USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.407 USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= 1.07 F(o=1.1,f=2.3) USER MOD Set 2.2: A 29 THR OG1 : rot -78:sc= 1.2 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.0304 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.464 X(o=0.46,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -123:sc= 0.348 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0618 (180deg=-0.351) USER MOD Single : A 55 ASN : amide:sc= -4.98! C(o=-5!,f=-6.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0001 USER MOD Single : A 67 CYS SG : rot -96:sc= 1.31 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.45 K(o=-1.4,f=-3.6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=0.000889 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.869 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 8.356 -0.730 5.308 1.00 0.00 N ATOM 143 CA LEU A 13 7.171 -0.002 5.747 1.00 0.00 C ATOM 144 C LEU A 13 6.588 -0.626 7.012 1.00 0.00 C ATOM 145 O LEU A 13 7.031 -1.687 7.454 1.00 0.00 O ATOM 146 CB LEU A 13 6.116 0.011 4.639 1.00 0.00 C ATOM 147 CG LEU A 13 6.530 0.749 3.363 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.210 -0.085 2.132 1.00 0.00 C ATOM 149 CD2 LEU A 13 5.841 2.104 3.282 1.00 0.00 C ATOM 0 HA LEU A 13 7.466 1.023 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.868 -1.019 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.207 0.470 5.028 1.00 0.00 H new ATOM 0 HG LEU A 13 7.607 0.911 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.512 0.458 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.750 -1.031 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.138 -0.281 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.147 2.614 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.760 1.963 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.121 2.707 4.146 1.00 0.00 H new ATOM 161 N HIS A 14 5.595 0.041 7.591 1.00 0.00 N ATOM 162 CA HIS A 14 4.952 -0.449 8.805 1.00 0.00 C ATOM 163 C HIS A 14 3.641 0.286 9.061 1.00 0.00 C ATOM 164 O HIS A 14 3.286 0.561 10.207 1.00 0.00 O ATOM 165 CB HIS A 14 5.888 -0.281 10.004 1.00 0.00 C ATOM 166 CG HIS A 14 5.655 -1.286 11.089 1.00 0.00 C ATOM 167 ND1 HIS A 14 5.747 -2.647 10.908 1.00 0.00 N ATOM 168 CD2 HIS A 14 5.329 -1.103 12.394 1.00 0.00 C ATOM 169 CE1 HIS A 14 5.478 -3.237 12.080 1.00 0.00 C ATOM 170 NE2 HIS A 14 5.219 -2.345 13.016 1.00 0.00 N ATOM 0 H HIS A 14 5.218 0.921 7.240 1.00 0.00 H new ATOM 0 HA HIS A 14 4.732 -1.508 8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.920 -0.359 9.663 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.763 0.721 10.415 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.179 -0.147 12.874 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.474 -4.305 12.238 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.986 -2.526 13.992 1.00 0.00 H new ATOM 178 N GLU A 15 2.924 0.600 7.987 1.00 0.00 N ATOM 179 CA GLU A 15 1.651 1.302 8.095 1.00 0.00 C ATOM 180 C GLU A 15 1.837 2.673 8.738 1.00 0.00 C ATOM 181 O GLU A 15 2.190 2.776 9.911 1.00 0.00 O ATOM 182 CB GLU A 15 0.655 0.475 8.911 1.00 0.00 C ATOM 183 CG GLU A 15 0.551 -0.972 8.458 1.00 0.00 C ATOM 184 CD GLU A 15 -0.386 -1.789 9.325 1.00 0.00 C ATOM 185 OE1 GLU A 15 -1.617 -1.661 9.154 1.00 0.00 O ATOM 186 OE2 GLU A 15 0.110 -2.556 10.177 1.00 0.00 O ATOM 0 H GLU A 15 3.203 0.379 7.031 1.00 0.00 H new ATOM 0 HA GLU A 15 1.257 1.443 7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.950 0.498 9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.329 0.939 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.203 -1.001 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.542 -1.426 8.473 1.00 0.00 H new ATOM 193 N GLY A 16 1.598 3.723 7.958 1.00 0.00 N ATOM 194 CA GLY A 16 1.745 5.074 8.469 1.00 0.00 C ATOM 195 C GLY A 16 2.911 5.809 7.836 1.00 0.00 C ATOM 196 O GLY A 16 3.765 6.350 8.536 1.00 0.00 O ATOM 0 H GLY A 16 1.306 3.663 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.826 5.631 8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.886 5.037 9.549 1.00 0.00 H new ATOM 200 N SER A 17 2.945 5.828 6.507 1.00 0.00 N ATOM 201 CA SER A 17 4.014 6.501 5.780 1.00 0.00 C ATOM 202 C SER A 17 3.540 6.939 4.398 1.00 0.00 C ATOM 203 O SER A 17 2.522 6.458 3.899 1.00 0.00 O ATOM 204 CB SER A 17 5.229 5.578 5.649 1.00 0.00 C ATOM 205 OG SER A 17 6.265 5.971 6.534 1.00 0.00 O ATOM 0 H SER A 17 2.244 5.385 5.913 1.00 0.00 H new ATOM 0 HA SER A 17 4.301 7.389 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.934 4.551 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.596 5.598 4.623 1.00 0.00 H new ATOM 0 HG SER A 17 7.029 5.365 6.433 1.00 0.00 H new ATOM 211 N GLN A 18 4.283 7.854 3.785 1.00 0.00 N ATOM 212 CA GLN A 18 3.938 8.356 2.460 1.00 0.00 C ATOM 213 C GLN A 18 4.704 7.603 1.377 1.00 0.00 C ATOM 214 O GLN A 18 5.905 7.364 1.504 1.00 0.00 O ATOM 215 CB GLN A 18 4.236 9.853 2.365 1.00 0.00 C ATOM 216 CG GLN A 18 3.432 10.697 3.341 1.00 0.00 C ATOM 217 CD GLN A 18 2.009 10.933 2.874 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.065 10.211 3.469 1.00 0.00 O flip ATOM 219 NE2 GLN A 18 1.761 11.752 1.991 1.00 0.00 N flip ATOM 0 H GLN A 18 5.128 8.263 4.184 1.00 0.00 H new ATOM 0 HA GLN A 18 2.871 8.195 2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.298 10.016 2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.031 10.192 1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.414 10.204 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.929 11.657 3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.518 12.284 1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.798 11.899 1.688 1.00 0.00 H new ATOM 228 N VAL A 19 4.002 7.232 0.312 1.00 0.00 N ATOM 229 CA VAL A 19 4.616 6.507 -0.793 1.00 0.00 C ATOM 230 C VAL A 19 4.050 6.964 -2.133 1.00 0.00 C ATOM 231 O VAL A 19 2.842 7.157 -2.274 1.00 0.00 O ATOM 232 CB VAL A 19 4.408 4.987 -0.653 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.154 4.456 0.561 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.926 4.659 -0.563 1.00 0.00 C ATOM 0 H VAL A 19 3.007 7.422 0.191 1.00 0.00 H new ATOM 0 HA VAL A 19 5.683 6.725 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 19 4.812 4.499 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.995 3.381 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.219 4.658 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.783 4.948 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.797 3.581 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.495 5.157 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.422 5.004 -1.466 1.00 0.00 H new ATOM 244 N LEU A 20 4.930 7.139 -3.113 1.00 0.00 N ATOM 245 CA LEU A 20 4.518 7.574 -4.442 1.00 0.00 C ATOM 246 C LEU A 20 4.360 6.383 -5.381 1.00 0.00 C ATOM 247 O LEU A 20 4.957 5.327 -5.166 1.00 0.00 O ATOM 248 CB LEU A 20 5.537 8.560 -5.017 1.00 0.00 C ATOM 249 CG LEU A 20 5.104 9.260 -6.305 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.953 10.215 -6.035 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.278 10.000 -6.928 1.00 0.00 C ATOM 0 H LEU A 20 5.933 6.986 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 20 3.552 8.071 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.751 9.318 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.469 8.027 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 20 4.761 8.502 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.660 10.703 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.106 9.659 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.267 10.969 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.953 10.493 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.651 10.747 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.073 9.291 -7.160 1.00 0.00 H new ATOM 263 N LEU A 21 3.555 6.560 -6.423 1.00 0.00 N ATOM 264 CA LEU A 21 3.319 5.499 -7.396 1.00 0.00 C ATOM 265 C LEU A 21 4.160 5.714 -8.650 1.00 0.00 C ATOM 266 O LEU A 21 4.383 6.850 -9.071 1.00 0.00 O ATOM 267 CB LEU A 21 1.836 5.438 -7.767 1.00 0.00 C ATOM 268 CG LEU A 21 0.874 5.354 -6.580 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.566 5.476 -7.053 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.080 4.052 -5.821 1.00 0.00 C ATOM 0 H LEU A 21 3.055 7.428 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 21 3.612 4.552 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.588 6.322 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.673 4.572 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 21 1.084 6.183 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.237 5.414 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.704 6.434 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.790 4.667 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.388 4.008 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.895 3.209 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.104 4.005 -5.451 1.00 0.00 H new ATOM 282 N THR A 22 4.623 4.618 -9.241 1.00 0.00 N ATOM 283 CA THR A 22 5.440 4.689 -10.447 1.00 0.00 C ATOM 284 C THR A 22 4.598 4.422 -11.691 1.00 0.00 C ATOM 285 O THR A 22 5.090 3.883 -12.682 1.00 0.00 O ATOM 286 CB THR A 22 6.589 3.682 -10.370 1.00 0.00 C ATOM 287 OG1 THR A 22 6.093 2.370 -10.165 1.00 0.00 O ATOM 288 CG2 THR A 22 7.572 3.979 -9.259 1.00 0.00 C ATOM 0 H THR A 22 4.447 3.671 -8.905 1.00 0.00 H new ATOM 0 HA THR A 22 5.852 5.696 -10.518 1.00 0.00 H new ATOM 0 HB THR A 22 7.109 3.764 -11.325 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.818 2.267 -9.230 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.361 3.227 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.010 4.965 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.054 3.959 -8.300 1.00 0.00 H new ATOM 296 N SER A 23 3.326 4.803 -11.631 1.00 0.00 N ATOM 297 CA SER A 23 2.416 4.606 -12.752 1.00 0.00 C ATOM 298 C SER A 23 1.443 5.776 -12.874 1.00 0.00 C ATOM 299 O SER A 23 1.238 6.313 -13.962 1.00 0.00 O ATOM 300 CB SER A 23 1.641 3.298 -12.583 1.00 0.00 C ATOM 301 OG SER A 23 2.518 2.186 -12.543 1.00 0.00 O ATOM 0 H SER A 23 2.903 5.250 -10.818 1.00 0.00 H new ATOM 0 HA SER A 23 3.009 4.553 -13.665 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.054 3.335 -11.665 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.937 3.180 -13.407 1.00 0.00 H new ATOM 0 HG SER A 23 1.998 1.363 -12.433 1.00 0.00 H new ATOM 307 N SER A 24 0.849 6.164 -11.750 1.00 0.00 N ATOM 308 CA SER A 24 -0.099 7.271 -11.730 1.00 0.00 C ATOM 309 C SER A 24 0.590 8.576 -11.341 1.00 0.00 C ATOM 310 O SER A 24 0.101 9.662 -11.651 1.00 0.00 O ATOM 311 CB SER A 24 -1.242 6.972 -10.756 1.00 0.00 C ATOM 312 OG SER A 24 -2.381 6.483 -11.442 1.00 0.00 O ATOM 0 H SER A 24 1.008 5.728 -10.842 1.00 0.00 H new ATOM 0 HA SER A 24 -0.506 7.385 -12.735 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.914 6.238 -10.020 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.504 7.878 -10.209 1.00 0.00 H new ATOM 0 HG SER A 24 -3.096 6.298 -10.798 1.00 0.00 H new ATOM 318 N ASN A 25 1.727 8.464 -10.658 1.00 0.00 N ATOM 319 CA ASN A 25 2.482 9.636 -10.226 1.00 0.00 C ATOM 320 C ASN A 25 1.701 10.430 -9.184 1.00 0.00 C ATOM 321 O ASN A 25 1.622 11.658 -9.254 1.00 0.00 O ATOM 322 CB ASN A 25 2.815 10.528 -11.425 1.00 0.00 C ATOM 323 CG ASN A 25 4.164 11.206 -11.284 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.075 10.973 -12.077 1.00 0.00 O ATOM 325 ND2 ASN A 25 4.297 12.051 -10.268 1.00 0.00 N ATOM 0 H ASN A 25 2.145 7.573 -10.392 1.00 0.00 H new ATOM 0 HA ASN A 25 3.412 9.292 -9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.807 9.927 -12.335 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.040 11.286 -11.537 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.182 12.537 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.514 12.214 -9.635 1.00 0.00 H new ATOM 332 N GLU A 26 1.126 9.722 -8.218 1.00 0.00 N ATOM 333 CA GLU A 26 0.351 10.359 -7.161 1.00 0.00 C ATOM 334 C GLU A 26 0.693 9.759 -5.801 1.00 0.00 C ATOM 335 O GLU A 26 0.558 8.555 -5.590 1.00 0.00 O ATOM 336 CB GLU A 26 -1.146 10.209 -7.435 1.00 0.00 C ATOM 337 CG GLU A 26 -1.729 11.341 -8.266 1.00 0.00 C ATOM 338 CD GLU A 26 -2.171 12.517 -7.418 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.406 12.322 -6.206 1.00 0.00 O ATOM 340 OE2 GLU A 26 -2.284 13.635 -7.964 1.00 0.00 O ATOM 0 H GLU A 26 1.182 8.706 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 26 0.605 11.419 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.320 9.264 -7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.677 10.156 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.985 11.677 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.580 10.968 -8.836 1.00 0.00 H new ATOM 347 N MET A 27 1.137 10.609 -4.880 1.00 0.00 N ATOM 348 CA MET A 27 1.498 10.163 -3.539 1.00 0.00 C ATOM 349 C MET A 27 0.274 9.650 -2.788 1.00 0.00 C ATOM 350 O MET A 27 -0.855 10.038 -3.082 1.00 0.00 O ATOM 351 CB MET A 27 2.151 11.306 -2.757 1.00 0.00 C ATOM 352 CG MET A 27 3.671 11.287 -2.809 1.00 0.00 C ATOM 353 SD MET A 27 4.426 11.725 -1.232 1.00 0.00 S ATOM 354 CE MET A 27 5.087 13.346 -1.611 1.00 0.00 C ATOM 0 H MET A 27 1.255 11.610 -5.038 1.00 0.00 H new ATOM 0 HA MET A 27 2.211 9.344 -3.635 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.794 12.257 -3.153 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.830 11.253 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.008 10.294 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.013 11.982 -3.576 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.586 13.750 -0.731 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.803 13.265 -2.429 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.275 14.011 -1.904 1.00 0.00 H new ATOM 364 N ALA A 28 0.509 8.774 -1.815 1.00 0.00 N ATOM 365 CA ALA A 28 -0.574 8.208 -1.021 1.00 0.00 C ATOM 366 C ALA A 28 -0.077 7.771 0.353 1.00 0.00 C ATOM 367 O ALA A 28 1.114 7.527 0.544 1.00 0.00 O ATOM 368 CB ALA A 28 -1.207 7.033 -1.753 1.00 0.00 C ATOM 0 H ALA A 28 1.439 8.442 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.328 8.982 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.014 6.620 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.606 7.372 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.454 6.264 -1.927 1.00 0.00 H new ATOM 374 N THR A 29 -0.998 7.673 1.306 1.00 0.00 N ATOM 375 CA THR A 29 -0.652 7.267 2.663 1.00 0.00 C ATOM 376 C THR A 29 -0.921 5.782 2.873 1.00 0.00 C ATOM 377 O THR A 29 -1.948 5.259 2.442 1.00 0.00 O ATOM 378 CB THR A 29 -1.442 8.089 3.682 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.417 9.465 3.345 1.00 0.00 O ATOM 380 CG2 THR A 29 -0.916 7.954 5.095 1.00 0.00 C ATOM 0 H THR A 29 -1.989 7.869 1.164 1.00 0.00 H new ATOM 0 HA THR A 29 0.413 7.449 2.808 1.00 0.00 H new ATOM 0 HB THR A 29 -2.457 7.693 3.648 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.554 9.850 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.521 8.562 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.967 6.910 5.404 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.119 8.293 5.132 1.00 0.00 H new ATOM 388 N VAL A 30 0.012 5.110 3.538 1.00 0.00 N ATOM 389 CA VAL A 30 -0.121 3.686 3.805 1.00 0.00 C ATOM 390 C VAL A 30 -1.058 3.434 4.981 1.00 0.00 C ATOM 391 O VAL A 30 -0.835 3.934 6.083 1.00 0.00 O ATOM 392 CB VAL A 30 1.244 3.038 4.102 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.112 1.525 4.189 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.262 3.430 3.042 1.00 0.00 C ATOM 0 H VAL A 30 0.868 5.530 3.901 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.539 3.234 2.906 1.00 0.00 H new ATOM 0 HB VAL A 30 1.596 3.404 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.087 1.086 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.417 1.266 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.737 1.137 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.221 2.963 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.917 3.095 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.379 4.514 3.033 1.00 0.00 H new ATOM 404 N ARG A 31 -2.110 2.658 4.739 1.00 0.00 N ATOM 405 CA ARG A 31 -3.083 2.342 5.780 1.00 0.00 C ATOM 406 C ARG A 31 -2.996 0.874 6.181 1.00 0.00 C ATOM 407 O ARG A 31 -3.255 0.519 7.331 1.00 0.00 O ATOM 408 CB ARG A 31 -4.498 2.669 5.299 1.00 0.00 C ATOM 409 CG ARG A 31 -4.722 4.148 5.030 1.00 0.00 C ATOM 410 CD ARG A 31 -4.831 4.938 6.324 1.00 0.00 C ATOM 411 NE ARG A 31 -5.934 4.471 7.161 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.260 5.015 8.331 1.00 0.00 C ATOM 413 NH1 ARG A 31 -5.571 6.045 8.807 1.00 0.00 N ATOM 414 NH2 ARG A 31 -7.278 4.529 9.026 1.00 0.00 N ATOM 0 H ARG A 31 -2.311 2.237 3.832 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.853 2.951 6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.702 2.107 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.214 2.332 6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.899 4.539 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.632 4.279 4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.896 4.856 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.973 5.994 6.093 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.487 3.681 6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.787 6.424 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.826 6.458 9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.811 3.738 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.528 4.945 9.923 1.00 0.00 H new ATOM 428 N TYR A 32 -2.631 0.023 5.227 1.00 0.00 N ATOM 429 CA TYR A 32 -2.512 -1.407 5.484 1.00 0.00 C ATOM 430 C TYR A 32 -1.308 -1.994 4.756 1.00 0.00 C ATOM 431 O TYR A 32 -1.066 -1.688 3.588 1.00 0.00 O ATOM 432 CB TYR A 32 -3.788 -2.133 5.050 1.00 0.00 C ATOM 433 CG TYR A 32 -3.952 -3.499 5.677 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.051 -4.520 5.404 1.00 0.00 C ATOM 435 CD2 TYR A 32 -5.006 -3.766 6.541 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.197 -5.771 5.975 1.00 0.00 C ATOM 437 CE2 TYR A 32 -5.158 -5.013 7.116 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.251 -6.012 6.830 1.00 0.00 C ATOM 439 OH TYR A 32 -4.400 -7.256 7.401 1.00 0.00 O ATOM 0 H TYR A 32 -2.413 0.299 4.270 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.369 -1.546 6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.651 -1.519 5.308 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.784 -2.239 3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.223 -4.334 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.718 -2.986 6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.489 -6.555 5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.983 -5.205 7.786 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.192 -7.258 7.978 1.00 0.00 H new ATOM 449 N VAL A 33 -0.554 -2.838 5.453 1.00 0.00 N ATOM 450 CA VAL A 33 0.625 -3.468 4.873 1.00 0.00 C ATOM 451 C VAL A 33 0.639 -4.967 5.152 1.00 0.00 C ATOM 452 O VAL A 33 0.500 -5.398 6.297 1.00 0.00 O ATOM 453 CB VAL A 33 1.923 -2.842 5.420 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.136 -3.395 4.686 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.871 -1.324 5.317 1.00 0.00 C ATOM 0 H VAL A 33 -0.739 -3.101 6.421 1.00 0.00 H new ATOM 0 HA VAL A 33 0.577 -3.302 3.797 1.00 0.00 H new ATOM 0 HB VAL A 33 2.015 -3.107 6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.042 -2.941 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.182 -4.476 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.054 -3.165 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.796 -0.901 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.752 -1.034 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.027 -0.949 5.896 1.00 0.00 H new ATOM 465 N GLY A 34 0.808 -5.757 4.097 1.00 0.00 N ATOM 466 CA GLY A 34 0.836 -7.201 4.249 1.00 0.00 C ATOM 467 C GLY A 34 0.279 -7.923 3.037 1.00 0.00 C ATOM 468 O GLY A 34 0.085 -7.314 1.984 1.00 0.00 O ATOM 0 H GLY A 34 0.926 -5.424 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.862 -7.525 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.261 -7.482 5.131 1.00 0.00 H new ATOM 472 N PRO A 35 0.007 -9.234 3.154 1.00 0.00 N ATOM 473 CA PRO A 35 -0.535 -10.030 2.047 1.00 0.00 C ATOM 474 C PRO A 35 -1.982 -9.668 1.729 1.00 0.00 C ATOM 475 O PRO A 35 -2.641 -8.967 2.497 1.00 0.00 O ATOM 476 CB PRO A 35 -0.445 -11.467 2.565 1.00 0.00 C ATOM 477 CG PRO A 35 -0.488 -11.337 4.048 1.00 0.00 C ATOM 478 CD PRO A 35 0.205 -10.042 4.371 1.00 0.00 C ATOM 0 HA PRO A 35 0.011 -9.863 1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.272 -12.073 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.475 -11.950 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.516 -11.330 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.013 -12.178 4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.230 -9.561 5.247 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.263 -10.195 4.584 1.00 0.00 H new ATOM 486 N THR A 36 -2.470 -10.149 0.590 1.00 0.00 N ATOM 487 CA THR A 36 -3.840 -9.877 0.169 1.00 0.00 C ATOM 488 C THR A 36 -4.555 -11.164 -0.228 1.00 0.00 C ATOM 489 O THR A 36 -3.919 -12.147 -0.608 1.00 0.00 O ATOM 490 CB THR A 36 -3.848 -8.894 -1.002 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.052 -9.378 -2.069 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.335 -7.519 -0.634 1.00 0.00 C ATOM 0 H THR A 36 -1.937 -10.729 -0.058 1.00 0.00 H new ATOM 0 HA THR A 36 -4.371 -9.434 1.012 1.00 0.00 H new ATOM 0 HB THR A 36 -4.894 -8.806 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.362 -8.718 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.368 -6.872 -1.510 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.960 -7.096 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.307 -7.597 -0.279 1.00 0.00 H new ATOM 500 N ASP A 37 -5.880 -11.150 -0.136 1.00 0.00 N ATOM 501 CA ASP A 37 -6.682 -12.316 -0.485 1.00 0.00 C ATOM 502 C ASP A 37 -6.866 -12.419 -1.996 1.00 0.00 C ATOM 503 O ASP A 37 -6.784 -13.506 -2.569 1.00 0.00 O ATOM 504 CB ASP A 37 -8.048 -12.246 0.201 1.00 0.00 C ATOM 505 CG ASP A 37 -8.529 -13.605 0.670 1.00 0.00 C ATOM 506 OD1 ASP A 37 -8.026 -14.624 0.151 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.408 -13.651 1.555 1.00 0.00 O ATOM 0 H ASP A 37 -6.421 -10.344 0.177 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.153 -13.204 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.989 -11.570 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.778 -11.824 -0.490 1.00 0.00 H new ATOM 512 N PHE A 38 -7.113 -11.281 -2.636 1.00 0.00 N ATOM 513 CA PHE A 38 -7.308 -11.244 -4.080 1.00 0.00 C ATOM 514 C PHE A 38 -6.000 -11.520 -4.814 1.00 0.00 C ATOM 515 O PHE A 38 -5.980 -12.228 -5.822 1.00 0.00 O ATOM 516 CB PHE A 38 -7.868 -9.885 -4.506 1.00 0.00 C ATOM 517 CG PHE A 38 -6.949 -8.736 -4.206 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.990 -8.101 -2.976 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.042 -8.293 -5.156 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.145 -7.043 -2.698 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.194 -7.235 -4.882 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.246 -6.610 -3.652 1.00 0.00 C ATOM 0 H PHE A 38 -7.183 -10.373 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.023 -12.023 -4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.073 -9.905 -5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.820 -9.719 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.690 -8.436 -2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.997 -8.779 -6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.188 -6.556 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.492 -6.898 -5.630 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.585 -5.784 -3.437 1.00 0.00 H new ATOM 532 N ALA A 39 -4.910 -10.957 -4.303 1.00 0.00 N ATOM 533 CA ALA A 39 -3.598 -11.144 -4.909 1.00 0.00 C ATOM 534 C ALA A 39 -2.689 -11.974 -4.008 1.00 0.00 C ATOM 535 O ALA A 39 -3.114 -12.457 -2.959 1.00 0.00 O ATOM 536 CB ALA A 39 -2.959 -9.796 -5.209 1.00 0.00 C ATOM 0 H ALA A 39 -4.910 -10.368 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.731 -11.687 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.979 -9.950 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.593 -9.238 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.846 -9.233 -4.283 1.00 0.00 H new ATOM 542 N SER A 40 -1.437 -12.135 -4.425 1.00 0.00 N ATOM 543 CA SER A 40 -0.468 -12.906 -3.656 1.00 0.00 C ATOM 544 C SER A 40 0.810 -12.105 -3.431 1.00 0.00 C ATOM 545 O SER A 40 1.212 -11.307 -4.279 1.00 0.00 O ATOM 546 CB SER A 40 -0.143 -14.217 -4.374 1.00 0.00 C ATOM 547 OG SER A 40 0.224 -13.982 -5.722 1.00 0.00 O ATOM 0 H SER A 40 -1.070 -11.741 -5.292 1.00 0.00 H new ATOM 0 HA SER A 40 -0.909 -13.131 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.669 -14.727 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.009 -14.879 -4.339 1.00 0.00 H new ATOM 0 HG SER A 40 0.429 -14.835 -6.159 1.00 0.00 H new ATOM 553 N GLY A 41 1.445 -12.321 -2.284 1.00 0.00 N ATOM 554 CA GLY A 41 2.670 -11.612 -1.970 1.00 0.00 C ATOM 555 C GLY A 41 2.459 -10.518 -0.943 1.00 0.00 C ATOM 556 O GLY A 41 1.869 -10.752 0.111 1.00 0.00 O ATOM 0 H GLY A 41 1.132 -12.975 -1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.410 -12.319 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.078 -11.176 -2.882 1.00 0.00 H new ATOM 560 N ILE A 42 2.943 -9.318 -1.252 1.00 0.00 N ATOM 561 CA ILE A 42 2.804 -8.183 -0.347 1.00 0.00 C ATOM 562 C ILE A 42 2.176 -6.988 -1.057 1.00 0.00 C ATOM 563 O ILE A 42 2.440 -6.743 -2.233 1.00 0.00 O ATOM 564 CB ILE A 42 4.166 -7.760 0.237 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.915 -8.978 0.784 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.974 -6.714 1.324 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.311 -9.132 0.221 1.00 0.00 C ATOM 0 H ILE A 42 3.434 -9.108 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 42 2.152 -8.504 0.465 1.00 0.00 H new ATOM 0 HB ILE A 42 4.765 -7.320 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.976 -8.899 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.341 -9.877 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.945 -6.425 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.481 -5.838 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.358 -7.128 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.782 -10.015 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.256 -9.243 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.902 -8.249 0.466 1.00 0.00 H new ATOM 579 N TRP A 43 1.342 -6.250 -0.333 1.00 0.00 N ATOM 580 CA TRP A 43 0.675 -5.079 -0.893 1.00 0.00 C ATOM 581 C TRP A 43 0.537 -3.979 0.154 1.00 0.00 C ATOM 582 O TRP A 43 0.804 -4.196 1.335 1.00 0.00 O ATOM 583 CB TRP A 43 -0.704 -5.462 -1.434 1.00 0.00 C ATOM 584 CG TRP A 43 -0.657 -6.540 -2.473 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.566 -7.884 -2.257 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.697 -6.362 -3.894 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.547 -8.555 -3.456 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.627 -7.642 -4.476 1.00 0.00 C ATOM 589 CE3 TRP A 43 -0.786 -5.246 -4.730 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.643 -7.836 -5.855 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -0.802 -5.440 -6.099 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.731 -6.725 -6.650 1.00 0.00 C ATOM 0 H TRP A 43 1.111 -6.441 0.642 1.00 0.00 H new ATOM 0 HA TRP A 43 1.286 -4.700 -1.712 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.332 -5.792 -0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.178 -4.577 -1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.516 -8.352 -1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.484 -9.567 -3.569 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.841 -4.251 -4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.588 -8.827 -6.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.871 -4.585 -6.755 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.746 -6.842 -7.724 1.00 0.00 H new ATOM 603 N LEU A 44 0.117 -2.798 -0.287 1.00 0.00 N ATOM 604 CA LEU A 44 -0.058 -1.665 0.613 1.00 0.00 C ATOM 605 C LEU A 44 -1.376 -0.948 0.340 1.00 0.00 C ATOM 606 O LEU A 44 -1.584 -0.402 -0.744 1.00 0.00 O ATOM 607 CB LEU A 44 1.109 -0.685 0.466 1.00 0.00 C ATOM 608 CG LEU A 44 2.498 -1.301 0.639 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.518 -0.566 -0.217 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.911 -1.278 2.102 1.00 0.00 C ATOM 0 H LEU A 44 -0.108 -2.601 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.079 -2.046 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.053 -0.223 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.988 0.113 1.199 1.00 0.00 H new ATOM 0 HG LEU A 44 2.459 -2.339 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.500 -1.018 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.229 -0.634 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.556 0.482 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.902 -1.720 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.934 -0.248 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.194 -1.850 2.691 1.00 0.00 H new ATOM 622 N GLY A 45 -2.263 -0.954 1.329 1.00 0.00 N ATOM 623 CA GLY A 45 -3.550 -0.301 1.175 1.00 0.00 C ATOM 624 C GLY A 45 -3.445 1.210 1.242 1.00 0.00 C ATOM 625 O GLY A 45 -3.800 1.819 2.252 1.00 0.00 O ATOM 0 H GLY A 45 -2.114 -1.399 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.988 -0.590 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.227 -0.650 1.955 1.00 0.00 H new ATOM 629 N LEU A 46 -2.954 1.815 0.166 1.00 0.00 N ATOM 630 CA LEU A 46 -2.802 3.264 0.107 1.00 0.00 C ATOM 631 C LEU A 46 -4.162 3.954 0.093 1.00 0.00 C ATOM 632 O LEU A 46 -5.166 3.360 -0.297 1.00 0.00 O ATOM 633 CB LEU A 46 -2.001 3.664 -1.133 1.00 0.00 C ATOM 634 CG LEU A 46 -0.741 2.834 -1.386 1.00 0.00 C ATOM 635 CD1 LEU A 46 0.015 3.365 -2.595 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.152 2.836 -0.155 1.00 0.00 C ATOM 0 H LEU A 46 -2.655 1.325 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.262 3.584 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.649 3.587 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.715 4.712 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.041 1.807 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.908 2.762 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.625 3.313 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.304 4.401 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.044 2.241 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.443 3.859 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.390 2.409 0.689 1.00 0.00 H new ATOM 648 N GLU A 47 -4.185 5.212 0.522 1.00 0.00 N ATOM 649 CA GLU A 47 -5.421 5.984 0.558 1.00 0.00 C ATOM 650 C GLU A 47 -5.184 7.416 0.089 1.00 0.00 C ATOM 651 O GLU A 47 -4.583 8.221 0.801 1.00 0.00 O ATOM 652 CB GLU A 47 -6.002 5.988 1.974 1.00 0.00 C ATOM 653 CG GLU A 47 -7.515 5.849 2.011 1.00 0.00 C ATOM 654 CD GLU A 47 -8.071 5.905 3.421 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.839 6.919 4.111 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.739 4.933 3.834 1.00 0.00 O ATOM 0 H GLU A 47 -3.362 5.718 0.849 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.134 5.513 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.556 5.172 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.718 6.915 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.964 6.644 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.801 4.904 1.549 1.00 0.00 H new ATOM 663 N LEU A 48 -5.659 7.726 -1.112 1.00 0.00 N ATOM 664 CA LEU A 48 -5.498 9.061 -1.676 1.00 0.00 C ATOM 665 C LEU A 48 -6.505 10.033 -1.070 1.00 0.00 C ATOM 666 O LEU A 48 -7.316 9.654 -0.223 1.00 0.00 O ATOM 667 CB LEU A 48 -5.664 9.019 -3.197 1.00 0.00 C ATOM 668 CG LEU A 48 -4.936 7.870 -3.896 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.592 7.558 -5.231 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.466 8.210 -4.089 1.00 0.00 C ATOM 0 H LEU A 48 -6.159 7.071 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.494 9.410 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.727 8.951 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.307 9.961 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.004 6.984 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.061 6.738 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.631 7.271 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.555 8.441 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.963 7.381 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.378 9.109 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.002 8.384 -3.118 1.00 0.00 H new ATOM 682 N ARG A 49 -6.447 11.286 -1.507 1.00 0.00 N ATOM 683 CA ARG A 49 -7.355 12.312 -1.007 1.00 0.00 C ATOM 684 C ARG A 49 -8.521 12.524 -1.968 1.00 0.00 C ATOM 685 O ARG A 49 -9.630 12.853 -1.551 1.00 0.00 O ATOM 686 CB ARG A 49 -6.601 13.628 -0.795 1.00 0.00 C ATOM 687 CG ARG A 49 -6.690 14.158 0.627 1.00 0.00 C ATOM 688 CD ARG A 49 -7.872 15.099 0.801 1.00 0.00 C ATOM 689 NE ARG A 49 -7.465 16.392 1.345 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.169 16.597 2.627 1.00 0.00 C ATOM 691 NH1 ARG A 49 -7.230 15.597 3.498 1.00 0.00 N ATOM 692 NH2 ARG A 49 -6.809 17.806 3.038 1.00 0.00 N ATOM 0 H ARG A 49 -5.781 11.616 -2.206 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.757 11.974 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.552 13.482 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.997 14.378 -1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.783 13.323 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.768 14.681 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.362 15.248 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.606 14.641 1.464 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.404 17.184 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.505 14.665 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.002 15.760 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.759 18.577 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.582 17.964 4.020 1.00 0.00 H new ATOM 706 N SER A 50 -8.260 12.331 -3.258 1.00 0.00 N ATOM 707 CA SER A 50 -9.287 12.501 -4.279 1.00 0.00 C ATOM 708 C SER A 50 -9.664 11.159 -4.899 1.00 0.00 C ATOM 709 O SER A 50 -9.131 10.117 -4.520 1.00 0.00 O ATOM 710 CB SER A 50 -8.801 13.460 -5.367 1.00 0.00 C ATOM 711 OG SER A 50 -8.570 14.755 -4.839 1.00 0.00 O ATOM 0 H SER A 50 -7.347 12.057 -3.620 1.00 0.00 H new ATOM 0 HA SER A 50 -10.172 12.923 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.883 13.076 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.542 13.516 -6.165 1.00 0.00 H new ATOM 0 HG SER A 50 -8.258 15.349 -5.554 1.00 0.00 H new ATOM 717 N ALA A 51 -10.588 11.194 -5.855 1.00 0.00 N ATOM 718 CA ALA A 51 -11.035 9.980 -6.527 1.00 0.00 C ATOM 719 C ALA A 51 -10.287 9.770 -7.838 1.00 0.00 C ATOM 720 O ALA A 51 -10.567 10.432 -8.838 1.00 0.00 O ATOM 721 CB ALA A 51 -12.536 10.039 -6.778 1.00 0.00 C ATOM 0 H ALA A 51 -11.040 12.048 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.818 9.133 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.857 9.126 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.060 10.134 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.766 10.899 -7.406 1.00 0.00 H new ATOM 727 N LYS A 52 -9.332 8.847 -7.826 1.00 0.00 N ATOM 728 CA LYS A 52 -8.541 8.549 -9.016 1.00 0.00 C ATOM 729 C LYS A 52 -7.977 7.132 -8.953 1.00 0.00 C ATOM 730 O LYS A 52 -6.907 6.854 -9.495 1.00 0.00 O ATOM 731 CB LYS A 52 -7.403 9.563 -9.162 1.00 0.00 C ATOM 732 CG LYS A 52 -7.573 10.498 -10.348 1.00 0.00 C ATOM 733 CD LYS A 52 -6.790 10.012 -11.557 1.00 0.00 C ATOM 734 CE LYS A 52 -7.551 10.259 -12.849 1.00 0.00 C ATOM 735 NZ LYS A 52 -7.085 11.490 -13.544 1.00 0.00 N ATOM 0 H LYS A 52 -9.086 8.292 -7.006 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.194 8.620 -9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.335 10.155 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.460 9.026 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.630 10.574 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.238 11.499 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.827 10.522 -11.597 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.583 8.947 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.430 9.401 -13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.616 10.346 -12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.630 11.621 -14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.224 12.313 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.075 11.397 -13.775 1.00 0.00 H new ATOM 749 N GLY A 53 -8.706 6.239 -8.290 1.00 0.00 N ATOM 750 CA GLY A 53 -8.262 4.862 -8.170 1.00 0.00 C ATOM 751 C GLY A 53 -9.235 3.883 -8.798 1.00 0.00 C ATOM 752 O GLY A 53 -9.678 4.078 -9.930 1.00 0.00 O ATOM 0 H GLY A 53 -9.595 6.444 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.287 4.755 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.133 4.616 -7.116 1.00 0.00 H new ATOM 756 N LYS A 54 -9.566 2.826 -8.063 1.00 0.00 N ATOM 757 CA LYS A 54 -10.492 1.813 -8.555 1.00 0.00 C ATOM 758 C LYS A 54 -11.185 1.101 -7.398 1.00 0.00 C ATOM 759 O LYS A 54 -12.403 0.924 -7.406 1.00 0.00 O ATOM 760 CB LYS A 54 -9.752 0.796 -9.427 1.00 0.00 C ATOM 761 CG LYS A 54 -9.726 1.164 -10.901 1.00 0.00 C ATOM 762 CD LYS A 54 -11.126 1.200 -11.491 1.00 0.00 C ATOM 763 CE LYS A 54 -11.094 1.099 -13.007 1.00 0.00 C ATOM 764 NZ LYS A 54 -10.636 -0.241 -13.464 1.00 0.00 N ATOM 0 H LYS A 54 -9.207 2.649 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.251 2.312 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.728 0.699 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.224 -0.180 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.252 2.138 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.119 0.442 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.715 0.379 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.622 2.125 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.089 1.298 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.431 1.866 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.968 -0.409 -14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.597 -0.279 -13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.022 -0.973 -12.834 1.00 0.00 H new ATOM 778 N ASN A 55 -10.401 0.695 -6.406 1.00 0.00 N ATOM 779 CA ASN A 55 -10.939 0.002 -5.242 1.00 0.00 C ATOM 780 C ASN A 55 -11.792 0.942 -4.395 1.00 0.00 C ATOM 781 O ASN A 55 -11.891 2.134 -4.684 1.00 0.00 O ATOM 782 CB ASN A 55 -9.804 -0.576 -4.395 1.00 0.00 C ATOM 783 CG ASN A 55 -9.378 -1.954 -4.862 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.062 -2.946 -4.611 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.242 -2.022 -5.546 1.00 0.00 N ATOM 0 H ASN A 55 -9.391 0.834 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.570 -0.813 -5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.948 0.098 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.123 -0.631 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.905 -2.922 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.707 -1.174 -5.731 1.00 0.00 H new ATOM 792 N ASP A 56 -12.407 0.397 -3.351 1.00 0.00 N ATOM 793 CA ASP A 56 -13.252 1.187 -2.463 1.00 0.00 C ATOM 794 C ASP A 56 -12.946 0.877 -1.001 1.00 0.00 C ATOM 795 O ASP A 56 -13.826 0.954 -0.143 1.00 0.00 O ATOM 796 CB ASP A 56 -14.729 0.917 -2.756 1.00 0.00 C ATOM 797 CG ASP A 56 -15.647 1.874 -2.024 1.00 0.00 C ATOM 798 OD1 ASP A 56 -15.174 2.954 -1.612 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.841 1.545 -1.863 1.00 0.00 O ATOM 0 H ASP A 56 -12.336 -0.589 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.040 2.241 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.905 0.998 -3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.972 -0.106 -2.470 1.00 0.00 H new ATOM 804 N GLY A 57 -11.695 0.527 -0.724 1.00 0.00 N ATOM 805 CA GLY A 57 -11.295 0.211 0.635 1.00 0.00 C ATOM 806 C GLY A 57 -11.203 -1.282 0.880 1.00 0.00 C ATOM 807 O GLY A 57 -10.168 -1.783 1.320 1.00 0.00 O ATOM 0 H GLY A 57 -10.950 0.456 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.328 0.670 0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.011 0.647 1.332 1.00 0.00 H new ATOM 811 N ALA A 58 -12.288 -1.996 0.596 1.00 0.00 N ATOM 812 CA ALA A 58 -12.326 -3.440 0.790 1.00 0.00 C ATOM 813 C ALA A 58 -12.295 -4.175 -0.547 1.00 0.00 C ATOM 814 O ALA A 58 -12.792 -3.671 -1.554 1.00 0.00 O ATOM 815 CB ALA A 58 -13.562 -3.833 1.583 1.00 0.00 C ATOM 0 H ALA A 58 -13.153 -1.597 0.231 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.439 -3.730 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.578 -4.914 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.540 -3.344 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.456 -3.523 1.041 1.00 0.00 H new ATOM 821 N VAL A 59 -11.709 -5.368 -0.547 1.00 0.00 N ATOM 822 CA VAL A 59 -11.614 -6.172 -1.758 1.00 0.00 C ATOM 823 C VAL A 59 -11.957 -7.631 -1.478 1.00 0.00 C ATOM 824 O VAL A 59 -11.126 -8.389 -0.978 1.00 0.00 O ATOM 825 CB VAL A 59 -10.203 -6.097 -2.373 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.177 -6.775 -3.734 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.743 -4.652 -2.479 1.00 0.00 C ATOM 0 H VAL A 59 -11.293 -5.799 0.279 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.334 -5.762 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.512 -6.626 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.173 -6.712 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.459 -7.822 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.880 -6.278 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.745 -4.619 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.434 -4.096 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.720 -4.204 -1.486 1.00 0.00 H new ATOM 837 N GLY A 60 -13.187 -8.018 -1.804 1.00 0.00 N ATOM 838 CA GLY A 60 -13.618 -9.385 -1.579 1.00 0.00 C ATOM 839 C GLY A 60 -14.155 -9.601 -0.178 1.00 0.00 C ATOM 840 O GLY A 60 -15.114 -8.948 0.234 1.00 0.00 O ATOM 0 H GLY A 60 -13.892 -7.409 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.390 -9.643 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.780 -10.060 -1.751 1.00 0.00 H new ATOM 844 N ASP A 61 -13.535 -10.520 0.555 1.00 0.00 N ATOM 845 CA ASP A 61 -13.958 -10.821 1.919 1.00 0.00 C ATOM 846 C ASP A 61 -12.935 -10.315 2.931 1.00 0.00 C ATOM 847 O ASP A 61 -12.777 -10.888 4.009 1.00 0.00 O ATOM 848 CB ASP A 61 -14.160 -12.328 2.091 1.00 0.00 C ATOM 849 CG ASP A 61 -12.914 -13.122 1.748 1.00 0.00 C ATOM 850 OD1 ASP A 61 -12.495 -13.089 0.572 1.00 0.00 O ATOM 851 OD2 ASP A 61 -12.357 -13.774 2.657 1.00 0.00 O ATOM 0 H ASP A 61 -12.739 -11.069 0.229 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.904 -10.311 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.449 -12.538 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.983 -12.656 1.456 1.00 0.00 H new ATOM 856 N LYS A 62 -12.242 -9.238 2.577 1.00 0.00 N ATOM 857 CA LYS A 62 -11.234 -8.654 3.454 1.00 0.00 C ATOM 858 C LYS A 62 -11.280 -7.130 3.394 1.00 0.00 C ATOM 859 O LYS A 62 -12.041 -6.552 2.617 1.00 0.00 O ATOM 860 CB LYS A 62 -9.840 -9.153 3.069 1.00 0.00 C ATOM 861 CG LYS A 62 -9.184 -10.010 4.139 1.00 0.00 C ATOM 862 CD LYS A 62 -7.693 -9.729 4.245 1.00 0.00 C ATOM 863 CE LYS A 62 -6.894 -10.577 3.270 1.00 0.00 C ATOM 864 NZ LYS A 62 -5.429 -10.462 3.504 1.00 0.00 N ATOM 0 H LYS A 62 -12.360 -8.752 1.688 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.451 -8.966 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.911 -9.730 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.201 -8.295 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.660 -9.820 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.341 -11.064 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.506 -8.673 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.356 -9.928 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.196 -11.620 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.124 -10.270 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.920 -11.056 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.136 -9.471 3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.206 -10.779 4.469 1.00 0.00 H new ATOM 878 N ARG A 63 -10.465 -6.484 4.221 1.00 0.00 N ATOM 879 CA ARG A 63 -10.414 -5.027 4.261 1.00 0.00 C ATOM 880 C ARG A 63 -8.972 -4.532 4.291 1.00 0.00 C ATOM 881 O ARG A 63 -8.044 -5.303 4.535 1.00 0.00 O ATOM 882 CB ARG A 63 -11.176 -4.504 5.482 1.00 0.00 C ATOM 883 CG ARG A 63 -12.388 -3.660 5.126 1.00 0.00 C ATOM 884 CD ARG A 63 -13.574 -4.527 4.738 1.00 0.00 C ATOM 885 NE ARG A 63 -13.999 -5.394 5.834 1.00 0.00 N ATOM 886 CZ ARG A 63 -14.739 -6.489 5.670 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.141 -6.852 4.459 1.00 0.00 N ATOM 888 NH2 ARG A 63 -15.080 -7.221 6.722 1.00 0.00 N ATOM 0 H ARG A 63 -9.831 -6.946 4.873 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.887 -4.646 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.498 -5.350 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.498 -3.911 6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.657 -3.031 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.139 -2.992 4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.405 -3.890 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.310 -5.137 3.874 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.712 -5.146 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.883 -6.291 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.708 -7.692 4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.776 -6.945 7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.647 -8.060 6.598 1.00 0.00 H new ATOM 902 N TYR A 64 -8.792 -3.239 4.041 1.00 0.00 N ATOM 903 CA TYR A 64 -7.463 -2.638 4.038 1.00 0.00 C ATOM 904 C TYR A 64 -7.535 -1.167 4.439 1.00 0.00 C ATOM 905 O TYR A 64 -6.753 -0.700 5.267 1.00 0.00 O ATOM 906 CB TYR A 64 -6.821 -2.773 2.657 1.00 0.00 C ATOM 907 CG TYR A 64 -6.689 -4.204 2.188 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.766 -5.063 2.769 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.488 -4.695 1.162 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.642 -6.372 2.343 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.372 -6.003 0.731 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.447 -6.837 1.324 1.00 0.00 C ATOM 913 OH TYR A 64 -6.328 -8.139 0.897 1.00 0.00 O ATOM 0 H TYR A 64 -9.550 -2.587 3.838 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.849 -3.167 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.416 -2.216 1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.833 -2.314 2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.134 -4.702 3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.211 -4.044 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.919 -7.027 2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.002 -6.370 -0.066 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.968 -8.306 0.174 1.00 0.00 H new ATOM 923 N PHE A 65 -8.476 -0.443 3.845 1.00 0.00 N ATOM 924 CA PHE A 65 -8.652 0.974 4.139 1.00 0.00 C ATOM 925 C PHE A 65 -10.093 1.407 3.885 1.00 0.00 C ATOM 926 O PHE A 65 -10.891 0.650 3.333 1.00 0.00 O ATOM 927 CB PHE A 65 -7.696 1.816 3.291 1.00 0.00 C ATOM 928 CG PHE A 65 -7.877 1.623 1.812 1.00 0.00 C ATOM 929 CD1 PHE A 65 -7.260 0.571 1.156 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.665 2.496 1.079 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.425 0.392 -0.204 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.833 2.322 -0.282 1.00 0.00 C ATOM 933 CZ PHE A 65 -8.213 1.269 -0.925 1.00 0.00 C ATOM 0 H PHE A 65 -9.130 -0.814 3.156 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.425 1.132 5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.841 2.869 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.669 1.566 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.643 -0.117 1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.153 3.321 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.938 -0.433 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.449 3.010 -0.842 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.343 1.131 -1.988 1.00 0.00 H new ATOM 943 N THR A 66 -10.418 2.630 4.292 1.00 0.00 N ATOM 944 CA THR A 66 -11.763 3.163 4.108 1.00 0.00 C ATOM 945 C THR A 66 -11.720 4.660 3.819 1.00 0.00 C ATOM 946 O THR A 66 -11.249 5.448 4.640 1.00 0.00 O ATOM 947 CB THR A 66 -12.614 2.896 5.351 1.00 0.00 C ATOM 948 OG1 THR A 66 -12.617 1.515 5.669 1.00 0.00 O ATOM 949 CG2 THR A 66 -14.053 3.335 5.198 1.00 0.00 C ATOM 0 H THR A 66 -9.769 3.270 4.751 1.00 0.00 H new ATOM 0 HA THR A 66 -12.213 2.659 3.253 1.00 0.00 H new ATOM 0 HB THR A 66 -12.156 3.484 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.165 1.364 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.600 3.116 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.088 4.407 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.511 2.799 4.367 1.00 0.00 H new ATOM 957 N CYS A 67 -12.215 5.046 2.648 1.00 0.00 N ATOM 958 CA CYS A 67 -12.233 6.449 2.251 1.00 0.00 C ATOM 959 C CYS A 67 -13.460 6.758 1.397 1.00 0.00 C ATOM 960 O CYS A 67 -14.379 7.444 1.844 1.00 0.00 O ATOM 961 CB CYS A 67 -10.959 6.800 1.480 1.00 0.00 C ATOM 962 SG CYS A 67 -10.846 8.535 0.990 1.00 0.00 S ATOM 0 H CYS A 67 -12.609 4.407 1.957 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.280 7.055 3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.095 6.551 2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.905 6.177 0.587 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.267 8.669 -0.232 1.00 0.00 H new ATOM 968 N LYS A 68 -13.467 6.247 0.170 1.00 0.00 N ATOM 969 CA LYS A 68 -14.581 6.469 -0.743 1.00 0.00 C ATOM 970 C LYS A 68 -14.404 5.661 -2.027 1.00 0.00 C ATOM 971 O LYS A 68 -13.340 5.090 -2.270 1.00 0.00 O ATOM 972 CB LYS A 68 -14.708 7.959 -1.074 1.00 0.00 C ATOM 973 CG LYS A 68 -15.928 8.618 -0.452 1.00 0.00 C ATOM 974 CD LYS A 68 -16.149 10.014 -1.009 1.00 0.00 C ATOM 975 CE LYS A 68 -15.509 11.075 -0.128 1.00 0.00 C ATOM 976 NZ LYS A 68 -16.499 11.713 0.782 1.00 0.00 N ATOM 0 H LYS A 68 -12.714 5.677 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.494 6.135 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.812 8.476 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.752 8.080 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.810 8.006 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.803 8.672 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.733 10.075 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.218 10.207 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.712 10.624 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.048 11.838 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.023 12.430 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.247 12.166 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.920 10.989 1.399 1.00 0.00 H new ATOM 990 N PRO A 69 -15.451 5.601 -2.869 1.00 0.00 N ATOM 991 CA PRO A 69 -15.409 4.856 -4.133 1.00 0.00 C ATOM 992 C PRO A 69 -14.308 5.355 -5.063 1.00 0.00 C ATOM 993 O PRO A 69 -14.301 6.517 -5.467 1.00 0.00 O ATOM 994 CB PRO A 69 -16.786 5.114 -4.754 1.00 0.00 C ATOM 995 CG PRO A 69 -17.654 5.527 -3.615 1.00 0.00 C ATOM 996 CD PRO A 69 -16.755 6.249 -2.653 1.00 0.00 C ATOM 0 HA PRO A 69 -15.193 3.800 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.736 5.893 -5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.173 4.219 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.463 6.174 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.117 4.661 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.714 7.318 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.095 6.139 -1.623 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.381 4.464 -5.403 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.276 4.809 -6.291 1.00 0.00 C ATOM 1006 C ASN A 70 -11.438 5.946 -5.710 1.00 0.00 C ATOM 1007 O ASN A 70 -11.142 6.926 -6.395 1.00 0.00 O ATOM 1008 CB ASN A 70 -12.810 5.204 -7.670 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.205 4.001 -8.503 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.671 2.991 -7.975 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.019 4.103 -9.814 1.00 0.00 N ATOM 0 H ASN A 70 -13.373 3.498 -5.077 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.637 3.932 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.674 5.858 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.049 5.776 -8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.265 3.325 -10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.630 4.959 -10.209 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.056 5.808 -4.445 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.250 6.824 -3.776 1.00 0.00 C ATOM 1020 C TYR A 71 -8.865 6.282 -3.433 1.00 0.00 C ATOM 1021 O TYR A 71 -7.882 7.022 -3.432 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.952 7.311 -2.506 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.696 8.614 -2.688 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.804 8.692 -3.522 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.290 9.767 -2.027 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.487 9.882 -3.692 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.968 10.959 -2.191 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.065 11.012 -3.024 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.743 12.197 -3.191 1.00 0.00 O ATOM 0 H TYR A 71 -11.291 5.004 -3.863 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.131 7.665 -4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.653 6.546 -2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.212 7.432 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.137 7.809 -4.046 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.430 9.730 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.346 9.926 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.640 11.846 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.319 12.896 -2.650 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.796 4.986 -3.143 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.527 4.369 -2.803 1.00 0.00 C ATOM 1041 C GLY A 72 -7.048 3.406 -3.871 1.00 0.00 C ATOM 1042 O GLY A 72 -7.652 3.302 -4.939 1.00 0.00 O ATOM 0 H GLY A 72 -9.596 4.353 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.777 5.146 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.627 3.837 -1.857 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.958 2.701 -3.582 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.398 1.742 -4.527 1.00 0.00 C ATOM 1048 C VAL A 73 -4.561 0.689 -3.810 1.00 0.00 C ATOM 1049 O VAL A 73 -4.161 0.876 -2.661 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.524 2.441 -5.585 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.385 3.257 -6.536 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.475 3.318 -4.917 1.00 0.00 C ATOM 0 H VAL A 73 -5.446 2.776 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.240 1.259 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.008 1.676 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.749 3.743 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.093 2.600 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.931 4.014 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.867 3.804 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.968 4.076 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.837 2.703 -4.282 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.300 -0.420 -4.495 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.510 -1.504 -3.924 1.00 0.00 C ATOM 1064 C LEU A 74 -2.269 -1.776 -4.768 1.00 0.00 C ATOM 1065 O LEU A 74 -2.361 -2.329 -5.865 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.355 -2.774 -3.812 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.231 -2.858 -2.560 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.626 -3.352 -2.913 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.589 -3.766 -1.521 1.00 0.00 C ATOM 0 H LEU A 74 -4.625 -0.591 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.189 -1.201 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.996 -2.845 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.690 -3.638 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.320 -1.858 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.233 -3.405 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.088 -2.663 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.558 -4.343 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.225 -3.814 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.469 -4.766 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.613 -3.368 -1.244 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.110 -1.381 -4.252 1.00 0.00 N ATOM 1082 CA VAL A 75 0.150 -1.580 -4.959 1.00 0.00 C ATOM 1083 C VAL A 75 1.185 -2.252 -4.062 1.00 0.00 C ATOM 1084 O VAL A 75 1.041 -2.276 -2.841 1.00 0.00 O ATOM 1085 CB VAL A 75 0.723 -0.246 -5.477 1.00 0.00 C ATOM 1086 CG1 VAL A 75 0.031 0.169 -6.765 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.593 0.840 -4.419 1.00 0.00 C ATOM 0 H VAL A 75 -1.017 -0.921 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.065 -2.228 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 75 1.783 -0.387 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.449 1.113 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.183 -0.599 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.036 0.291 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.003 1.774 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.459 0.981 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.141 0.544 -3.525 1.00 0.00 H new ATOM 1097 N ARG A 76 2.226 -2.800 -4.679 1.00 0.00 N ATOM 1098 CA ARG A 76 3.286 -3.476 -3.939 1.00 0.00 C ATOM 1099 C ARG A 76 4.440 -2.524 -3.635 1.00 0.00 C ATOM 1100 O ARG A 76 4.652 -1.541 -4.343 1.00 0.00 O ATOM 1101 CB ARG A 76 3.802 -4.679 -4.734 1.00 0.00 C ATOM 1102 CG ARG A 76 2.699 -5.607 -5.217 1.00 0.00 C ATOM 1103 CD ARG A 76 3.104 -6.339 -6.485 1.00 0.00 C ATOM 1104 NE ARG A 76 2.332 -7.564 -6.682 1.00 0.00 N ATOM 1105 CZ ARG A 76 2.577 -8.706 -6.044 1.00 0.00 C ATOM 1106 NH1 ARG A 76 3.572 -8.784 -5.169 1.00 0.00 N ATOM 1107 NH2 ARG A 76 1.827 -9.773 -6.282 1.00 0.00 N ATOM 0 H ARG A 76 2.359 -2.789 -5.690 1.00 0.00 H new ATOM 0 HA ARG A 76 2.867 -3.821 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.366 -4.320 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.495 -5.245 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.463 -6.331 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.792 -5.031 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.965 -5.681 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.165 -6.583 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 76 1.560 -7.543 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.153 -7.966 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.756 -9.662 -4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.062 -9.719 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.015 -10.648 -5.793 1.00 0.00 H new ATOM 1121 N PRO A 77 5.209 -2.807 -2.565 1.00 0.00 N ATOM 1122 CA PRO A 77 6.347 -1.975 -2.173 1.00 0.00 C ATOM 1123 C PRO A 77 7.213 -1.624 -3.373 1.00 0.00 C ATOM 1124 O PRO A 77 7.415 -0.454 -3.691 1.00 0.00 O ATOM 1125 CB PRO A 77 7.111 -2.868 -1.197 1.00 0.00 C ATOM 1126 CG PRO A 77 6.061 -3.730 -0.587 1.00 0.00 C ATOM 1127 CD PRO A 77 5.032 -3.962 -1.662 1.00 0.00 C ATOM 0 HA PRO A 77 6.045 -1.021 -1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.866 -3.464 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.630 -2.278 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.484 -4.674 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.615 -3.245 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.199 -4.906 -2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.023 -3.999 -1.251 1.00 0.00 H new ATOM 1135 N SER A 78 7.702 -2.660 -4.049 1.00 0.00 N ATOM 1136 CA SER A 78 8.522 -2.474 -5.233 1.00 0.00 C ATOM 1137 C SER A 78 7.764 -1.638 -6.256 1.00 0.00 C ATOM 1138 O SER A 78 8.364 -0.988 -7.111 1.00 0.00 O ATOM 1139 CB SER A 78 8.904 -3.827 -5.838 1.00 0.00 C ATOM 1140 OG SER A 78 7.793 -4.706 -5.869 1.00 0.00 O ATOM 0 H SER A 78 7.542 -3.635 -3.794 1.00 0.00 H new ATOM 0 HA SER A 78 9.436 -1.953 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.285 -3.682 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.709 -4.275 -5.255 1.00 0.00 H new ATOM 0 HG SER A 78 8.064 -5.562 -6.262 1.00 0.00 H new ATOM 1146 N ARG A 79 6.435 -1.646 -6.146 1.00 0.00 N ATOM 1147 CA ARG A 79 5.597 -0.873 -7.046 1.00 0.00 C ATOM 1148 C ARG A 79 5.441 0.556 -6.534 1.00 0.00 C ATOM 1149 O ARG A 79 4.972 1.435 -7.257 1.00 0.00 O ATOM 1150 CB ARG A 79 4.223 -1.532 -7.200 1.00 0.00 C ATOM 1151 CG ARG A 79 4.123 -2.456 -8.402 1.00 0.00 C ATOM 1152 CD ARG A 79 3.793 -1.686 -9.671 1.00 0.00 C ATOM 1153 NE ARG A 79 3.915 -2.520 -10.864 1.00 0.00 N ATOM 1154 CZ ARG A 79 5.073 -2.791 -11.465 1.00 0.00 C ATOM 1155 NH1 ARG A 79 6.209 -2.299 -10.986 1.00 0.00 N ATOM 1156 NH2 ARG A 79 5.094 -3.558 -12.547 1.00 0.00 N ATOM 0 H ARG A 79 5.923 -2.179 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 79 6.080 -0.843 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.998 -2.099 -6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.464 -0.754 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.065 -2.988 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.355 -3.208 -8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.778 -1.295 -9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.460 -0.828 -9.758 1.00 0.00 H new ATOM 0 HE ARG A 79 3.064 -2.918 -11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.199 -1.710 -10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.092 -2.510 -11.451 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.224 -3.940 -12.918 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.980 -3.766 -13.008 1.00 0.00 H new ATOM 1170 N VAL A 80 5.843 0.792 -5.281 1.00 0.00 N ATOM 1171 CA VAL A 80 5.744 2.125 -4.693 1.00 0.00 C ATOM 1172 C VAL A 80 7.115 2.650 -4.278 1.00 0.00 C ATOM 1173 O VAL A 80 7.882 1.958 -3.610 1.00 0.00 O ATOM 1174 CB VAL A 80 4.808 2.140 -3.470 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.363 1.947 -3.901 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.218 1.074 -2.467 1.00 0.00 C ATOM 0 H VAL A 80 6.236 0.083 -4.662 1.00 0.00 H new ATOM 0 HA VAL A 80 5.327 2.774 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 80 4.893 3.113 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.717 1.960 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.074 2.752 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.261 0.990 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.544 1.102 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.166 0.092 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.238 1.263 -2.132 1.00 0.00 H new ATOM 1186 N THR A 81 7.416 3.881 -4.681 1.00 0.00 N ATOM 1187 CA THR A 81 8.695 4.501 -4.351 1.00 0.00 C ATOM 1188 C THR A 81 8.675 5.071 -2.937 1.00 0.00 C ATOM 1189 O THR A 81 7.727 5.750 -2.543 1.00 0.00 O ATOM 1190 CB THR A 81 9.022 5.608 -5.355 1.00 0.00 C ATOM 1191 OG1 THR A 81 7.853 6.328 -5.706 1.00 0.00 O ATOM 1192 CG2 THR A 81 9.645 5.091 -6.633 1.00 0.00 C ATOM 0 H THR A 81 6.793 4.468 -5.236 1.00 0.00 H new ATOM 0 HA THR A 81 9.467 3.733 -4.402 1.00 0.00 H new ATOM 0 HB THR A 81 9.745 6.251 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.083 7.032 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.852 5.927 -7.301 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.576 4.573 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.957 4.400 -7.119 1.00 0.00 H new