USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 669 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 21 CYS SG : rot -147:sc= 0.103! USER MOD Set 1.2: A 51 TYR OH : rot 19:sc= 2.17 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0.449 USER MOD Single : A 29 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.14) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 35 GLN : amide:sc= 0.205 K(o=0.21,f=-4.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.099) USER MOD Single : A 41 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.16) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.453 F(o=-1.5,f=-0.45) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0.0713 (180deg=0.0636) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.9!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 0.31 (180deg=0.264) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.561 F(o=-2.7!,f=-0.56) USER MOD Single : A 112 LYS NZ :NH3+ 148:sc= -0.752 (180deg=-2.04!) USER MOD Single : A 114 TYR OH : rot 37:sc= 0.339 USER MOD Single : A 117 MET CE :methyl 156:sc= -0.0166 (180deg=-0.438) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.564 -3.799 6.617 1.00 0.00 N ATOM 141 CA VAL A 13 -59.415 -2.376 6.871 1.00 0.00 C ATOM 142 C VAL A 13 -60.067 -2.031 8.211 1.00 0.00 C ATOM 143 O VAL A 13 -61.111 -2.582 8.558 1.00 0.00 O ATOM 144 CB VAL A 13 -59.989 -1.573 5.702 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.289 -0.133 6.122 1.00 0.00 C ATOM 146 CG2 VAL A 13 -59.047 -1.608 4.497 1.00 0.00 C ATOM 0 HA VAL A 13 -58.361 -2.109 6.944 1.00 0.00 H new ATOM 0 HB VAL A 13 -60.929 -2.038 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.696 0.416 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -61.015 -0.135 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.370 0.347 6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.479 -1.030 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -58.084 -1.180 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -58.906 -2.640 4.176 1.00 0.00 H new ATOM 156 N GLU A 14 -59.424 -1.122 8.929 1.00 0.00 N ATOM 157 CA GLU A 14 -59.928 -0.696 10.224 1.00 0.00 C ATOM 158 C GLU A 14 -60.234 0.803 10.208 1.00 0.00 C ATOM 159 O GLU A 14 -59.527 1.577 9.565 1.00 0.00 O ATOM 160 CB GLU A 14 -58.938 -1.042 11.338 1.00 0.00 C ATOM 161 CG GLU A 14 -58.710 -2.553 11.420 1.00 0.00 C ATOM 162 CD GLU A 14 -57.216 -2.884 11.416 1.00 0.00 C ATOM 163 OE1 GLU A 14 -56.672 -3.035 10.301 1.00 0.00 O ATOM 164 OE2 GLU A 14 -56.653 -2.977 12.528 1.00 0.00 O ATOM 0 H GLU A 14 -58.558 -0.668 8.638 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.854 -1.233 10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -57.989 -0.537 11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -59.316 -0.675 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -59.170 -2.945 12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -59.197 -3.044 10.577 1.00 0.00 H new ATOM 171 N ILE A 15 -61.288 1.166 10.923 1.00 0.00 N ATOM 172 CA ILE A 15 -61.696 2.559 11.000 1.00 0.00 C ATOM 173 C ILE A 15 -60.909 3.256 12.111 1.00 0.00 C ATOM 174 O ILE A 15 -60.430 2.607 13.039 1.00 0.00 O ATOM 175 CB ILE A 15 -63.214 2.664 11.162 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.934 1.684 10.234 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.689 4.104 10.955 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.674 2.027 8.766 1.00 0.00 C ATOM 0 H ILE A 15 -61.872 0.520 11.454 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.461 3.077 10.070 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.468 2.385 12.184 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.596 0.668 10.439 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -65.005 1.710 10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.771 4.151 11.076 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -63.213 4.753 11.690 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.421 4.435 9.952 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -64.197 1.315 8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -64.035 3.034 8.558 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.604 1.977 8.565 1.00 0.00 H new ATOM 190 N GLY A 16 -60.799 4.570 11.980 1.00 0.00 N ATOM 191 CA GLY A 16 -60.078 5.363 12.961 1.00 0.00 C ATOM 192 C GLY A 16 -58.595 5.466 12.600 1.00 0.00 C ATOM 193 O GLY A 16 -57.948 6.468 12.901 1.00 0.00 O ATOM 0 H GLY A 16 -61.197 5.106 11.209 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.512 6.361 13.017 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -60.185 4.913 13.948 1.00 0.00 H new ATOM 197 N GLU A 17 -58.100 4.417 11.959 1.00 0.00 N ATOM 198 CA GLU A 17 -56.706 4.377 11.554 1.00 0.00 C ATOM 199 C GLU A 17 -56.514 5.134 10.238 1.00 0.00 C ATOM 200 O GLU A 17 -57.481 5.408 9.529 1.00 0.00 O ATOM 201 CB GLU A 17 -56.210 2.935 11.434 1.00 0.00 C ATOM 202 CG GLU A 17 -55.766 2.393 12.794 1.00 0.00 C ATOM 203 CD GLU A 17 -56.543 1.127 13.160 1.00 0.00 C ATOM 204 OE1 GLU A 17 -56.109 0.044 12.711 1.00 0.00 O ATOM 205 OE2 GLU A 17 -57.554 1.270 13.881 1.00 0.00 O ATOM 0 H GLU A 17 -58.640 3.588 11.710 1.00 0.00 H new ATOM 0 HA GLU A 17 -56.110 4.868 12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -57.003 2.306 11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -55.378 2.890 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.698 2.175 12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -55.920 3.153 13.560 1.00 0.00 H new ATOM 212 N THR A 18 -55.259 5.451 9.952 1.00 0.00 N ATOM 213 CA THR A 18 -54.928 6.171 8.734 1.00 0.00 C ATOM 214 C THR A 18 -54.208 5.249 7.749 1.00 0.00 C ATOM 215 O THR A 18 -53.401 4.412 8.152 1.00 0.00 O ATOM 216 CB THR A 18 -54.110 7.404 9.121 1.00 0.00 C ATOM 217 OG1 THR A 18 -54.983 8.149 9.966 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.857 8.335 7.934 1.00 0.00 C ATOM 0 H THR A 18 -54.460 5.222 10.543 1.00 0.00 H new ATOM 0 HA THR A 18 -55.827 6.509 8.217 1.00 0.00 H new ATOM 0 HB THR A 18 -53.157 7.088 9.544 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.531 8.966 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.272 9.194 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.308 7.798 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.810 8.678 7.531 1.00 0.00 H new ATOM 226 N TYR A 19 -54.524 5.433 6.475 1.00 0.00 N ATOM 227 CA TYR A 19 -53.917 4.628 5.429 1.00 0.00 C ATOM 228 C TYR A 19 -53.473 5.501 4.254 1.00 0.00 C ATOM 229 O TYR A 19 -53.921 6.638 4.117 1.00 0.00 O ATOM 230 CB TYR A 19 -55.007 3.666 4.951 1.00 0.00 C ATOM 231 CG TYR A 19 -55.446 2.649 6.007 1.00 0.00 C ATOM 232 CD1 TYR A 19 -56.085 3.077 7.153 1.00 0.00 C ATOM 233 CD2 TYR A 19 -55.202 1.305 5.814 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.498 2.120 8.147 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.616 0.348 6.807 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.243 0.802 7.925 1.00 0.00 C ATOM 237 OH TYR A 19 -56.634 -0.101 8.863 1.00 0.00 O ATOM 0 H TYR A 19 -55.193 6.128 6.144 1.00 0.00 H new ATOM 0 HA TYR A 19 -53.037 4.108 5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.875 4.245 4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.645 3.130 4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.275 4.129 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.700 0.971 4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -56.999 2.441 9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.433 -0.707 6.667 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.388 -1.004 8.571 1.00 0.00 H new ATOM 247 N LEU A 20 -52.598 4.935 3.436 1.00 0.00 N ATOM 248 CA LEU A 20 -52.088 5.647 2.276 1.00 0.00 C ATOM 249 C LEU A 20 -53.041 5.442 1.097 1.00 0.00 C ATOM 250 O LEU A 20 -53.173 4.331 0.587 1.00 0.00 O ATOM 251 CB LEU A 20 -50.646 5.229 1.982 1.00 0.00 C ATOM 252 CG LEU A 20 -49.658 5.361 3.143 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.548 6.815 3.605 1.00 0.00 C ATOM 254 CD2 LEU A 20 -50.033 4.421 4.291 1.00 0.00 C ATOM 0 H LEU A 20 -52.229 3.991 3.553 1.00 0.00 H new ATOM 0 HA LEU A 20 -52.051 6.718 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.650 4.190 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.278 5.827 1.149 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.672 5.060 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.840 6.882 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.201 7.434 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.525 7.167 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.315 4.534 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -51.031 4.668 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -50.020 3.390 3.936 1.00 0.00 H new ATOM 266 N CYS A 21 -53.681 6.532 0.699 1.00 0.00 N ATOM 267 CA CYS A 21 -54.618 6.485 -0.411 1.00 0.00 C ATOM 268 C CYS A 21 -53.913 7.022 -1.658 1.00 0.00 C ATOM 269 O CYS A 21 -53.108 7.948 -1.570 1.00 0.00 O ATOM 270 CB CYS A 21 -55.900 7.261 -0.101 1.00 0.00 C ATOM 271 SG CYS A 21 -57.208 6.813 -1.301 1.00 0.00 S ATOM 0 H CYS A 21 -53.569 7.452 1.125 1.00 0.00 H new ATOM 0 HA CYS A 21 -54.928 5.455 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.233 7.039 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.706 8.333 -0.145 1.00 0.00 H new ATOM 0 HG CYS A 21 -57.971 7.843 -1.516 1.00 0.00 H new ATOM 277 N ARG A 22 -54.242 6.418 -2.791 1.00 0.00 N ATOM 278 CA ARG A 22 -53.650 6.824 -4.054 1.00 0.00 C ATOM 279 C ARG A 22 -54.080 8.249 -4.408 1.00 0.00 C ATOM 280 O ARG A 22 -55.249 8.603 -4.263 1.00 0.00 O ATOM 281 CB ARG A 22 -54.062 5.879 -5.184 1.00 0.00 C ATOM 282 CG ARG A 22 -53.072 5.952 -6.349 1.00 0.00 C ATOM 283 CD ARG A 22 -52.498 4.570 -6.668 1.00 0.00 C ATOM 284 NE ARG A 22 -51.871 4.579 -8.008 1.00 0.00 N ATOM 285 CZ ARG A 22 -52.556 4.626 -9.158 1.00 0.00 C ATOM 286 NH1 ARG A 22 -53.895 4.668 -9.139 1.00 0.00 N ATOM 287 NH2 ARG A 22 -51.902 4.631 -10.328 1.00 0.00 N ATOM 0 H ARG A 22 -54.911 5.651 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.567 6.785 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -54.112 4.857 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -55.061 6.139 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -53.571 6.355 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -52.262 6.638 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.761 4.290 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -53.290 3.821 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 22 -50.853 4.547 -8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -54.393 4.664 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -54.417 4.704 -10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -50.883 4.599 -10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -52.424 4.667 -11.204 1.00 0.00 H new ATOM 376 N TRP A 28 -48.614 8.964 -2.858 1.00 0.00 N ATOM 377 CA TRP A 28 -49.716 8.582 -1.992 1.00 0.00 C ATOM 378 C TRP A 28 -49.781 9.585 -0.839 1.00 0.00 C ATOM 379 O TRP A 28 -48.768 10.176 -0.468 1.00 0.00 O ATOM 380 CB TRP A 28 -49.565 7.135 -1.519 1.00 0.00 C ATOM 381 CG TRP A 28 -49.865 6.092 -2.598 1.00 0.00 C ATOM 382 CD1 TRP A 28 -49.501 6.112 -3.887 1.00 0.00 C ATOM 383 CD2 TRP A 28 -50.609 4.868 -2.427 1.00 0.00 C ATOM 384 NE1 TRP A 28 -49.955 4.994 -4.558 1.00 0.00 N ATOM 385 CE2 TRP A 28 -50.650 4.213 -3.641 1.00 0.00 C ATOM 386 CE3 TRP A 28 -51.227 4.331 -1.284 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -51.298 2.987 -3.830 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.870 3.104 -1.489 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.921 2.433 -2.705 1.00 0.00 C ATOM 0 HA TRP A 28 -50.661 8.614 -2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -48.548 6.986 -1.158 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -50.231 6.969 -0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -48.925 6.903 -4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -49.808 4.780 -5.544 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.207 4.826 -0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -51.317 2.495 -4.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.361 2.647 -0.643 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -52.439 1.488 -2.782 1.00 0.00 H new ATOM 400 N HIS A 29 -50.982 9.746 -0.303 1.00 0.00 N ATOM 401 CA HIS A 29 -51.192 10.667 0.801 1.00 0.00 C ATOM 402 C HIS A 29 -51.891 9.939 1.950 1.00 0.00 C ATOM 403 O HIS A 29 -52.692 9.034 1.721 1.00 0.00 O ATOM 404 CB HIS A 29 -51.953 11.909 0.334 1.00 0.00 C ATOM 405 CG HIS A 29 -51.108 12.894 -0.438 1.00 0.00 C ATOM 406 ND1 HIS A 29 -49.948 13.449 0.073 1.00 0.00 N ATOM 407 CD2 HIS A 29 -51.266 13.415 -1.689 1.00 0.00 C ATOM 408 CE1 HIS A 29 -49.440 14.267 -0.836 1.00 0.00 C ATOM 409 NE2 HIS A 29 -50.258 14.245 -1.927 1.00 0.00 N ATOM 0 H HIS A 29 -51.820 9.254 -0.613 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.231 11.021 1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -52.790 11.596 -0.291 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.375 12.412 1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -52.074 13.190 -2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -48.536 14.849 -0.732 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -50.118 14.779 -2.785 1.00 0.00 H new ATOM 417 N SER A 30 -51.564 10.362 3.162 1.00 0.00 N ATOM 418 CA SER A 30 -52.151 9.762 4.348 1.00 0.00 C ATOM 419 C SER A 30 -53.600 10.227 4.507 1.00 0.00 C ATOM 420 O SER A 30 -53.860 11.420 4.655 1.00 0.00 O ATOM 421 CB SER A 30 -51.342 10.110 5.599 1.00 0.00 C ATOM 422 OG SER A 30 -50.863 11.452 5.570 1.00 0.00 O ATOM 0 H SER A 30 -50.900 11.113 3.348 1.00 0.00 H new ATOM 0 HA SER A 30 -52.135 8.679 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 -51.962 9.966 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 30 -50.498 9.426 5.687 1.00 0.00 H new ATOM 0 HG SER A 30 -50.353 11.635 6.387 1.00 0.00 H new ATOM 428 N ALA A 31 -54.505 9.260 4.471 1.00 0.00 N ATOM 429 CA ALA A 31 -55.921 9.555 4.610 1.00 0.00 C ATOM 430 C ALA A 31 -56.502 8.720 5.753 1.00 0.00 C ATOM 431 O ALA A 31 -56.242 7.522 5.845 1.00 0.00 O ATOM 432 CB ALA A 31 -56.629 9.294 3.279 1.00 0.00 C ATOM 0 H ALA A 31 -54.285 8.272 4.348 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.072 10.605 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.691 9.515 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.199 9.932 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.502 8.249 2.998 1.00 0.00 H new ATOM 438 N GLU A 32 -57.278 9.387 6.595 1.00 0.00 N ATOM 439 CA GLU A 32 -57.898 8.722 7.728 1.00 0.00 C ATOM 440 C GLU A 32 -59.199 8.041 7.297 1.00 0.00 C ATOM 441 O GLU A 32 -60.024 8.647 6.613 1.00 0.00 O ATOM 442 CB GLU A 32 -58.147 9.706 8.872 1.00 0.00 C ATOM 443 CG GLU A 32 -59.221 10.728 8.493 1.00 0.00 C ATOM 444 CD GLU A 32 -59.657 11.544 9.712 1.00 0.00 C ATOM 445 OE1 GLU A 32 -60.099 10.907 10.693 1.00 0.00 O ATOM 446 OE2 GLU A 32 -59.538 12.785 9.636 1.00 0.00 O ATOM 0 H GLU A 32 -57.491 10.381 6.515 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.214 7.956 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -58.457 9.161 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.220 10.223 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -58.836 11.396 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.083 10.214 8.068 1.00 0.00 H new ATOM 453 N VAL A 33 -59.343 6.792 7.714 1.00 0.00 N ATOM 454 CA VAL A 33 -60.529 6.023 7.380 1.00 0.00 C ATOM 455 C VAL A 33 -61.678 6.441 8.300 1.00 0.00 C ATOM 456 O VAL A 33 -61.719 6.050 9.465 1.00 0.00 O ATOM 457 CB VAL A 33 -60.220 4.526 7.452 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.486 3.694 7.240 1.00 0.00 C ATOM 459 CG2 VAL A 33 -59.136 4.142 6.443 1.00 0.00 C ATOM 0 H VAL A 33 -58.657 6.293 8.281 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.841 6.228 6.356 1.00 0.00 H new ATOM 0 HB VAL A 33 -59.841 4.309 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.238 2.634 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.215 3.938 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.908 3.917 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.935 3.073 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.476 4.381 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.224 4.698 6.660 1.00 0.00 H new ATOM 469 N ILE A 34 -62.584 7.230 7.741 1.00 0.00 N ATOM 470 CA ILE A 34 -63.731 7.705 8.497 1.00 0.00 C ATOM 471 C ILE A 34 -64.615 6.515 8.875 1.00 0.00 C ATOM 472 O ILE A 34 -64.840 6.254 10.056 1.00 0.00 O ATOM 473 CB ILE A 34 -64.469 8.797 7.720 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.510 9.912 7.298 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.655 9.334 8.523 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.506 11.049 8.322 1.00 0.00 C ATOM 0 H ILE A 34 -62.547 7.552 6.774 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.408 8.171 9.428 1.00 0.00 H new ATOM 0 HB ILE A 34 -64.871 8.356 6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.503 9.509 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -63.803 10.298 6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.162 10.109 7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.351 8.522 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.297 9.755 9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -62.816 11.828 7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.510 11.465 8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.189 10.664 9.291 1.00 0.00 H new ATOM 488 N GLN A 35 -65.093 5.824 7.850 1.00 0.00 N ATOM 489 CA GLN A 35 -65.948 4.668 8.060 1.00 0.00 C ATOM 490 C GLN A 35 -65.851 3.713 6.869 1.00 0.00 C ATOM 491 O GLN A 35 -65.030 3.911 5.975 1.00 0.00 O ATOM 492 CB GLN A 35 -67.397 5.095 8.304 1.00 0.00 C ATOM 493 CG GLN A 35 -67.721 5.107 9.799 1.00 0.00 C ATOM 494 CD GLN A 35 -67.902 3.685 10.333 1.00 0.00 C ATOM 495 OE1 GLN A 35 -68.100 2.736 9.591 1.00 0.00 O ATOM 496 NE2 GLN A 35 -67.823 3.590 11.657 1.00 0.00 N ATOM 0 H GLN A 35 -64.904 6.043 6.872 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.604 4.143 8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.563 6.087 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -68.073 4.413 7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.919 5.605 10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.630 5.683 9.973 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -67.655 4.424 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -67.930 2.683 12.110 1.00 0.00 H new ATOM 505 N SER A 36 -66.700 2.696 6.896 1.00 0.00 N ATOM 506 CA SER A 36 -66.720 1.709 5.830 1.00 0.00 C ATOM 507 C SER A 36 -68.158 1.474 5.362 1.00 0.00 C ATOM 508 O SER A 36 -69.104 1.698 6.114 1.00 0.00 O ATOM 509 CB SER A 36 -66.088 0.393 6.286 1.00 0.00 C ATOM 510 OG SER A 36 -66.770 -0.168 7.405 1.00 0.00 O ATOM 0 H SER A 36 -67.379 2.534 7.640 1.00 0.00 H new ATOM 0 HA SER A 36 -66.132 2.093 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 36 -66.099 -0.319 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 36 -65.043 0.564 6.546 1.00 0.00 H new ATOM 0 HG SER A 36 -66.337 -1.008 7.664 1.00 0.00 H new ATOM 516 N ARG A 37 -68.276 1.024 4.121 1.00 0.00 N ATOM 517 CA ARG A 37 -69.582 0.756 3.544 1.00 0.00 C ATOM 518 C ARG A 37 -69.467 -0.294 2.436 1.00 0.00 C ATOM 519 O ARG A 37 -68.386 -0.511 1.892 1.00 0.00 O ATOM 520 CB ARG A 37 -70.201 2.030 2.966 1.00 0.00 C ATOM 521 CG ARG A 37 -69.421 2.514 1.743 1.00 0.00 C ATOM 522 CD ARG A 37 -70.172 3.634 1.021 1.00 0.00 C ATOM 523 NE ARG A 37 -70.022 3.482 -0.444 1.00 0.00 N ATOM 524 CZ ARG A 37 -70.192 4.478 -1.323 1.00 0.00 C ATOM 525 NH1 ARG A 37 -70.518 5.705 -0.893 1.00 0.00 N ATOM 526 NH2 ARG A 37 -70.036 4.248 -2.634 1.00 0.00 N ATOM 0 H ARG A 37 -67.489 0.838 3.500 1.00 0.00 H new ATOM 0 HA ARG A 37 -70.226 0.382 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -71.238 1.841 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -70.212 2.811 3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.438 2.871 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -69.257 1.681 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -71.228 3.608 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.786 4.604 1.336 1.00 0.00 H new ATOM 0 HE ARG A 37 -69.774 2.561 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -70.637 5.881 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -70.647 6.463 -1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -69.788 3.315 -2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -70.165 5.006 -3.304 1.00 0.00 H new ATOM 540 N VAL A 38 -70.597 -0.917 2.136 1.00 0.00 N ATOM 541 CA VAL A 38 -70.637 -1.939 1.104 1.00 0.00 C ATOM 542 C VAL A 38 -71.655 -1.538 0.034 1.00 0.00 C ATOM 543 O VAL A 38 -72.706 -0.983 0.350 1.00 0.00 O ATOM 544 CB VAL A 38 -70.933 -3.304 1.729 1.00 0.00 C ATOM 545 CG1 VAL A 38 -71.570 -4.248 0.708 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.667 -3.918 2.329 1.00 0.00 C ATOM 0 H VAL A 38 -71.492 -0.734 2.590 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.667 -2.025 0.614 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.648 -3.154 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.770 -5.211 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -72.505 -3.818 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.889 -4.389 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.905 -4.888 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.919 -4.047 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -69.274 -3.258 3.102 1.00 0.00 H new ATOM 556 N ASN A 39 -71.307 -1.835 -1.209 1.00 0.00 N ATOM 557 CA ASN A 39 -72.178 -1.512 -2.327 1.00 0.00 C ATOM 558 C ASN A 39 -72.814 -2.797 -2.860 1.00 0.00 C ATOM 559 O ASN A 39 -72.124 -3.655 -3.408 1.00 0.00 O ATOM 560 CB ASN A 39 -71.391 -0.866 -3.469 1.00 0.00 C ATOM 561 CG ASN A 39 -71.643 0.643 -3.523 1.00 0.00 C ATOM 562 OD1 ASN A 39 -71.678 1.329 -2.516 1.00 0.00 O ATOM 563 ND2 ASN A 39 -71.816 1.118 -4.753 1.00 0.00 N ATOM 0 H ASN A 39 -70.434 -2.296 -1.467 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.938 -0.815 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -70.326 -1.056 -3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -71.679 -1.321 -4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -71.990 2.113 -4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -71.774 0.488 -5.554 1.00 0.00 H new ATOM 570 N ASP A 40 -74.124 -2.889 -2.680 1.00 0.00 N ATOM 571 CA ASP A 40 -74.861 -4.056 -3.135 1.00 0.00 C ATOM 572 C ASP A 40 -75.099 -3.947 -4.643 1.00 0.00 C ATOM 573 O ASP A 40 -75.061 -4.949 -5.355 1.00 0.00 O ATOM 574 CB ASP A 40 -76.225 -4.148 -2.448 1.00 0.00 C ATOM 575 CG ASP A 40 -77.095 -5.326 -2.892 1.00 0.00 C ATOM 576 OD1 ASP A 40 -76.887 -6.426 -2.337 1.00 0.00 O ATOM 577 OD2 ASP A 40 -77.948 -5.099 -3.777 1.00 0.00 O ATOM 0 H ASP A 40 -74.693 -2.175 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 40 -74.274 -4.942 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -76.069 -4.217 -1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -76.771 -3.223 -2.632 1.00 0.00 H new ATOM 582 N GLN A 41 -75.337 -2.721 -5.085 1.00 0.00 N ATOM 583 CA GLN A 41 -75.581 -2.468 -6.495 1.00 0.00 C ATOM 584 C GLN A 41 -74.381 -2.919 -7.330 1.00 0.00 C ATOM 585 O GLN A 41 -74.520 -3.753 -8.223 1.00 0.00 O ATOM 586 CB GLN A 41 -75.895 -0.990 -6.741 1.00 0.00 C ATOM 587 CG GLN A 41 -76.773 -0.423 -5.624 1.00 0.00 C ATOM 588 CD GLN A 41 -77.536 0.814 -6.101 1.00 0.00 C ATOM 589 OE1 GLN A 41 -78.191 0.812 -7.131 1.00 0.00 O ATOM 590 NE2 GLN A 41 -77.416 1.867 -5.298 1.00 0.00 N ATOM 0 H GLN A 41 -75.366 -1.892 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 41 -76.452 -3.047 -6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -74.966 -0.423 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -76.401 -0.877 -7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -77.479 -1.184 -5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -76.153 -0.164 -4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -76.852 1.801 -4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -77.888 2.741 -5.529 1.00 0.00 H new ATOM 599 N GLU A 42 -73.229 -2.349 -7.010 1.00 0.00 N ATOM 600 CA GLU A 42 -72.005 -2.682 -7.719 1.00 0.00 C ATOM 601 C GLU A 42 -71.455 -4.023 -7.228 1.00 0.00 C ATOM 602 O GLU A 42 -70.971 -4.827 -8.021 1.00 0.00 O ATOM 603 CB GLU A 42 -70.963 -1.573 -7.567 1.00 0.00 C ATOM 604 CG GLU A 42 -70.932 -0.675 -8.805 1.00 0.00 C ATOM 605 CD GLU A 42 -69.983 -1.236 -9.866 1.00 0.00 C ATOM 606 OE1 GLU A 42 -70.224 -2.386 -10.292 1.00 0.00 O ATOM 607 OE2 GLU A 42 -69.037 -0.502 -10.225 1.00 0.00 O ATOM 0 H GLU A 42 -73.117 -1.658 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 42 -72.237 -2.773 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -71.190 -0.974 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -69.979 -2.013 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -71.936 -0.587 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -70.615 0.329 -8.523 1.00 0.00 H new ATOM 614 N GLY A 43 -71.549 -4.221 -5.921 1.00 0.00 N ATOM 615 CA GLY A 43 -71.066 -5.450 -5.314 1.00 0.00 C ATOM 616 C GLY A 43 -69.578 -5.346 -4.974 1.00 0.00 C ATOM 617 O GLY A 43 -68.790 -6.213 -5.348 1.00 0.00 O ATOM 0 H GLY A 43 -71.952 -3.551 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.636 -5.661 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -71.229 -6.285 -5.995 1.00 0.00 H new ATOM 621 N ARG A 44 -69.238 -4.278 -4.268 1.00 0.00 N ATOM 622 CA ARG A 44 -67.859 -4.049 -3.874 1.00 0.00 C ATOM 623 C ARG A 44 -67.805 -3.334 -2.522 1.00 0.00 C ATOM 624 O ARG A 44 -68.831 -2.892 -2.008 1.00 0.00 O ATOM 625 CB ARG A 44 -67.119 -3.210 -4.917 1.00 0.00 C ATOM 626 CG ARG A 44 -67.701 -1.797 -4.997 1.00 0.00 C ATOM 627 CD ARG A 44 -66.718 -0.837 -5.670 1.00 0.00 C ATOM 628 NE ARG A 44 -67.073 -0.666 -7.096 1.00 0.00 N ATOM 629 CZ ARG A 44 -66.318 -0.004 -7.984 1.00 0.00 C ATOM 630 NH1 ARG A 44 -65.162 0.553 -7.598 1.00 0.00 N ATOM 631 NH2 ARG A 44 -66.719 0.101 -9.258 1.00 0.00 N ATOM 0 H ARG A 44 -69.894 -3.561 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 44 -67.372 -5.021 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -66.061 -3.157 -4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -67.189 -3.692 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -68.637 -1.816 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -67.936 -1.439 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -66.736 0.128 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -65.703 -1.224 -5.583 1.00 0.00 H new ATOM 0 HE ARG A 44 -67.947 -1.078 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -64.856 0.473 -6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -64.588 1.057 -8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -67.599 -0.323 -9.552 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -66.144 0.605 -9.934 1.00 0.00 H new ATOM 645 N GLU A 45 -66.597 -3.242 -1.985 1.00 0.00 N ATOM 646 CA GLU A 45 -66.396 -2.588 -0.703 1.00 0.00 C ATOM 647 C GLU A 45 -65.662 -1.259 -0.895 1.00 0.00 C ATOM 648 O GLU A 45 -64.932 -1.084 -1.870 1.00 0.00 O ATOM 649 CB GLU A 45 -65.637 -3.498 0.264 1.00 0.00 C ATOM 650 CG GLU A 45 -66.411 -4.793 0.519 1.00 0.00 C ATOM 651 CD GLU A 45 -65.457 -5.973 0.716 1.00 0.00 C ATOM 652 OE1 GLU A 45 -64.661 -6.220 -0.215 1.00 0.00 O ATOM 653 OE2 GLU A 45 -65.546 -6.601 1.793 1.00 0.00 O ATOM 0 H GLU A 45 -65.748 -3.609 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.373 -2.382 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.655 -3.732 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -65.473 -2.976 1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -67.039 -4.677 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -67.076 -4.995 -0.321 1.00 0.00 H new ATOM 660 N GLU A 46 -65.880 -0.357 0.051 1.00 0.00 N ATOM 661 CA GLU A 46 -65.248 0.950 -0.002 1.00 0.00 C ATOM 662 C GLU A 46 -64.999 1.477 1.413 1.00 0.00 C ATOM 663 O GLU A 46 -65.504 0.917 2.385 1.00 0.00 O ATOM 664 CB GLU A 46 -66.092 1.935 -0.813 1.00 0.00 C ATOM 665 CG GLU A 46 -65.525 2.112 -2.223 1.00 0.00 C ATOM 666 CD GLU A 46 -66.648 2.195 -3.259 1.00 0.00 C ATOM 667 OE1 GLU A 46 -67.612 1.413 -3.115 1.00 0.00 O ATOM 668 OE2 GLU A 46 -66.516 3.039 -4.172 1.00 0.00 O ATOM 0 H GLU A 46 -66.485 -0.506 0.858 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.286 0.847 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.119 1.576 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.121 2.899 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -64.920 3.017 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -64.866 1.277 -2.461 1.00 0.00 H new ATOM 675 N PHE A 47 -64.221 2.547 1.483 1.00 0.00 N ATOM 676 CA PHE A 47 -63.900 3.156 2.763 1.00 0.00 C ATOM 677 C PHE A 47 -63.712 4.668 2.619 1.00 0.00 C ATOM 678 O PHE A 47 -62.885 5.122 1.831 1.00 0.00 O ATOM 679 CB PHE A 47 -62.584 2.534 3.236 1.00 0.00 C ATOM 680 CG PHE A 47 -62.675 1.035 3.531 1.00 0.00 C ATOM 681 CD1 PHE A 47 -63.147 0.606 4.732 1.00 0.00 C ATOM 682 CD2 PHE A 47 -62.285 0.132 2.591 1.00 0.00 C ATOM 683 CE1 PHE A 47 -63.231 -0.785 5.005 1.00 0.00 C ATOM 684 CE2 PHE A 47 -62.370 -1.259 2.865 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.841 -1.688 4.066 1.00 0.00 C ATOM 0 H PHE A 47 -63.804 3.008 0.675 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.710 2.983 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.822 2.698 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.252 3.052 4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -63.458 1.323 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -61.911 0.473 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -63.605 -1.126 5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -62.060 -1.976 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 47 -62.905 -2.746 4.274 1.00 0.00 H new ATOM 695 N TYR A 48 -64.494 5.405 3.394 1.00 0.00 N ATOM 696 CA TYR A 48 -64.425 6.856 3.364 1.00 0.00 C ATOM 697 C TYR A 48 -63.148 7.358 4.040 1.00 0.00 C ATOM 698 O TYR A 48 -63.111 7.528 5.257 1.00 0.00 O ATOM 699 CB TYR A 48 -65.636 7.352 4.156 1.00 0.00 C ATOM 700 CG TYR A 48 -66.049 8.788 3.826 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.099 9.207 2.512 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.372 9.664 4.842 1.00 0.00 C ATOM 703 CE1 TYR A 48 -66.488 10.558 2.201 1.00 0.00 C ATOM 704 CE2 TYR A 48 -66.761 11.015 4.532 1.00 0.00 C ATOM 705 CZ TYR A 48 -66.800 11.396 3.226 1.00 0.00 C ATOM 706 OH TYR A 48 -67.167 12.672 2.933 1.00 0.00 O ATOM 0 H TYR A 48 -65.179 5.024 4.047 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.420 7.219 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.479 6.689 3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.413 7.284 5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -65.846 8.521 1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.333 9.336 5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -66.531 10.898 1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.016 11.710 5.318 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.362 13.155 3.763 1.00 0.00 H new ATOM 716 N VAL A 49 -62.131 7.582 3.220 1.00 0.00 N ATOM 717 CA VAL A 49 -60.855 8.061 3.723 1.00 0.00 C ATOM 718 C VAL A 49 -60.799 9.584 3.588 1.00 0.00 C ATOM 719 O VAL A 49 -61.189 10.135 2.559 1.00 0.00 O ATOM 720 CB VAL A 49 -59.708 7.353 2.999 1.00 0.00 C ATOM 721 CG1 VAL A 49 -59.918 5.838 2.990 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.541 7.893 1.578 1.00 0.00 C ATOM 0 H VAL A 49 -62.165 7.440 2.210 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.748 7.824 4.782 1.00 0.00 H new ATOM 0 HB VAL A 49 -58.788 7.560 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.089 5.359 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -59.963 5.471 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -60.852 5.603 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.719 7.373 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.461 7.731 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.323 8.960 1.618 1.00 0.00 H new ATOM 732 N HIS A 50 -60.308 10.222 4.640 1.00 0.00 N ATOM 733 CA HIS A 50 -60.195 11.670 4.652 1.00 0.00 C ATOM 734 C HIS A 50 -58.728 12.072 4.491 1.00 0.00 C ATOM 735 O HIS A 50 -57.880 11.673 5.289 1.00 0.00 O ATOM 736 CB HIS A 50 -60.835 12.255 5.913 1.00 0.00 C ATOM 737 CG HIS A 50 -60.549 13.723 6.123 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.369 14.384 6.298 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -61.545 14.682 6.170 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -59.630 15.677 6.443 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -60.979 15.864 6.365 1.00 0.00 N flip ATOM 0 H HIS A 50 -59.984 9.762 5.491 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.745 12.088 3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -61.914 12.109 5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.479 11.698 6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -62.604 14.498 6.065 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -58.895 16.453 6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -61.466 16.757 6.443 1.00 0.00 H new ATOM 749 N TYR A 51 -58.472 12.856 3.455 1.00 0.00 N ATOM 750 CA TYR A 51 -57.122 13.316 3.180 1.00 0.00 C ATOM 751 C TYR A 51 -56.760 14.513 4.061 1.00 0.00 C ATOM 752 O TYR A 51 -56.980 15.661 3.677 1.00 0.00 O ATOM 753 CB TYR A 51 -57.117 13.757 1.714 1.00 0.00 C ATOM 754 CG TYR A 51 -57.280 12.607 0.718 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.179 11.875 0.323 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.528 12.302 0.215 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.332 10.793 -0.614 1.00 0.00 C ATOM 758 CE2 TYR A 51 -58.681 11.220 -0.723 1.00 0.00 C ATOM 759 CZ TYR A 51 -57.576 10.519 -1.091 1.00 0.00 C ATOM 760 OH TYR A 51 -57.721 9.497 -1.977 1.00 0.00 O ATOM 0 H TYR A 51 -59.177 13.185 2.795 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.399 12.526 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -57.922 14.476 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.182 14.276 1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.202 12.114 0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.390 12.874 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -55.479 10.212 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -59.652 10.971 -1.125 1.00 0.00 H new ATOM 0 HH TYR A 51 -56.942 8.905 -1.923 1.00 0.00 H new ATOM 770 N VAL A 52 -56.210 14.205 5.226 1.00 0.00 N ATOM 771 CA VAL A 52 -55.815 15.241 6.165 1.00 0.00 C ATOM 772 C VAL A 52 -54.785 16.158 5.503 1.00 0.00 C ATOM 773 O VAL A 52 -53.612 15.804 5.396 1.00 0.00 O ATOM 774 CB VAL A 52 -55.305 14.606 7.461 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.355 13.670 8.063 1.00 0.00 C ATOM 776 CG2 VAL A 52 -53.984 13.871 7.228 1.00 0.00 C ATOM 0 H VAL A 52 -56.028 13.252 5.541 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.672 15.857 6.436 1.00 0.00 H new ATOM 0 HB VAL A 52 -55.121 15.407 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -55.967 13.232 8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.261 14.234 8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.585 12.876 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -53.643 13.429 8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -54.131 13.084 6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.235 14.575 6.866 1.00 0.00 H new ATOM 906 N GLU A 60 -63.612 11.196 0.162 1.00 0.00 N ATOM 907 CA GLU A 60 -64.408 10.373 -0.732 1.00 0.00 C ATOM 908 C GLU A 60 -64.124 8.890 -0.483 1.00 0.00 C ATOM 909 O GLU A 60 -63.024 8.527 -0.068 1.00 0.00 O ATOM 910 CB GLU A 60 -64.150 10.743 -2.194 1.00 0.00 C ATOM 911 CG GLU A 60 -62.720 10.386 -2.606 1.00 0.00 C ATOM 912 CD GLU A 60 -62.615 10.203 -4.121 1.00 0.00 C ATOM 913 OE1 GLU A 60 -63.065 11.124 -4.836 1.00 0.00 O ATOM 914 OE2 GLU A 60 -62.086 9.147 -4.530 1.00 0.00 O ATOM 0 HA GLU A 60 -65.462 10.561 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -64.859 10.219 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.318 11.810 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -62.038 11.172 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.411 9.470 -2.103 1.00 0.00 H new ATOM 921 N TRP A 61 -65.133 8.074 -0.747 1.00 0.00 N ATOM 922 CA TRP A 61 -65.006 6.640 -0.556 1.00 0.00 C ATOM 923 C TRP A 61 -63.924 6.130 -1.511 1.00 0.00 C ATOM 924 O TRP A 61 -63.864 6.548 -2.666 1.00 0.00 O ATOM 925 CB TRP A 61 -66.352 5.939 -0.750 1.00 0.00 C ATOM 926 CG TRP A 61 -67.489 6.535 0.081 1.00 0.00 C ATOM 927 CD1 TRP A 61 -68.299 7.553 -0.239 1.00 0.00 C ATOM 928 CD2 TRP A 61 -67.913 6.105 1.392 1.00 0.00 C ATOM 929 NE1 TRP A 61 -69.210 7.810 0.765 1.00 0.00 N ATOM 930 CE2 TRP A 61 -68.968 6.902 1.789 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.422 5.077 2.216 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.621 6.754 3.018 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -68.084 4.942 3.442 1.00 0.00 C ATOM 934 CH2 TRP A 61 -69.148 5.736 3.855 1.00 0.00 C ATOM 0 H TRP A 61 -66.043 8.379 -1.092 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.704 6.413 0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.624 5.983 -1.804 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -66.242 4.885 -0.493 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -68.246 8.104 -1.167 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.929 8.533 0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.599 4.441 1.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.445 7.390 3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -67.745 4.167 4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -69.608 5.568 4.818 1.00 0.00 H new ATOM 945 N VAL A 62 -63.095 5.236 -0.992 1.00 0.00 N ATOM 946 CA VAL A 62 -62.018 4.666 -1.784 1.00 0.00 C ATOM 947 C VAL A 62 -62.137 3.140 -1.774 1.00 0.00 C ATOM 948 O VAL A 62 -63.001 2.585 -1.097 1.00 0.00 O ATOM 949 CB VAL A 62 -60.668 5.163 -1.266 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.658 6.688 -1.137 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.312 4.498 0.066 1.00 0.00 C ATOM 0 H VAL A 62 -63.147 4.892 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 62 -62.093 4.992 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.907 4.883 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.687 7.015 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.845 7.137 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.436 6.999 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.347 4.869 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -61.077 4.733 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.257 3.418 -0.070 1.00 0.00 H new ATOM 961 N ASP A 63 -61.257 2.505 -2.534 1.00 0.00 N ATOM 962 CA ASP A 63 -61.252 1.055 -2.621 1.00 0.00 C ATOM 963 C ASP A 63 -59.983 0.513 -1.961 1.00 0.00 C ATOM 964 O ASP A 63 -58.964 1.200 -1.908 1.00 0.00 O ATOM 965 CB ASP A 63 -61.261 0.591 -4.079 1.00 0.00 C ATOM 966 CG ASP A 63 -62.554 0.885 -4.843 1.00 0.00 C ATOM 967 OD1 ASP A 63 -63.628 0.722 -4.225 1.00 0.00 O ATOM 968 OD2 ASP A 63 -62.438 1.267 -6.028 1.00 0.00 O ATOM 0 H ASP A 63 -60.542 2.968 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.145 0.684 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.432 1.068 -4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -61.078 -0.483 -4.104 1.00 0.00 H new ATOM 973 N LYS A 64 -60.086 -0.715 -1.474 1.00 0.00 N ATOM 974 CA LYS A 64 -58.959 -1.358 -0.819 1.00 0.00 C ATOM 975 C LYS A 64 -57.711 -1.198 -1.689 1.00 0.00 C ATOM 976 O LYS A 64 -56.653 -0.806 -1.197 1.00 0.00 O ATOM 977 CB LYS A 64 -59.293 -2.812 -0.483 1.00 0.00 C ATOM 978 CG LYS A 64 -60.362 -2.892 0.609 1.00 0.00 C ATOM 979 CD LYS A 64 -60.297 -4.232 1.343 1.00 0.00 C ATOM 980 CE LYS A 64 -59.934 -4.033 2.816 1.00 0.00 C ATOM 981 NZ LYS A 64 -60.410 -5.177 3.626 1.00 0.00 N ATOM 0 H LYS A 64 -60.933 -1.282 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 64 -58.747 -0.876 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -59.644 -3.324 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.392 -3.329 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.223 -2.077 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.350 -2.764 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.259 -4.739 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -59.558 -4.876 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -58.854 -3.931 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -60.379 -3.109 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -60.247 -4.980 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -61.427 -5.320 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -59.891 -6.036 3.352 1.00 0.00 H new ATOM 995 N ASN A 65 -57.874 -1.511 -2.966 1.00 0.00 N ATOM 996 CA ASN A 65 -56.774 -1.407 -3.909 1.00 0.00 C ATOM 997 C ASN A 65 -56.186 0.004 -3.846 1.00 0.00 C ATOM 998 O ASN A 65 -54.970 0.170 -3.759 1.00 0.00 O ATOM 999 CB ASN A 65 -57.250 -1.658 -5.341 1.00 0.00 C ATOM 1000 CG ASN A 65 -56.105 -2.169 -6.218 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -55.155 -1.464 -6.516 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -56.247 -3.431 -6.612 1.00 0.00 N ATOM 0 H ASN A 65 -58.752 -1.837 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 65 -56.028 -2.155 -3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -58.062 -2.386 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -57.651 -0.736 -5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -55.535 -3.865 -7.200 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -57.068 -3.965 -6.326 1.00 0.00 H new ATOM 1009 N ARG A 66 -57.076 0.984 -3.894 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.660 2.375 -3.844 1.00 0.00 C ATOM 1011 C ARG A 66 -55.872 2.648 -2.561 1.00 0.00 C ATOM 1012 O ARG A 66 -55.067 3.577 -2.509 1.00 0.00 O ATOM 1013 CB ARG A 66 -57.868 3.313 -3.902 1.00 0.00 C ATOM 1014 CG ARG A 66 -58.489 3.322 -5.300 1.00 0.00 C ATOM 1015 CD ARG A 66 -59.557 4.411 -5.419 1.00 0.00 C ATOM 1016 NE ARG A 66 -60.637 3.965 -6.327 1.00 0.00 N ATOM 1017 CZ ARG A 66 -61.556 4.781 -6.859 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -61.533 6.091 -6.576 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -62.499 4.288 -7.673 1.00 0.00 N ATOM 0 H ARG A 66 -58.083 0.842 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 66 -56.026 2.563 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.613 2.998 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.562 4.323 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -57.712 3.487 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -58.932 2.349 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -59.968 4.637 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -59.110 5.330 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 66 -60.684 2.974 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -60.816 6.466 -5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -62.233 6.713 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -62.517 3.291 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -63.199 4.910 -8.078 1.00 0.00 H new ATOM 1033 N LEU A 67 -56.131 1.822 -1.559 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.455 1.963 -0.280 1.00 0.00 C ATOM 1035 C LEU A 67 -54.193 1.099 -0.277 1.00 0.00 C ATOM 1036 O LEU A 67 -53.938 0.363 -1.229 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.416 1.652 0.870 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.632 2.571 0.996 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -58.811 1.837 1.637 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.274 3.852 1.753 1.00 0.00 C ATOM 0 H LEU A 67 -56.799 1.053 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 67 -55.136 2.994 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -56.770 0.628 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -55.857 1.692 1.805 1.00 0.00 H new ATOM 0 HG LEU A 67 -57.943 2.865 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.662 2.514 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -59.084 0.980 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.528 1.494 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -58.156 4.488 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -56.923 3.598 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.488 4.384 1.217 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.435 1.218 0.803 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.205 0.457 0.942 1.00 0.00 C ATOM 1054 C ALA A 68 -52.343 -0.518 2.113 1.00 0.00 C ATOM 1055 O ALA A 68 -52.321 -0.108 3.273 1.00 0.00 O ATOM 1056 CB ALA A 68 -51.028 1.418 1.120 1.00 0.00 C ATOM 0 H ALA A 68 -53.649 1.830 1.590 1.00 0.00 H new ATOM 0 HA ALA A 68 -52.014 -0.131 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -50.105 0.848 1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -50.955 2.070 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -51.184 2.023 2.013 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.483 -1.790 1.769 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.624 -2.827 2.777 1.00 0.00 C ATOM 1064 C LEU A 69 -51.384 -3.722 2.760 1.00 0.00 C ATOM 1065 O LEU A 69 -51.260 -4.601 1.909 1.00 0.00 O ATOM 1066 CB LEU A 69 -53.936 -3.590 2.581 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.172 -2.735 2.290 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.172 -3.497 1.418 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -55.809 -2.234 3.588 1.00 0.00 C ATOM 0 H LEU A 69 -52.502 -2.126 0.806 1.00 0.00 H new ATOM 0 HA LEU A 69 -52.684 -2.385 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -53.804 -4.295 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.129 -4.178 3.478 1.00 0.00 H new ATOM 0 HG LEU A 69 -54.856 -1.857 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -57.041 -2.868 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -55.701 -3.763 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.488 -4.404 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.685 -1.629 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.109 -3.086 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.087 -1.630 4.138 1.00 0.00 H new ATOM 1464 N ARG A 94 -15.619 2.358 2.565 1.00 0.00 N ATOM 1465 CA ARG A 94 -14.493 2.891 1.818 1.00 0.00 C ATOM 1466 C ARG A 94 -13.261 2.003 2.009 1.00 0.00 C ATOM 1467 O ARG A 94 -13.113 1.356 3.045 1.00 0.00 O ATOM 1468 CB ARG A 94 -14.160 4.316 2.264 1.00 0.00 C ATOM 1469 CG ARG A 94 -13.708 4.341 3.725 1.00 0.00 C ATOM 1470 CD ARG A 94 -14.304 5.541 4.464 1.00 0.00 C ATOM 1471 NE ARG A 94 -14.011 5.442 5.911 1.00 0.00 N ATOM 1472 CZ ARG A 94 -14.584 4.552 6.734 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -15.483 3.681 6.257 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -14.258 4.535 8.033 1.00 0.00 N ATOM 0 HA ARG A 94 -14.773 2.909 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.374 4.725 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.035 4.954 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.012 3.418 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.620 4.385 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.891 6.467 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.382 5.578 4.305 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.331 6.091 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.732 3.695 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.919 3.004 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.574 5.199 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.694 3.858 8.659 1.00 0.00 H new ATOM 1488 N LYS A 95 -12.409 2.001 0.995 1.00 0.00 N ATOM 1489 CA LYS A 95 -11.196 1.203 1.039 1.00 0.00 C ATOM 1490 C LYS A 95 -10.485 1.437 2.373 1.00 0.00 C ATOM 1491 O LYS A 95 -10.839 2.351 3.117 1.00 0.00 O ATOM 1492 CB LYS A 95 -10.321 1.491 -0.183 1.00 0.00 C ATOM 1493 CG LYS A 95 -10.952 0.923 -1.456 1.00 0.00 C ATOM 1494 CD LYS A 95 -11.609 2.029 -2.284 1.00 0.00 C ATOM 1495 CE LYS A 95 -10.855 2.252 -3.596 1.00 0.00 C ATOM 1496 NZ LYS A 95 -11.702 1.878 -4.751 1.00 0.00 N ATOM 0 H LYS A 95 -12.535 2.539 0.138 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.436 0.141 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.183 2.567 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.332 1.056 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.189 0.422 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.695 0.171 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.645 1.763 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.629 2.955 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.558 3.298 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.940 1.660 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.175 2.036 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.964 0.874 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.563 2.461 -4.753 1.00 0.00 H new ATOM 1510 N ILE A 96 -9.494 0.597 2.635 1.00 0.00 N ATOM 1511 CA ILE A 96 -8.731 0.701 3.867 1.00 0.00 C ATOM 1512 C ILE A 96 -8.084 2.086 3.945 1.00 0.00 C ATOM 1513 O ILE A 96 -8.767 3.080 4.185 1.00 0.00 O ATOM 1514 CB ILE A 96 -7.730 -0.452 3.976 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -8.444 -1.804 3.926 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -6.862 -0.308 5.227 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -9.204 -2.071 5.227 1.00 0.00 C ATOM 0 H ILE A 96 -9.202 -0.158 2.015 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.388 0.606 4.732 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.063 -0.408 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.137 -1.822 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.716 -2.598 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.160 -1.140 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.310 0.631 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.497 -0.312 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.703 -3.038 5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.504 -2.076 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.947 -1.289 5.381 1.00 0.00 H new ATOM 1529 N THR A 97 -6.776 2.105 3.740 1.00 0.00 N ATOM 1530 CA THR A 97 -6.030 3.351 3.784 1.00 0.00 C ATOM 1531 C THR A 97 -4.942 3.360 2.709 1.00 0.00 C ATOM 1532 O THR A 97 -4.304 2.339 2.457 1.00 0.00 O ATOM 1533 CB THR A 97 -5.484 3.525 5.203 1.00 0.00 C ATOM 1534 OG1 THR A 97 -4.792 4.770 5.159 1.00 0.00 O ATOM 1535 CG2 THR A 97 -4.394 2.505 5.540 1.00 0.00 C ATOM 0 H THR A 97 -6.213 1.277 3.543 1.00 0.00 H new ATOM 0 HA THR A 97 -6.671 4.204 3.560 1.00 0.00 H new ATOM 0 HB THR A 97 -6.301 3.434 5.919 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.408 4.962 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.041 2.672 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.801 1.497 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.562 2.618 4.844 1.00 0.00 H new ATOM 1543 N ARG A 98 -4.763 4.525 2.103 1.00 0.00 N ATOM 1544 CA ARG A 98 -3.763 4.681 1.061 1.00 0.00 C ATOM 1545 C ARG A 98 -2.362 4.742 1.674 1.00 0.00 C ATOM 1546 O ARG A 98 -2.151 5.411 2.684 1.00 0.00 O ATOM 1547 CB ARG A 98 -4.010 5.951 0.245 1.00 0.00 C ATOM 1548 CG ARG A 98 -4.247 5.618 -1.230 1.00 0.00 C ATOM 1549 CD ARG A 98 -3.502 6.596 -2.140 1.00 0.00 C ATOM 1550 NE ARG A 98 -3.408 6.043 -3.509 1.00 0.00 N ATOM 1551 CZ ARG A 98 -2.890 6.705 -4.553 1.00 0.00 C ATOM 1552 NH1 ARG A 98 -2.418 7.948 -4.390 1.00 0.00 N ATOM 1553 NH2 ARG A 98 -2.846 6.124 -5.759 1.00 0.00 N ATOM 0 H ARG A 98 -5.294 5.370 2.314 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.837 3.818 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.874 6.482 0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.154 6.619 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.915 4.600 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.314 5.654 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.022 7.554 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.503 6.784 -1.746 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.759 5.099 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.453 8.390 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.024 8.452 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.207 5.178 -5.883 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.452 6.628 -6.554 1.00 0.00 H new ATOM 1567 N ASN A 99 -1.441 4.034 1.037 1.00 0.00 N ATOM 1568 CA ASN A 99 -0.066 3.999 1.507 1.00 0.00 C ATOM 1569 C ASN A 99 0.835 4.697 0.486 1.00 0.00 C ATOM 1570 O ASN A 99 0.525 4.726 -0.704 1.00 0.00 O ATOM 1571 CB ASN A 99 0.425 2.559 1.665 1.00 0.00 C ATOM 1572 CG ASN A 99 1.096 2.355 3.025 1.00 0.00 C ATOM 1573 OD1 ASN A 99 0.819 3.044 3.993 1.00 0.00 O ATOM 1574 ND2 ASN A 99 1.992 1.372 3.044 1.00 0.00 N ATOM 0 H ASN A 99 -1.620 3.480 0.199 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.027 4.501 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.415 1.871 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.130 2.322 0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.495 1.157 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.176 0.834 2.198 1.00 0.00 H new ATOM 1581 N GLN A 100 1.933 5.242 0.989 1.00 0.00 N ATOM 1582 CA GLN A 100 2.881 5.938 0.136 1.00 0.00 C ATOM 1583 C GLN A 100 4.308 5.481 0.445 1.00 0.00 C ATOM 1584 O GLN A 100 4.545 4.810 1.449 1.00 0.00 O ATOM 1585 CB GLN A 100 2.746 7.454 0.288 1.00 0.00 C ATOM 1586 CG GLN A 100 3.160 7.903 1.690 1.00 0.00 C ATOM 1587 CD GLN A 100 2.912 9.401 1.882 1.00 0.00 C ATOM 1588 OE1 GLN A 100 1.864 9.930 1.551 1.00 0.00 O ATOM 1589 NE2 GLN A 100 3.932 10.052 2.433 1.00 0.00 N ATOM 0 H GLN A 100 2.187 5.216 1.976 1.00 0.00 H new ATOM 0 HA GLN A 100 2.657 5.689 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.366 7.954 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.715 7.752 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.600 7.340 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.215 7.682 1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.782 9.548 2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.865 11.056 2.602 1.00 0.00 H new ATOM 1598 N LYS A 101 5.222 5.862 -0.435 1.00 0.00 N ATOM 1599 CA LYS A 101 6.619 5.500 -0.269 1.00 0.00 C ATOM 1600 C LYS A 101 7.489 6.745 -0.452 1.00 0.00 C ATOM 1601 O LYS A 101 7.036 7.749 -0.998 1.00 0.00 O ATOM 1602 CB LYS A 101 6.989 4.348 -1.205 1.00 0.00 C ATOM 1603 CG LYS A 101 7.891 3.335 -0.497 1.00 0.00 C ATOM 1604 CD LYS A 101 9.233 3.197 -1.219 1.00 0.00 C ATOM 1605 CE LYS A 101 10.289 2.579 -0.301 1.00 0.00 C ATOM 1606 NZ LYS A 101 11.592 2.487 -0.998 1.00 0.00 N ATOM 0 H LYS A 101 5.022 6.418 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 101 6.799 5.130 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.083 3.852 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.497 4.739 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.059 3.650 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.394 2.366 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.110 2.577 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.570 4.177 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.394 3.183 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.968 1.587 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.298 2.065 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.491 1.892 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.904 3.439 -1.278 1.00 0.00 H new ATOM 1620 N ARG A 102 8.725 6.639 0.016 1.00 0.00 N ATOM 1621 CA ARG A 102 9.662 7.743 -0.090 1.00 0.00 C ATOM 1622 C ARG A 102 10.992 7.257 -0.670 1.00 0.00 C ATOM 1623 O ARG A 102 11.222 6.054 -0.781 1.00 0.00 O ATOM 1624 CB ARG A 102 9.915 8.384 1.276 1.00 0.00 C ATOM 1625 CG ARG A 102 9.645 9.890 1.234 1.00 0.00 C ATOM 1626 CD ARG A 102 10.183 10.579 2.490 1.00 0.00 C ATOM 1627 NE ARG A 102 9.158 10.560 3.556 1.00 0.00 N ATOM 1628 CZ ARG A 102 8.972 9.538 4.402 1.00 0.00 C ATOM 1629 NH1 ARG A 102 9.741 8.445 4.312 1.00 0.00 N ATOM 1630 NH2 ARG A 102 8.016 9.609 5.339 1.00 0.00 N ATOM 0 H ARG A 102 9.098 5.805 0.469 1.00 0.00 H new ATOM 0 HA ARG A 102 9.222 8.488 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.275 7.917 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.946 8.204 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.112 10.322 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.573 10.069 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.086 10.074 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.461 11.607 2.260 1.00 0.00 H new ATOM 0 HE ARG A 102 8.555 11.377 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.469 8.391 3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.599 7.667 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.430 10.441 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.874 8.831 5.983 1.00 0.00 H new ATOM 1644 N LYS A 103 11.833 8.218 -1.026 1.00 0.00 N ATOM 1645 CA LYS A 103 13.133 7.903 -1.592 1.00 0.00 C ATOM 1646 C LYS A 103 14.209 8.719 -0.873 1.00 0.00 C ATOM 1647 O LYS A 103 13.897 9.552 -0.024 1.00 0.00 O ATOM 1648 CB LYS A 103 13.119 8.103 -3.109 1.00 0.00 C ATOM 1649 CG LYS A 103 12.889 9.573 -3.466 1.00 0.00 C ATOM 1650 CD LYS A 103 14.025 10.110 -4.339 1.00 0.00 C ATOM 1651 CE LYS A 103 14.947 11.029 -3.536 1.00 0.00 C ATOM 1652 NZ LYS A 103 15.187 12.292 -4.269 1.00 0.00 N ATOM 0 H LYS A 103 11.639 9.215 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 103 13.373 6.851 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 103 14.065 7.766 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 103 12.335 7.490 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.940 9.679 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 103 12.816 10.165 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 103 14.600 9.278 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 103 13.610 10.656 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 103 14.500 11.244 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 103 15.895 10.526 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 15.893 12.860 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 15.539 12.078 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 14.298 12.827 -4.339 1.00 0.00 H new ATOM 1666 N HIS A 104 15.453 8.451 -1.240 1.00 0.00 N ATOM 1667 CA HIS A 104 16.577 9.151 -0.641 1.00 0.00 C ATOM 1668 C HIS A 104 17.678 9.344 -1.687 1.00 0.00 C ATOM 1669 O HIS A 104 17.611 8.776 -2.776 1.00 0.00 O ATOM 1670 CB HIS A 104 17.069 8.419 0.609 1.00 0.00 C ATOM 1671 CG HIS A 104 17.116 9.281 1.847 1.00 0.00 C ATOM 1672 ND1 HIS A 104 18.239 10.001 2.218 1.00 0.00 N ATOM 1673 CD2 HIS A 104 16.168 9.534 2.794 1.00 0.00 C ATOM 1674 CE1 HIS A 104 17.968 10.651 3.339 1.00 0.00 C ATOM 1675 NE2 HIS A 104 16.684 10.360 3.695 1.00 0.00 N ATOM 0 H HIS A 104 15.708 7.759 -1.945 1.00 0.00 H new ATOM 0 HA HIS A 104 16.260 10.140 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.418 7.566 0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 104 18.066 8.023 0.417 1.00 0.00 H new ATOM 0 HD2 HIS A 104 15.166 9.130 2.808 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.645 11.298 3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 104 16.200 10.718 4.518 1.00 0.00 H new ATOM 1683 N ASP A 105 18.665 10.147 -1.318 1.00 0.00 N ATOM 1684 CA ASP A 105 19.778 10.423 -2.211 1.00 0.00 C ATOM 1685 C ASP A 105 21.083 10.401 -1.412 1.00 0.00 C ATOM 1686 O ASP A 105 21.063 10.416 -0.183 1.00 0.00 O ATOM 1687 CB ASP A 105 19.640 11.804 -2.854 1.00 0.00 C ATOM 1688 CG ASP A 105 18.239 12.142 -3.365 1.00 0.00 C ATOM 1689 OD1 ASP A 105 17.349 12.323 -2.506 1.00 0.00 O ATOM 1690 OD2 ASP A 105 18.088 12.212 -4.604 1.00 0.00 O ATOM 0 H ASP A 105 18.717 10.615 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 105 19.782 9.662 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.936 12.559 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 105 20.340 11.872 -3.687 1.00 0.00 H new ATOM 1695 N GLU A 106 22.187 10.366 -2.144 1.00 0.00 N ATOM 1696 CA GLU A 106 23.499 10.343 -1.520 1.00 0.00 C ATOM 1697 C GLU A 106 24.409 11.395 -2.157 1.00 0.00 C ATOM 1698 O GLU A 106 24.402 11.571 -3.374 1.00 0.00 O ATOM 1699 CB GLU A 106 24.124 8.949 -1.611 1.00 0.00 C ATOM 1700 CG GLU A 106 25.334 8.829 -0.682 1.00 0.00 C ATOM 1701 CD GLU A 106 26.147 7.573 -1.000 1.00 0.00 C ATOM 1702 OE1 GLU A 106 25.573 6.473 -0.853 1.00 0.00 O ATOM 1703 OE2 GLU A 106 27.325 7.742 -1.384 1.00 0.00 O ATOM 0 H GLU A 106 22.200 10.353 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 106 23.382 10.585 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.382 8.196 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.429 8.749 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.966 9.711 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.999 8.797 0.355 1.00 0.00 H new ATOM 1710 N ILE A 107 25.171 12.065 -1.306 1.00 0.00 N ATOM 1711 CA ILE A 107 26.085 13.095 -1.770 1.00 0.00 C ATOM 1712 C ILE A 107 27.330 12.435 -2.365 1.00 0.00 C ATOM 1713 O ILE A 107 27.463 11.212 -2.335 1.00 0.00 O ATOM 1714 CB ILE A 107 26.392 14.086 -0.645 1.00 0.00 C ATOM 1715 CG1 ILE A 107 27.081 13.387 0.528 1.00 0.00 C ATOM 1716 CG2 ILE A 107 25.127 14.828 -0.208 1.00 0.00 C ATOM 1717 CD1 ILE A 107 28.575 13.715 0.561 1.00 0.00 C ATOM 0 H ILE A 107 25.175 11.915 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 107 25.625 13.683 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 107 27.087 14.833 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 107 26.616 13.697 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 107 26.943 12.309 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 107 25.373 15.526 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 107 24.716 15.377 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 107 24.390 14.110 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 107 29.041 13.205 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 107 29.041 13.382 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 107 28.709 14.791 0.669 1.00 0.00 H new ATOM 1729 N ASN A 108 28.211 13.273 -2.891 1.00 0.00 N ATOM 1730 CA ASN A 108 29.441 12.786 -3.492 1.00 0.00 C ATOM 1731 C ASN A 108 30.558 13.805 -3.255 1.00 0.00 C ATOM 1732 O ASN A 108 30.302 14.915 -2.792 1.00 0.00 O ATOM 1733 CB ASN A 108 29.281 12.603 -5.003 1.00 0.00 C ATOM 1734 CG ASN A 108 28.817 11.184 -5.337 1.00 0.00 C ATOM 1735 OD1 ASN A 108 27.646 10.923 -5.561 1.00 0.00 O ATOM 1736 ND2 ASN A 108 29.797 10.285 -5.359 1.00 0.00 N ATOM 0 H ASN A 108 28.097 14.286 -2.913 1.00 0.00 H new ATOM 0 HA ASN A 108 29.682 11.826 -3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 108 28.560 13.325 -5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 108 30.230 12.806 -5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 108 29.590 9.310 -5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 108 30.756 10.571 -5.162 1.00 0.00 H new ATOM 1743 N HIS A 109 31.773 13.390 -3.583 1.00 0.00 N ATOM 1744 CA HIS A 109 32.929 14.253 -3.411 1.00 0.00 C ATOM 1745 C HIS A 109 34.038 13.822 -4.373 1.00 0.00 C ATOM 1746 O HIS A 109 34.038 12.693 -4.861 1.00 0.00 O ATOM 1747 CB HIS A 109 33.384 14.267 -1.950 1.00 0.00 C ATOM 1748 CG HIS A 109 33.929 15.598 -1.489 1.00 0.00 C ATOM 1749 ND1 HIS A 109 33.152 16.544 -0.845 1.00 0.00 N ATOM 1750 CD2 HIS A 109 35.182 16.129 -1.585 1.00 0.00 C ATOM 1751 CE1 HIS A 109 33.912 17.594 -0.571 1.00 0.00 C ATOM 1752 NE2 HIS A 109 35.170 17.335 -1.031 1.00 0.00 N ATOM 0 H HIS A 109 31.982 12.468 -3.967 1.00 0.00 H new ATOM 0 HA HIS A 109 32.661 15.280 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 109 32.542 13.991 -1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 109 34.151 13.505 -1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 109 36.038 15.649 -2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 109 33.592 18.496 -0.071 1.00 0.00 H new ATOM 0 HE2 HIS A 109 35.970 17.964 -0.961 1.00 0.00 H new ATOM 1760 N VAL A 110 34.957 14.745 -4.617 1.00 0.00 N ATOM 1761 CA VAL A 110 36.069 14.475 -5.512 1.00 0.00 C ATOM 1762 C VAL A 110 37.361 15.007 -4.889 1.00 0.00 C ATOM 1763 O VAL A 110 37.321 15.852 -3.996 1.00 0.00 O ATOM 1764 CB VAL A 110 35.784 15.066 -6.894 1.00 0.00 C ATOM 1765 CG1 VAL A 110 36.403 16.459 -7.033 1.00 0.00 C ATOM 1766 CG2 VAL A 110 36.278 14.134 -8.002 1.00 0.00 C ATOM 0 H VAL A 110 34.954 15.680 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 110 36.194 13.401 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 110 34.704 15.167 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 110 36.186 16.856 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 110 35.982 17.121 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 110 37.482 16.393 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 110 36.063 14.578 -8.974 1.00 0.00 H new ATOM 0 HG22 VAL A 110 37.353 13.986 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 110 35.770 13.173 -7.922 1.00 0.00 H new ATOM 1776 N GLN A 111 38.476 14.491 -5.385 1.00 0.00 N ATOM 1777 CA GLN A 111 39.777 14.904 -4.887 1.00 0.00 C ATOM 1778 C GLN A 111 40.605 15.522 -6.016 1.00 0.00 C ATOM 1779 O GLN A 111 40.138 15.625 -7.149 1.00 0.00 O ATOM 1780 CB GLN A 111 40.517 13.729 -4.244 1.00 0.00 C ATOM 1781 CG GLN A 111 41.078 12.785 -5.310 1.00 0.00 C ATOM 1782 CD GLN A 111 39.958 11.984 -5.977 1.00 0.00 C ATOM 1783 OE1 GLN A 111 39.591 12.455 -7.166 1.00 0.00 O flip ATOM 1784 NE2 GLN A 111 39.460 11.005 -5.448 1.00 0.00 N flip ATOM 0 H GLN A 111 38.505 13.791 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 111 39.626 15.660 -4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 111 41.329 14.103 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 111 39.839 13.182 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 111 41.617 13.360 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 111 41.797 12.103 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 111 39.789 10.697 -4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 111 38.714 10.494 -5.920 1.00 0.00 H new ATOM 1793 N LYS A 112 41.821 15.917 -5.667 1.00 0.00 N ATOM 1794 CA LYS A 112 42.719 16.521 -6.637 1.00 0.00 C ATOM 1795 C LYS A 112 44.166 16.226 -6.239 1.00 0.00 C ATOM 1796 O LYS A 112 44.427 15.768 -5.127 1.00 0.00 O ATOM 1797 CB LYS A 112 42.415 18.012 -6.792 1.00 0.00 C ATOM 1798 CG LYS A 112 42.774 18.503 -8.196 1.00 0.00 C ATOM 1799 CD LYS A 112 43.982 19.441 -8.157 1.00 0.00 C ATOM 1800 CE LYS A 112 43.577 20.837 -7.682 1.00 0.00 C ATOM 1801 NZ LYS A 112 43.637 20.920 -6.206 1.00 0.00 N ATOM 0 H LYS A 112 42.205 15.831 -4.726 1.00 0.00 H new ATOM 0 HA LYS A 112 42.564 16.084 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 112 41.358 18.193 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 112 42.976 18.580 -6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 112 42.992 17.650 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 112 41.921 19.021 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 112 44.742 19.033 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 112 44.429 19.506 -9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 112 44.239 21.583 -8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 112 42.568 21.065 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 43.899 21.886 -5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 42.706 20.682 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 44.348 20.250 -5.849 1.00 0.00 H new ATOM 1829 N TYR A 114 48.635 17.147 -7.575 1.00 0.00 N ATOM 1830 CA TYR A 114 49.555 18.083 -8.198 1.00 0.00 C ATOM 1831 C TYR A 114 51.005 17.630 -8.013 1.00 0.00 C ATOM 1832 O TYR A 114 51.343 17.013 -7.004 1.00 0.00 O ATOM 1833 CB TYR A 114 49.354 19.416 -7.476 1.00 0.00 C ATOM 1834 CG TYR A 114 50.344 20.506 -7.893 1.00 0.00 C ATOM 1835 CD1 TYR A 114 51.651 20.456 -7.453 1.00 0.00 C ATOM 1836 CD2 TYR A 114 49.930 21.538 -8.711 1.00 0.00 C ATOM 1837 CE1 TYR A 114 52.582 21.481 -7.846 1.00 0.00 C ATOM 1838 CE2 TYR A 114 50.862 22.563 -9.104 1.00 0.00 C ATOM 1839 CZ TYR A 114 52.142 22.484 -8.652 1.00 0.00 C ATOM 1840 OH TYR A 114 53.022 23.453 -9.023 1.00 0.00 O ATOM 0 HA TYR A 114 49.363 18.155 -9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 114 48.340 19.770 -7.663 1.00 0.00 H new ATOM 0 HB3 TYR A 114 49.441 19.252 -6.402 1.00 0.00 H new ATOM 0 HD1 TYR A 114 51.975 19.648 -6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 114 48.907 21.577 -9.056 1.00 0.00 H new ATOM 0 HE1 TYR A 114 53.607 21.454 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 114 50.551 23.376 -9.743 1.00 0.00 H new ATOM 0 HH TYR A 114 53.905 23.054 -9.170 1.00 0.00 H new ATOM 1850 N ALA A 115 51.824 17.955 -9.003 1.00 0.00 N ATOM 1851 CA ALA A 115 53.229 17.590 -8.962 1.00 0.00 C ATOM 1852 C ALA A 115 53.989 18.382 -10.029 1.00 0.00 C ATOM 1853 O ALA A 115 54.214 17.886 -11.132 1.00 0.00 O ATOM 1854 CB ALA A 115 53.370 16.078 -9.148 1.00 0.00 C ATOM 0 H ALA A 115 51.541 18.467 -9.838 1.00 0.00 H new ATOM 0 HA ALA A 115 53.662 17.841 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 115 54.425 15.804 -9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 115 52.838 15.562 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 115 52.948 15.789 -10.111 1.00 0.00 H new ATOM 1860 N GLU A 116 54.362 19.599 -9.663 1.00 0.00 N ATOM 1861 CA GLU A 116 55.091 20.464 -10.575 1.00 0.00 C ATOM 1862 C GLU A 116 56.120 21.297 -9.808 1.00 0.00 C ATOM 1863 O GLU A 116 55.876 22.463 -9.501 1.00 0.00 O ATOM 1864 CB GLU A 116 54.134 21.363 -11.361 1.00 0.00 C ATOM 1865 CG GLU A 116 53.847 20.779 -12.746 1.00 0.00 C ATOM 1866 CD GLU A 116 52.658 21.484 -13.402 1.00 0.00 C ATOM 1867 OE1 GLU A 116 52.747 22.721 -13.559 1.00 0.00 O ATOM 1868 OE2 GLU A 116 51.686 20.770 -13.732 1.00 0.00 O ATOM 0 H GLU A 116 54.173 20.007 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 116 55.621 19.838 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 116 53.201 21.477 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.566 22.358 -11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 116 54.729 20.882 -13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.639 19.712 -12.659 1.00 0.00 H new ATOM 1875 N MET A 117 57.249 20.666 -9.521 1.00 0.00 N ATOM 1876 CA MET A 117 58.316 21.334 -8.796 1.00 0.00 C ATOM 1877 C MET A 117 59.645 21.218 -9.545 1.00 0.00 C ATOM 1878 O MET A 117 59.734 20.519 -10.553 1.00 0.00 O ATOM 1879 CB MET A 117 58.457 20.711 -7.406 1.00 0.00 C ATOM 1880 CG MET A 117 57.438 21.306 -6.432 1.00 0.00 C ATOM 1881 SD MET A 117 57.832 23.016 -6.106 1.00 0.00 S ATOM 1882 CE MET A 117 56.238 23.763 -6.401 1.00 0.00 C ATOM 0 H MET A 117 57.448 19.699 -9.778 1.00 0.00 H new ATOM 0 HA MET A 117 58.062 22.390 -8.706 1.00 0.00 H new ATOM 0 HB2 MET A 117 58.316 19.632 -7.471 1.00 0.00 H new ATOM 0 HB3 MET A 117 59.466 20.878 -7.029 1.00 0.00 H new ATOM 0 HG2 MET A 117 56.435 21.229 -6.850 1.00 0.00 H new ATOM 0 HG3 MET A 117 57.439 20.740 -5.501 1.00 0.00 H new ATOM 0 HE1 MET A 117 56.172 24.705 -5.857 1.00 0.00 H new ATOM 0 HE2 MET A 117 56.116 23.950 -7.468 1.00 0.00 H new ATOM 0 HE3 MET A 117 55.452 23.090 -6.058 1.00 0.00 H new ATOM 1892 N ASP A 118 60.645 21.913 -9.023 1.00 0.00 N ATOM 1893 CA ASP A 118 61.965 21.896 -9.630 1.00 0.00 C ATOM 1894 C ASP A 118 63.020 22.151 -8.553 1.00 0.00 C ATOM 1895 O ASP A 118 62.806 22.955 -7.646 1.00 0.00 O ATOM 1896 CB ASP A 118 62.097 22.991 -10.691 1.00 0.00 C ATOM 1897 CG ASP A 118 61.834 24.412 -10.189 1.00 0.00 C ATOM 1898 OD1 ASP A 118 62.814 25.049 -9.745 1.00 0.00 O ATOM 1899 OD2 ASP A 118 60.658 24.831 -10.260 1.00 0.00 O ATOM 0 H ASP A 118 60.568 22.491 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 118 62.109 20.922 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 118 63.102 22.950 -11.111 1.00 0.00 H new ATOM 0 HB3 ASP A 118 61.403 22.774 -11.503 1.00 0.00 H new ATOM 1904 N PRO A 119 64.168 21.434 -8.691 1.00 0.00 N ATOM 1905 CA PRO A 119 65.257 21.575 -7.740 1.00 0.00 C ATOM 1906 C PRO A 119 66.011 22.888 -7.959 1.00 0.00 C ATOM 1907 O PRO A 119 65.992 23.770 -7.102 1.00 0.00 O ATOM 1908 CB PRO A 119 66.127 20.347 -7.954 1.00 0.00 C ATOM 1909 CG PRO A 119 65.753 19.805 -9.324 1.00 0.00 C ATOM 1910 CD PRO A 119 64.457 20.474 -9.752 1.00 0.00 C ATOM 0 HA PRO A 119 64.910 21.626 -6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 119 67.185 20.606 -7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 119 65.950 19.603 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 119 66.545 20.010 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 119 65.629 18.723 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 119 64.567 20.970 -10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 119 63.652 19.747 -9.858 1.00 0.00 H new ATOM 1918 N THR A 120 66.656 22.977 -9.113 1.00 0.00 N ATOM 1919 CA THR A 120 67.414 24.168 -9.457 1.00 0.00 C ATOM 1920 C THR A 120 67.947 24.066 -10.888 1.00 0.00 C ATOM 1921 O THR A 120 68.344 22.990 -11.331 1.00 0.00 O ATOM 1922 CB THR A 120 68.516 24.345 -8.410 1.00 0.00 C ATOM 1923 OG1 THR A 120 69.137 25.578 -8.764 1.00 0.00 O ATOM 1924 CG2 THR A 120 69.633 23.310 -8.554 1.00 0.00 C ATOM 0 H THR A 120 66.669 22.244 -9.822 1.00 0.00 H new ATOM 0 HA THR A 120 66.783 25.057 -9.441 1.00 0.00 H new ATOM 0 HB THR A 120 68.083 24.274 -7.412 1.00 0.00 H new ATOM 0 HG1 THR A 120 69.863 25.771 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 120 70.388 23.481 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 120 69.218 22.309 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 120 70.089 23.402 -9.540 1.00 0.00 H new ATOM 1932 N THR A 121 67.938 25.202 -11.570 1.00 0.00 N ATOM 1933 CA THR A 121 68.415 25.255 -12.941 1.00 0.00 C ATOM 1934 C THR A 121 69.495 26.329 -13.089 1.00 0.00 C ATOM 1935 O THR A 121 69.632 27.199 -12.231 1.00 0.00 O ATOM 1936 CB THR A 121 67.208 25.477 -13.854 1.00 0.00 C ATOM 1937 OG1 THR A 121 66.895 24.175 -14.339 1.00 0.00 O ATOM 1938 CG2 THR A 121 67.564 26.269 -15.114 1.00 0.00 C ATOM 0 H THR A 121 67.608 26.093 -11.198 1.00 0.00 H new ATOM 0 HA THR A 121 68.891 24.318 -13.230 1.00 0.00 H new ATOM 0 HB THR A 121 66.429 26.003 -13.303 1.00 0.00 H new ATOM 0 HG1 THR A 121 66.121 24.226 -14.938 1.00 0.00 H new ATOM 0 HG21 THR A 121 66.672 26.398 -15.727 1.00 0.00 H new ATOM 0 HG22 THR A 121 67.955 27.246 -14.831 1.00 0.00 H new ATOM 0 HG23 THR A 121 68.320 25.727 -15.683 1.00 0.00 H new ATOM 1946 N ALA A 122 70.234 26.233 -14.185 1.00 0.00 N ATOM 1947 CA ALA A 122 71.297 27.185 -14.456 1.00 0.00 C ATOM 1948 C ALA A 122 72.120 26.698 -15.651 1.00 0.00 C ATOM 1949 O ALA A 122 71.939 25.574 -16.116 1.00 0.00 O ATOM 1950 CB ALA A 122 72.148 27.373 -13.199 1.00 0.00 C ATOM 0 H ALA A 122 70.117 25.510 -14.895 1.00 0.00 H new ATOM 0 HA ALA A 122 70.882 28.159 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 122 72.946 28.087 -13.403 1.00 0.00 H new ATOM 0 HB2 ALA A 122 71.523 27.749 -12.389 1.00 0.00 H new ATOM 0 HB3 ALA A 122 72.583 26.417 -12.908 1.00 0.00 H new ATOM 1956 N ALA A 123 73.007 27.567 -16.112 1.00 0.00 N ATOM 1957 CA ALA A 123 73.858 27.240 -17.243 1.00 0.00 C ATOM 1958 C ALA A 123 75.324 27.398 -16.835 1.00 0.00 C ATOM 1959 O ALA A 123 75.619 27.786 -15.706 1.00 0.00 O ATOM 1960 CB ALA A 123 73.486 28.123 -18.435 1.00 0.00 C ATOM 0 H ALA A 123 73.155 28.498 -15.722 1.00 0.00 H new ATOM 0 HA ALA A 123 73.710 26.204 -17.547 1.00 0.00 H new ATOM 0 HB1 ALA A 123 74.125 27.877 -19.283 1.00 0.00 H new ATOM 0 HB2 ALA A 123 72.444 27.951 -18.704 1.00 0.00 H new ATOM 0 HB3 ALA A 123 73.624 29.171 -18.169 1.00 0.00 H new ATOM 1966 N LEU A 124 76.204 27.089 -17.776 1.00 0.00 N ATOM 1967 CA LEU A 124 77.632 27.192 -17.529 1.00 0.00 C ATOM 1968 C LEU A 124 78.129 28.559 -18.001 1.00 0.00 C ATOM 1969 O LEU A 124 77.816 29.582 -17.393 1.00 0.00 O ATOM 1970 CB LEU A 124 78.372 26.014 -18.166 1.00 0.00 C ATOM 1971 CG LEU A 124 77.897 25.598 -19.560 1.00 0.00 C ATOM 1972 CD1 LEU A 124 79.082 25.251 -20.463 1.00 0.00 C ATOM 1973 CD2 LEU A 124 76.887 24.451 -19.474 1.00 0.00 C ATOM 0 H LEU A 124 75.955 26.767 -18.711 1.00 0.00 H new ATOM 0 HA LEU A 124 77.840 27.129 -16.461 1.00 0.00 H new ATOM 0 HB2 LEU A 124 79.431 26.265 -18.225 1.00 0.00 H new ATOM 0 HB3 LEU A 124 78.284 25.154 -17.502 1.00 0.00 H new ATOM 0 HG LEU A 124 77.385 26.446 -20.014 1.00 0.00 H new ATOM 0 HD11 LEU A 124 78.716 24.959 -21.447 1.00 0.00 H new ATOM 0 HD12 LEU A 124 79.732 26.121 -20.561 1.00 0.00 H new ATOM 0 HD13 LEU A 124 79.644 24.426 -20.025 1.00 0.00 H new ATOM 0 HD21 LEU A 124 76.565 24.174 -20.478 1.00 0.00 H new ATOM 0 HD22 LEU A 124 77.353 23.591 -18.992 1.00 0.00 H new ATOM 0 HD23 LEU A 124 76.023 24.770 -18.891 1.00 0.00 H new ATOM 1985 N GLU A 125 78.897 28.534 -19.081 1.00 0.00 N ATOM 1986 CA GLU A 125 79.441 29.759 -19.642 1.00 0.00 C ATOM 1987 C GLU A 125 80.271 29.449 -20.889 1.00 0.00 C ATOM 1988 O GLU A 125 80.634 28.298 -21.127 1.00 0.00 O ATOM 1989 CB GLU A 125 80.272 30.515 -18.604 1.00 0.00 C ATOM 1990 CG GLU A 125 81.491 29.696 -18.176 1.00 0.00 C ATOM 1991 CD GLU A 125 82.791 30.389 -18.593 1.00 0.00 C ATOM 1992 OE1 GLU A 125 82.804 31.638 -18.559 1.00 0.00 O ATOM 1993 OE2 GLU A 125 83.740 29.653 -18.938 1.00 0.00 O ATOM 0 H GLU A 125 79.155 27.684 -19.582 1.00 0.00 H new ATOM 0 HA GLU A 125 78.611 30.402 -19.933 1.00 0.00 H new ATOM 0 HB2 GLU A 125 80.598 31.469 -19.018 1.00 0.00 H new ATOM 0 HB3 GLU A 125 79.656 30.739 -17.733 1.00 0.00 H new ATOM 0 HG2 GLU A 125 81.479 29.557 -17.095 1.00 0.00 H new ATOM 0 HG3 GLU A 125 81.443 28.704 -18.625 1.00 0.00 H new ATOM 2000 N LYS A 126 80.548 30.496 -21.652 1.00 0.00 N ATOM 2001 CA LYS A 126 81.329 30.350 -22.868 1.00 0.00 C ATOM 2002 C LYS A 126 82.728 30.927 -22.643 1.00 0.00 C ATOM 2003 O LYS A 126 82.880 31.963 -21.998 1.00 0.00 O ATOM 2004 CB LYS A 126 80.591 30.971 -24.056 1.00 0.00 C ATOM 2005 CG LYS A 126 81.512 31.088 -25.273 1.00 0.00 C ATOM 2006 CD LYS A 126 80.820 31.838 -26.413 1.00 0.00 C ATOM 2007 CE LYS A 126 81.795 32.111 -27.560 1.00 0.00 C ATOM 2008 NZ LYS A 126 81.164 32.976 -28.582 1.00 0.00 N ATOM 0 H LYS A 126 80.245 31.449 -21.451 1.00 0.00 H new ATOM 0 HA LYS A 126 81.455 29.296 -23.116 1.00 0.00 H new ATOM 0 HB2 LYS A 126 79.724 30.361 -24.309 1.00 0.00 H new ATOM 0 HB3 LYS A 126 80.218 31.958 -23.782 1.00 0.00 H new ATOM 0 HG2 LYS A 126 82.427 31.609 -24.992 1.00 0.00 H new ATOM 0 HG3 LYS A 126 81.803 30.093 -25.611 1.00 0.00 H new ATOM 0 HD2 LYS A 126 79.977 31.253 -26.779 1.00 0.00 H new ATOM 0 HD3 LYS A 126 80.417 32.780 -26.042 1.00 0.00 H new ATOM 0 HE2 LYS A 126 82.694 32.591 -27.174 1.00 0.00 H new ATOM 0 HE3 LYS A 126 82.105 31.170 -28.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 81.839 33.151 -29.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 80.319 32.504 -28.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 80.890 33.881 -28.149 1.00 0.00 H new ATOM 2022 N GLU A 127 83.715 30.232 -23.189 1.00 0.00 N ATOM 2023 CA GLU A 127 85.096 30.662 -23.056 1.00 0.00 C ATOM 2024 C GLU A 127 85.818 30.551 -24.400 1.00 0.00 C ATOM 2025 O GLU A 127 85.782 29.504 -25.045 1.00 0.00 O ATOM 2026 CB GLU A 127 85.821 29.855 -21.977 1.00 0.00 C ATOM 2027 CG GLU A 127 86.924 30.686 -21.319 1.00 0.00 C ATOM 2028 CD GLU A 127 86.482 31.198 -19.947 1.00 0.00 C ATOM 2029 OE1 GLU A 127 85.594 32.078 -19.929 1.00 0.00 O ATOM 2030 OE2 GLU A 127 87.041 30.698 -18.947 1.00 0.00 O ATOM 0 H GLU A 127 83.585 29.374 -23.725 1.00 0.00 H new ATOM 0 HA GLU A 127 85.102 31.707 -22.747 1.00 0.00 H new ATOM 0 HB2 GLU A 127 85.107 29.528 -21.221 1.00 0.00 H new ATOM 0 HB3 GLU A 127 86.252 28.956 -22.418 1.00 0.00 H new ATOM 0 HG2 GLU A 127 87.825 30.081 -21.212 1.00 0.00 H new ATOM 0 HG3 GLU A 127 87.180 31.529 -21.960 1.00 0.00 H new ATOM 2037 N SER A 128 86.458 31.646 -24.784 1.00 0.00 N ATOM 2038 CA SER A 128 87.188 31.685 -26.040 1.00 0.00 C ATOM 2039 C SER A 128 88.437 32.556 -25.893 1.00 0.00 C ATOM 2040 O SER A 128 88.422 33.552 -25.171 1.00 0.00 O ATOM 2041 CB SER A 128 86.305 32.211 -27.174 1.00 0.00 C ATOM 2042 OG SER A 128 85.587 33.381 -26.792 1.00 0.00 O ATOM 0 H SER A 128 86.486 32.513 -24.247 1.00 0.00 H new ATOM 0 HA SER A 128 87.490 30.668 -26.292 1.00 0.00 H new ATOM 0 HB2 SER A 128 86.925 32.433 -28.043 1.00 0.00 H new ATOM 0 HB3 SER A 128 85.601 31.435 -27.475 1.00 0.00 H new ATOM 0 HG SER A 128 85.037 33.687 -27.543 1.00 0.00 H new ATOM 2048 N GLY A 129 89.489 32.149 -26.588 1.00 0.00 N ATOM 2049 CA GLY A 129 90.744 32.880 -26.544 1.00 0.00 C ATOM 2050 C GLY A 129 91.643 32.497 -27.721 1.00 0.00 C ATOM 2051 O GLY A 129 92.314 31.467 -27.686 1.00 0.00 O ATOM 0 H GLY A 129 89.498 31.322 -27.185 1.00 0.00 H new ATOM 0 HA2 GLY A 129 90.546 33.952 -26.567 1.00 0.00 H new ATOM 0 HA3 GLY A 129 91.258 32.671 -25.606 1.00 0.00 H new ATOM 2055 N PRO A 130 91.627 33.370 -28.764 1.00 0.00 N ATOM 2056 CA PRO A 130 92.432 33.135 -29.950 1.00 0.00 C ATOM 2057 C PRO A 130 93.908 33.433 -29.679 1.00 0.00 C ATOM 2058 O PRO A 130 94.299 33.658 -28.535 1.00 0.00 O ATOM 2059 CB PRO A 130 91.831 34.033 -31.018 1.00 0.00 C ATOM 2060 CG PRO A 130 91.014 35.077 -30.274 1.00 0.00 C ATOM 2061 CD PRO A 130 90.844 34.600 -28.841 1.00 0.00 C ATOM 0 HA PRO A 130 92.416 32.093 -30.270 1.00 0.00 H new ATOM 0 HB2 PRO A 130 92.611 34.502 -31.618 1.00 0.00 H new ATOM 0 HB3 PRO A 130 91.204 33.461 -31.702 1.00 0.00 H new ATOM 0 HG2 PRO A 130 91.517 36.044 -30.298 1.00 0.00 H new ATOM 0 HG3 PRO A 130 90.042 35.212 -30.749 1.00 0.00 H new ATOM 0 HD2 PRO A 130 91.205 35.344 -28.131 1.00 0.00 H new ATOM 0 HD3 PRO A 130 89.795 34.417 -28.606 1.00 0.00 H new ATOM 2069 N SER A 131 94.687 33.424 -30.750 1.00 0.00 N ATOM 2070 CA SER A 131 96.111 33.691 -30.642 1.00 0.00 C ATOM 2071 C SER A 131 96.568 34.574 -31.805 1.00 0.00 C ATOM 2072 O SER A 131 95.805 34.823 -32.737 1.00 0.00 O ATOM 2073 CB SER A 131 96.915 32.389 -30.617 1.00 0.00 C ATOM 2074 OG SER A 131 96.664 31.584 -31.766 1.00 0.00 O ATOM 0 H SER A 131 94.359 33.236 -31.697 1.00 0.00 H new ATOM 0 HA SER A 131 96.290 34.216 -29.704 1.00 0.00 H new ATOM 0 HB2 SER A 131 97.979 32.621 -30.562 1.00 0.00 H new ATOM 0 HB3 SER A 131 96.665 31.826 -29.718 1.00 0.00 H new ATOM 0 HG SER A 131 97.197 30.763 -31.713 1.00 0.00 H new ATOM 2080 N SER A 132 97.811 35.024 -31.712 1.00 0.00 N ATOM 2081 CA SER A 132 98.378 35.874 -32.745 1.00 0.00 C ATOM 2082 C SER A 132 99.755 35.348 -33.158 1.00 0.00 C ATOM 2083 O SER A 132 100.269 34.405 -32.557 1.00 0.00 O ATOM 2084 CB SER A 132 98.485 37.323 -32.268 1.00 0.00 C ATOM 2085 OG SER A 132 97.204 37.922 -32.087 1.00 0.00 O ATOM 0 H SER A 132 98.441 34.816 -30.937 1.00 0.00 H new ATOM 0 HA SER A 132 97.714 35.852 -33.609 1.00 0.00 H new ATOM 0 HB2 SER A 132 99.036 37.355 -31.328 1.00 0.00 H new ATOM 0 HB3 SER A 132 99.057 37.902 -32.993 1.00 0.00 H new ATOM 0 HG SER A 132 97.315 38.846 -31.780 1.00 0.00 H new ATOM 2091 N GLY A 133 100.313 35.981 -34.179 1.00 0.00 N ATOM 2092 CA GLY A 133 101.620 35.589 -34.679 1.00 0.00 C ATOM 2093 C GLY A 133 101.520 35.042 -36.104 1.00 0.00 C ATOM 2094 O GLY A 133 102.414 35.261 -36.921 1.00 0.00 O ATOM 0 H GLY A 133 99.884 36.763 -34.674 1.00 0.00 H new ATOM 0 HA2 GLY A 133 102.292 36.447 -34.661 1.00 0.00 H new ATOM 0 HA3 GLY A 133 102.052 34.832 -34.024 1.00 0.00 H new