USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 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 -172:sc= 0.969 USER MOD Set 1.2: A 51 TYR OH : rot 16:sc= 1.82! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0.295 USER MOD Single : A 29 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.19) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00135 USER MOD Single : A 35 GLN : amide:sc= 0.51 K(o=0.51,f=-6.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.5) USER MOD Single : A 41 GLN : amide:sc=-0.00367 X(o=-0.0037,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -1.63 F(o=-3.9!,f=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0.0499 (180deg=0.0307) USER MOD Single : A 65 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.0069) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 50:sc= 0.497 USER MOD Single : A 99 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.65) USER MOD Single : A 100 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -2.15 K(o=-2.2,f=-4.7!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 109 HIS : no HD1:sc= -0.424 X(o=-0.42,f=0.057) USER MOD Single : A 111 GLN :FLIP amide:sc= -1.17 F(o=-1.8,f=-1.2) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0098) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= -0.035 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.553 -3.799 6.359 1.00 0.00 N ATOM 141 CA VAL A 13 -59.395 -2.391 6.684 1.00 0.00 C ATOM 142 C VAL A 13 -60.026 -2.113 8.049 1.00 0.00 C ATOM 143 O VAL A 13 -61.005 -2.755 8.427 1.00 0.00 O ATOM 144 CB VAL A 13 -59.983 -1.527 5.566 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.252 -0.103 6.058 1.00 0.00 C ATOM 146 CG2 VAL A 13 -59.069 -1.521 4.340 1.00 0.00 C ATOM 0 HA VAL A 13 -58.339 -2.132 6.756 1.00 0.00 H new ATOM 0 HB VAL A 13 -60.936 -1.964 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.669 0.490 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -60.960 -0.132 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.318 0.348 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.510 -0.900 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -58.094 -1.120 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -58.951 -2.539 3.969 1.00 0.00 H new ATOM 156 N GLU A 14 -59.440 -1.156 8.753 1.00 0.00 N ATOM 157 CA GLU A 14 -59.932 -0.785 10.069 1.00 0.00 C ATOM 158 C GLU A 14 -60.211 0.718 10.127 1.00 0.00 C ATOM 159 O GLU A 14 -59.485 1.511 9.529 1.00 0.00 O ATOM 160 CB GLU A 14 -58.946 -1.203 11.161 1.00 0.00 C ATOM 161 CG GLU A 14 -58.712 -2.715 11.140 1.00 0.00 C ATOM 162 CD GLU A 14 -57.217 -3.039 11.172 1.00 0.00 C ATOM 163 OE1 GLU A 14 -56.680 -3.126 12.298 1.00 0.00 O ATOM 164 OE2 GLU A 14 -56.646 -3.192 10.071 1.00 0.00 O ATOM 0 H GLU A 14 -58.628 -0.626 8.437 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.867 -1.315 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -57.999 -0.683 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -59.330 -0.905 12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -59.206 -3.175 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -59.162 -3.144 10.244 1.00 0.00 H new ATOM 171 N ILE A 15 -61.264 1.065 10.852 1.00 0.00 N ATOM 172 CA ILE A 15 -61.648 2.459 10.997 1.00 0.00 C ATOM 173 C ILE A 15 -60.868 3.080 12.157 1.00 0.00 C ATOM 174 O ILE A 15 -60.411 2.371 13.053 1.00 0.00 O ATOM 175 CB ILE A 15 -63.166 2.585 11.138 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.886 1.628 10.186 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.616 4.034 10.942 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.570 1.963 8.727 1.00 0.00 C ATOM 0 H ILE A 15 -61.864 0.404 11.346 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.387 3.021 10.100 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.440 2.297 12.153 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.586 0.602 10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -64.962 1.686 10.351 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.699 4.096 11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -63.142 4.667 11.692 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.328 4.373 9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -64.095 1.267 8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -63.894 2.981 8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.496 1.880 8.559 1.00 0.00 H new ATOM 190 N GLY A 16 -60.741 4.398 12.105 1.00 0.00 N ATOM 191 CA GLY A 16 -60.025 5.123 13.141 1.00 0.00 C ATOM 192 C GLY A 16 -58.541 5.252 12.794 1.00 0.00 C ATOM 193 O GLY A 16 -57.864 6.160 13.274 1.00 0.00 O ATOM 0 H GLY A 16 -61.122 4.983 11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.461 6.114 13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -60.136 4.606 14.094 1.00 0.00 H new ATOM 197 N GLU A 17 -58.078 4.329 11.963 1.00 0.00 N ATOM 198 CA GLU A 17 -56.686 4.329 11.546 1.00 0.00 C ATOM 199 C GLU A 17 -56.526 5.093 10.230 1.00 0.00 C ATOM 200 O GLU A 17 -57.505 5.338 9.527 1.00 0.00 O ATOM 201 CB GLU A 17 -56.153 2.900 11.419 1.00 0.00 C ATOM 202 CG GLU A 17 -55.796 2.324 12.791 1.00 0.00 C ATOM 203 CD GLU A 17 -56.685 1.127 13.131 1.00 0.00 C ATOM 204 OE1 GLU A 17 -56.369 0.025 12.631 1.00 0.00 O ATOM 205 OE2 GLU A 17 -57.661 1.340 13.882 1.00 0.00 O ATOM 0 H GLU A 17 -58.642 3.577 11.568 1.00 0.00 H new ATOM 0 HA GLU A 17 -56.097 4.835 12.311 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -56.902 2.270 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -55.272 2.892 10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.750 2.019 12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -55.910 3.094 13.554 1.00 0.00 H new ATOM 212 N THR A 18 -55.283 5.448 9.937 1.00 0.00 N ATOM 213 CA THR A 18 -54.982 6.179 8.718 1.00 0.00 C ATOM 214 C THR A 18 -54.230 5.284 7.731 1.00 0.00 C ATOM 215 O THR A 18 -53.405 4.466 8.134 1.00 0.00 O ATOM 216 CB THR A 18 -54.209 7.442 9.103 1.00 0.00 C ATOM 217 OG1 THR A 18 -55.125 8.177 9.910 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.950 8.358 7.905 1.00 0.00 C ATOM 0 H THR A 18 -54.473 5.243 10.523 1.00 0.00 H new ATOM 0 HA THR A 18 -55.894 6.482 8.204 1.00 0.00 H new ATOM 0 HB THR A 18 -53.259 7.161 9.558 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.704 9.012 10.205 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.399 9.239 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.366 7.822 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.901 8.666 7.470 1.00 0.00 H new ATOM 226 N TYR A 19 -54.542 5.469 6.457 1.00 0.00 N ATOM 227 CA TYR A 19 -53.907 4.689 5.409 1.00 0.00 C ATOM 228 C TYR A 19 -53.472 5.583 4.246 1.00 0.00 C ATOM 229 O TYR A 19 -53.945 6.711 4.115 1.00 0.00 O ATOM 230 CB TYR A 19 -54.969 3.706 4.912 1.00 0.00 C ATOM 231 CG TYR A 19 -55.423 2.695 5.967 1.00 0.00 C ATOM 232 CD1 TYR A 19 -56.092 3.127 7.094 1.00 0.00 C ATOM 233 CD2 TYR A 19 -55.164 1.350 5.791 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.519 2.175 8.086 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.592 0.399 6.783 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.248 0.858 7.882 1.00 0.00 C ATOM 237 OH TYR A 19 -56.652 -0.041 8.819 1.00 0.00 O ATOM 0 H TYR A 19 -55.227 6.149 6.127 1.00 0.00 H new ATOM 0 HA TYR A 19 -53.018 4.186 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.836 4.268 4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.575 3.166 4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.295 4.179 7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.640 1.012 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -57.043 2.500 8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.396 -0.656 6.657 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.392 -0.944 8.540 1.00 0.00 H new ATOM 247 N LEU A 20 -52.577 5.045 3.431 1.00 0.00 N ATOM 248 CA LEU A 20 -52.073 5.780 2.283 1.00 0.00 C ATOM 249 C LEU A 20 -53.021 5.581 1.099 1.00 0.00 C ATOM 250 O LEU A 20 -53.122 4.481 0.558 1.00 0.00 O ATOM 251 CB LEU A 20 -50.626 5.384 1.986 1.00 0.00 C ATOM 252 CG LEU A 20 -49.620 5.622 3.113 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.468 7.116 3.407 1.00 0.00 C ATOM 254 CD2 LEU A 20 -50.001 4.828 4.364 1.00 0.00 C ATOM 0 H LEU A 20 -52.188 4.109 3.543 1.00 0.00 H new ATOM 0 HA LEU A 20 -52.049 6.849 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.606 4.326 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.293 5.935 1.106 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.647 5.258 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.747 7.257 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.117 7.629 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.432 7.528 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.270 5.015 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -50.988 5.139 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -50.017 3.764 4.129 1.00 0.00 H new ATOM 266 N CYS A 21 -53.693 6.662 0.731 1.00 0.00 N ATOM 267 CA CYS A 21 -54.630 6.619 -0.379 1.00 0.00 C ATOM 268 C CYS A 21 -53.888 7.041 -1.649 1.00 0.00 C ATOM 269 O CYS A 21 -53.210 8.067 -1.665 1.00 0.00 O ATOM 270 CB CYS A 21 -55.857 7.494 -0.118 1.00 0.00 C ATOM 271 SG CYS A 21 -57.174 7.103 -1.327 1.00 0.00 S ATOM 0 H CYS A 21 -53.607 7.573 1.182 1.00 0.00 H new ATOM 0 HA CYS A 21 -55.009 5.604 -0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.222 7.329 0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.585 8.547 -0.192 1.00 0.00 H new ATOM 0 HG CYS A 21 -58.139 7.966 -1.212 1.00 0.00 H new ATOM 277 N ARG A 22 -54.044 6.228 -2.684 1.00 0.00 N ATOM 278 CA ARG A 22 -53.397 6.504 -3.956 1.00 0.00 C ATOM 279 C ARG A 22 -53.885 7.840 -4.520 1.00 0.00 C ATOM 280 O ARG A 22 -55.027 8.234 -4.293 1.00 0.00 O ATOM 281 CB ARG A 22 -53.683 5.395 -4.971 1.00 0.00 C ATOM 282 CG ARG A 22 -52.645 5.400 -6.095 1.00 0.00 C ATOM 283 CD ARG A 22 -52.052 4.004 -6.299 1.00 0.00 C ATOM 284 NE ARG A 22 -51.551 3.865 -7.685 1.00 0.00 N ATOM 285 CZ ARG A 22 -52.311 3.498 -8.726 1.00 0.00 C ATOM 286 NH1 ARG A 22 -53.611 3.231 -8.544 1.00 0.00 N ATOM 287 NH2 ARG A 22 -51.771 3.399 -9.948 1.00 0.00 N ATOM 0 H ARG A 22 -54.609 5.379 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.323 6.551 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -53.676 4.427 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -54.680 5.530 -5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -53.108 5.741 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -51.849 6.106 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.240 3.838 -5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -52.809 3.245 -6.099 1.00 0.00 H new ATOM 0 HE ARG A 22 -50.565 4.061 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -54.022 3.307 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -54.190 2.952 -9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -50.781 3.603 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -52.350 3.120 -10.740 1.00 0.00 H new ATOM 376 N TRP A 28 -48.658 8.788 -2.901 1.00 0.00 N ATOM 377 CA TRP A 28 -49.447 8.138 -1.869 1.00 0.00 C ATOM 378 C TRP A 28 -49.616 9.123 -0.711 1.00 0.00 C ATOM 379 O TRP A 28 -48.644 9.479 -0.047 1.00 0.00 O ATOM 380 CB TRP A 28 -48.805 6.816 -1.440 1.00 0.00 C ATOM 381 CG TRP A 28 -49.008 5.674 -2.437 1.00 0.00 C ATOM 382 CD1 TRP A 28 -48.352 5.454 -3.585 1.00 0.00 C ATOM 383 CD2 TRP A 28 -49.962 4.596 -2.328 1.00 0.00 C ATOM 384 NE1 TRP A 28 -48.811 4.319 -4.221 1.00 0.00 N ATOM 385 CE2 TRP A 28 -49.821 3.780 -3.432 1.00 0.00 C ATOM 386 CE3 TRP A 28 -50.912 4.320 -1.329 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -50.598 2.635 -3.643 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.681 3.172 -1.554 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.552 2.340 -2.661 1.00 0.00 C ATOM 0 HA TRP A 28 -50.434 7.874 -2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -47.736 6.973 -1.296 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -49.217 6.520 -0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -47.563 6.086 -3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -48.472 3.944 -5.107 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.039 4.944 -0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -50.469 2.013 -4.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.427 2.914 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -52.185 1.471 -2.763 1.00 0.00 H new ATOM 400 N HIS A 29 -50.857 9.537 -0.505 1.00 0.00 N ATOM 401 CA HIS A 29 -51.166 10.475 0.561 1.00 0.00 C ATOM 402 C HIS A 29 -51.964 9.763 1.656 1.00 0.00 C ATOM 403 O HIS A 29 -52.811 8.920 1.364 1.00 0.00 O ATOM 404 CB HIS A 29 -51.887 11.707 0.009 1.00 0.00 C ATOM 405 CG HIS A 29 -51.081 12.981 0.100 1.00 0.00 C ATOM 406 ND1 HIS A 29 -50.552 13.450 1.290 1.00 0.00 N ATOM 407 CD2 HIS A 29 -50.721 13.878 -0.862 1.00 0.00 C ATOM 408 CE1 HIS A 29 -49.904 14.579 1.043 1.00 0.00 C ATOM 409 NE2 HIS A 29 -50.010 14.843 -0.291 1.00 0.00 N ATOM 0 H HIS A 29 -51.661 9.240 -1.058 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.241 10.837 1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -52.146 11.527 -1.034 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.823 11.841 0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -50.972 13.814 -1.911 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -49.383 15.184 1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -49.609 15.649 -0.771 1.00 0.00 H new ATOM 417 N SER A 30 -51.664 10.127 2.894 1.00 0.00 N ATOM 418 CA SER A 30 -52.342 9.534 4.034 1.00 0.00 C ATOM 419 C SER A 30 -53.768 10.079 4.136 1.00 0.00 C ATOM 420 O SER A 30 -54.014 11.245 3.831 1.00 0.00 O ATOM 421 CB SER A 30 -51.577 9.803 5.331 1.00 0.00 C ATOM 422 OG SER A 30 -51.239 11.180 5.476 1.00 0.00 O ATOM 0 H SER A 30 -50.960 10.826 3.133 1.00 0.00 H new ATOM 0 HA SER A 30 -52.382 8.455 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 30 -52.182 9.487 6.181 1.00 0.00 H new ATOM 0 HB3 SER A 30 -50.667 9.203 5.346 1.00 0.00 H new ATOM 0 HG SER A 30 -50.753 11.311 6.317 1.00 0.00 H new ATOM 428 N ALA A 31 -54.670 9.209 4.567 1.00 0.00 N ATOM 429 CA ALA A 31 -56.065 9.589 4.713 1.00 0.00 C ATOM 430 C ALA A 31 -56.709 8.735 5.807 1.00 0.00 C ATOM 431 O ALA A 31 -56.684 7.507 5.737 1.00 0.00 O ATOM 432 CB ALA A 31 -56.777 9.446 3.367 1.00 0.00 C ATOM 0 H ALA A 31 -54.462 8.243 4.820 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.149 10.633 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.823 9.731 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.299 10.094 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.716 8.411 3.031 1.00 0.00 H new ATOM 438 N GLU A 32 -57.271 9.419 6.793 1.00 0.00 N ATOM 439 CA GLU A 32 -57.921 8.738 7.900 1.00 0.00 C ATOM 440 C GLU A 32 -59.223 8.085 7.432 1.00 0.00 C ATOM 441 O GLU A 32 -60.025 8.715 6.744 1.00 0.00 O ATOM 442 CB GLU A 32 -58.178 9.701 9.061 1.00 0.00 C ATOM 443 CG GLU A 32 -59.280 10.703 8.709 1.00 0.00 C ATOM 444 CD GLU A 32 -59.702 11.508 9.939 1.00 0.00 C ATOM 445 OE1 GLU A 32 -59.958 10.864 10.979 1.00 0.00 O ATOM 446 OE2 GLU A 32 -59.759 12.751 9.812 1.00 0.00 O ATOM 0 H GLU A 32 -57.290 10.437 6.848 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.254 7.955 8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -58.464 9.137 9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.260 10.236 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -58.926 11.380 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.142 10.173 8.303 1.00 0.00 H new ATOM 453 N VAL A 33 -59.392 6.831 7.823 1.00 0.00 N ATOM 454 CA VAL A 33 -60.583 6.085 7.451 1.00 0.00 C ATOM 455 C VAL A 33 -61.737 6.483 8.374 1.00 0.00 C ATOM 456 O VAL A 33 -61.755 6.112 9.546 1.00 0.00 O ATOM 457 CB VAL A 33 -60.289 4.584 7.475 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.552 3.773 7.176 1.00 0.00 C ATOM 459 CG2 VAL A 33 -59.166 4.229 6.498 1.00 0.00 C ATOM 0 H VAL A 33 -58.725 6.312 8.394 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.883 6.327 6.432 1.00 0.00 H new ATOM 0 HB VAL A 33 -59.954 4.325 8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.315 2.709 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.311 3.992 7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.930 4.039 6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.977 3.156 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.461 4.511 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.259 4.767 6.775 1.00 0.00 H new ATOM 469 N ILE A 34 -62.672 7.233 7.809 1.00 0.00 N ATOM 470 CA ILE A 34 -63.827 7.685 8.566 1.00 0.00 C ATOM 471 C ILE A 34 -64.695 6.480 8.932 1.00 0.00 C ATOM 472 O ILE A 34 -64.917 6.204 10.110 1.00 0.00 O ATOM 473 CB ILE A 34 -64.579 8.774 7.797 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.622 9.869 7.322 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.729 9.340 8.632 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.619 11.053 8.291 1.00 0.00 C ATOM 0 H ILE A 34 -62.653 7.539 6.836 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.512 8.147 9.502 1.00 0.00 H new ATOM 0 HB ILE A 34 -65.019 8.323 6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.614 9.463 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -63.916 10.208 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.247 10.112 8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.428 8.540 8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.333 9.772 9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -62.931 11.817 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.623 11.472 8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.301 10.715 9.277 1.00 0.00 H new ATOM 488 N GLN A 35 -65.164 5.793 7.900 1.00 0.00 N ATOM 489 CA GLN A 35 -66.003 4.624 8.098 1.00 0.00 C ATOM 490 C GLN A 35 -65.873 3.669 6.909 1.00 0.00 C ATOM 491 O GLN A 35 -65.040 3.879 6.029 1.00 0.00 O ATOM 492 CB GLN A 35 -67.462 5.027 8.320 1.00 0.00 C ATOM 493 CG GLN A 35 -67.825 4.978 9.805 1.00 0.00 C ATOM 494 CD GLN A 35 -68.253 3.569 10.219 1.00 0.00 C ATOM 495 OE1 GLN A 35 -68.158 2.616 9.463 1.00 0.00 O ATOM 496 NE2 GLN A 35 -68.729 3.490 11.458 1.00 0.00 N ATOM 0 H GLN A 35 -64.978 6.024 6.924 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.663 4.105 8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.628 6.033 7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -68.117 4.359 7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.969 5.292 10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.632 5.682 10.009 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -68.781 4.327 12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -69.042 2.592 11.828 1.00 0.00 H new ATOM 505 N SER A 36 -66.709 2.641 6.922 1.00 0.00 N ATOM 506 CA SER A 36 -66.697 1.654 5.856 1.00 0.00 C ATOM 507 C SER A 36 -68.124 1.395 5.368 1.00 0.00 C ATOM 508 O SER A 36 -69.088 1.674 6.079 1.00 0.00 O ATOM 509 CB SER A 36 -66.050 0.348 6.322 1.00 0.00 C ATOM 510 OG SER A 36 -66.755 -0.237 7.413 1.00 0.00 O ATOM 0 H SER A 36 -67.399 2.470 7.654 1.00 0.00 H new ATOM 0 HA SER A 36 -66.103 2.048 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 36 -66.018 -0.357 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 36 -65.019 0.540 6.618 1.00 0.00 H new ATOM 0 HG SER A 36 -66.312 -1.069 7.680 1.00 0.00 H new ATOM 516 N ARG A 37 -68.213 0.863 4.157 1.00 0.00 N ATOM 517 CA ARG A 37 -69.506 0.563 3.566 1.00 0.00 C ATOM 518 C ARG A 37 -69.348 -0.452 2.431 1.00 0.00 C ATOM 519 O ARG A 37 -68.229 -0.768 2.028 1.00 0.00 O ATOM 520 CB ARG A 37 -70.169 1.829 3.019 1.00 0.00 C ATOM 521 CG ARG A 37 -69.416 2.358 1.797 1.00 0.00 C ATOM 522 CD ARG A 37 -70.177 3.513 1.141 1.00 0.00 C ATOM 523 NE ARG A 37 -70.932 3.019 -0.032 1.00 0.00 N ATOM 524 CZ ARG A 37 -71.366 3.802 -1.030 1.00 0.00 C ATOM 525 NH1 ARG A 37 -71.121 5.119 -1.002 1.00 0.00 N ATOM 526 NH2 ARG A 37 -72.043 3.267 -2.054 1.00 0.00 N ATOM 0 H ARG A 37 -67.411 0.632 3.570 1.00 0.00 H new ATOM 0 HA ARG A 37 -70.139 0.144 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -71.203 1.615 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -70.194 2.595 3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.423 2.695 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -69.276 1.553 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -70.861 3.964 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.479 4.291 0.833 1.00 0.00 H new ATOM 0 HE ARG A 37 -71.135 2.021 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -70.605 5.525 -0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -71.451 5.715 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -72.228 2.264 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -72.373 3.862 -2.813 1.00 0.00 H new ATOM 540 N VAL A 38 -70.484 -0.934 1.949 1.00 0.00 N ATOM 541 CA VAL A 38 -70.485 -1.906 0.869 1.00 0.00 C ATOM 542 C VAL A 38 -71.429 -1.431 -0.238 1.00 0.00 C ATOM 543 O VAL A 38 -72.493 -0.881 0.043 1.00 0.00 O ATOM 544 CB VAL A 38 -70.848 -3.290 1.412 1.00 0.00 C ATOM 545 CG1 VAL A 38 -71.453 -4.168 0.314 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.631 -3.966 2.047 1.00 0.00 C ATOM 0 H VAL A 38 -71.410 -0.670 2.286 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.490 -1.993 0.432 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.601 -3.159 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.702 -5.146 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -72.356 -3.696 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.732 -4.288 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.916 -4.948 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.846 -4.079 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -69.263 -3.353 2.870 1.00 0.00 H new ATOM 556 N ASN A 39 -71.005 -1.662 -1.472 1.00 0.00 N ATOM 557 CA ASN A 39 -71.800 -1.265 -2.622 1.00 0.00 C ATOM 558 C ASN A 39 -72.587 -2.472 -3.134 1.00 0.00 C ATOM 559 O ASN A 39 -71.999 -3.474 -3.541 1.00 0.00 O ATOM 560 CB ASN A 39 -70.908 -0.764 -3.760 1.00 0.00 C ATOM 561 CG ASN A 39 -70.381 0.642 -3.466 1.00 0.00 C ATOM 562 OD1 ASN A 39 -70.107 1.005 -2.334 1.00 0.00 O ATOM 563 ND2 ASN A 39 -70.254 1.409 -4.545 1.00 0.00 N ATOM 0 H ASN A 39 -70.122 -2.119 -1.701 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.470 -0.464 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -70.071 -1.448 -3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -71.472 -0.757 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -69.909 2.364 -4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -70.502 1.042 -5.464 1.00 0.00 H new ATOM 570 N ASP A 40 -73.905 -2.338 -3.097 1.00 0.00 N ATOM 571 CA ASP A 40 -74.778 -3.406 -3.553 1.00 0.00 C ATOM 572 C ASP A 40 -75.000 -3.270 -5.060 1.00 0.00 C ATOM 573 O ASP A 40 -75.408 -4.224 -5.720 1.00 0.00 O ATOM 574 CB ASP A 40 -76.143 -3.332 -2.865 1.00 0.00 C ATOM 575 CG ASP A 40 -76.690 -4.672 -2.368 1.00 0.00 C ATOM 576 OD1 ASP A 40 -75.858 -5.576 -2.141 1.00 0.00 O ATOM 577 OD2 ASP A 40 -77.929 -4.761 -2.227 1.00 0.00 O ATOM 0 H ASP A 40 -74.389 -1.506 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 40 -74.303 -4.357 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -76.070 -2.650 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -76.861 -2.899 -3.561 1.00 0.00 H new ATOM 582 N GLN A 41 -74.722 -2.075 -5.562 1.00 0.00 N ATOM 583 CA GLN A 41 -74.886 -1.802 -6.979 1.00 0.00 C ATOM 584 C GLN A 41 -73.636 -2.230 -7.751 1.00 0.00 C ATOM 585 O GLN A 41 -73.719 -3.036 -8.676 1.00 0.00 O ATOM 586 CB GLN A 41 -75.198 -0.323 -7.219 1.00 0.00 C ATOM 587 CG GLN A 41 -74.585 0.160 -8.535 1.00 0.00 C ATOM 588 CD GLN A 41 -75.068 1.570 -8.880 1.00 0.00 C ATOM 589 OE1 GLN A 41 -74.971 2.497 -8.092 1.00 0.00 O ATOM 590 NE2 GLN A 41 -75.592 1.681 -10.097 1.00 0.00 N ATOM 0 H GLN A 41 -74.384 -1.285 -5.012 1.00 0.00 H new ATOM 0 HA GLN A 41 -75.732 -2.383 -7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -76.278 -0.174 -7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -74.810 0.273 -6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -73.498 0.153 -8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -74.852 -0.527 -9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -75.643 0.865 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -75.943 2.582 -10.421 1.00 0.00 H new ATOM 599 N GLU A 42 -72.506 -1.671 -7.341 1.00 0.00 N ATOM 600 CA GLU A 42 -71.241 -1.986 -7.983 1.00 0.00 C ATOM 601 C GLU A 42 -70.729 -3.347 -7.509 1.00 0.00 C ATOM 602 O GLU A 42 -70.018 -4.036 -8.239 1.00 0.00 O ATOM 603 CB GLU A 42 -70.206 -0.890 -7.720 1.00 0.00 C ATOM 604 CG GLU A 42 -70.166 0.115 -8.873 1.00 0.00 C ATOM 605 CD GLU A 42 -69.185 -0.334 -9.958 1.00 0.00 C ATOM 606 OE1 GLU A 42 -69.415 -1.430 -10.514 1.00 0.00 O ATOM 607 OE2 GLU A 42 -68.226 0.429 -10.207 1.00 0.00 O ATOM 0 H GLU A 42 -72.440 -1.003 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 42 -71.405 -2.036 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -70.446 -0.373 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -69.221 -1.339 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -71.163 0.223 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -69.873 1.095 -8.496 1.00 0.00 H new ATOM 614 N GLY A 43 -71.112 -3.696 -6.289 1.00 0.00 N ATOM 615 CA GLY A 43 -70.701 -4.963 -5.709 1.00 0.00 C ATOM 616 C GLY A 43 -69.222 -4.933 -5.319 1.00 0.00 C ATOM 617 O GLY A 43 -68.436 -5.757 -5.785 1.00 0.00 O ATOM 0 H GLY A 43 -71.703 -3.123 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.308 -5.179 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -70.876 -5.768 -6.423 1.00 0.00 H new ATOM 621 N ARG A 44 -68.886 -3.976 -4.467 1.00 0.00 N ATOM 622 CA ARG A 44 -67.515 -3.828 -4.009 1.00 0.00 C ATOM 623 C ARG A 44 -67.483 -3.135 -2.645 1.00 0.00 C ATOM 624 O ARG A 44 -68.488 -2.578 -2.204 1.00 0.00 O ATOM 625 CB ARG A 44 -66.686 -3.016 -5.006 1.00 0.00 C ATOM 626 CG ARG A 44 -67.182 -1.571 -5.084 1.00 0.00 C ATOM 627 CD ARG A 44 -67.013 -1.008 -6.496 1.00 0.00 C ATOM 628 NE ARG A 44 -65.652 -0.451 -6.659 1.00 0.00 N ATOM 629 CZ ARG A 44 -65.150 -0.021 -7.825 1.00 0.00 C ATOM 630 NH1 ARG A 44 -65.894 -0.083 -8.938 1.00 0.00 N ATOM 631 NH2 ARG A 44 -63.904 0.470 -7.878 1.00 0.00 N ATOM 0 H ARG A 44 -69.540 -3.295 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 44 -67.084 -4.826 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -65.638 -3.029 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -66.743 -3.477 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -68.232 -1.527 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -66.630 -0.955 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -67.184 -1.793 -7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -67.757 -0.232 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 44 -65.058 -0.390 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -66.842 -0.457 -8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -65.512 0.244 -9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -63.338 0.516 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -63.522 0.797 -8.765 1.00 0.00 H new ATOM 645 N GLU A 45 -66.319 -3.191 -2.016 1.00 0.00 N ATOM 646 CA GLU A 45 -66.143 -2.575 -0.711 1.00 0.00 C ATOM 647 C GLU A 45 -65.448 -1.220 -0.854 1.00 0.00 C ATOM 648 O GLU A 45 -64.546 -1.063 -1.675 1.00 0.00 O ATOM 649 CB GLU A 45 -65.361 -3.496 0.228 1.00 0.00 C ATOM 650 CG GLU A 45 -66.094 -4.824 0.430 1.00 0.00 C ATOM 651 CD GLU A 45 -65.162 -5.879 1.029 1.00 0.00 C ATOM 652 OE1 GLU A 45 -64.388 -5.503 1.936 1.00 0.00 O ATOM 653 OE2 GLU A 45 -65.244 -7.037 0.566 1.00 0.00 O ATOM 0 H GLU A 45 -65.488 -3.653 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.127 -2.412 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.369 -3.683 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -65.220 -3.005 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -66.950 -4.674 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -66.483 -5.177 -0.525 1.00 0.00 H new ATOM 660 N GLU A 46 -65.895 -0.273 -0.041 1.00 0.00 N ATOM 661 CA GLU A 46 -65.328 1.064 -0.066 1.00 0.00 C ATOM 662 C GLU A 46 -65.058 1.553 1.358 1.00 0.00 C ATOM 663 O GLU A 46 -65.518 0.946 2.324 1.00 0.00 O ATOM 664 CB GLU A 46 -66.245 2.035 -0.814 1.00 0.00 C ATOM 665 CG GLU A 46 -65.857 2.128 -2.291 1.00 0.00 C ATOM 666 CD GLU A 46 -66.419 3.401 -2.926 1.00 0.00 C ATOM 667 OE1 GLU A 46 -67.663 3.489 -3.015 1.00 0.00 O ATOM 668 OE2 GLU A 46 -65.593 4.257 -3.309 1.00 0.00 O ATOM 0 H GLU A 46 -66.644 -0.406 0.639 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.380 1.025 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.280 1.704 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.186 3.022 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -64.771 2.118 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -66.232 1.255 -2.825 1.00 0.00 H new ATOM 675 N PHE A 47 -64.312 2.645 1.443 1.00 0.00 N ATOM 676 CA PHE A 47 -63.975 3.222 2.734 1.00 0.00 C ATOM 677 C PHE A 47 -63.823 4.741 2.632 1.00 0.00 C ATOM 678 O PHE A 47 -63.028 5.237 1.836 1.00 0.00 O ATOM 679 CB PHE A 47 -62.636 2.615 3.159 1.00 0.00 C ATOM 680 CG PHE A 47 -62.689 1.107 3.411 1.00 0.00 C ATOM 681 CD1 PHE A 47 -62.489 0.238 2.383 1.00 0.00 C ATOM 682 CD2 PHE A 47 -62.935 0.635 4.662 1.00 0.00 C ATOM 683 CE1 PHE A 47 -62.537 -1.161 2.617 1.00 0.00 C ATOM 684 CE2 PHE A 47 -62.984 -0.765 4.896 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.784 -1.634 3.869 1.00 0.00 C ATOM 0 H PHE A 47 -63.932 3.145 0.640 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.765 3.010 3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.895 2.818 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.295 3.113 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -62.294 0.613 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -63.093 1.325 5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -62.377 -1.851 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -63.180 -1.140 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 47 -62.821 -2.699 4.047 1.00 0.00 H new ATOM 695 N TYR A 48 -64.599 5.437 3.450 1.00 0.00 N ATOM 696 CA TYR A 48 -64.562 6.889 3.462 1.00 0.00 C ATOM 697 C TYR A 48 -63.312 7.399 4.184 1.00 0.00 C ATOM 698 O TYR A 48 -63.303 7.519 5.408 1.00 0.00 O ATOM 699 CB TYR A 48 -65.802 7.337 4.238 1.00 0.00 C ATOM 700 CG TYR A 48 -66.280 8.747 3.887 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.452 9.109 2.566 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.540 9.658 4.891 1.00 0.00 C ATOM 703 CE1 TYR A 48 -66.902 10.436 2.236 1.00 0.00 C ATOM 704 CE2 TYR A 48 -66.990 10.985 4.561 1.00 0.00 C ATOM 705 CZ TYR A 48 -67.149 11.309 3.250 1.00 0.00 C ATOM 706 OH TYR A 48 -67.574 12.562 2.938 1.00 0.00 O ATOM 0 H TYR A 48 -65.257 5.022 4.109 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.542 7.281 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.611 6.632 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.586 7.293 5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -66.249 8.397 1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.406 9.375 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -67.040 10.732 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.197 11.707 5.337 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.711 13.075 3.761 1.00 0.00 H new ATOM 716 N VAL A 49 -62.288 7.686 3.394 1.00 0.00 N ATOM 717 CA VAL A 49 -61.036 8.180 3.942 1.00 0.00 C ATOM 718 C VAL A 49 -61.015 9.707 3.857 1.00 0.00 C ATOM 719 O VAL A 49 -61.566 10.289 2.923 1.00 0.00 O ATOM 720 CB VAL A 49 -59.855 7.525 3.222 1.00 0.00 C ATOM 721 CG1 VAL A 49 -60.009 6.003 3.188 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.691 8.091 1.810 1.00 0.00 C ATOM 0 H VAL A 49 -62.300 7.586 2.379 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.947 7.911 4.995 1.00 0.00 H new ATOM 0 HB VAL A 49 -58.950 7.758 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.157 5.563 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -60.053 5.619 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -60.927 5.742 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.845 7.609 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.598 7.903 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.513 9.165 1.867 1.00 0.00 H new ATOM 732 N HIS A 50 -60.373 10.314 4.845 1.00 0.00 N ATOM 733 CA HIS A 50 -60.273 11.763 4.894 1.00 0.00 C ATOM 734 C HIS A 50 -58.819 12.184 4.678 1.00 0.00 C ATOM 735 O HIS A 50 -57.930 11.761 5.415 1.00 0.00 O ATOM 736 CB HIS A 50 -60.860 12.304 6.199 1.00 0.00 C ATOM 737 CG HIS A 50 -60.401 13.700 6.546 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.147 14.212 6.707 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -61.281 14.745 6.770 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -59.254 15.499 7.011 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -60.577 15.832 7.050 1.00 0.00 N flip ATOM 0 H HIS A 50 -59.917 9.829 5.618 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.864 12.200 4.089 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -61.948 12.298 6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.591 11.631 7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -62.358 14.684 6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -58.430 16.172 7.197 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -60.957 16.755 7.258 1.00 0.00 H new ATOM 749 N TYR A 51 -58.621 13.013 3.663 1.00 0.00 N ATOM 750 CA TYR A 51 -57.289 13.497 3.341 1.00 0.00 C ATOM 751 C TYR A 51 -56.918 14.701 4.209 1.00 0.00 C ATOM 752 O TYR A 51 -57.319 15.827 3.919 1.00 0.00 O ATOM 753 CB TYR A 51 -57.343 13.937 1.876 1.00 0.00 C ATOM 754 CG TYR A 51 -57.564 12.788 0.889 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.483 12.087 0.394 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.843 12.454 0.495 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.690 11.006 -0.534 1.00 0.00 C ATOM 758 CE2 TYR A 51 -59.050 11.373 -0.434 1.00 0.00 C ATOM 759 CZ TYR A 51 -57.964 10.703 -0.903 1.00 0.00 C ATOM 760 OH TYR A 51 -58.160 9.682 -1.780 1.00 0.00 O ATOM 0 H TYR A 51 -59.361 13.362 3.053 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.545 12.720 3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -58.145 14.665 1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.411 14.444 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.482 12.349 0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.689 13.003 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -55.853 10.448 -0.928 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -60.046 11.101 -0.751 1.00 0.00 H new ATOM 0 HH TYR A 51 -57.347 9.137 -1.834 1.00 0.00 H new ATOM 770 N VAL A 52 -56.156 14.422 5.256 1.00 0.00 N ATOM 771 CA VAL A 52 -55.726 15.468 6.169 1.00 0.00 C ATOM 772 C VAL A 52 -54.700 16.361 5.467 1.00 0.00 C ATOM 773 O VAL A 52 -54.541 17.527 5.823 1.00 0.00 O ATOM 774 CB VAL A 52 -55.194 14.848 7.462 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.199 13.854 8.048 1.00 0.00 C ATOM 776 CG2 VAL A 52 -53.835 14.184 7.233 1.00 0.00 C ATOM 0 H VAL A 52 -55.825 13.487 5.493 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.568 16.100 6.451 1.00 0.00 H new ATOM 0 HB VAL A 52 -55.056 15.651 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -55.796 13.428 8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.135 14.369 8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.384 13.056 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -53.479 13.751 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -53.936 13.398 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.120 14.929 6.883 1.00 0.00 H new ATOM 906 N GLU A 60 -64.154 11.342 0.912 1.00 0.00 N ATOM 907 CA GLU A 60 -64.615 10.540 -0.209 1.00 0.00 C ATOM 908 C GLU A 60 -64.354 9.056 0.058 1.00 0.00 C ATOM 909 O GLU A 60 -63.545 8.709 0.917 1.00 0.00 O ATOM 910 CB GLU A 60 -63.952 10.988 -1.513 1.00 0.00 C ATOM 911 CG GLU A 60 -62.428 10.911 -1.408 1.00 0.00 C ATOM 912 CD GLU A 60 -61.762 11.495 -2.656 1.00 0.00 C ATOM 913 OE1 GLU A 60 -61.540 12.725 -2.658 1.00 0.00 O ATOM 914 OE2 GLU A 60 -61.491 10.698 -3.580 1.00 0.00 O ATOM 0 HA GLU A 60 -65.690 10.686 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -64.296 10.359 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.253 12.009 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -62.093 11.454 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.121 9.873 -1.279 1.00 0.00 H new ATOM 921 N TRP A 61 -65.053 8.221 -0.695 1.00 0.00 N ATOM 922 CA TRP A 61 -64.907 6.782 -0.551 1.00 0.00 C ATOM 923 C TRP A 61 -63.753 6.332 -1.449 1.00 0.00 C ATOM 924 O TRP A 61 -63.448 6.982 -2.448 1.00 0.00 O ATOM 925 CB TRP A 61 -66.222 6.064 -0.863 1.00 0.00 C ATOM 926 CG TRP A 61 -67.449 6.700 -0.207 1.00 0.00 C ATOM 927 CD1 TRP A 61 -68.231 7.675 -0.692 1.00 0.00 C ATOM 928 CD2 TRP A 61 -68.007 6.364 1.081 1.00 0.00 C ATOM 929 NE1 TRP A 61 -69.248 7.991 0.186 1.00 0.00 N ATOM 930 CE2 TRP A 61 -69.108 7.168 1.298 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.596 5.413 2.030 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.888 7.103 2.459 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -68.386 5.360 3.185 1.00 0.00 C ATOM 934 CH2 TRP A 61 -69.497 6.162 3.419 1.00 0.00 C ATOM 0 H TRP A 61 -65.722 8.513 -1.407 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.669 6.519 0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.368 6.048 -1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -66.144 5.027 -0.536 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -68.084 8.153 -1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.969 8.698 0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.739 4.773 1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.745 7.744 2.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -68.113 4.646 3.948 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -70.056 6.060 4.337 1.00 0.00 H new ATOM 945 N VAL A 62 -63.142 5.222 -1.061 1.00 0.00 N ATOM 946 CA VAL A 62 -62.028 4.678 -1.818 1.00 0.00 C ATOM 947 C VAL A 62 -62.118 3.150 -1.823 1.00 0.00 C ATOM 948 O VAL A 62 -62.992 2.575 -1.177 1.00 0.00 O ATOM 949 CB VAL A 62 -60.705 5.197 -1.250 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.739 6.717 -1.085 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.370 4.509 0.074 1.00 0.00 C ATOM 0 H VAL A 62 -63.398 4.685 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 62 -62.073 5.010 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.916 4.955 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.787 7.060 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.910 7.184 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.544 6.991 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.425 4.896 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -61.162 4.706 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.284 3.434 -0.086 1.00 0.00 H new ATOM 961 N ASP A 63 -61.202 2.537 -2.558 1.00 0.00 N ATOM 962 CA ASP A 63 -61.167 1.088 -2.655 1.00 0.00 C ATOM 963 C ASP A 63 -59.975 0.556 -1.856 1.00 0.00 C ATOM 964 O ASP A 63 -59.044 1.301 -1.554 1.00 0.00 O ATOM 965 CB ASP A 63 -61.002 0.637 -4.107 1.00 0.00 C ATOM 966 CG ASP A 63 -62.288 0.642 -4.936 1.00 0.00 C ATOM 967 OD1 ASP A 63 -62.676 1.746 -5.374 1.00 0.00 O ATOM 968 OD2 ASP A 63 -62.853 -0.459 -5.114 1.00 0.00 O ATOM 0 H ASP A 63 -60.478 3.018 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.107 0.701 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.272 1.285 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -60.587 -0.371 -4.114 1.00 0.00 H new ATOM 973 N LYS A 64 -60.043 -0.728 -1.536 1.00 0.00 N ATOM 974 CA LYS A 64 -58.982 -1.368 -0.779 1.00 0.00 C ATOM 975 C LYS A 64 -57.673 -1.278 -1.567 1.00 0.00 C ATOM 976 O LYS A 64 -56.596 -1.194 -0.980 1.00 0.00 O ATOM 977 CB LYS A 64 -59.378 -2.797 -0.404 1.00 0.00 C ATOM 978 CG LYS A 64 -60.556 -2.802 0.572 1.00 0.00 C ATOM 979 CD LYS A 64 -60.629 -4.125 1.337 1.00 0.00 C ATOM 980 CE LYS A 64 -60.428 -3.904 2.837 1.00 0.00 C ATOM 981 NZ LYS A 64 -61.141 -4.942 3.614 1.00 0.00 N ATOM 0 H LYS A 64 -60.817 -1.342 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 64 -58.822 -0.849 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -59.644 -3.352 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.527 -3.308 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.453 -1.976 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.486 -2.642 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.596 -4.597 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -59.868 -4.809 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -59.365 -3.930 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -60.794 -2.916 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -60.860 -4.882 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -62.167 -4.793 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -60.898 -5.882 3.242 1.00 0.00 H new ATOM 995 N ASN A 65 -57.811 -1.299 -2.884 1.00 0.00 N ATOM 996 CA ASN A 65 -56.653 -1.222 -3.759 1.00 0.00 C ATOM 997 C ASN A 65 -56.082 0.197 -3.717 1.00 0.00 C ATOM 998 O ASN A 65 -54.867 0.380 -3.650 1.00 0.00 O ATOM 999 CB ASN A 65 -57.034 -1.535 -5.207 1.00 0.00 C ATOM 1000 CG ASN A 65 -57.744 -2.887 -5.306 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -57.128 -3.934 -5.417 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -59.071 -2.806 -5.261 1.00 0.00 N ATOM 0 H ASN A 65 -58.707 -1.368 -3.367 1.00 0.00 H new ATOM 0 HA ASN A 65 -55.920 -1.951 -3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -57.683 -0.750 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -56.139 -1.544 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -59.636 -3.653 -5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -59.524 -1.897 -5.167 1.00 0.00 H new ATOM 1009 N ARG A 66 -56.985 1.166 -3.758 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.586 2.563 -3.726 1.00 0.00 C ATOM 1011 C ARG A 66 -55.752 2.848 -2.476 1.00 0.00 C ATOM 1012 O ARG A 66 -54.972 3.799 -2.449 1.00 0.00 O ATOM 1013 CB ARG A 66 -57.808 3.484 -3.737 1.00 0.00 C ATOM 1014 CG ARG A 66 -58.403 3.589 -5.143 1.00 0.00 C ATOM 1015 CD ARG A 66 -59.421 4.728 -5.224 1.00 0.00 C ATOM 1016 NE ARG A 66 -59.638 5.113 -6.636 1.00 0.00 N ATOM 1017 CZ ARG A 66 -60.308 4.365 -7.524 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -60.829 3.188 -7.150 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -60.456 4.793 -8.785 1.00 0.00 N ATOM 0 H ARG A 66 -57.992 1.011 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 66 -55.989 2.759 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.561 3.103 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.524 4.475 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -57.606 3.757 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -58.883 2.648 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -60.364 4.417 -4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -59.065 5.587 -4.655 1.00 0.00 H new ATOM 0 HE ARG A 66 -59.254 6.003 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -60.716 2.862 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -61.339 2.618 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -60.059 5.688 -9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -60.966 4.223 -9.460 1.00 0.00 H new ATOM 1033 N LEU A 67 -55.945 2.007 -1.470 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.220 2.157 -0.220 1.00 0.00 C ATOM 1035 C LEU A 67 -54.009 1.222 -0.222 1.00 0.00 C ATOM 1036 O LEU A 67 -53.822 0.444 -1.157 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.157 1.946 0.971 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.435 2.788 0.977 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -58.630 1.967 1.466 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.245 4.067 1.794 1.00 0.00 C ATOM 0 H LEU A 67 -56.593 1.220 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 67 -54.839 3.173 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -56.439 0.894 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -55.603 2.156 1.886 1.00 0.00 H new ATOM 0 HG LEU A 67 -57.650 3.090 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.525 2.589 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -58.778 1.112 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.439 1.615 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -58.168 4.647 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -56.993 3.808 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.439 4.659 1.361 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.217 1.328 0.835 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.029 0.502 0.966 1.00 0.00 C ATOM 1054 C ALA A 68 -52.253 -0.534 2.070 1.00 0.00 C ATOM 1055 O ALA A 68 -52.225 -0.202 3.254 1.00 0.00 O ATOM 1056 CB ALA A 68 -50.816 1.392 1.241 1.00 0.00 C ATOM 0 H ALA A 68 -53.375 1.974 1.609 1.00 0.00 H new ATOM 0 HA ALA A 68 -51.834 -0.039 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -49.925 0.772 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -50.683 2.091 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -50.975 1.948 2.165 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.472 -1.769 1.642 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.701 -2.856 2.579 1.00 0.00 C ATOM 1064 C LEU A 69 -51.525 -3.833 2.517 1.00 0.00 C ATOM 1065 O LEU A 69 -51.465 -4.682 1.628 1.00 0.00 O ATOM 1066 CB LEU A 69 -54.059 -3.510 2.319 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.240 -2.555 2.139 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.278 -3.141 1.179 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -55.855 -2.182 3.490 1.00 0.00 C ATOM 0 H LEU A 69 -52.496 -2.041 0.659 1.00 0.00 H new ATOM 0 HA LEU A 69 -52.747 -2.476 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -53.977 -4.128 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.282 -4.180 3.149 1.00 0.00 H new ATOM 0 HG LEU A 69 -54.869 -1.634 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -57.107 -2.442 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -55.817 -3.314 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.650 -4.085 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.693 -1.502 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.208 -3.084 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.103 -1.694 4.110 1.00 0.00 H new ATOM 1464 N ARG A 94 -40.669 -36.904 3.319 1.00 0.00 N ATOM 1465 CA ARG A 94 -40.310 -38.156 2.676 1.00 0.00 C ATOM 1466 C ARG A 94 -40.466 -39.321 3.656 1.00 0.00 C ATOM 1467 O ARG A 94 -40.251 -39.159 4.856 1.00 0.00 O ATOM 1468 CB ARG A 94 -38.869 -38.119 2.164 1.00 0.00 C ATOM 1469 CG ARG A 94 -37.893 -37.796 3.297 1.00 0.00 C ATOM 1470 CD ARG A 94 -36.444 -37.866 2.809 1.00 0.00 C ATOM 1471 NE ARG A 94 -35.746 -38.999 3.457 1.00 0.00 N ATOM 1472 CZ ARG A 94 -34.432 -39.236 3.344 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -33.665 -38.420 2.608 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -33.884 -40.288 3.968 1.00 0.00 N ATOM 0 HA ARG A 94 -40.981 -38.297 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -38.612 -39.081 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -38.778 -37.371 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -38.101 -36.800 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -38.038 -38.498 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -36.422 -37.986 1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -35.929 -36.933 3.037 1.00 0.00 H new ATOM 0 HE ARG A 94 -36.300 -39.640 4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -34.081 -37.619 2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -32.665 -38.600 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -34.467 -40.909 4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -32.884 -40.468 3.882 1.00 0.00 H new ATOM 1488 N LYS A 95 -40.838 -40.468 3.108 1.00 0.00 N ATOM 1489 CA LYS A 95 -41.025 -41.659 3.919 1.00 0.00 C ATOM 1490 C LYS A 95 -39.713 -42.444 3.975 1.00 0.00 C ATOM 1491 O LYS A 95 -39.190 -42.861 2.943 1.00 0.00 O ATOM 1492 CB LYS A 95 -42.210 -42.478 3.403 1.00 0.00 C ATOM 1493 CG LYS A 95 -43.100 -42.943 4.557 1.00 0.00 C ATOM 1494 CD LYS A 95 -44.005 -41.809 5.043 1.00 0.00 C ATOM 1495 CE LYS A 95 -43.908 -41.642 6.561 1.00 0.00 C ATOM 1496 NZ LYS A 95 -45.239 -41.342 7.135 1.00 0.00 N ATOM 0 H LYS A 95 -41.015 -40.598 2.112 1.00 0.00 H new ATOM 0 HA LYS A 95 -41.278 -41.386 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -42.796 -41.878 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -41.845 -43.343 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -43.710 -43.786 4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -42.479 -43.296 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -43.722 -40.878 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -45.037 -42.017 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -43.509 -42.552 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -43.212 -40.838 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -45.156 -41.232 8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -45.605 -40.461 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -45.893 -42.122 6.922 1.00 0.00 H new ATOM 1510 N ILE A 96 -39.219 -42.621 5.192 1.00 0.00 N ATOM 1511 CA ILE A 96 -37.978 -43.348 5.396 1.00 0.00 C ATOM 1512 C ILE A 96 -37.996 -44.627 4.556 1.00 0.00 C ATOM 1513 O ILE A 96 -39.036 -45.007 4.020 1.00 0.00 O ATOM 1514 CB ILE A 96 -37.741 -43.596 6.888 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -36.439 -42.941 7.353 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -37.777 -45.092 7.207 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -35.237 -43.518 6.603 1.00 0.00 C ATOM 0 H ILE A 96 -39.656 -42.274 6.046 1.00 0.00 H new ATOM 0 HA ILE A 96 -37.129 -42.755 5.056 1.00 0.00 H new ATOM 0 HB ILE A 96 -38.553 -43.128 7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -36.491 -41.864 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -36.312 -43.096 8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -37.606 -45.241 8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -38.751 -45.499 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -36.999 -45.604 6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -34.324 -43.035 6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -35.174 -44.590 6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -35.355 -43.340 5.534 1.00 0.00 H new ATOM 1529 N THR A 97 -36.833 -45.255 4.467 1.00 0.00 N ATOM 1530 CA THR A 97 -36.703 -46.483 3.700 1.00 0.00 C ATOM 1531 C THR A 97 -36.084 -47.586 4.561 1.00 0.00 C ATOM 1532 O THR A 97 -34.912 -47.923 4.397 1.00 0.00 O ATOM 1533 CB THR A 97 -35.894 -46.170 2.440 1.00 0.00 C ATOM 1534 OG1 THR A 97 -34.679 -45.614 2.936 1.00 0.00 O ATOM 1535 CG2 THR A 97 -36.511 -45.039 1.614 1.00 0.00 C ATOM 0 H THR A 97 -35.972 -44.937 4.913 1.00 0.00 H new ATOM 0 HA THR A 97 -37.677 -46.862 3.392 1.00 0.00 H new ATOM 0 HB THR A 97 -35.817 -47.068 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 97 -34.308 -46.203 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 97 -35.898 -44.857 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 97 -37.517 -45.321 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 97 -36.558 -44.132 2.217 1.00 0.00 H new ATOM 1543 N ARG A 98 -36.898 -48.117 5.461 1.00 0.00 N ATOM 1544 CA ARG A 98 -36.445 -49.175 6.349 1.00 0.00 C ATOM 1545 C ARG A 98 -36.430 -50.516 5.612 1.00 0.00 C ATOM 1546 O ARG A 98 -37.406 -51.264 5.657 1.00 0.00 O ATOM 1547 CB ARG A 98 -37.348 -49.286 7.578 1.00 0.00 C ATOM 1548 CG ARG A 98 -36.529 -49.213 8.869 1.00 0.00 C ATOM 1549 CD ARG A 98 -36.331 -50.605 9.472 1.00 0.00 C ATOM 1550 NE ARG A 98 -35.256 -50.567 10.489 1.00 0.00 N ATOM 1551 CZ ARG A 98 -34.857 -51.630 11.201 1.00 0.00 C ATOM 1552 NH1 ARG A 98 -35.441 -52.821 11.010 1.00 0.00 N ATOM 1553 NH2 ARG A 98 -33.874 -51.502 12.103 1.00 0.00 N ATOM 0 H ARG A 98 -37.869 -47.835 5.595 1.00 0.00 H new ATOM 0 HA ARG A 98 -35.436 -48.925 6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -38.086 -48.484 7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -37.899 -50.226 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -35.559 -48.760 8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -37.035 -48.569 9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -37.260 -50.950 9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -36.076 -51.317 8.687 1.00 0.00 H new ATOM 0 HE ARG A 98 -34.790 -49.676 10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -36.189 -52.918 10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -35.138 -53.630 11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -33.429 -50.595 12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -33.570 -52.311 12.645 1.00 0.00 H new ATOM 1567 N ASN A 99 -35.313 -50.779 4.950 1.00 0.00 N ATOM 1568 CA ASN A 99 -35.159 -52.016 4.204 1.00 0.00 C ATOM 1569 C ASN A 99 -34.443 -53.047 5.079 1.00 0.00 C ATOM 1570 O ASN A 99 -33.428 -52.740 5.703 1.00 0.00 O ATOM 1571 CB ASN A 99 -34.317 -51.799 2.945 1.00 0.00 C ATOM 1572 CG ASN A 99 -32.876 -51.432 3.305 1.00 0.00 C ATOM 1573 OD1 ASN A 99 -32.555 -50.295 3.608 1.00 0.00 O ATOM 1574 ND2 ASN A 99 -32.029 -52.456 3.254 1.00 0.00 N ATOM 0 H ASN A 99 -34.506 -50.156 4.915 1.00 0.00 H new ATOM 0 HA ASN A 99 -36.152 -52.364 3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -34.325 -52.704 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -34.758 -51.006 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -31.044 -52.314 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -32.365 -53.383 2.993 1.00 0.00 H new ATOM 1581 N GLN A 100 -35.000 -54.250 5.097 1.00 0.00 N ATOM 1582 CA GLN A 100 -34.428 -55.328 5.885 1.00 0.00 C ATOM 1583 C GLN A 100 -33.813 -56.387 4.968 1.00 0.00 C ATOM 1584 O GLN A 100 -34.408 -56.759 3.957 1.00 0.00 O ATOM 1585 CB GLN A 100 -35.477 -55.947 6.811 1.00 0.00 C ATOM 1586 CG GLN A 100 -36.675 -56.464 6.013 1.00 0.00 C ATOM 1587 CD GLN A 100 -37.050 -57.884 6.445 1.00 0.00 C ATOM 1588 OE1 GLN A 100 -36.334 -58.842 6.207 1.00 0.00 O ATOM 1589 NE2 GLN A 100 -38.209 -57.964 7.092 1.00 0.00 N ATOM 0 H GLN A 100 -35.841 -54.501 4.578 1.00 0.00 H new ATOM 0 HA GLN A 100 -33.638 -54.914 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -35.031 -56.766 7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -35.811 -55.205 7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -37.527 -55.799 6.157 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -36.439 -56.454 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -38.760 -57.122 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -38.547 -58.868 7.422 1.00 0.00 H new ATOM 1598 N LYS A 101 -32.629 -56.842 5.352 1.00 0.00 N ATOM 1599 CA LYS A 101 -31.928 -57.851 4.577 1.00 0.00 C ATOM 1600 C LYS A 101 -32.049 -59.204 5.281 1.00 0.00 C ATOM 1601 O LYS A 101 -31.740 -59.322 6.466 1.00 0.00 O ATOM 1602 CB LYS A 101 -30.483 -57.419 4.319 1.00 0.00 C ATOM 1603 CG LYS A 101 -30.057 -57.755 2.889 1.00 0.00 C ATOM 1604 CD LYS A 101 -29.018 -58.879 2.875 1.00 0.00 C ATOM 1605 CE LYS A 101 -28.879 -59.479 1.475 1.00 0.00 C ATOM 1606 NZ LYS A 101 -27.574 -60.163 1.331 1.00 0.00 N ATOM 0 H LYS A 101 -32.138 -56.530 6.190 1.00 0.00 H new ATOM 0 HA LYS A 101 -32.384 -57.961 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -30.384 -56.347 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -29.819 -57.916 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -30.929 -58.054 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -29.644 -56.867 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -28.054 -58.492 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -29.309 -59.657 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -29.689 -60.186 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -28.969 -58.693 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -27.496 -60.565 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -26.805 -59.479 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -27.503 -60.926 2.034 1.00 0.00 H new ATOM 1620 N ARG A 102 -32.499 -60.192 4.521 1.00 0.00 N ATOM 1621 CA ARG A 102 -32.665 -61.532 5.057 1.00 0.00 C ATOM 1622 C ARG A 102 -31.666 -62.491 4.407 1.00 0.00 C ATOM 1623 O ARG A 102 -31.375 -62.378 3.217 1.00 0.00 O ATOM 1624 CB ARG A 102 -34.085 -62.049 4.819 1.00 0.00 C ATOM 1625 CG ARG A 102 -34.469 -63.100 5.863 1.00 0.00 C ATOM 1626 CD ARG A 102 -35.434 -64.131 5.275 1.00 0.00 C ATOM 1627 NE ARG A 102 -35.702 -65.197 6.266 1.00 0.00 N ATOM 1628 CZ ARG A 102 -36.523 -66.233 6.051 1.00 0.00 C ATOM 1629 NH1 ARG A 102 -37.161 -66.351 4.878 1.00 0.00 N ATOM 1630 NH2 ARG A 102 -36.706 -67.153 7.008 1.00 0.00 N ATOM 0 H ARG A 102 -32.754 -60.091 3.538 1.00 0.00 H new ATOM 0 HA ARG A 102 -32.483 -61.484 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -34.789 -61.218 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -34.156 -62.480 3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -33.572 -63.602 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -34.931 -62.613 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -36.367 -63.646 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -35.009 -64.564 4.369 1.00 0.00 H new ATOM 0 HE ARG A 102 -35.232 -65.139 7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -37.021 -65.652 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -37.786 -67.140 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -36.220 -67.064 7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -37.331 -67.942 6.844 1.00 0.00 H new ATOM 1644 N LYS A 103 -31.167 -63.414 5.216 1.00 0.00 N ATOM 1645 CA LYS A 103 -30.207 -64.393 4.734 1.00 0.00 C ATOM 1646 C LYS A 103 -30.885 -65.760 4.634 1.00 0.00 C ATOM 1647 O LYS A 103 -31.948 -65.974 5.215 1.00 0.00 O ATOM 1648 CB LYS A 103 -28.954 -64.391 5.612 1.00 0.00 C ATOM 1649 CG LYS A 103 -27.689 -64.524 4.762 1.00 0.00 C ATOM 1650 CD LYS A 103 -26.620 -65.338 5.494 1.00 0.00 C ATOM 1651 CE LYS A 103 -25.692 -66.042 4.502 1.00 0.00 C ATOM 1652 NZ LYS A 103 -24.301 -65.562 4.663 1.00 0.00 N ATOM 0 H LYS A 103 -31.410 -63.505 6.203 1.00 0.00 H new ATOM 0 HA LYS A 103 -29.867 -64.132 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -28.912 -63.468 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -29.005 -65.213 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -27.932 -65.005 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -27.299 -63.534 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -26.037 -64.682 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -27.098 -66.077 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -25.732 -67.120 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -26.031 -65.856 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -23.684 -66.050 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -24.265 -64.537 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -23.975 -65.761 5.630 1.00 0.00 H new ATOM 1666 N HIS A 104 -30.243 -66.651 3.892 1.00 0.00 N ATOM 1667 CA HIS A 104 -30.770 -67.992 3.708 1.00 0.00 C ATOM 1668 C HIS A 104 -29.615 -68.979 3.533 1.00 0.00 C ATOM 1669 O HIS A 104 -28.538 -68.604 3.070 1.00 0.00 O ATOM 1670 CB HIS A 104 -31.764 -68.030 2.545 1.00 0.00 C ATOM 1671 CG HIS A 104 -33.211 -67.984 2.972 1.00 0.00 C ATOM 1672 ND1 HIS A 104 -34.248 -67.754 2.084 1.00 0.00 N ATOM 1673 CD2 HIS A 104 -33.784 -68.142 4.200 1.00 0.00 C ATOM 1674 CE1 HIS A 104 -35.388 -67.774 2.758 1.00 0.00 C ATOM 1675 NE2 HIS A 104 -35.099 -68.014 4.069 1.00 0.00 N ATOM 0 H HIS A 104 -29.362 -66.470 3.411 1.00 0.00 H new ATOM 0 HA HIS A 104 -31.326 -68.292 4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -31.564 -67.188 1.882 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -31.595 -68.938 1.966 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -34.151 -67.596 1.081 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -33.257 -68.338 5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -36.374 -67.626 2.342 1.00 0.00 H new ATOM 1683 N ASP A 105 -29.877 -70.221 3.913 1.00 0.00 N ATOM 1684 CA ASP A 105 -28.872 -71.265 3.804 1.00 0.00 C ATOM 1685 C ASP A 105 -29.562 -72.609 3.570 1.00 0.00 C ATOM 1686 O ASP A 105 -30.715 -72.795 3.958 1.00 0.00 O ATOM 1687 CB ASP A 105 -28.049 -71.373 5.089 1.00 0.00 C ATOM 1688 CG ASP A 105 -26.550 -71.118 4.921 1.00 0.00 C ATOM 1689 OD1 ASP A 105 -26.197 -70.441 3.931 1.00 0.00 O ATOM 1690 OD2 ASP A 105 -25.790 -71.606 5.786 1.00 0.00 O ATOM 0 H ASP A 105 -30.771 -70.528 4.297 1.00 0.00 H new ATOM 0 HA ASP A 105 -28.213 -71.013 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -28.444 -70.663 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -28.188 -72.369 5.509 1.00 0.00 H new ATOM 1695 N GLU A 106 -28.829 -73.513 2.937 1.00 0.00 N ATOM 1696 CA GLU A 106 -29.357 -74.835 2.647 1.00 0.00 C ATOM 1697 C GLU A 106 -28.934 -75.826 3.733 1.00 0.00 C ATOM 1698 O GLU A 106 -27.763 -75.882 4.106 1.00 0.00 O ATOM 1699 CB GLU A 106 -28.908 -75.313 1.264 1.00 0.00 C ATOM 1700 CG GLU A 106 -29.688 -76.557 0.835 1.00 0.00 C ATOM 1701 CD GLU A 106 -30.973 -76.172 0.098 1.00 0.00 C ATOM 1702 OE1 GLU A 106 -30.873 -75.313 -0.805 1.00 0.00 O ATOM 1703 OE2 GLU A 106 -32.025 -76.744 0.454 1.00 0.00 O ATOM 0 H GLU A 106 -27.873 -73.356 2.617 1.00 0.00 H new ATOM 0 HA GLU A 106 -30.445 -74.777 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -29.056 -74.517 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -27.841 -75.536 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -29.066 -77.176 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -29.933 -77.157 1.711 1.00 0.00 H new ATOM 1710 N ILE A 107 -29.911 -76.583 4.211 1.00 0.00 N ATOM 1711 CA ILE A 107 -29.654 -77.569 5.248 1.00 0.00 C ATOM 1712 C ILE A 107 -28.761 -78.675 4.684 1.00 0.00 C ATOM 1713 O ILE A 107 -28.634 -78.816 3.468 1.00 0.00 O ATOM 1714 CB ILE A 107 -30.970 -78.081 5.837 1.00 0.00 C ATOM 1715 CG1 ILE A 107 -31.802 -78.803 4.775 1.00 0.00 C ATOM 1716 CG2 ILE A 107 -31.751 -76.947 6.503 1.00 0.00 C ATOM 1717 CD1 ILE A 107 -31.582 -80.316 4.842 1.00 0.00 C ATOM 0 H ILE A 107 -30.881 -76.534 3.900 1.00 0.00 H new ATOM 0 HA ILE A 107 -29.114 -77.116 6.079 1.00 0.00 H new ATOM 0 HB ILE A 107 -30.736 -78.810 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -32.859 -78.579 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -31.532 -78.436 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.682 -77.338 6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -31.153 -76.516 7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -31.975 -76.177 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -32.185 -80.806 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -30.529 -80.538 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -31.876 -80.683 5.825 1.00 0.00 H new ATOM 1729 N ASN A 108 -28.165 -79.432 5.593 1.00 0.00 N ATOM 1730 CA ASN A 108 -27.287 -80.522 5.202 1.00 0.00 C ATOM 1731 C ASN A 108 -27.408 -81.659 6.218 1.00 0.00 C ATOM 1732 O ASN A 108 -27.681 -81.420 7.393 1.00 0.00 O ATOM 1733 CB ASN A 108 -25.826 -80.069 5.172 1.00 0.00 C ATOM 1734 CG ASN A 108 -25.512 -79.316 3.877 1.00 0.00 C ATOM 1735 OD1 ASN A 108 -25.780 -79.777 2.780 1.00 0.00 O ATOM 1736 ND2 ASN A 108 -24.929 -78.136 4.065 1.00 0.00 N ATOM 0 H ASN A 108 -28.273 -79.312 6.600 1.00 0.00 H new ATOM 0 HA ASN A 108 -27.583 -80.852 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -25.623 -79.427 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -25.171 -80.936 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.678 -77.557 3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -24.732 -77.809 5.011 1.00 0.00 H new ATOM 1743 N HIS A 109 -27.200 -82.872 5.728 1.00 0.00 N ATOM 1744 CA HIS A 109 -27.282 -84.047 6.579 1.00 0.00 C ATOM 1745 C HIS A 109 -26.096 -84.971 6.295 1.00 0.00 C ATOM 1746 O HIS A 109 -25.937 -85.457 5.176 1.00 0.00 O ATOM 1747 CB HIS A 109 -28.632 -84.747 6.409 1.00 0.00 C ATOM 1748 CG HIS A 109 -28.964 -85.719 7.516 1.00 0.00 C ATOM 1749 ND1 HIS A 109 -30.165 -85.691 8.204 1.00 0.00 N ATOM 1750 CD2 HIS A 109 -28.240 -86.747 8.046 1.00 0.00 C ATOM 1751 CE1 HIS A 109 -30.153 -86.661 9.106 1.00 0.00 C ATOM 1752 NE2 HIS A 109 -28.959 -87.314 9.007 1.00 0.00 N ATOM 0 H HIS A 109 -26.975 -83.067 4.752 1.00 0.00 H new ATOM 0 HA HIS A 109 -27.222 -83.747 7.625 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -29.417 -83.992 6.355 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -28.636 -85.280 5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -27.250 -87.048 7.736 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -30.949 -86.894 9.798 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -28.667 -88.107 9.578 1.00 0.00 H new ATOM 1760 N VAL A 110 -25.294 -85.185 7.327 1.00 0.00 N ATOM 1761 CA VAL A 110 -24.127 -86.042 7.203 1.00 0.00 C ATOM 1762 C VAL A 110 -24.499 -87.291 6.402 1.00 0.00 C ATOM 1763 O VAL A 110 -25.675 -87.638 6.297 1.00 0.00 O ATOM 1764 CB VAL A 110 -23.566 -86.366 8.589 1.00 0.00 C ATOM 1765 CG1 VAL A 110 -24.606 -87.092 9.445 1.00 0.00 C ATOM 1766 CG2 VAL A 110 -22.277 -87.183 8.482 1.00 0.00 C ATOM 0 H VAL A 110 -25.429 -84.780 8.253 1.00 0.00 H new ATOM 0 HA VAL A 110 -23.334 -85.530 6.657 1.00 0.00 H new ATOM 0 HB VAL A 110 -23.325 -85.424 9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -24.182 -87.311 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -25.486 -86.459 9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -24.892 -88.024 8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -21.899 -87.400 9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -22.481 -88.118 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -21.531 -86.614 7.928 1.00 0.00 H new ATOM 1776 N GLN A 111 -23.476 -87.932 5.856 1.00 0.00 N ATOM 1777 CA GLN A 111 -23.681 -89.135 5.067 1.00 0.00 C ATOM 1778 C GLN A 111 -22.801 -90.270 5.593 1.00 0.00 C ATOM 1779 O GLN A 111 -21.843 -90.030 6.326 1.00 0.00 O ATOM 1780 CB GLN A 111 -23.409 -88.871 3.585 1.00 0.00 C ATOM 1781 CG GLN A 111 -21.937 -88.528 3.350 1.00 0.00 C ATOM 1782 CD GLN A 111 -21.110 -89.794 3.113 1.00 0.00 C ATOM 1783 OE1 GLN A 111 -20.248 -90.067 4.089 1.00 0.00 O flip ATOM 1784 NE2 GLN A 111 -21.246 -90.476 2.111 1.00 0.00 N flip ATOM 0 H GLN A 111 -22.502 -87.641 5.944 1.00 0.00 H new ATOM 0 HA GLN A 111 -24.724 -89.436 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -23.679 -89.750 3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -24.037 -88.051 3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -21.847 -87.864 2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -21.544 -87.988 4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -21.927 -90.208 1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -20.679 -91.314 1.984 1.00 0.00 H new ATOM 1793 N LYS A 112 -23.157 -91.484 5.196 1.00 0.00 N ATOM 1794 CA LYS A 112 -22.411 -92.657 5.618 1.00 0.00 C ATOM 1795 C LYS A 112 -22.982 -93.896 4.924 1.00 0.00 C ATOM 1796 O LYS A 112 -24.113 -93.874 4.440 1.00 0.00 O ATOM 1797 CB LYS A 112 -22.393 -92.761 7.145 1.00 0.00 C ATOM 1798 CG LYS A 112 -23.239 -93.942 7.624 1.00 0.00 C ATOM 1799 CD LYS A 112 -23.119 -94.124 9.138 1.00 0.00 C ATOM 1800 CE LYS A 112 -23.873 -95.372 9.602 1.00 0.00 C ATOM 1801 NZ LYS A 112 -22.929 -96.381 10.133 1.00 0.00 N ATOM 0 H LYS A 112 -23.952 -91.680 4.587 1.00 0.00 H new ATOM 0 HA LYS A 112 -21.367 -92.573 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -21.367 -92.879 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -22.773 -91.837 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -24.283 -93.779 7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -22.918 -94.853 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -22.068 -94.205 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -23.516 -93.245 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -24.596 -95.102 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -24.436 -95.795 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -23.457 -97.221 10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -22.255 -96.651 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -22.411 -95.980 10.941 1.00 0.00 H new ATOM 1829 N TYR A 114 -22.916 -98.463 5.004 1.00 0.00 N ATOM 1830 CA TYR A 114 -22.627 -99.672 5.756 1.00 0.00 C ATOM 1831 C TYR A 114 -23.541-100.820 5.321 1.00 0.00 C ATOM 1832 O TYR A 114 -24.760-100.665 5.279 1.00 0.00 O ATOM 1833 CB TYR A 114 -22.913 -99.335 7.221 1.00 0.00 C ATOM 1834 CG TYR A 114 -22.479-100.423 8.205 1.00 0.00 C ATOM 1835 CD1 TYR A 114 -23.156-101.625 8.248 1.00 0.00 C ATOM 1836 CD2 TYR A 114 -21.410-100.202 9.050 1.00 0.00 C ATOM 1837 CE1 TYR A 114 -22.747-102.649 9.175 1.00 0.00 C ATOM 1838 CE2 TYR A 114 -21.001-101.226 9.977 1.00 0.00 C ATOM 1839 CZ TYR A 114 -21.690-102.399 9.993 1.00 0.00 C ATOM 1840 OH TYR A 114 -21.304-103.366 10.868 1.00 0.00 O ATOM 0 HA TYR A 114 -21.597 -99.989 5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -22.404 -98.405 7.475 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -23.982 -99.157 7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -23.992-101.798 7.587 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -20.880 -99.261 9.016 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -23.268-103.594 9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -20.167-101.066 10.644 1.00 0.00 H new ATOM 0 HH TYR A 114 -20.536-103.049 11.387 1.00 0.00 H new ATOM 1850 N ALA A 115 -22.915-101.945 5.009 1.00 0.00 N ATOM 1851 CA ALA A 115 -23.657-103.119 4.579 1.00 0.00 C ATOM 1852 C ALA A 115 -22.676-104.251 4.269 1.00 0.00 C ATOM 1853 O ALA A 115 -21.740-104.071 3.491 1.00 0.00 O ATOM 1854 CB ALA A 115 -24.530-102.758 3.376 1.00 0.00 C ATOM 0 H ALA A 115 -21.903-102.069 5.045 1.00 0.00 H new ATOM 0 HA ALA A 115 -24.321-103.466 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -25.087-103.638 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -25.228-101.970 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -23.898-102.409 2.560 1.00 0.00 H new ATOM 1860 N GLU A 116 -22.923-105.393 4.893 1.00 0.00 N ATOM 1861 CA GLU A 116 -22.073-106.555 4.694 1.00 0.00 C ATOM 1862 C GLU A 116 -22.616-107.751 5.478 1.00 0.00 C ATOM 1863 O GLU A 116 -22.613-107.743 6.708 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.627-106.250 5.089 1.00 0.00 C ATOM 1865 CG GLU A 116 -20.519-105.950 6.585 1.00 0.00 C ATOM 1866 CD GLU A 116 -19.773-107.069 7.316 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -20.005-108.241 6.948 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -18.988-106.727 8.227 1.00 0.00 O ATOM 0 H GLU A 116 -23.700-105.539 5.537 1.00 0.00 H new ATOM 0 HA GLU A 116 -22.079-106.808 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.991-107.099 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.262-105.398 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.999-105.004 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.516-105.835 7.010 1.00 0.00 H new ATOM 1875 N MET A 117 -23.069-108.749 4.735 1.00 0.00 N ATOM 1876 CA MET A 117 -23.614-109.950 5.346 1.00 0.00 C ATOM 1877 C MET A 117 -22.694-111.150 5.112 1.00 0.00 C ATOM 1878 O MET A 117 -21.743-111.065 4.337 1.00 0.00 O ATOM 1879 CB MET A 117 -24.995-110.242 4.755 1.00 0.00 C ATOM 1880 CG MET A 117 -26.074-109.405 5.444 1.00 0.00 C ATOM 1881 SD MET A 117 -25.956-107.703 4.919 1.00 0.00 S ATOM 1882 CE MET A 117 -26.049-106.883 6.501 1.00 0.00 C ATOM 0 H MET A 117 -23.070-108.751 3.715 1.00 0.00 H new ATOM 0 HA MET A 117 -23.697-109.783 6.420 1.00 0.00 H new ATOM 0 HB2 MET A 117 -24.990-110.027 3.686 1.00 0.00 H new ATOM 0 HB3 MET A 117 -25.225-111.302 4.866 1.00 0.00 H new ATOM 0 HG2 MET A 117 -27.061-109.800 5.204 1.00 0.00 H new ATOM 0 HG3 MET A 117 -25.960-109.469 6.526 1.00 0.00 H new ATOM 0 HE1 MET A 117 -25.990-105.804 6.356 1.00 0.00 H new ATOM 0 HE2 MET A 117 -26.993-107.132 6.985 1.00 0.00 H new ATOM 0 HE3 MET A 117 -25.221-107.211 7.130 1.00 0.00 H new ATOM 1892 N ASP A 118 -23.010-112.239 5.796 1.00 0.00 N ATOM 1893 CA ASP A 118 -22.224-113.455 5.673 1.00 0.00 C ATOM 1894 C ASP A 118 -22.895-114.391 4.666 1.00 0.00 C ATOM 1895 O ASP A 118 -24.121-114.469 4.606 1.00 0.00 O ATOM 1896 CB ASP A 118 -22.131-114.190 7.012 1.00 0.00 C ATOM 1897 CG ASP A 118 -23.440-114.265 7.800 1.00 0.00 C ATOM 1898 OD1 ASP A 118 -24.194-115.232 7.557 1.00 0.00 O ATOM 1899 OD2 ASP A 118 -23.658-113.353 8.627 1.00 0.00 O ATOM 0 H ASP A 118 -23.800-112.305 6.438 1.00 0.00 H new ATOM 0 HA ASP A 118 -21.223-113.177 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -21.776-115.204 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -21.381-113.696 7.629 1.00 0.00 H new ATOM 1904 N PRO A 119 -22.039-115.096 3.878 1.00 0.00 N ATOM 1905 CA PRO A 119 -22.537-116.024 2.876 1.00 0.00 C ATOM 1906 C PRO A 119 -23.052-117.309 3.527 1.00 0.00 C ATOM 1907 O PRO A 119 -24.213-117.677 3.350 1.00 0.00 O ATOM 1908 CB PRO A 119 -21.361-116.261 1.942 1.00 0.00 C ATOM 1909 CG PRO A 119 -20.124-115.829 2.711 1.00 0.00 C ATOM 1910 CD PRO A 119 -20.582-115.030 3.920 1.00 0.00 C ATOM 0 HA PRO A 119 -23.393-115.632 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -21.296-117.311 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -21.470-115.685 1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -19.547-116.699 3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -19.473-115.225 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -20.193-115.454 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -20.231-113.999 3.870 1.00 0.00 H new ATOM 1918 N THR A 120 -22.164-117.958 4.266 1.00 0.00 N ATOM 1919 CA THR A 120 -22.514-119.194 4.944 1.00 0.00 C ATOM 1920 C THR A 120 -21.455-119.548 5.990 1.00 0.00 C ATOM 1921 O THR A 120 -20.363-118.982 5.988 1.00 0.00 O ATOM 1922 CB THR A 120 -22.705-120.278 3.882 1.00 0.00 C ATOM 1923 OG1 THR A 120 -23.217-121.392 4.609 1.00 0.00 O ATOM 1924 CG2 THR A 120 -21.376-120.783 3.315 1.00 0.00 C ATOM 0 H THR A 120 -21.202-117.651 4.410 1.00 0.00 H new ATOM 0 HA THR A 120 -23.448-119.091 5.496 1.00 0.00 H new ATOM 0 HB THR A 120 -23.321-119.887 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 120 -23.371-122.140 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 120 -21.568-121.551 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 120 -20.838-119.954 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 120 -20.774-121.204 4.120 1.00 0.00 H new ATOM 1932 N THR A 121 -21.816-120.481 6.858 1.00 0.00 N ATOM 1933 CA THR A 121 -20.910-120.917 7.908 1.00 0.00 C ATOM 1934 C THR A 121 -21.316-122.300 8.422 1.00 0.00 C ATOM 1935 O THR A 121 -22.492-122.657 8.389 1.00 0.00 O ATOM 1936 CB THR A 121 -20.897-119.843 8.997 1.00 0.00 C ATOM 1937 OG1 THR A 121 -19.840-120.243 9.866 1.00 0.00 O ATOM 1938 CG2 THR A 121 -22.145-119.890 9.881 1.00 0.00 C ATOM 0 H THR A 121 -22.723-120.947 6.856 1.00 0.00 H new ATOM 0 HA THR A 121 -19.893-121.031 7.532 1.00 0.00 H new ATOM 0 HB THR A 121 -20.817-118.859 8.535 1.00 0.00 H new ATOM 0 HG1 THR A 121 -19.760-119.600 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 121 -22.085-119.107 10.637 1.00 0.00 H new ATOM 0 HG22 THR A 121 -23.032-119.734 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 121 -22.208-120.862 10.370 1.00 0.00 H new ATOM 1946 N ALA A 122 -20.319-123.039 8.886 1.00 0.00 N ATOM 1947 CA ALA A 122 -20.557-124.374 9.407 1.00 0.00 C ATOM 1948 C ALA A 122 -19.262-124.920 10.011 1.00 0.00 C ATOM 1949 O ALA A 122 -18.212-124.286 9.914 1.00 0.00 O ATOM 1950 CB ALA A 122 -21.101-125.269 8.291 1.00 0.00 C ATOM 0 H ALA A 122 -19.345-122.738 8.912 1.00 0.00 H new ATOM 0 HA ALA A 122 -21.306-124.348 10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -21.279-126.271 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -22.036-124.854 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -20.375-125.320 7.479 1.00 0.00 H new ATOM 1956 N ALA A 123 -19.379-126.090 10.623 1.00 0.00 N ATOM 1957 CA ALA A 123 -18.230-126.728 11.243 1.00 0.00 C ATOM 1958 C ALA A 123 -18.041-128.122 10.644 1.00 0.00 C ATOM 1959 O ALA A 123 -18.796-128.531 9.763 1.00 0.00 O ATOM 1960 CB ALA A 123 -18.425-126.766 12.760 1.00 0.00 C ATOM 0 H ALA A 123 -20.252-126.612 10.703 1.00 0.00 H new ATOM 0 HA ALA A 123 -17.322-126.159 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -17.563-127.244 13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -18.525-125.749 13.140 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.326-127.332 12.997 1.00 0.00 H new ATOM 1966 N LEU A 124 -17.029-128.815 11.145 1.00 0.00 N ATOM 1967 CA LEU A 124 -16.731-130.156 10.670 1.00 0.00 C ATOM 1968 C LEU A 124 -17.073-131.168 11.765 1.00 0.00 C ATOM 1969 O LEU A 124 -18.245-131.387 12.069 1.00 0.00 O ATOM 1970 CB LEU A 124 -15.284-130.242 10.183 1.00 0.00 C ATOM 1971 CG LEU A 124 -14.899-129.289 9.050 1.00 0.00 C ATOM 1972 CD1 LEU A 124 -13.436-129.481 8.644 1.00 0.00 C ATOM 1973 CD2 LEU A 124 -15.849-129.441 7.860 1.00 0.00 C ATOM 0 H LEU A 124 -16.405-128.473 11.875 1.00 0.00 H new ATOM 0 HA LEU A 124 -17.349-130.400 9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -14.625-130.052 11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -15.093-131.263 9.853 1.00 0.00 H new ATOM 0 HG LEU A 124 -15.000-128.267 9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -13.189-128.791 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -12.792-129.283 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -13.284-130.506 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -15.554-128.753 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -15.804-130.464 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -16.867-129.215 8.176 1.00 0.00 H new ATOM 1985 N GLU A 125 -16.029-131.757 12.329 1.00 0.00 N ATOM 1986 CA GLU A 125 -16.204-132.741 13.384 1.00 0.00 C ATOM 1987 C GLU A 125 -14.843-133.228 13.886 1.00 0.00 C ATOM 1988 O GLU A 125 -14.035-133.733 13.108 1.00 0.00 O ATOM 1989 CB GLU A 125 -17.063-133.912 12.904 1.00 0.00 C ATOM 1990 CG GLU A 125 -17.735-134.619 14.083 1.00 0.00 C ATOM 1991 CD GLU A 125 -19.178-134.999 13.745 1.00 0.00 C ATOM 1992 OE1 GLU A 125 -19.826-134.196 13.040 1.00 0.00 O ATOM 1993 OE2 GLU A 125 -19.600-136.085 14.199 1.00 0.00 O ATOM 0 H GLU A 125 -15.059-131.572 12.075 1.00 0.00 H new ATOM 0 HA GLU A 125 -16.727-132.266 14.214 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.823-133.550 12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.443-134.621 12.355 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.171-135.515 14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -17.722-133.968 14.957 1.00 0.00 H new ATOM 2000 N LYS A 126 -14.632-133.061 15.183 1.00 0.00 N ATOM 2001 CA LYS A 126 -13.384-133.477 15.798 1.00 0.00 C ATOM 2002 C LYS A 126 -13.645-134.676 16.712 1.00 0.00 C ATOM 2003 O LYS A 126 -14.186-134.521 17.806 1.00 0.00 O ATOM 2004 CB LYS A 126 -12.716-132.298 16.508 1.00 0.00 C ATOM 2005 CG LYS A 126 -11.594-131.706 15.652 1.00 0.00 C ATOM 2006 CD LYS A 126 -10.231-132.250 16.084 1.00 0.00 C ATOM 2007 CE LYS A 126 -9.449-132.785 14.883 1.00 0.00 C ATOM 2008 NZ LYS A 126 -9.673-134.240 14.725 1.00 0.00 N ATOM 0 H LYS A 126 -15.305-132.643 15.825 1.00 0.00 H new ATOM 0 HA LYS A 126 -12.676-133.803 15.036 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -13.459-131.530 16.722 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -12.313-132.627 17.466 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -11.768-131.943 14.603 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -11.600-130.619 15.739 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -9.659-131.461 16.573 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -10.368-133.045 16.817 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.759-132.263 13.978 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -8.385-132.587 15.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -9.615-134.493 13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -8.947-134.763 15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -10.614-134.488 15.091 1.00 0.00 H new ATOM 2022 N GLU A 127 -13.250-135.845 16.229 1.00 0.00 N ATOM 2023 CA GLU A 127 -13.435-137.070 16.988 1.00 0.00 C ATOM 2024 C GLU A 127 -12.371-138.099 16.603 1.00 0.00 C ATOM 2025 O GLU A 127 -11.696-137.949 15.586 1.00 0.00 O ATOM 2026 CB GLU A 127 -14.843-137.634 16.785 1.00 0.00 C ATOM 2027 CG GLU A 127 -15.468-138.042 18.120 1.00 0.00 C ATOM 2028 CD GLU A 127 -16.912-137.546 18.223 1.00 0.00 C ATOM 2029 OE1 GLU A 127 -17.126-136.353 17.916 1.00 0.00 O ATOM 2030 OE2 GLU A 127 -17.769-138.371 18.608 1.00 0.00 O ATOM 0 H GLU A 127 -12.802-135.970 15.321 1.00 0.00 H new ATOM 0 HA GLU A 127 -13.322-136.838 18.047 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -15.471-136.888 16.299 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -14.801-138.497 16.120 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -15.444-139.127 18.220 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -14.880-137.633 18.941 1.00 0.00 H new ATOM 2037 N SER A 128 -12.254-139.123 17.437 1.00 0.00 N ATOM 2038 CA SER A 128 -11.283-140.177 17.196 1.00 0.00 C ATOM 2039 C SER A 128 -11.706-141.454 17.924 1.00 0.00 C ATOM 2040 O SER A 128 -12.619-141.430 18.748 1.00 0.00 O ATOM 2041 CB SER A 128 -9.884-139.749 17.643 1.00 0.00 C ATOM 2042 OG SER A 128 -9.887-139.203 18.959 1.00 0.00 O ATOM 0 H SER A 128 -12.815-139.245 18.280 1.00 0.00 H new ATOM 0 HA SER A 128 -11.248-140.372 16.124 1.00 0.00 H new ATOM 0 HB2 SER A 128 -9.214-140.608 17.609 1.00 0.00 H new ATOM 0 HB3 SER A 128 -9.491-139.010 16.945 1.00 0.00 H new ATOM 0 HG SER A 128 -8.975-138.944 19.208 1.00 0.00 H new ATOM 2048 N GLY A 129 -11.021-142.539 17.595 1.00 0.00 N ATOM 2049 CA GLY A 129 -11.315-143.824 18.207 1.00 0.00 C ATOM 2050 C GLY A 129 -10.187-144.825 17.949 1.00 0.00 C ATOM 2051 O GLY A 129 -10.117-145.424 16.877 1.00 0.00 O ATOM 0 H GLY A 129 -10.263-142.555 16.913 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -11.454-143.696 19.281 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -12.251-144.215 17.809 1.00 0.00 H new ATOM 2055 N PRO A 130 -9.309-144.979 18.976 1.00 0.00 N ATOM 2056 CA PRO A 130 -8.187-145.897 18.871 1.00 0.00 C ATOM 2057 C PRO A 130 -8.652-147.348 19.005 1.00 0.00 C ATOM 2058 O PRO A 130 -9.847-147.611 19.134 1.00 0.00 O ATOM 2059 CB PRO A 130 -7.230-145.476 19.974 1.00 0.00 C ATOM 2060 CG PRO A 130 -8.052-144.645 20.946 1.00 0.00 C ATOM 2061 CD PRO A 130 -9.360-144.286 20.260 1.00 0.00 C ATOM 0 HA PRO A 130 -7.697-145.853 17.898 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -6.800-146.346 20.471 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -6.400-144.897 19.570 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -8.242-145.205 21.862 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.510-143.743 21.231 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.218-144.609 20.850 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.453-143.208 20.125 1.00 0.00 H new ATOM 2069 N SER A 131 -7.684-148.252 18.970 1.00 0.00 N ATOM 2070 CA SER A 131 -7.979-149.670 19.086 1.00 0.00 C ATOM 2071 C SER A 131 -7.064-150.311 20.131 1.00 0.00 C ATOM 2072 O SER A 131 -6.147-149.666 20.638 1.00 0.00 O ATOM 2073 CB SER A 131 -7.824-150.377 17.738 1.00 0.00 C ATOM 2074 OG SER A 131 -8.330-151.709 17.773 1.00 0.00 O ATOM 0 H SER A 131 -6.694-148.030 18.863 1.00 0.00 H new ATOM 0 HA SER A 131 -9.016-149.779 19.405 1.00 0.00 H new ATOM 0 HB2 SER A 131 -8.348-149.810 16.969 1.00 0.00 H new ATOM 0 HB3 SER A 131 -6.771-150.396 17.458 1.00 0.00 H new ATOM 0 HG SER A 131 -8.214-152.126 16.894 1.00 0.00 H new ATOM 2080 N SER A 132 -7.344-151.573 20.421 1.00 0.00 N ATOM 2081 CA SER A 132 -6.556-152.309 21.396 1.00 0.00 C ATOM 2082 C SER A 132 -6.075-153.629 20.791 1.00 0.00 C ATOM 2083 O SER A 132 -6.426-153.962 19.660 1.00 0.00 O ATOM 2084 CB SER A 132 -7.362-152.572 22.670 1.00 0.00 C ATOM 2085 OG SER A 132 -8.675-153.046 22.382 1.00 0.00 O ATOM 0 H SER A 132 -8.105-152.105 19.998 1.00 0.00 H new ATOM 0 HA SER A 132 -5.691-151.703 21.664 1.00 0.00 H new ATOM 0 HB2 SER A 132 -6.839-153.304 23.285 1.00 0.00 H new ATOM 0 HB3 SER A 132 -7.428-151.654 23.254 1.00 0.00 H new ATOM 0 HG SER A 132 -9.157-153.204 23.221 1.00 0.00 H new ATOM 2091 N GLY A 133 -5.278-154.345 21.571 1.00 0.00 N ATOM 2092 CA GLY A 133 -4.745-155.621 21.126 1.00 0.00 C ATOM 2093 C GLY A 133 -5.847-156.681 21.055 1.00 0.00 C ATOM 2094 O GLY A 133 -5.941-157.543 21.927 1.00 0.00 O ATOM 0 H GLY A 133 -4.989-154.065 22.508 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -4.284-155.504 20.145 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -3.962-155.950 21.809 1.00 0.00 H new