 -5.089 1.00 0.00 C ATOM 249 CG LEU A 20 5.495 9.253 -6.343 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.448 10.308 -6.020 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.740 9.896 -6.932 1.00 0.00 C ATOM 0 H LEU A 20 5.989 6.452 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 20 3.818 8.021 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.076 9.145 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.758 7.881 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 20 5.078 8.572 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.208 10.870 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.547 9.823 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.838 10.987 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.470 10.463 -7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.186 10.565 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.458 9.121 -7.200 1.00 0.00 H new ATOM 263 N LEU A 21 3.736 6.586 -6.617 1.00 0.00 N ATOM 264 CA LEU A 21 3.478 5.590 -7.650 1.00 0.00 C ATOM 265 C LEU A 21 4.395 5.803 -8.851 1.00 0.00 C ATOM 266 O LEU A 21 4.487 6.907 -9.386 1.00 0.00 O ATOM 267 CB LEU A 21 2.015 5.650 -8.092 1.00 0.00 C ATOM 268 CG LEU A 21 0.994 5.418 -6.976 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.376 5.933 -7.390 1.00 0.00 C ATOM 270 CD2 LEU A 21 0.925 3.941 -6.617 1.00 0.00 C ATOM 0 H LEU A 21 3.212 7.454 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 21 3.682 4.605 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.826 6.625 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.855 4.905 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 21 1.315 5.972 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.089 5.759 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.316 7.001 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.707 5.408 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.194 3.794 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.627 3.367 -7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.904 3.603 -6.277 1.00 0.00 H new ATOM 282 N THR A 22 5.073 4.738 -9.267 1.00 0.00 N ATOM 283 CA THR A 22 5.985 4.808 -10.402 1.00 0.00 C ATOM 284 C THR A 22 5.250 4.539 -11.712 1.00 0.00 C ATOM 285 O THR A 22 5.596 3.619 -12.455 1.00 0.00 O ATOM 286 CB THR A 22 7.126 3.803 -10.226 1.00 0.00 C ATOM 287 OG1 THR A 22 6.653 2.476 -10.375 1.00 0.00 O ATOM 288 CG2 THR A 22 7.805 3.899 -8.877 1.00 0.00 C ATOM 0 H THR A 22 5.008 3.816 -8.835 1.00 0.00 H new ATOM 0 HA THR A 22 6.399 5.816 -10.442 1.00 0.00 H new ATOM 0 HB THR A 22 7.852 4.053 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.180 2.391 -11.229 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.604 3.160 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.225 4.897 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.076 3.710 -8.089 1.00 0.00 H new ATOM 296 N SER A 23 4.235 5.350 -11.992 1.00 0.00 N ATOM 297 CA SER A 23 3.451 5.201 -13.213 1.00 0.00 C ATOM 298 C SER A 23 2.620 6.452 -13.480 1.00 0.00 C ATOM 299 O SER A 23 2.746 7.080 -14.531 1.00 0.00 O ATOM 300 CB SER A 23 2.536 3.979 -13.113 1.00 0.00 C ATOM 301 OG SER A 23 3.178 2.819 -13.615 1.00 0.00 O ATOM 0 H SER A 23 3.936 6.117 -11.390 1.00 0.00 H new ATOM 0 HA SER A 23 4.142 5.060 -14.044 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.250 3.819 -12.073 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.618 4.161 -13.672 1.00 0.00 H new ATOM 0 HG SER A 23 4.116 2.816 -13.333 1.00 0.00 H new ATOM 307 N SER A 24 1.772 6.807 -12.522 1.00 0.00 N ATOM 308 CA SER A 24 0.919 7.984 -12.652 1.00 0.00 C ATOM 309 C SER A 24 1.525 9.189 -11.934 1.00 0.00 C ATOM 310 O SER A 24 1.102 10.325 -12.148 1.00 0.00 O ATOM 311 CB SER A 24 -0.474 7.692 -12.094 1.00 0.00 C ATOM 312 OG SER A 24 -1.264 6.984 -13.033 1.00 0.00 O ATOM 0 H SER A 24 1.656 6.297 -11.646 1.00 0.00 H new ATOM 0 HA SER A 24 0.839 8.224 -13.712 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.386 7.110 -11.176 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.967 8.628 -11.832 1.00 0.00 H new ATOM 0 HG SER A 24 -2.149 6.809 -12.650 1.00 0.00 H new ATOM 318 N ASN A 25 2.517 8.937 -11.082 1.00 0.00 N ATOM 319 CA ASN A 25 3.175 10.005 -10.336 1.00 0.00 C ATOM 320 C ASN A 25 2.204 10.665 -9.362 1.00 0.00 C ATOM 321 O ASN A 25 1.701 11.759 -9.616 1.00 0.00 O ATOM 322 CB ASN A 25 3.750 11.051 -11.295 1.00 0.00 C ATOM 323 CG ASN A 25 5.236 10.865 -11.530 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.648 10.071 -12.375 1.00 0.00 O ATOM 325 ND2 ASN A 25 6.049 11.597 -10.778 1.00 0.00 N ATOM 0 H ASN A 25 2.882 8.004 -10.892 1.00 0.00 H new ATOM 0 HA ASN A 25 3.991 9.565 -9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.224 10.994 -12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.571 12.047 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.060 11.513 -10.889 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.663 12.243 -10.089 1.00 0.00 H new ATOM 332 N GLU A 26 1.946 9.991 -8.246 1.00 0.00 N ATOM 333 CA GLU A 26 1.036 10.511 -7.232 1.00 0.00 C ATOM 334 C GLU A 26 1.361 9.925 -5.860 1.00 0.00 C ATOM 335 O GLU A 26 1.562 8.718 -5.722 1.00 0.00 O ATOM 336 CB GLU A 26 -0.413 10.194 -7.606 1.00 0.00 C ATOM 337 CG GLU A 26 -1.100 11.310 -8.376 1.00 0.00 C ATOM 338 CD GLU A 26 -1.276 12.567 -7.546 1.00 0.00 C ATOM 339 OE1 GLU A 26 -0.313 13.357 -7.453 1.00 0.00 O ATOM 340 OE2 GLU A 26 -2.378 12.761 -6.989 1.00 0.00 O ATOM 0 H GLU A 26 2.354 9.084 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 26 1.162 11.593 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.434 9.284 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.978 9.990 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.516 11.545 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.076 10.964 -8.717 1.00 0.00 H new ATOM 347 N MET A 27 1.410 10.788 -4.851 1.00 0.00 N ATOM 348 CA MET A 27 1.710 10.356 -3.491 1.00 0.00 C ATOM 349 C MET A 27 0.472 9.770 -2.819 1.00 0.00 C ATOM 350 O MET A 27 -0.655 10.157 -3.127 1.00 0.00 O ATOM 351 CB MET A 27 2.245 11.528 -2.667 1.00 0.00 C ATOM 352 CG MET A 27 3.561 12.086 -3.186 1.00 0.00 C ATOM 353 SD MET A 27 4.266 13.335 -2.093 1.00 0.00 S ATOM 354 CE MET A 27 6.017 13.061 -2.351 1.00 0.00 C ATOM 0 H MET A 27 1.246 11.790 -4.949 1.00 0.00 H new ATOM 0 HA MET A 27 2.473 9.580 -3.544 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.501 12.324 -2.657 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.379 11.204 -1.635 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.274 11.271 -3.307 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.403 12.520 -4.173 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.589 13.760 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.271 12.040 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.258 13.216 -3.403 1.00 0.00 H new ATOM 364 N ALA A 28 0.690 8.834 -1.900 1.00 0.00 N ATOM 365 CA ALA A 28 -0.408 8.195 -1.186 1.00 0.00 C ATOM 366 C ALA A 28 0.036 7.727 0.197 1.00 0.00 C ATOM 367 O ALA A 28 1.193 7.354 0.394 1.00 0.00 O ATOM 368 CB ALA A 28 -0.952 7.026 -1.991 1.00 0.00 C ATOM 0 H ALA A 28 1.617 8.502 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.201 8.931 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.772 6.558 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.315 7.385 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.160 6.295 -2.152 1.00 0.00 H new ATOM 374 N THR A 29 -0.890 7.750 1.149 1.00 0.00 N ATOM 375 CA THR A 29 -0.594 7.327 2.513 1.00 0.00 C ATOM 376 C THR A 29 -0.907 5.850 2.707 1.00 0.00 C ATOM 377 O THR A 29 -1.918 5.348 2.216 1.00 0.00 O ATOM 378 CB THR A 29 -1.390 8.167 3.513 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.241 9.548 3.241 1.00 0.00 O ATOM 380 CG2 THR A 29 -0.978 7.934 4.951 1.00 0.00 C ATOM 0 H THR A 29 -1.852 8.057 1.002 1.00 0.00 H new ATOM 0 HA THR A 29 0.471 7.477 2.690 1.00 0.00 H new ATOM 0 HB THR A 29 -2.427 7.852 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.308 9.736 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.581 8.560 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.131 6.886 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.075 8.188 5.074 1.00 0.00 H new ATOM 388 N VAL A 30 -0.030 5.158 3.426 1.00 0.00 N ATOM 389 CA VAL A 30 -0.211 3.737 3.683 1.00 0.00 C ATOM 390 C VAL A 30 -1.090 3.507 4.908 1.00 0.00 C ATOM 391 O VAL A 30 -0.838 4.059 5.978 1.00 0.00 O ATOM 392 CB VAL A 30 1.139 3.026 3.893 1.00 0.00 C ATOM 393 CG1 VAL A 30 0.945 1.519 3.962 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.113 3.396 2.785 1.00 0.00 C ATOM 0 H VAL A 30 0.812 5.559 3.840 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.700 3.318 2.804 1.00 0.00 H new ATOM 0 HB VAL A 30 1.560 3.357 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.910 1.034 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.284 1.275 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.501 1.166 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.062 2.885 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.700 3.095 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.276 4.474 2.789 1.00 0.00 H new ATOM 404 N ARG A 31 -2.124 2.688 4.744 1.00 0.00 N ATOM 405 CA ARG A 31 -3.042 2.385 5.836 1.00 0.00 C ATOM 406 C ARG A 31 -2.830 0.965 6.349 1.00 0.00 C ATOM 407 O ARG A 31 -2.890 0.714 7.553 1.00 0.00 O ATOM 408 CB ARG A 31 -4.491 2.562 5.377 1.00 0.00 C ATOM 409 CG ARG A 31 -4.821 3.980 4.938 1.00 0.00 C ATOM 410 CD ARG A 31 -4.846 4.937 6.118 1.00 0.00 C ATOM 411 NE ARG A 31 -5.919 4.620 7.057 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.362 5.461 7.988 1.00 0.00 C ATOM 413 NH1 ARG A 31 -5.827 6.669 8.109 1.00 0.00 N ATOM 414 NH2 ARG A 31 -7.344 5.094 8.802 1.00 0.00 N ATOM 0 H ARG A 31 -2.347 2.222 3.865 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.838 3.080 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.687 1.879 4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.158 2.278 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.083 4.318 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.790 3.991 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.888 4.899 6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.972 5.957 5.755 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.354 3.700 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.072 6.957 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.171 7.310 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.760 4.167 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.683 5.739 9.515 1.00 0.00 H new ATOM 428 N TYR A 32 -2.582 0.039 5.429 1.00 0.00 N ATOM 429 CA TYR A 32 -2.362 -1.357 5.789 1.00 0.00 C ATOM 430 C TYR A 32 -1.135 -1.916 5.075 1.00 0.00 C ATOM 431 O TYR A 32 -0.795 -1.485 3.974 1.00 0.00 O ATOM 432 CB TYR A 32 -3.593 -2.195 5.442 1.00 0.00 C ATOM 433 CG TYR A 32 -3.495 -3.634 5.893 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.619 -3.971 7.235 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.280 -4.656 4.977 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.529 -5.286 7.652 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.190 -5.973 5.386 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.315 -6.283 6.723 1.00 0.00 C ATOM 439 OH TYR A 32 -3.225 -7.592 7.135 1.00 0.00 O ATOM 0 H TYR A 32 -2.528 0.230 4.428 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.189 -1.406 6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.472 -1.740 5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.745 -2.171 4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.788 -3.193 7.965 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.182 -4.417 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.626 -5.531 8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.022 -6.756 4.661 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.074 -8.170 6.358 1.00 0.00 H new ATOM 449 N VAL A 33 -0.475 -2.878 5.711 1.00 0.00 N ATOM 450 CA VAL A 33 0.715 -3.497 5.138 1.00 0.00 C ATOM 451 C VAL A 33 0.783 -4.980 5.486 1.00 0.00 C ATOM 452 O VAL A 33 0.900 -5.348 6.655 1.00 0.00 O ATOM 453 CB VAL A 33 2.000 -2.806 5.629 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.212 -3.333 4.875 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.885 -1.296 5.481 1.00 0.00 C ATOM 0 H VAL A 33 -0.744 -3.246 6.623 1.00 0.00 H new ATOM 0 HA VAL A 33 0.642 -3.383 4.056 1.00 0.00 H new ATOM 0 HB VAL A 33 2.132 -3.035 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.111 -2.833 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.304 -4.407 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.091 -3.137 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.803 -0.825 5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.727 -1.044 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.043 -0.936 6.071 1.00 0.00 H new ATOM 465 N GLY A 34 0.710 -5.827 4.465 1.00 0.00 N ATOM 466 CA GLY A 34 0.766 -7.260 4.685 1.00 0.00 C ATOM 467 C GLY A 34 0.196 -8.049 3.521 1.00 0.00 C ATOM 468 O GLY A 34 -0.385 -7.471 2.601 1.00 0.00 O ATOM 0 H GLY A 34 0.613 -5.547 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.801 -7.559 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.214 -7.507 5.592 1.00 0.00 H new ATOM 472 N PRO A 35 0.344 -9.385 3.533 1.00 0.00 N ATOM 473 CA PRO A 35 -0.167 -10.246 2.461 1.00 0.00 C ATOM 474 C PRO A 35 -1.642 -9.992 2.168 1.00 0.00 C ATOM 475 O PRO A 35 -2.335 -9.335 2.946 1.00 0.00 O ATOM 476 CB PRO A 35 0.033 -11.660 3.015 1.00 0.00 C ATOM 477 CG PRO A 35 1.153 -11.530 3.987 1.00 0.00 C ATOM 478 CD PRO A 35 1.022 -10.159 4.589 1.00 0.00 C ATOM 0 HA PRO A 35 0.346 -10.068 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.872 -12.027 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.278 -12.366 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.094 -12.301 4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.116 -11.648 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.439 -10.179 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.995 -9.734 4.837 1.00 0.00 H new ATOM 486 N THR A 36 -2.115 -10.516 1.042 1.00 0.00 N ATOM 487 CA THR A 36 -3.508 -10.345 0.647 1.00 0.00 C ATOM 488 C THR A 36 -4.182 -11.696 0.428 1.00 0.00 C ATOM 489 O THR A 36 -3.539 -12.743 0.516 1.00 0.00 O ATOM 490 CB THR A 36 -3.598 -9.506 -0.629 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.822 -10.082 -1.664 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.128 -8.080 -0.442 1.00 0.00 C ATOM 0 H THR A 36 -1.555 -11.062 0.388 1.00 0.00 H new ATOM 0 HA THR A 36 -4.027 -9.827 1.453 1.00 0.00 H new ATOM 0 HB THR A 36 -4.656 -9.491 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.256 -10.901 -1.981 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.218 -7.541 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.741 -7.591 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.086 -8.079 -0.122 1.00 0.00 H new ATOM 500 N ASP A 37 -5.479 -11.666 0.145 1.00 0.00 N ATOM 501 CA ASP A 37 -6.240 -12.888 -0.086 1.00 0.00 C ATOM 502 C ASP A 37 -6.501 -13.094 -1.575 1.00 0.00 C ATOM 503 O ASP A 37 -6.415 -14.212 -2.082 1.00 0.00 O ATOM 504 CB ASP A 37 -7.567 -12.840 0.673 1.00 0.00 C ATOM 505 CG ASP A 37 -8.087 -14.222 1.018 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.552 -14.838 1.963 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.028 -14.688 0.341 1.00 0.00 O ATOM 0 H ASP A 37 -6.026 -10.808 0.070 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.649 -13.727 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.437 -12.265 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.308 -12.316 0.070 1.00 0.00 H new ATOM 512 N PHE A 38 -6.819 -12.007 -2.270 1.00 0.00 N ATOM 513 CA PHE A 38 -7.092 -12.067 -3.702 1.00 0.00 C ATOM 514 C PHE A 38 -5.817 -12.368 -4.485 1.00 0.00 C ATOM 515 O PHE A 38 -5.820 -13.191 -5.402 1.00 0.00 O ATOM 516 CB PHE A 38 -7.702 -10.749 -4.183 1.00 0.00 C ATOM 517 CG PHE A 38 -6.780 -9.572 -4.040 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.704 -8.874 -2.844 1.00 0.00 C ATOM 519 CD2 PHE A 38 -5.989 -9.161 -5.102 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.857 -7.791 -2.711 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.140 -8.079 -4.973 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.074 -7.393 -3.777 1.00 0.00 C ATOM 0 H PHE A 38 -6.894 -11.074 -1.865 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.805 -12.873 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.987 -10.851 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.616 -10.555 -3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.314 -9.181 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.037 -9.693 -6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.807 -7.256 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.528 -7.770 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.411 -6.546 -3.675 1.00 0.00 H new ATOM 532 N ALA A 39 -4.730 -11.696 -4.119 1.00 0.00 N ATOM 533 CA ALA A 39 -3.450 -11.892 -4.787 1.00 0.00 C ATOM 534 C ALA A 39 -2.389 -12.381 -3.807 1.00 0.00 C ATOM 535 O ALA A 39 -2.630 -12.457 -2.603 1.00 0.00 O ATOM 536 CB ALA A 39 -3.001 -10.600 -5.452 1.00 0.00 C ATOM 0 H ALA A 39 -4.711 -11.011 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.580 -12.657 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.043 -10.760 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.744 -10.292 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.894 -9.821 -4.698 1.00 0.00 H new ATOM 542 N SER A 40 -1.213 -12.709 -4.332 1.00 0.00 N ATOM 543 CA SER A 40 -0.114 -13.191 -3.502 1.00 0.00 C ATOM 544 C SER A 40 0.958 -12.118 -3.344 1.00 0.00 C ATOM 545 O SER A 40 0.881 -11.053 -3.957 1.00 0.00 O ATOM 546 CB SER A 40 0.497 -14.453 -4.112 1.00 0.00 C ATOM 547 OG SER A 40 0.873 -15.377 -3.104 1.00 0.00 O ATOM 0 H SER A 40 -0.996 -12.650 -5.327 1.00 0.00 H new ATOM 0 HA SER A 40 -0.513 -13.429 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.221 -14.919 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.369 -14.187 -4.709 1.00 0.00 H new ATOM 0 HG SER A 40 1.259 -16.176 -3.520 1.00 0.00 H new ATOM 553 N GLY A 41 1.958 -12.406 -2.517 1.00 0.00 N ATOM 554 CA GLY A 41 3.032 -11.455 -2.293 1.00 0.00 C ATOM 555 C GLY A 41 2.721 -10.485 -1.171 1.00 0.00 C ATOM 556 O GLY A 41 2.167 -10.872 -0.143 1.00 0.00 O ATOM 0 H GLY A 41 2.044 -13.280 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.949 -11.996 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.217 -10.897 -3.211 1.00 0.00 H new ATOM 560 N ILE A 42 3.079 -9.220 -1.369 1.00 0.00 N ATOM 561 CA ILE A 42 2.837 -8.192 -0.364 1.00 0.00 C ATOM 562 C ILE A 42 2.282 -6.923 -1.001 1.00 0.00 C ATOM 563 O ILE A 42 2.867 -6.380 -1.940 1.00 0.00 O ATOM 564 CB ILE A 42 4.123 -7.845 0.408 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.821 -9.121 0.881 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.803 -6.939 1.589 1.00 0.00 C ATOM 567 CD1 ILE A 42 5.922 -9.587 -0.048 1.00 0.00 C ATOM 0 H ILE A 42 3.537 -8.883 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 42 2.104 -8.598 0.333 1.00 0.00 H new ATOM 0 HB ILE A 42 4.799 -7.312 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.241 -8.950 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.081 -9.915 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.722 -6.702 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.346 -6.018 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.112 -7.448 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.373 -10.496 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.504 -9.790 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.683 -8.810 -0.129 1.00 0.00 H new ATOM 579 N TRP A 43 1.150 -6.453 -0.486 1.00 0.00 N ATOM 580 CA TRP A 43 0.516 -5.247 -1.004 1.00 0.00 C ATOM 581 C TRP A 43 0.358 -4.200 0.094 1.00 0.00 C ATOM 582 O TRP A 43 0.616 -4.473 1.267 1.00 0.00 O ATOM 583 CB TRP A 43 -0.851 -5.581 -1.605 1.00 0.00 C ATOM 584 CG TRP A 43 -0.790 -6.633 -2.671 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.640 -7.977 -2.488 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.878 -6.426 -4.085 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.629 -8.620 -3.703 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.774 -7.689 -4.699 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.036 -5.296 -4.893 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.821 -7.851 -6.081 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.083 -5.459 -6.265 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.976 -6.728 -6.847 1.00 0.00 C ATOM 0 H TRP A 43 0.653 -6.890 0.290 1.00 0.00 H new ATOM 0 HA TRP A 43 1.158 -4.837 -1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.517 -5.917 -0.810 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.287 -4.674 -2.024 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.544 -8.464 -1.529 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.529 -9.626 -3.841 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.120 -4.313 -4.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.738 -8.829 -6.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.204 -4.593 -6.899 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.017 -6.822 -7.922 1.00 0.00 H new ATOM 603 N LEU A 44 -0.066 -3.003 -0.293 1.00 0.00 N ATOM 604 CA LEU A 44 -0.259 -1.915 0.659 1.00 0.00 C ATOM 605 C LEU A 44 -1.595 -1.218 0.428 1.00 0.00 C ATOM 606 O LEU A 44 -1.921 -0.836 -0.696 1.00 0.00 O ATOM 607 CB LEU A 44 0.885 -0.903 0.548 1.00 0.00 C ATOM 608 CG LEU A 44 2.273 -1.513 0.351 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.262 -0.453 -0.107 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.752 -2.171 1.636 1.00 0.00 C ATOM 0 H LEU A 44 -0.283 -2.761 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.262 -2.341 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.678 -0.233 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.898 -0.292 1.451 1.00 0.00 H new ATOM 0 HG LEU A 44 2.207 -2.277 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.244 -0.906 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.926 -0.026 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.326 0.334 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.741 -2.600 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.802 -1.426 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.056 -2.960 1.922 1.00 0.00 H new ATOM 622 N GLY A 45 -2.365 -1.054 1.498 1.00 0.00 N ATOM 623 CA GLY A 45 -3.657 -0.403 1.390 1.00 0.00 C ATOM 624 C GLY A 45 -3.550 1.109 1.440 1.00 0.00 C ATOM 625 O GLY A 45 -3.836 1.724 2.467 1.00 0.00 O ATOM 0 H GLY A 45 -2.117 -1.361 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.133 -0.700 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.302 -0.746 2.199 1.00 0.00 H new ATOM 629 N LEU A 46 -3.136 1.708 0.329 1.00 0.00 N ATOM 630 CA LEU A 46 -2.991 3.156 0.249 1.00 0.00 C ATOM 631 C LEU A 46 -4.347 3.847 0.351 1.00 0.00 C ATOM 632 O LEU A 46 -5.387 3.232 0.116 1.00 0.00 O ATOM 633 CB LEU A 46 -2.303 3.550 -1.059 1.00 0.00 C ATOM 634 CG LEU A 46 -1.032 2.761 -1.386 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.400 3.275 -2.669 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.046 2.844 -0.231 1.00 0.00 C ATOM 0 H LEU A 46 -2.895 1.212 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.375 3.480 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.012 3.423 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.053 4.610 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.302 1.715 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.502 2.702 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.106 3.164 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.142 4.327 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.852 2.278 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.219 3.886 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.502 2.427 0.667 1.00 0.00 H new ATOM 648 N GLU A 47 -4.328 5.128 0.703 1.00 0.00 N ATOM 649 CA GLU A 47 -5.556 5.903 0.836 1.00 0.00 C ATOM 650 C GLU A 47 -5.353 7.333 0.348 1.00 0.00 C ATOM 651 O GLU A 47 -4.512 8.065 0.870 1.00 0.00 O ATOM 652 CB GLU A 47 -6.025 5.908 2.293 1.00 0.00 C ATOM 653 CG GLU A 47 -7.522 5.701 2.452 1.00 0.00 C ATOM 654 CD GLU A 47 -7.939 5.546 3.901 1.00 0.00 C ATOM 655 OE1 GLU A 47 -8.208 6.575 4.555 1.00 0.00 O ATOM 656 OE2 GLU A 47 -7.997 4.395 4.382 1.00 0.00 O ATOM 0 H GLU A 47 -3.475 5.652 0.901 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.321 5.434 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.499 5.124 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.747 6.857 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.051 6.548 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.824 4.814 1.894 1.00 0.00 H new ATOM 663 N LEU A 48 -6.129 7.726 -0.658 1.00 0.00 N ATOM 664 CA LEU A 48 -6.033 9.069 -1.218 1.00 0.00 C ATOM 665 C LEU A 48 -7.145 9.964 -0.679 1.00 0.00 C ATOM 666 O LEU A 48 -8.085 9.489 -0.042 1.00 0.00 O ATOM 667 CB LEU A 48 -6.103 9.013 -2.746 1.00 0.00 C ATOM 668 CG LEU A 48 -5.214 7.952 -3.396 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.571 7.784 -4.864 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.747 8.320 -3.241 1.00 0.00 C ATOM 0 H LEU A 48 -6.831 7.133 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.074 9.492 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.136 8.830 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.827 9.990 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.385 7.001 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.928 7.025 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.613 7.475 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.429 8.731 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.128 7.554 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.560 9.281 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.499 8.389 -2.182 1.00 0.00 H new ATOM 682 N ARG A 49 -7.030 11.262 -0.940 1.00 0.00 N ATOM 683 CA ARG A 49 -8.025 12.226 -0.481 1.00 0.00 C ATOM 684 C ARG A 49 -8.862 12.739 -1.648 1.00 0.00 C ATOM 685 O ARG A 49 -9.317 13.883 -1.643 1.00 0.00 O ATOM 686 CB ARG A 49 -7.342 13.397 0.226 1.00 0.00 C ATOM 687 CG ARG A 49 -6.757 13.033 1.581 1.00 0.00 C ATOM 688 CD ARG A 49 -5.349 13.581 1.749 1.00 0.00 C ATOM 689 NE ARG A 49 -5.285 15.017 1.487 1.00 0.00 N ATOM 690 CZ ARG A 49 -4.159 15.673 1.217 1.00 0.00 C ATOM 691 NH1 ARG A 49 -3.001 15.026 1.170 1.00 0.00 N ATOM 692 NH2 ARG A 49 -4.190 16.979 0.991 1.00 0.00 N ATOM 0 H ARG A 49 -6.258 11.671 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.686 11.722 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.547 13.782 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.064 14.203 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.397 13.425 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.742 11.949 1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.001 13.382 2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.674 13.059 1.072 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.155 15.548 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.971 14.021 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.141 15.534 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.077 17.481 1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.327 17.481 0.784 1.00 0.00 H new ATOM 706 N SER A 50 -9.064 11.885 -2.646 1.00 0.00 N ATOM 707 CA SER A 50 -9.848 12.251 -3.821 1.00 0.00 C ATOM 708 C SER A 50 -10.294 11.011 -4.587 1.00 0.00 C ATOM 709 O SER A 50 -9.695 9.943 -4.462 1.00 0.00 O ATOM 710 CB SER A 50 -9.033 13.166 -4.737 1.00 0.00 C ATOM 711 OG SER A 50 -7.984 12.453 -5.369 1.00 0.00 O ATOM 0 H SER A 50 -8.696 10.934 -2.665 1.00 0.00 H new ATOM 0 HA SER A 50 -10.737 12.784 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.686 13.604 -5.492 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.618 13.990 -4.157 1.00 0.00 H new ATOM 0 HG SER A 50 -7.386 13.084 -5.821 1.00 0.00 H new ATOM 717 N ALA A 51 -11.351 11.160 -5.379 1.00 0.00 N ATOM 718 CA ALA A 51 -11.877 10.052 -6.166 1.00 0.00 C ATOM 719 C ALA A 51 -11.098 9.881 -7.466 1.00 0.00 C ATOM 720 O ALA A 51 -11.581 10.231 -8.543 1.00 0.00 O ATOM 721 CB ALA A 51 -13.354 10.268 -6.458 1.00 0.00 C ATOM 0 H ALA A 51 -11.859 12.037 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.762 9.138 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.734 9.433 -7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.905 10.331 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.483 11.195 -7.017 1.00 0.00 H new ATOM 727 N LYS A 52 -9.888 9.343 -7.358 1.00 0.00 N ATOM 728 CA LYS A 52 -9.040 9.126 -8.524 1.00 0.00 C ATOM 729 C LYS A 52 -8.270 7.815 -8.402 1.00 0.00 C ATOM 730 O LYS A 52 -7.154 7.690 -8.905 1.00 0.00 O ATOM 731 CB LYS A 52 -8.062 10.291 -8.694 1.00 0.00 C ATOM 732 CG LYS A 52 -8.744 11.621 -8.974 1.00 0.00 C ATOM 733 CD LYS A 52 -7.828 12.793 -8.662 1.00 0.00 C ATOM 734 CE LYS A 52 -7.196 13.362 -9.924 1.00 0.00 C ATOM 735 NZ LYS A 52 -7.570 14.788 -10.137 1.00 0.00 N ATOM 0 H LYS A 52 -9.472 9.049 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.683 9.068 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.460 10.384 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.377 10.064 -9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.047 11.663 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.652 11.698 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.395 13.574 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.045 12.471 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.111 13.277 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.509 12.772 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.120 15.139 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.603 14.866 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.249 15.356 -9.327 1.00 0.00 H new ATOM 749 N GLY A 53 -8.874 6.841 -7.729 1.00 0.00 N ATOM 750 CA GLY A 53 -8.231 5.552 -7.553 1.00 0.00 C ATOM 751 C GLY A 53 -8.916 4.449 -8.335 1.00 0.00 C ATOM 752 O GLY A 53 -9.260 4.629 -9.503 1.00 0.00 O ATOM 0 H GLY A 53 -9.797 6.921 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.190 5.623 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.227 5.293 -6.494 1.00 0.00 H new ATOM 756 N LYS A 54 -9.115 3.304 -7.690 1.00 0.00 N ATOM 757 CA LYS A 54 -9.763 2.167 -8.331 1.00 0.00 C ATOM 758 C LYS A 54 -10.637 1.408 -7.338 1.00 0.00 C ATOM 759 O LYS A 54 -11.804 1.125 -7.610 1.00 0.00 O ATOM 760 CB LYS A 54 -8.715 1.229 -8.934 1.00 0.00 C ATOM 761 CG LYS A 54 -8.732 1.192 -10.454 1.00 0.00 C ATOM 762 CD LYS A 54 -8.462 -0.207 -10.981 1.00 0.00 C ATOM 763 CE LYS A 54 -9.677 -1.108 -10.824 1.00 0.00 C ATOM 764 NZ LYS A 54 -9.304 -2.464 -10.334 1.00 0.00 N ATOM 0 H LYS A 54 -8.836 3.140 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.401 2.546 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.726 1.539 -8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.880 0.221 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.700 1.538 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.982 1.880 -10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.182 -0.152 -12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.616 -0.640 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.380 -0.651 -10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.189 -1.197 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.160 -3.047 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.653 -2.911 -11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.838 -2.382 -9.408 1.00 0.00 H new ATOM 778 N ASN A 55 -10.064 1.079 -6.185 1.00 0.00 N ATOM 779 CA ASN A 55 -10.789 0.352 -5.150 1.00 0.00 C ATOM 780 C ASN A 55 -11.666 1.297 -4.336 1.00 0.00 C ATOM 781 O ASN A 55 -11.579 2.517 -4.473 1.00 0.00 O ATOM 782 CB ASN A 55 -9.810 -0.376 -4.227 1.00 0.00 C ATOM 783 CG ASN A 55 -8.767 -1.163 -4.997 1.00 0.00 C ATOM 784 OD1 ASN A 55 -8.883 -1.353 -6.208 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.740 -1.627 -4.295 1.00 0.00 N ATOM 0 H ASN A 55 -9.099 1.305 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.431 -0.382 -5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.312 0.350 -3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.363 -1.052 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.007 -2.165 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.684 -1.446 -3.293 1.00 0.00 H new ATOM 792 N ASP A 56 -12.513 0.724 -3.485 1.00 0.00 N ATOM 793 CA ASP A 56 -13.406 1.515 -2.647 1.00 0.00 C ATOM 794 C ASP A 56 -12.953 1.488 -1.191 1.00 0.00 C ATOM 795 O ASP A 56 -13.137 2.457 -0.455 1.00 0.00 O ATOM 796 CB ASP A 56 -14.839 0.991 -2.757 1.00 0.00 C ATOM 797 CG ASP A 56 -14.948 -0.477 -2.393 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.617 -0.828 -1.240 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.363 -1.275 -3.259 1.00 0.00 O ATOM 0 H ASP A 56 -12.599 -0.284 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.375 2.546 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.487 1.574 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.199 1.138 -3.775 1.00 0.00 H new ATOM 804 N GLY A 57 -12.360 0.371 -0.783 1.00 0.00 N ATOM 805 CA GLY A 57 -11.889 0.238 0.583 1.00 0.00 C ATOM 806 C GLY A 57 -11.585 -1.200 0.955 1.00 0.00 C ATOM 807 O GLY A 57 -10.715 -1.463 1.785 1.00 0.00 O ATOM 0 H GLY A 57 -12.197 -0.444 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.991 0.842 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.642 0.635 1.264 1.00 0.00 H new ATOM 811 N ALA A 58 -12.304 -2.134 0.339 1.00 0.00 N ATOM 812 CA ALA A 58 -12.107 -3.552 0.611 1.00 0.00 C ATOM 813 C ALA A 58 -12.188 -4.374 -0.671 1.00 0.00 C ATOM 814 O ALA A 58 -12.736 -3.922 -1.676 1.00 0.00 O ATOM 815 CB ALA A 58 -13.132 -4.044 1.622 1.00 0.00 C ATOM 0 H ALA A 58 -13.028 -1.933 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.109 -3.680 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.972 -5.105 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.023 -3.485 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.136 -3.895 1.224 1.00 0.00 H new ATOM 821 N VAL A 59 -11.639 -5.584 -0.627 1.00 0.00 N ATOM 822 CA VAL A 59 -11.651 -6.470 -1.784 1.00 0.00 C ATOM 823 C VAL A 59 -11.952 -7.906 -1.373 1.00 0.00 C ATOM 824 O VAL A 59 -11.194 -8.520 -0.621 1.00 0.00 O ATOM 825 CB VAL A 59 -10.304 -6.435 -2.531 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.397 -7.204 -3.841 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.868 -4.998 -2.779 1.00 0.00 C ATOM 0 H VAL A 59 -11.181 -5.972 0.197 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.437 -6.112 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.552 -6.917 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.436 -7.167 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.660 -8.242 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.163 -6.754 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.915 -4.993 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.620 -4.489 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.757 -4.482 -1.825 1.00 0.00 H new ATOM 837 N GLY A 60 -13.064 -8.439 -1.870 1.00 0.00 N ATOM 838 CA GLY A 60 -13.446 -9.800 -1.543 1.00 0.00 C ATOM 839 C GLY A 60 -14.024 -9.919 -0.147 1.00 0.00 C ATOM 840 O GLY A 60 -14.962 -9.204 0.208 1.00 0.00 O ATOM 0 H GLY A 60 -13.707 -7.952 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.179 -10.153 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.575 -10.450 -1.629 1.00 0.00 H new ATOM 844 N ASP A 61 -13.465 -10.826 0.648 1.00 0.00 N ATOM 845 CA ASP A 61 -13.932 -11.038 2.014 1.00 0.00 C ATOM 846 C ASP A 61 -12.962 -10.428 3.022 1.00 0.00 C ATOM 847 O ASP A 61 -12.832 -10.915 4.144 1.00 0.00 O ATOM 848 CB ASP A 61 -14.100 -12.533 2.291 1.00 0.00 C ATOM 849 CG ASP A 61 -15.298 -12.824 3.173 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.439 -12.590 2.721 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.096 -13.288 4.315 1.00 0.00 O ATOM 0 H ASP A 61 -12.688 -11.426 0.370 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.898 -10.544 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.210 -13.065 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.198 -12.915 2.769 1.00 0.00 H new ATOM 856 N LYS A 62 -12.284 -9.360 2.612 1.00 0.00 N ATOM 857 CA LYS A 62 -11.326 -8.685 3.481 1.00 0.00 C ATOM 858 C LYS A 62 -11.077 -7.256 3.008 1.00 0.00 C ATOM 859 O LYS A 62 -11.135 -6.969 1.813 1.00 0.00 O ATOM 860 CB LYS A 62 -10.007 -9.458 3.520 1.00 0.00 C ATOM 861 CG LYS A 62 -9.330 -9.437 4.880 1.00 0.00 C ATOM 862 CD LYS A 62 -7.818 -9.536 4.751 1.00 0.00 C ATOM 863 CE LYS A 62 -7.325 -10.944 5.043 1.00 0.00 C ATOM 864 NZ LYS A 62 -7.970 -11.953 4.158 1.00 0.00 N ATOM 0 H LYS A 62 -12.380 -8.944 1.686 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.747 -8.649 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.193 -10.493 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.327 -9.038 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.592 -8.518 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.700 -10.265 5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.518 -9.246 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.346 -8.834 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.244 -10.984 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.529 -11.191 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.278 -12.687 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.772 -12.390 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.312 -11.488 3.293 1.00 0.00 H new ATOM 878 N ARG A 63 -10.800 -6.364 3.954 1.00 0.00 N ATOM 879 CA ARG A 63 -10.542 -4.966 3.632 1.00 0.00 C ATOM 880 C ARG A 63 -9.129 -4.563 4.043 1.00 0.00 C ATOM 881 O ARG A 63 -8.566 -5.114 4.990 1.00 0.00 O ATOM 882 CB ARG A 63 -11.567 -4.062 4.323 1.00 0.00 C ATOM 883 CG ARG A 63 -11.420 -4.016 5.837 1.00 0.00 C ATOM 884 CD ARG A 63 -12.700 -4.446 6.538 1.00 0.00 C ATOM 885 NE ARG A 63 -12.503 -4.621 7.975 1.00 0.00 N ATOM 886 CZ ARG A 63 -13.319 -5.328 8.755 1.00 0.00 C ATOM 887 NH1 ARG A 63 -14.388 -5.924 8.242 1.00 0.00 N ATOM 888 NH2 ARG A 63 -13.066 -5.437 10.052 1.00 0.00 N ATOM 0 H ARG A 63 -10.749 -6.585 4.949 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.633 -4.846 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.472 -3.051 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.570 -4.409 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.601 -4.666 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.157 -3.005 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.476 -3.700 6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.055 -5.381 6.104 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.693 -4.176 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.588 -5.842 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.009 -6.464 8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.247 -4.980 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.691 -5.978 10.650 1.00 0.00 H new ATOM 902 N TYR A 64 -8.562 -3.600 3.324 1.00 0.00 N ATOM 903 CA TYR A 64 -7.213 -3.124 3.613 1.00 0.00 C ATOM 904 C TYR A 64 -7.229 -1.673 4.092 1.00 0.00 C ATOM 905 O TYR A 64 -6.275 -1.209 4.716 1.00 0.00 O ATOM 906 CB TYR A 64 -6.331 -3.253 2.370 1.00 0.00 C ATOM 907 CG TYR A 64 -6.321 -4.645 1.780 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.553 -5.655 2.347 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.080 -4.950 0.657 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.543 -6.929 1.811 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.074 -6.221 0.116 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.305 -7.206 0.696 1.00 0.00 C ATOM 913 OH TYR A 64 -6.296 -8.474 0.159 1.00 0.00 O ATOM 0 H TYR A 64 -9.015 -3.134 2.538 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.803 -3.742 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.677 -2.549 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.311 -2.968 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.955 -5.441 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.685 -4.181 0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.941 -7.703 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.669 -6.442 -0.758 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.530 -8.428 -0.792 1.00 0.00 H new ATOM 923 N PHE A 65 -8.313 -0.961 3.798 1.00 0.00 N ATOM 924 CA PHE A 65 -8.443 0.434 4.203 1.00 0.00 C ATOM 925 C PHE A 65 -9.903 0.872 4.188 1.00 0.00 C ATOM 926 O PHE A 65 -10.782 0.122 3.765 1.00 0.00 O ATOM 927 CB PHE A 65 -7.618 1.335 3.282 1.00 0.00 C ATOM 928 CG PHE A 65 -7.787 1.017 1.822 1.00 0.00 C ATOM 929 CD1 PHE A 65 -7.089 -0.029 1.243 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.645 1.765 1.032 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.243 -0.325 -0.098 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.803 1.474 -0.310 1.00 0.00 C ATOM 933 CZ PHE A 65 -8.102 0.428 -0.875 1.00 0.00 C ATOM 0 H PHE A 65 -9.113 -1.327 3.281 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.066 0.526 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.901 2.373 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.564 1.243 3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.416 -0.621 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.196 2.584 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.693 -1.144 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.474 2.065 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.225 0.198 -1.923 1.00 0.00 H new ATOM 943 N THR A 66 -10.154 2.092 4.651 1.00 0.00 N ATOM 944 CA THR A 66 -11.509 2.631 4.689 1.00 0.00 C ATOM 945 C THR A 66 -11.549 4.042 4.112 1.00 0.00 C ATOM 946 O THR A 66 -10.998 4.976 4.693 1.00 0.00 O ATOM 947 CB THR A 66 -12.037 2.639 6.125 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.334 1.702 6.922 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.511 2.309 6.223 1.00 0.00 C ATOM 0 H THR A 66 -9.438 2.726 5.005 1.00 0.00 H new ATOM 0 HA THR A 66 -12.146 1.990 4.079 1.00 0.00 H new ATOM 0 HB THR A 66 -11.884 3.657 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.684 1.723 7.837 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.820 2.332 7.268 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.086 3.042 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.689 1.315 5.814 1.00 0.00 H new ATOM 957 N CYS A 67 -12.204 4.189 2.965 1.00 0.00 N ATOM 958 CA CYS A 67 -12.313 5.487 2.309 1.00 0.00 C ATOM 959 C CYS A 67 -13.491 5.510 1.340 1.00 0.00 C ATOM 960 O CYS A 67 -14.262 4.555 1.260 1.00 0.00 O ATOM 961 CB CYS A 67 -11.016 5.816 1.567 1.00 0.00 C ATOM 962 SG CYS A 67 -10.503 7.544 1.706 1.00 0.00 S ATOM 0 H CYS A 67 -12.667 3.426 2.471 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.485 6.242 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.219 5.180 1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.141 5.569 0.513 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.850 7.890 0.637 1.00 0.00 H new ATOM 968 N LYS A 68 -13.623 6.609 0.605 1.00 0.00 N ATOM 969 CA LYS A 68 -14.706 6.760 -0.360 1.00 0.00 C ATOM 970 C LYS A 68 -14.498 5.839 -1.561 1.00 0.00 C ATOM 971 O LYS A 68 -13.419 5.276 -1.741 1.00 0.00 O ATOM 972 CB LYS A 68 -14.800 8.216 -0.825 1.00 0.00 C ATOM 973 CG LYS A 68 -15.920 8.996 -0.157 1.00 0.00 C ATOM 974 CD LYS A 68 -16.431 10.114 -1.051 1.00 0.00 C ATOM 975 CE LYS A 68 -17.454 10.979 -0.332 1.00 0.00 C ATOM 976 NZ LYS A 68 -18.522 11.459 -1.252 1.00 0.00 N ATOM 0 H LYS A 68 -12.993 7.409 0.659 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.639 6.481 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.852 8.715 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.949 8.235 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.740 8.320 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.562 9.415 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.594 10.732 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.880 9.688 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.904 10.409 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.952 11.835 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.199 12.045 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.096 12.025 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.018 10.643 -1.663 1.00 0.00 H new ATOM 990 N PRO A 69 -15.534 5.674 -2.401 1.00 0.00 N ATOM 991 CA PRO A 69 -15.456 4.816 -3.587 1.00 0.00 C ATOM 992 C PRO A 69 -14.483 5.358 -4.628 1.00 0.00 C ATOM 993 O PRO A 69 -14.571 6.517 -5.032 1.00 0.00 O ATOM 994 CB PRO A 69 -16.887 4.825 -4.136 1.00 0.00 C ATOM 995 CG PRO A 69 -17.490 6.080 -3.606 1.00 0.00 C ATOM 996 CD PRO A 69 -16.858 6.307 -2.263 1.00 0.00 C ATOM 0 HA PRO A 69 -15.089 3.819 -3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.893 4.813 -5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.443 3.948 -3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -17.297 6.919 -4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.572 5.986 -3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.774 7.369 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.440 5.852 -1.462 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.553 4.510 -5.058 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.559 4.901 -6.053 1.00 0.00 C ATOM 1006 C ASN A 70 -11.650 6.002 -5.511 1.00 0.00 C ATOM 1007 O ASN A 70 -11.370 6.984 -6.198 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.246 5.372 -7.337 1.00 0.00 C ATOM 1009 CG ASN A 70 -14.167 4.319 -7.920 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -15.421 4.323 -7.483 1.00 0.00 O flip ATOM 1011 ND2 ASN A 70 -13.757 3.511 -8.753 1.00 0.00 N flip ATOM 0 H ASN A 70 -13.467 3.547 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.946 4.029 -6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.818 6.276 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.489 5.637 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.785 3.544 -9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.389 2.808 -9.136 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.191 5.828 -4.276 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.311 6.803 -3.643 1.00 0.00 C ATOM 1020 C TYR A 71 -8.946 6.190 -3.348 1.00 0.00 C ATOM 1021 O TYR A 71 -7.910 6.800 -3.611 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.939 7.325 -2.349 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.694 8.625 -2.523 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.850 8.680 -3.290 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.248 9.794 -1.920 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.542 9.866 -3.452 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.935 10.984 -2.077 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.082 11.013 -2.843 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.768 12.195 -3.001 1.00 0.00 O ATOM 0 H TYR A 71 -11.414 5.021 -3.694 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.175 7.636 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.619 6.570 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.154 7.467 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.214 7.782 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.351 9.773 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.439 9.893 -4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.576 11.885 -1.603 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.311 12.907 -2.506 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.952 4.979 -2.801 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.709 4.303 -2.480 1.00 0.00 C ATOM 1041 C GLY A 72 -7.305 3.297 -3.540 1.00 0.00 C ATOM 1042 O GLY A 72 -8.032 3.081 -4.510 1.00 0.00 O ATOM 0 H GLY A 72 -9.796 4.453 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.916 5.042 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.813 3.794 -1.522 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.143 2.680 -3.356 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.644 1.692 -4.304 1.00 0.00 C ATOM 1048 C VAL A 73 -4.766 0.657 -3.610 1.00 0.00 C ATOM 1049 O VAL A 73 -4.402 0.819 -2.445 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.836 2.356 -5.435 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.755 3.137 -6.362 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.754 3.259 -4.860 1.00 0.00 C ATOM 0 H VAL A 73 -5.529 2.847 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.516 1.197 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.352 1.573 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.166 3.599 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.488 2.461 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.271 3.912 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.194 3.719 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.215 4.037 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.077 2.668 -4.242 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.430 -0.407 -4.332 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.594 -1.469 -3.785 1.00 0.00 C ATOM 1064 C LEU A 74 -2.347 -1.676 -4.639 1.00 0.00 C ATOM 1065 O LEU A 74 -2.435 -2.102 -5.791 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.387 -2.775 -3.696 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.180 -2.964 -2.402 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.327 -3.940 -2.618 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.269 -3.449 -1.285 1.00 0.00 C ATOM 0 H LEU A 74 -4.724 -0.557 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.281 -1.171 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.078 -2.821 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.695 -3.610 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.599 -2.001 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.881 -4.063 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.994 -3.553 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.929 -4.905 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.850 -3.578 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.822 -4.402 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.481 -2.715 -1.113 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.188 -1.372 -4.067 1.00 0.00 N ATOM 1082 CA VAL A 75 0.078 -1.524 -4.775 1.00 0.00 C ATOM 1083 C VAL A 75 1.134 -2.166 -3.882 1.00 0.00 C ATOM 1084 O VAL A 75 0.993 -2.194 -2.659 1.00 0.00 O ATOM 1085 CB VAL A 75 0.606 -0.170 -5.283 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.193 0.298 -6.489 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.567 0.869 -4.172 1.00 0.00 C ATOM 0 H VAL A 75 -1.098 -1.019 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.115 -2.173 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 75 1.643 -0.299 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.195 1.257 -6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.107 -0.437 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.241 0.410 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.944 1.820 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.460 0.996 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.189 0.536 -3.341 1.00 0.00 H new ATOM 1097 N ARG A 76 2.191 -2.680 -4.500 1.00 0.00 N ATOM 1098 CA ARG A 76 3.272 -3.323 -3.760 1.00 0.00 C ATOM 1099 C ARG A 76 4.451 -2.369 -3.582 1.00 0.00 C ATOM 1100 O ARG A 76 4.661 -1.470 -4.394 1.00 0.00 O ATOM 1101 CB ARG A 76 3.733 -4.591 -4.483 1.00 0.00 C ATOM 1102 CG ARG A 76 2.591 -5.426 -5.041 1.00 0.00 C ATOM 1103 CD ARG A 76 2.622 -5.473 -6.561 1.00 0.00 C ATOM 1104 NE ARG A 76 3.848 -6.084 -7.065 1.00 0.00 N ATOM 1105 CZ ARG A 76 4.058 -7.398 -7.111 1.00 0.00 C ATOM 1106 NH1 ARG A 76 3.126 -8.241 -6.686 1.00 0.00 N ATOM 1107 NH2 ARG A 76 5.204 -7.870 -7.584 1.00 0.00 N ATOM 0 H ARG A 76 2.323 -2.664 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 76 2.892 -3.594 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.399 -4.311 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.314 -5.202 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.653 -6.439 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.640 -5.011 -4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.761 -6.035 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.532 -4.461 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 76 4.588 -5.468 -7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.243 -7.884 -6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.292 -9.247 -6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.924 -7.226 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.365 -8.877 -7.619 1.00 0.00 H new ATOM 1121 N PRO A 77 5.240 -2.557 -2.506 1.00 0.00 N ATOM 1122 CA PRO A 77 6.403 -1.711 -2.227 1.00 0.00 C ATOM 1123 C PRO A 77 7.234 -1.482 -3.479 1.00 0.00 C ATOM 1124 O PRO A 77 7.437 -0.347 -3.909 1.00 0.00 O ATOM 1125 CB PRO A 77 7.185 -2.528 -1.200 1.00 0.00 C ATOM 1126 CG PRO A 77 6.144 -3.311 -0.477 1.00 0.00 C ATOM 1127 CD PRO A 77 5.062 -3.607 -1.484 1.00 0.00 C ATOM 0 HA PRO A 77 6.129 -0.717 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.911 -3.183 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.741 -1.883 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.562 -4.233 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.747 -2.745 0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.173 -4.604 -1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.071 -3.562 -1.032 1.00 0.00 H new ATOM 1135 N SER A 78 7.695 -2.581 -4.072 1.00 0.00 N ATOM 1136 CA SER A 78 8.482 -2.512 -5.292 1.00 0.00 C ATOM 1137 C SER A 78 7.702 -1.763 -6.364 1.00 0.00 C ATOM 1138 O SER A 78 8.283 -1.195 -7.290 1.00 0.00 O ATOM 1139 CB SER A 78 8.833 -3.919 -5.782 1.00 0.00 C ATOM 1140 OG SER A 78 10.106 -4.321 -5.308 1.00 0.00 O ATOM 0 H SER A 78 7.535 -3.527 -3.725 1.00 0.00 H new ATOM 0 HA SER A 78 9.409 -1.978 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.075 -4.625 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.824 -3.941 -6.872 1.00 0.00 H new ATOM 0 HG SER A 78 10.306 -5.224 -5.633 1.00 0.00 H new ATOM 1146 N ARG A 79 6.377 -1.751 -6.218 1.00 0.00 N ATOM 1147 CA ARG A 79 5.516 -1.053 -7.158 1.00 0.00 C ATOM 1148 C ARG A 79 5.393 0.420 -6.775 1.00 0.00 C ATOM 1149 O ARG A 79 4.926 1.238 -7.568 1.00 0.00 O ATOM 1150 CB ARG A 79 4.132 -1.706 -7.200 1.00 0.00 C ATOM 1151 CG ARG A 79 3.893 -2.543 -8.446 1.00 0.00 C ATOM 1152 CD ARG A 79 3.948 -1.694 -9.706 1.00 0.00 C ATOM 1153 NE ARG A 79 2.616 -1.313 -10.167 1.00 0.00 N ATOM 1154 CZ ARG A 79 2.381 -0.309 -11.010 1.00 0.00 C ATOM 1155 NH1 ARG A 79 3.387 0.417 -11.484 1.00 0.00 N ATOM 1156 NH2 ARG A 79 1.139 -0.029 -11.379 1.00 0.00 N ATOM 0 H ARG A 79 5.882 -2.217 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 79 5.963 -1.119 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.010 -2.337 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.370 -0.928 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.642 -3.332 -8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.921 -3.031 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.535 -0.796 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.460 -2.247 -10.494 1.00 0.00 H new ATOM 0 HE ARG A 79 1.818 -1.847 -9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.345 0.207 -11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.202 1.185 -12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.362 -0.583 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.960 0.740 -12.025 1.00 0.00 H new ATOM 1170 N VAL A 80 5.818 0.756 -5.554 1.00 0.00 N ATOM 1171 CA VAL A 80 5.751 2.135 -5.083 1.00 0.00 C ATOM 1172 C VAL A 80 7.137 2.664 -4.728 1.00 0.00 C ATOM 1173 O VAL A 80 8.104 1.906 -4.666 1.00 0.00 O ATOM 1174 CB VAL A 80 4.830 2.272 -3.856 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.385 1.996 -4.239 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.282 1.339 -2.744 1.00 0.00 C ATOM 0 H VAL A 80 6.208 0.096 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 80 5.338 2.725 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 80 4.894 3.296 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.750 2.098 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.068 2.709 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.300 0.983 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.620 1.449 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.249 0.309 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.301 1.590 -2.451 1.00 0.00 H new ATOM 1186 N THR A 81 7.225 3.970 -4.498 1.00 0.00 N ATOM 1187 CA THR A 81 8.494 4.600 -4.150 1.00 0.00 C ATOM 1188 C THR A 81 8.561 4.904 -2.657 1.00 0.00 C ATOM 1189 O THR A 81 7.698 5.597 -2.115 1.00 0.00 O ATOM 1190 CB THR A 81 8.685 5.887 -4.953 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.020 5.804 -6.201 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.138 6.211 -5.228 1.00 0.00 C ATOM 0 H THR A 81 6.434 4.612 -4.546 1.00 0.00 H new ATOM 0 HA THR A 81 9.295 3.903 -4.396 1.00 0.00 H new ATOM 0 HB THR A 81 8.264 6.678 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.051 5.794 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.202 7.136 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.669 6.332 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.590 5.399 -5.797 1.00 0.00 H new