USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 394 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 Single : A 421 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.89) USER MOD Single : A 425 ASN : amide:sc= -0.77 K(o=-0.77,f=-4.3!) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.31) USER MOD Single : A 437 GLN :FLIP amide:sc= -0.416 F(o=-2.3,f=-0.42) USER MOD Single : A 439 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.554) USER MOD Single : A 442 SER OG : rot 180:sc= -0.936 USER MOD Single : A 446 ASN : amide:sc= -0.654 K(o=-0.65,f=-8.4!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 101:sc= 0.08 USER MOD Single : A 451 MET CE :methyl -177:sc= -0.062 (180deg=-0.0932) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= 0.127 K(o=0.13,f=-3.7!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.126 2.031 5.695 1.00 0.00 N ATOM 67 CA PHE A 420 -9.625 0.681 5.463 1.00 0.00 C ATOM 68 C PHE A 420 -8.724 0.231 6.610 1.00 0.00 C ATOM 69 O PHE A 420 -8.263 1.048 7.407 1.00 0.00 O ATOM 70 CB PHE A 420 -8.856 0.620 4.142 1.00 0.00 C ATOM 71 CG PHE A 420 -9.746 0.535 2.935 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.464 -0.619 2.666 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.863 1.610 2.067 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.284 -0.699 1.557 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.681 1.535 0.956 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.392 0.379 0.700 1.00 0.00 C ATOM 0 HA PHE A 420 -10.480 0.007 5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.225 1.505 4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.193 -0.245 4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.382 -1.466 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.308 2.516 2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.840 -1.604 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.764 2.380 0.288 1.00 0.00 H new ATOM 0 HZ PHE A 420 -12.031 0.318 -0.168 1.00 0.00 H new ATOM 86 N GLN A 421 -8.478 -1.073 6.685 1.00 0.00 N ATOM 87 CA GLN A 421 -7.634 -1.632 7.734 1.00 0.00 C ATOM 88 C GLN A 421 -6.413 -2.326 7.139 1.00 0.00 C ATOM 89 O GLN A 421 -6.492 -3.000 6.112 1.00 0.00 O ATOM 90 CB GLN A 421 -8.431 -2.619 8.588 1.00 0.00 C ATOM 91 CG GLN A 421 -9.295 -1.950 9.645 1.00 0.00 C ATOM 92 CD GLN A 421 -10.549 -1.326 9.064 1.00 0.00 C ATOM 93 OE1 GLN A 421 -10.625 -0.110 8.885 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.541 -2.157 8.766 1.00 0.00 N ATOM 0 H GLN A 421 -8.851 -1.762 6.032 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.291 -0.812 8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -9.067 -3.219 7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.739 -3.305 9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.575 -2.686 10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -8.712 -1.181 10.152 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.435 -3.158 8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -12.409 -1.794 8.372 1.00 0.00 H new ATOM 103 N PRO A 422 -5.257 -2.158 7.797 1.00 0.00 N ATOM 104 CA PRO A 422 -3.997 -2.761 7.351 1.00 0.00 C ATOM 105 C PRO A 422 -3.987 -4.276 7.521 1.00 0.00 C ATOM 106 O PRO A 422 -4.816 -4.835 8.239 1.00 0.00 O ATOM 107 CB PRO A 422 -2.952 -2.114 8.262 1.00 0.00 C ATOM 108 CG PRO A 422 -3.705 -1.728 9.489 1.00 0.00 C ATOM 109 CD PRO A 422 -5.090 -1.367 9.028 1.00 0.00 C ATOM 0 HA PRO A 422 -3.819 -2.593 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.145 -2.809 8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.497 -1.245 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.734 -2.550 10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.229 -0.886 9.991 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.842 -1.623 9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.183 -0.298 8.835 1.00 0.00 H new ATOM 117 N GLY A 423 -3.044 -4.936 6.856 1.00 0.00 N ATOM 118 CA GLY A 423 -2.944 -6.381 6.948 1.00 0.00 C ATOM 119 C GLY A 423 -3.418 -7.076 5.687 1.00 0.00 C ATOM 120 O GLY A 423 -2.993 -8.192 5.389 1.00 0.00 O ATOM 0 H GLY A 423 -2.347 -4.496 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.909 -6.659 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.534 -6.730 7.795 1.00 0.00 H new ATOM 124 N ASP A 424 -4.301 -6.416 4.946 1.00 0.00 N ATOM 125 CA ASP A 424 -4.834 -6.978 3.711 1.00 0.00 C ATOM 126 C ASP A 424 -3.832 -6.830 2.570 1.00 0.00 C ATOM 127 O ASP A 424 -2.897 -6.035 2.652 1.00 0.00 O ATOM 128 CB ASP A 424 -6.151 -6.295 3.341 1.00 0.00 C ATOM 129 CG ASP A 424 -7.308 -6.763 4.202 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.811 -7.881 3.964 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.711 -6.011 5.114 1.00 0.00 O ATOM 0 H ASP A 424 -4.663 -5.491 5.179 1.00 0.00 H new ATOM 0 HA ASP A 424 -5.018 -8.040 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -6.039 -5.216 3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.378 -6.493 2.294 1.00 0.00 H new ATOM 136 N ASN A 425 -4.034 -7.603 1.507 1.00 0.00 N ATOM 137 CA ASN A 425 -3.148 -7.558 0.351 1.00 0.00 C ATOM 138 C ASN A 425 -3.728 -6.671 -0.746 1.00 0.00 C ATOM 139 O ASN A 425 -4.877 -6.843 -1.156 1.00 0.00 O ATOM 140 CB ASN A 425 -2.911 -8.970 -0.191 1.00 0.00 C ATOM 141 CG ASN A 425 -2.833 -10.007 0.912 1.00 0.00 C ATOM 142 OD1 ASN A 425 -2.668 -9.670 2.085 1.00 0.00 O ATOM 143 ND2 ASN A 425 -2.949 -11.276 0.541 1.00 0.00 N ATOM 0 H ASN A 425 -4.803 -8.267 1.423 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.196 -7.134 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.716 -9.233 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.985 -8.985 -0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.903 -12.018 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.085 -11.509 -0.443 1.00 0.00 H new ATOM 150 N VAL A 426 -2.926 -5.722 -1.219 1.00 0.00 N ATOM 151 CA VAL A 426 -3.359 -4.809 -2.270 1.00 0.00 C ATOM 152 C VAL A 426 -2.201 -4.444 -3.192 1.00 0.00 C ATOM 153 O VAL A 426 -1.042 -4.720 -2.887 1.00 0.00 O ATOM 154 CB VAL A 426 -3.958 -3.519 -1.680 1.00 0.00 C ATOM 155 CG1 VAL A 426 -5.178 -3.837 -0.829 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.913 -2.768 -0.869 1.00 0.00 C ATOM 0 H VAL A 426 -1.973 -5.566 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.127 -5.328 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.276 -2.878 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.588 -2.913 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.933 -4.328 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.889 -4.498 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -3.354 -1.859 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.562 -3.400 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -2.073 -2.506 -1.512 1.00 0.00 H new ATOM 166 N GLU A 427 -2.524 -3.820 -4.321 1.00 0.00 N ATOM 167 CA GLU A 427 -1.510 -3.417 -5.287 1.00 0.00 C ATOM 168 C GLU A 427 -1.840 -2.052 -5.886 1.00 0.00 C ATOM 169 O GLU A 427 -2.988 -1.609 -5.852 1.00 0.00 O ATOM 170 CB GLU A 427 -1.392 -4.459 -6.401 1.00 0.00 C ATOM 171 CG GLU A 427 -2.335 -4.214 -7.567 1.00 0.00 C ATOM 172 CD GLU A 427 -3.791 -4.177 -7.141 1.00 0.00 C ATOM 173 OE1 GLU A 427 -4.099 -4.680 -6.041 1.00 0.00 O ATOM 174 OE2 GLU A 427 -4.620 -3.646 -7.909 1.00 0.00 O ATOM 0 H GLU A 427 -3.479 -3.583 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.556 -3.344 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -0.366 -4.469 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -1.591 -5.447 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -2.076 -3.270 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -2.198 -4.998 -8.312 1.00 0.00 H new ATOM 181 N VAL A 428 -0.825 -1.391 -6.432 1.00 0.00 N ATOM 182 CA VAL A 428 -1.007 -0.077 -7.039 1.00 0.00 C ATOM 183 C VAL A 428 -1.779 -0.179 -8.349 1.00 0.00 C ATOM 184 O VAL A 428 -1.753 -1.213 -9.018 1.00 0.00 O ATOM 185 CB VAL A 428 0.346 0.609 -7.305 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.147 1.893 -8.097 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.069 0.887 -5.996 1.00 0.00 C ATOM 0 H VAL A 428 0.132 -1.743 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.578 0.523 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 428 0.964 -0.064 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.114 2.364 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.326 1.662 -9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.490 2.574 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.023 1.372 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.457 1.541 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.246 -0.052 -5.471 1.00 0.00 H new ATOM 197 N CYS A 429 -2.466 0.899 -8.710 1.00 0.00 N ATOM 198 CA CYS A 429 -3.247 0.932 -9.941 1.00 0.00 C ATOM 199 C CYS A 429 -2.513 1.706 -11.031 1.00 0.00 C ATOM 200 O CYS A 429 -2.484 1.290 -12.188 1.00 0.00 O ATOM 201 CB CYS A 429 -4.616 1.564 -9.684 1.00 0.00 C ATOM 202 SG CYS A 429 -5.792 1.355 -11.041 1.00 0.00 S ATOM 0 H CYS A 429 -2.498 1.762 -8.167 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.386 -0.094 -10.281 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.041 1.129 -8.779 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.483 2.629 -9.494 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.920 1.921 -10.729 1.00 0.00 H new ATOM 208 N GLU A 430 -1.922 2.835 -10.652 1.00 0.00 N ATOM 209 CA GLU A 430 -1.190 3.668 -11.598 1.00 0.00 C ATOM 210 C GLU A 430 0.059 4.259 -10.950 1.00 0.00 C ATOM 211 O GLU A 430 0.126 4.413 -9.731 1.00 0.00 O ATOM 212 CB GLU A 430 -2.086 4.792 -12.122 1.00 0.00 C ATOM 213 CG GLU A 430 -1.541 5.476 -13.365 1.00 0.00 C ATOM 214 CD GLU A 430 -2.506 6.495 -13.940 1.00 0.00 C ATOM 215 OE1 GLU A 430 -3.058 7.297 -13.159 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.708 6.489 -15.173 1.00 0.00 O ATOM 0 H GLU A 430 -1.936 3.193 -9.697 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.882 3.039 -12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.072 4.385 -12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.218 5.536 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -0.600 5.969 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.319 4.723 -14.122 1.00 0.00 H new ATOM 223 N GLY A 431 1.048 4.588 -11.776 1.00 0.00 N ATOM 224 CA GLY A 431 2.282 5.157 -11.266 1.00 0.00 C ATOM 225 C GLY A 431 3.450 4.197 -11.371 1.00 0.00 C ATOM 226 O GLY A 431 3.261 2.982 -11.412 1.00 0.00 O ATOM 0 H GLY A 431 1.017 4.471 -12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.514 6.068 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.143 5.443 -10.223 1.00 0.00 H new ATOM 230 N GLU A 432 4.661 4.744 -11.417 1.00 0.00 N ATOM 231 CA GLU A 432 5.864 3.927 -11.521 1.00 0.00 C ATOM 232 C GLU A 432 5.777 2.711 -10.602 1.00 0.00 C ATOM 233 O GLU A 432 6.351 1.660 -10.889 1.00 0.00 O ATOM 234 CB GLU A 432 7.102 4.755 -11.173 1.00 0.00 C ATOM 235 CG GLU A 432 7.437 5.815 -12.209 1.00 0.00 C ATOM 236 CD GLU A 432 8.416 6.850 -11.691 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.037 7.622 -10.785 1.00 0.00 O ATOM 238 OE2 GLU A 432 9.559 6.889 -12.190 1.00 0.00 O ATOM 0 H GLU A 432 4.835 5.749 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 432 5.947 3.578 -12.550 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.946 5.238 -10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.956 4.087 -11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 432 7.857 5.334 -13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 432 6.520 6.313 -12.523 1.00 0.00 H new ATOM 245 N LEU A 433 5.057 2.864 -9.497 1.00 0.00 N ATOM 246 CA LEU A 433 4.894 1.780 -8.534 1.00 0.00 C ATOM 247 C LEU A 433 3.735 0.870 -8.929 1.00 0.00 C ATOM 248 O LEU A 433 3.141 0.202 -8.081 1.00 0.00 O ATOM 249 CB LEU A 433 4.659 2.346 -7.133 1.00 0.00 C ATOM 250 CG LEU A 433 5.893 2.893 -6.414 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.483 3.823 -5.282 1.00 0.00 C ATOM 252 CD2 LEU A 433 6.750 1.752 -5.885 1.00 0.00 C ATOM 0 H LEU A 433 4.577 3.728 -9.245 1.00 0.00 H new ATOM 0 HA LEU A 433 5.810 1.190 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.921 3.145 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.221 1.562 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 433 6.484 3.464 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.374 4.202 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.911 4.658 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 433 4.870 3.276 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.624 2.159 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.168 1.154 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.073 1.124 -6.716 1.00 0.00 H new ATOM 264 N ILE A 434 3.420 0.848 -10.219 1.00 0.00 N ATOM 265 CA ILE A 434 2.334 0.018 -10.726 1.00 0.00 C ATOM 266 C ILE A 434 2.663 -1.464 -10.584 1.00 0.00 C ATOM 267 O ILE A 434 3.817 -1.837 -10.378 1.00 0.00 O ATOM 268 CB ILE A 434 2.033 0.326 -12.205 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.717 -0.331 -12.627 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.176 -0.150 -13.088 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.149 0.227 -13.914 1.00 0.00 C ATOM 0 H ILE A 434 3.901 1.395 -10.933 1.00 0.00 H new ATOM 0 HA ILE A 434 1.453 0.251 -10.128 1.00 0.00 H new ATOM 0 HB ILE A 434 1.933 1.405 -12.324 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.876 -1.403 -12.744 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.016 -0.203 -11.830 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.949 0.075 -14.130 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.095 0.359 -12.799 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.304 -1.226 -12.968 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.783 -0.285 -14.152 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.043 1.293 -13.795 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.863 0.075 -14.723 1.00 0.00 H new ATOM 283 N ASN A 435 1.639 -2.305 -10.696 1.00 0.00 N ATOM 284 CA ASN A 435 1.820 -3.747 -10.581 1.00 0.00 C ATOM 285 C ASN A 435 2.670 -4.094 -9.363 1.00 0.00 C ATOM 286 O ASN A 435 3.412 -5.077 -9.370 1.00 0.00 O ATOM 287 CB ASN A 435 2.473 -4.303 -11.848 1.00 0.00 C ATOM 288 CG ASN A 435 1.606 -4.112 -13.078 1.00 0.00 C ATOM 289 OD1 ASN A 435 0.396 -4.336 -13.038 1.00 0.00 O ATOM 290 ND2 ASN A 435 2.223 -3.696 -14.177 1.00 0.00 N ATOM 0 H ASN A 435 0.677 -2.012 -10.866 1.00 0.00 H new ATOM 0 HA ASN A 435 0.837 -4.202 -10.457 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.433 -3.811 -12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 435 2.677 -5.365 -11.712 1.00 0.00 H new ATOM 0 HD21 ASN A 435 1.692 -3.549 -15.035 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.228 -3.523 -14.163 1.00 0.00 H new ATOM 297 N LEU A 436 2.556 -3.282 -8.318 1.00 0.00 N ATOM 298 CA LEU A 436 3.314 -3.502 -7.091 1.00 0.00 C ATOM 299 C LEU A 436 2.453 -4.189 -6.036 1.00 0.00 C ATOM 300 O LEU A 436 1.581 -3.565 -5.432 1.00 0.00 O ATOM 301 CB LEU A 436 3.843 -2.173 -6.549 1.00 0.00 C ATOM 302 CG LEU A 436 4.675 -2.253 -5.269 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.027 -2.889 -5.551 1.00 0.00 C ATOM 304 CD2 LEU A 436 4.851 -0.870 -4.659 1.00 0.00 C ATOM 0 H LEU A 436 1.946 -2.465 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 436 4.157 -4.152 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.449 -1.703 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 436 2.994 -1.515 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 436 4.144 -2.879 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.606 -2.938 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.881 -3.896 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.565 -2.290 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.446 -0.947 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.360 -0.220 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.874 -0.451 -4.420 1.00 0.00 H new ATOM 316 N GLN A 437 2.707 -5.475 -5.818 1.00 0.00 N ATOM 317 CA GLN A 437 1.956 -6.245 -4.834 1.00 0.00 C ATOM 318 C GLN A 437 2.627 -6.182 -3.466 1.00 0.00 C ATOM 319 O GLN A 437 3.836 -6.377 -3.346 1.00 0.00 O ATOM 320 CB GLN A 437 1.828 -7.701 -5.285 1.00 0.00 C ATOM 321 CG GLN A 437 1.637 -7.859 -6.785 1.00 0.00 C ATOM 322 CD GLN A 437 0.188 -7.716 -7.207 1.00 0.00 C ATOM 323 OE1 GLN A 437 -0.121 -6.630 -7.907 1.00 0.00 O flip ATOM 324 NE2 GLN A 437 -0.646 -8.570 -6.906 1.00 0.00 N flip ATOM 0 H GLN A 437 3.427 -6.005 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 437 0.961 -5.808 -4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 437 2.722 -8.246 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.984 -8.159 -4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 437 2.238 -7.113 -7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 437 2.006 -8.837 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 437 -0.365 -9.389 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 437 -1.618 -8.458 -7.196 1.00 0.00 H new ATOM 333 N GLY A 438 1.833 -5.907 -2.435 1.00 0.00 N ATOM 334 CA GLY A 438 2.368 -5.822 -1.089 1.00 0.00 C ATOM 335 C GLY A 438 1.283 -5.849 -0.031 1.00 0.00 C ATOM 336 O GLY A 438 0.094 -5.827 -0.349 1.00 0.00 O ATOM 0 H GLY A 438 0.829 -5.742 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.055 -6.651 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.946 -4.904 -0.989 1.00 0.00 H new ATOM 340 N LYS A 439 1.692 -5.899 1.233 1.00 0.00 N ATOM 341 CA LYS A 439 0.747 -5.930 2.343 1.00 0.00 C ATOM 342 C LYS A 439 0.646 -4.561 3.009 1.00 0.00 C ATOM 343 O LYS A 439 1.627 -3.821 3.079 1.00 0.00 O ATOM 344 CB LYS A 439 1.171 -6.980 3.372 1.00 0.00 C ATOM 345 CG LYS A 439 0.572 -8.353 3.122 1.00 0.00 C ATOM 346 CD LYS A 439 1.421 -9.165 2.159 1.00 0.00 C ATOM 347 CE LYS A 439 2.630 -9.771 2.856 1.00 0.00 C ATOM 348 NZ LYS A 439 3.386 -10.688 1.959 1.00 0.00 N ATOM 0 H LYS A 439 2.672 -5.919 1.514 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.233 -6.195 1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.258 -7.061 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 439 0.879 -6.641 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 439 0.480 -8.888 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.434 -8.244 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 439 0.817 -9.959 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.754 -8.528 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 439 3.289 -8.973 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 439 2.303 -10.317 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 3.654 -11.545 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 2.789 -10.951 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 4.244 -10.210 1.617 1.00 0.00 H new ATOM 362 N ILE A 440 -0.545 -4.233 3.498 1.00 0.00 N ATOM 363 CA ILE A 440 -0.773 -2.956 4.162 1.00 0.00 C ATOM 364 C ILE A 440 -0.333 -3.008 5.621 1.00 0.00 C ATOM 365 O ILE A 440 -0.569 -3.996 6.317 1.00 0.00 O ATOM 366 CB ILE A 440 -2.256 -2.544 4.098 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.775 -2.646 2.662 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.437 -1.132 4.634 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.271 -2.456 2.546 1.00 0.00 C ATOM 0 H ILE A 440 -1.367 -4.834 3.447 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.176 -2.214 3.632 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.834 -3.225 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.273 -1.898 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.508 -3.622 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.490 -0.855 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.101 -1.090 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.849 -0.437 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.569 -2.541 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.781 -3.220 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.543 -1.469 2.921 1.00 0.00 H new ATOM 381 N LEU A 441 0.305 -1.937 6.079 1.00 0.00 N ATOM 382 CA LEU A 441 0.777 -1.859 7.458 1.00 0.00 C ATOM 383 C LEU A 441 -0.149 -0.989 8.301 1.00 0.00 C ATOM 384 O LEU A 441 -0.677 -1.433 9.320 1.00 0.00 O ATOM 385 CB LEU A 441 2.200 -1.299 7.500 1.00 0.00 C ATOM 386 CG LEU A 441 3.328 -2.321 7.356 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.661 -1.619 7.150 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.383 -3.229 8.575 1.00 0.00 C ATOM 0 H LEU A 441 0.508 -1.111 5.517 1.00 0.00 H new ATOM 0 HA LEU A 441 0.778 -2.867 7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.302 -0.561 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.333 -0.771 8.444 1.00 0.00 H new ATOM 0 HG LEU A 441 3.126 -2.936 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.452 -2.362 7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.617 -1.012 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.871 -0.979 8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.192 -3.950 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.561 -2.629 9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.436 -3.759 8.677 1.00 0.00 H new ATOM 400 N SER A 442 -0.344 0.253 7.868 1.00 0.00 N ATOM 401 CA SER A 442 -1.205 1.186 8.585 1.00 0.00 C ATOM 402 C SER A 442 -1.953 2.093 7.611 1.00 0.00 C ATOM 403 O SER A 442 -1.558 2.239 6.454 1.00 0.00 O ATOM 404 CB SER A 442 -0.380 2.033 9.556 1.00 0.00 C ATOM 405 OG SER A 442 0.734 2.617 8.903 1.00 0.00 O ATOM 0 H SER A 442 0.083 0.636 7.024 1.00 0.00 H new ATOM 0 HA SER A 442 -1.935 0.607 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 442 -1.007 2.816 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 442 -0.036 1.412 10.383 1.00 0.00 H new ATOM 0 HG SER A 442 1.244 3.155 9.544 1.00 0.00 H new ATOM 411 N VAL A 443 -3.035 2.699 8.089 1.00 0.00 N ATOM 412 CA VAL A 443 -3.838 3.592 7.263 1.00 0.00 C ATOM 413 C VAL A 443 -3.858 5.004 7.838 1.00 0.00 C ATOM 414 O VAL A 443 -4.497 5.260 8.859 1.00 0.00 O ATOM 415 CB VAL A 443 -5.286 3.083 7.130 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.165 4.138 6.476 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.323 1.783 6.340 1.00 0.00 C ATOM 0 H VAL A 443 -3.376 2.588 9.044 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.375 3.612 6.276 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.677 2.887 8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.184 3.761 6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.163 5.042 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.779 4.369 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.353 1.438 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.914 1.951 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.728 1.028 6.854 1.00 0.00 H new ATOM 427 N ASP A 444 -3.155 5.916 7.177 1.00 0.00 N ATOM 428 CA ASP A 444 -3.093 7.304 7.621 1.00 0.00 C ATOM 429 C ASP A 444 -4.019 8.183 6.788 1.00 0.00 C ATOM 430 O ASP A 444 -3.596 8.792 5.806 1.00 0.00 O ATOM 431 CB ASP A 444 -1.658 7.826 7.534 1.00 0.00 C ATOM 432 CG ASP A 444 -0.654 6.861 8.134 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.023 6.129 9.076 1.00 0.00 O ATOM 434 OD2 ASP A 444 0.502 6.838 7.661 1.00 0.00 O ATOM 0 H ASP A 444 -2.620 5.720 6.331 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.423 7.343 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.403 8.008 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.591 8.784 8.050 1.00 0.00 H new ATOM 439 N GLY A 445 -5.286 8.245 7.186 1.00 0.00 N ATOM 440 CA GLY A 445 -6.253 9.051 6.463 1.00 0.00 C ATOM 441 C GLY A 445 -6.107 8.923 4.960 1.00 0.00 C ATOM 442 O GLY A 445 -6.446 7.891 4.383 1.00 0.00 O ATOM 0 H GLY A 445 -5.660 7.751 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.260 8.752 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.136 10.096 6.748 1.00 0.00 H new ATOM 446 N ASN A 446 -5.602 9.975 4.324 1.00 0.00 N ATOM 447 CA ASN A 446 -5.415 9.976 2.878 1.00 0.00 C ATOM 448 C ASN A 446 -4.183 9.164 2.488 1.00 0.00 C ATOM 449 O ASN A 446 -4.137 8.562 1.415 1.00 0.00 O ATOM 450 CB ASN A 446 -5.278 11.410 2.361 1.00 0.00 C ATOM 451 CG ASN A 446 -4.477 12.289 3.302 1.00 0.00 C ATOM 452 OD1 ASN A 446 -3.607 11.809 4.028 1.00 0.00 O ATOM 453 ND2 ASN A 446 -4.769 13.585 3.293 1.00 0.00 N ATOM 0 H ASN A 446 -5.315 10.837 4.787 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.292 9.515 2.423 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.797 11.396 1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.270 11.840 2.222 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -4.264 14.226 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -5.498 13.939 2.674 1.00 0.00 H new ATOM 460 N LYS A 447 -3.187 9.152 3.368 1.00 0.00 N ATOM 461 CA LYS A 447 -1.955 8.413 3.118 1.00 0.00 C ATOM 462 C LYS A 447 -2.050 6.994 3.672 1.00 0.00 C ATOM 463 O LYS A 447 -2.526 6.785 4.789 1.00 0.00 O ATOM 464 CB LYS A 447 -0.764 9.139 3.748 1.00 0.00 C ATOM 465 CG LYS A 447 -0.390 10.426 3.034 1.00 0.00 C ATOM 466 CD LYS A 447 0.606 11.242 3.841 1.00 0.00 C ATOM 467 CE LYS A 447 -0.063 11.928 5.022 1.00 0.00 C ATOM 468 NZ LYS A 447 0.934 12.484 5.979 1.00 0.00 N ATOM 0 H LYS A 447 -3.209 9.646 4.260 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.808 8.354 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.996 9.365 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.098 8.471 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.036 10.191 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.287 11.018 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.404 10.592 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.070 11.991 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.705 12.731 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.705 11.215 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.438 12.943 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.531 11.715 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.530 13.183 5.492 1.00 0.00 H new ATOM 482 N ILE A 448 -1.594 6.025 2.886 1.00 0.00 N ATOM 483 CA ILE A 448 -1.626 4.628 3.300 1.00 0.00 C ATOM 484 C ILE A 448 -0.220 4.038 3.351 1.00 0.00 C ATOM 485 O ILE A 448 0.392 3.772 2.316 1.00 0.00 O ATOM 486 CB ILE A 448 -2.492 3.779 2.351 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.790 4.517 2.013 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.794 2.426 2.977 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.857 4.380 3.077 1.00 0.00 C ATOM 0 H ILE A 448 -1.198 6.182 1.959 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.065 4.604 4.298 1.00 0.00 H new ATOM 0 HB ILE A 448 -1.938 3.614 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.570 5.574 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.179 4.137 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.407 1.838 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.860 1.899 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.332 2.571 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.748 4.928 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.106 3.327 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.487 4.786 4.018 1.00 0.00 H new ATOM 501 N THR A 449 0.286 3.833 4.563 1.00 0.00 N ATOM 502 CA THR A 449 1.619 3.273 4.750 1.00 0.00 C ATOM 503 C THR A 449 1.607 1.758 4.582 1.00 0.00 C ATOM 504 O THR A 449 0.940 1.046 5.334 1.00 0.00 O ATOM 505 CB THR A 449 2.184 3.621 6.140 1.00 0.00 C ATOM 506 OG1 THR A 449 2.092 5.031 6.368 1.00 0.00 O ATOM 507 CG2 THR A 449 3.633 3.175 6.262 1.00 0.00 C ATOM 0 H THR A 449 -0.207 4.046 5.430 1.00 0.00 H new ATOM 0 HA THR A 449 2.258 3.715 3.986 1.00 0.00 H new ATOM 0 HB THR A 449 1.594 3.094 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 449 1.316 5.221 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.010 3.431 7.252 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.695 2.096 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.233 3.677 5.504 1.00 0.00 H new ATOM 515 N ILE A 450 2.350 1.271 3.594 1.00 0.00 N ATOM 516 CA ILE A 450 2.426 -0.160 3.330 1.00 0.00 C ATOM 517 C ILE A 450 3.848 -0.579 2.974 1.00 0.00 C ATOM 518 O ILE A 450 4.697 0.261 2.676 1.00 0.00 O ATOM 519 CB ILE A 450 1.480 -0.573 2.187 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.960 0.018 0.860 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.058 -0.125 2.489 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.609 -0.832 -0.342 1.00 0.00 C ATOM 0 H ILE A 450 2.908 1.847 2.963 1.00 0.00 H new ATOM 0 HA ILE A 450 2.119 -0.666 4.245 1.00 0.00 H new ATOM 0 HB ILE A 450 1.488 -1.660 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.524 1.009 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.041 0.148 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.599 -0.424 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.281 -0.589 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.033 0.959 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.980 -0.352 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.067 -1.815 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.526 -0.941 -0.407 1.00 0.00 H new ATOM 534 N MET A 451 4.101 -1.883 3.005 1.00 0.00 N ATOM 535 CA MET A 451 5.421 -2.414 2.682 1.00 0.00 C ATOM 536 C MET A 451 5.384 -3.206 1.379 1.00 0.00 C ATOM 537 O MET A 451 4.851 -4.314 1.313 1.00 0.00 O ATOM 538 CB MET A 451 5.929 -3.302 3.819 1.00 0.00 C ATOM 539 CG MET A 451 7.289 -3.922 3.544 1.00 0.00 C ATOM 540 SD MET A 451 8.637 -2.736 3.702 1.00 0.00 S ATOM 541 CE MET A 451 9.560 -3.071 2.203 1.00 0.00 C ATOM 0 H MET A 451 3.410 -2.592 3.250 1.00 0.00 H new ATOM 0 HA MET A 451 6.103 -1.573 2.556 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.986 -2.711 4.733 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.206 -4.097 3.999 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.454 -4.748 4.236 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.296 -4.342 2.538 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.457 -2.451 2.182 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.845 -4.123 2.179 1.00 0.00 H new ATOM 0 HE3 MET A 451 8.941 -2.843 1.336 1.00 0.00 H new ATOM 551 N PRO A 452 5.963 -2.627 0.317 1.00 0.00 N ATOM 552 CA PRO A 452 6.010 -3.262 -1.003 1.00 0.00 C ATOM 553 C PRO A 452 6.939 -4.471 -1.033 1.00 0.00 C ATOM 554 O PRO A 452 7.908 -4.541 -0.276 1.00 0.00 O ATOM 555 CB PRO A 452 6.547 -2.153 -1.912 1.00 0.00 C ATOM 556 CG PRO A 452 7.323 -1.262 -1.004 1.00 0.00 C ATOM 557 CD PRO A 452 6.617 -1.307 0.323 1.00 0.00 C ATOM 0 HA PRO A 452 5.035 -3.645 -1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.178 -2.560 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.735 -1.612 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.354 -1.603 -0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.359 -0.244 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.316 -1.209 1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.891 -0.499 0.420 1.00 0.00 H new ATOM 565 N LYS A 453 6.638 -5.421 -1.911 1.00 0.00 N ATOM 566 CA LYS A 453 7.447 -6.627 -2.041 1.00 0.00 C ATOM 567 C LYS A 453 8.471 -6.478 -3.162 1.00 0.00 C ATOM 568 O LYS A 453 8.158 -6.690 -4.334 1.00 0.00 O ATOM 569 CB LYS A 453 6.552 -7.839 -2.311 1.00 0.00 C ATOM 570 CG LYS A 453 5.898 -8.403 -1.062 1.00 0.00 C ATOM 571 CD LYS A 453 5.396 -9.819 -1.286 1.00 0.00 C ATOM 572 CE LYS A 453 6.539 -10.824 -1.278 1.00 0.00 C ATOM 573 NZ LYS A 453 6.231 -12.020 -2.110 1.00 0.00 N ATOM 0 H LYS A 453 5.839 -5.379 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 453 7.981 -6.779 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.775 -7.555 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.146 -8.621 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.614 -8.396 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.066 -7.764 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 453 4.677 -10.078 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 453 4.869 -9.873 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 453 7.445 -10.346 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.741 -11.136 -0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.034 -12.681 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 5.381 -12.491 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 6.063 -11.725 -3.093 1.00 0.00 H new ATOM 587 N HIS A 454 9.695 -6.113 -2.795 1.00 0.00 N ATOM 588 CA HIS A 454 10.765 -5.937 -3.770 1.00 0.00 C ATOM 589 C HIS A 454 12.129 -5.944 -3.086 1.00 0.00 C ATOM 590 O HIS A 454 12.248 -5.591 -1.914 1.00 0.00 O ATOM 591 CB HIS A 454 10.574 -4.629 -4.538 1.00 0.00 C ATOM 592 CG HIS A 454 11.132 -4.664 -5.928 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.480 -4.565 -6.201 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.515 -4.791 -7.126 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.668 -4.627 -7.507 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.491 -4.764 -8.092 1.00 0.00 N ATOM 0 H HIS A 454 9.971 -5.933 -1.829 1.00 0.00 H new ATOM 0 HA HIS A 454 10.725 -6.770 -4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.510 -4.399 -4.588 1.00 0.00 H new ATOM 0 HB3 HIS A 454 11.050 -3.819 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.453 -4.894 -7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.622 -4.575 -8.011 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.333 -4.838 -9.097 1.00 0.00 H new ATOM 604 N GLU A 455 13.155 -6.351 -3.828 1.00 0.00 N ATOM 605 CA GLU A 455 14.510 -6.405 -3.292 1.00 0.00 C ATOM 606 C GLU A 455 15.129 -5.012 -3.234 1.00 0.00 C ATOM 607 O GLU A 455 15.681 -4.608 -2.210 1.00 0.00 O ATOM 608 CB GLU A 455 15.383 -7.328 -4.144 1.00 0.00 C ATOM 609 CG GLU A 455 16.777 -7.543 -3.578 1.00 0.00 C ATOM 610 CD GLU A 455 17.775 -7.978 -4.633 1.00 0.00 C ATOM 611 OE1 GLU A 455 18.352 -7.096 -5.304 1.00 0.00 O ATOM 612 OE2 GLU A 455 17.979 -9.200 -4.787 1.00 0.00 O ATOM 0 H GLU A 455 13.073 -6.648 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 455 14.456 -6.802 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.887 -8.294 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.468 -6.910 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 455 17.123 -6.619 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 455 16.733 -8.297 -2.792 1.00 0.00 H new ATOM 619 N ASP A 456 15.034 -4.282 -4.340 1.00 0.00 N ATOM 620 CA ASP A 456 15.583 -2.934 -4.417 1.00 0.00 C ATOM 621 C ASP A 456 15.024 -2.055 -3.303 1.00 0.00 C ATOM 622 O ASP A 456 15.767 -1.337 -2.631 1.00 0.00 O ATOM 623 CB ASP A 456 15.274 -2.311 -5.779 1.00 0.00 C ATOM 624 CG ASP A 456 16.063 -1.040 -6.027 1.00 0.00 C ATOM 625 OD1 ASP A 456 17.285 -1.138 -6.267 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.459 0.052 -5.981 1.00 0.00 O ATOM 0 H ASP A 456 14.581 -4.602 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 456 16.664 -3.001 -4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.497 -3.033 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.208 -2.092 -5.841 1.00 0.00 H new ATOM 631 N LEU A 457 13.711 -2.115 -3.112 1.00 0.00 N ATOM 632 CA LEU A 457 13.051 -1.323 -2.079 1.00 0.00 C ATOM 633 C LEU A 457 13.206 -1.977 -0.710 1.00 0.00 C ATOM 634 O LEU A 457 12.566 -2.987 -0.415 1.00 0.00 O ATOM 635 CB LEU A 457 11.567 -1.153 -2.410 1.00 0.00 C ATOM 636 CG LEU A 457 11.238 -0.152 -3.518 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.835 -0.393 -4.055 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.378 1.275 -3.008 1.00 0.00 C ATOM 0 H LEU A 457 13.082 -2.703 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 457 13.525 -0.342 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.165 -2.125 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.046 -0.846 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 457 11.947 -0.296 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.618 0.329 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.769 -1.403 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.112 -0.277 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.140 1.973 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.693 1.432 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.402 1.443 -2.673 1.00 0.00 H new ATOM 650 N LYS A 458 14.059 -1.393 0.125 1.00 0.00 N ATOM 651 CA LYS A 458 14.297 -1.916 1.466 1.00 0.00 C ATOM 652 C LYS A 458 13.641 -1.029 2.520 1.00 0.00 C ATOM 653 O LYS A 458 14.257 -0.692 3.531 1.00 0.00 O ATOM 654 CB LYS A 458 15.799 -2.021 1.735 1.00 0.00 C ATOM 655 CG LYS A 458 16.496 -3.077 0.894 1.00 0.00 C ATOM 656 CD LYS A 458 17.967 -3.195 1.254 1.00 0.00 C ATOM 657 CE LYS A 458 18.785 -2.072 0.634 1.00 0.00 C ATOM 658 NZ LYS A 458 20.246 -2.271 0.839 1.00 0.00 N ATOM 0 H LYS A 458 14.597 -0.557 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 458 13.853 -2.910 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.262 -1.053 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.956 -2.247 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.007 -4.040 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.398 -2.825 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 458 18.080 -3.173 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 458 18.350 -4.157 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 458 18.573 -2.015 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 458 18.484 -1.120 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 20.768 -1.485 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 20.453 -2.300 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 20.539 -3.167 0.401 1.00 0.00 H new ATOM 672 N ASP A 459 12.390 -0.654 2.276 1.00 0.00 N ATOM 673 CA ASP A 459 11.650 0.191 3.206 1.00 0.00 C ATOM 674 C ASP A 459 10.202 0.355 2.757 1.00 0.00 C ATOM 675 O ASP A 459 9.885 0.193 1.579 1.00 0.00 O ATOM 676 CB ASP A 459 12.318 1.562 3.323 1.00 0.00 C ATOM 677 CG ASP A 459 12.087 2.205 4.676 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.756 1.798 5.649 1.00 0.00 O ATOM 679 OD2 ASP A 459 11.235 3.115 4.764 1.00 0.00 O ATOM 0 H ASP A 459 11.867 -0.922 1.442 1.00 0.00 H new ATOM 0 HA ASP A 459 11.656 -0.293 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 459 13.389 1.457 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 459 11.934 2.218 2.542 1.00 0.00 H new ATOM 684 N MET A 460 9.326 0.674 3.705 1.00 0.00 N ATOM 685 CA MET A 460 7.911 0.859 3.406 1.00 0.00 C ATOM 686 C MET A 460 7.670 2.201 2.722 1.00 0.00 C ATOM 687 O MET A 460 8.541 3.072 2.717 1.00 0.00 O ATOM 688 CB MET A 460 7.082 0.772 4.689 1.00 0.00 C ATOM 689 CG MET A 460 7.300 1.942 5.635 1.00 0.00 C ATOM 690 SD MET A 460 8.645 1.651 6.800 1.00 0.00 S ATOM 691 CE MET A 460 8.275 2.873 8.056 1.00 0.00 C ATOM 0 H MET A 460 9.571 0.810 4.686 1.00 0.00 H new ATOM 0 HA MET A 460 7.602 0.065 2.727 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.025 0.720 4.426 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.327 -0.155 5.208 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.515 2.839 5.054 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.380 2.133 6.188 1.00 0.00 H new ATOM 0 HE1 MET A 460 9.021 2.818 8.849 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.291 3.868 7.611 1.00 0.00 H new ATOM 0 HE3 MET A 460 7.287 2.678 8.473 1.00 0.00 H new ATOM 701 N LEU A 461 6.485 2.361 2.144 1.00 0.00 N ATOM 702 CA LEU A 461 6.130 3.597 1.456 1.00 0.00 C ATOM 703 C LEU A 461 4.718 4.040 1.826 1.00 0.00 C ATOM 704 O LEU A 461 4.032 3.375 2.601 1.00 0.00 O ATOM 705 CB LEU A 461 6.237 3.410 -0.058 1.00 0.00 C ATOM 706 CG LEU A 461 7.654 3.277 -0.619 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.200 1.881 -0.363 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.670 3.593 -2.108 1.00 0.00 C ATOM 0 H LEU A 461 5.754 1.650 2.138 1.00 0.00 H new ATOM 0 HA LEU A 461 6.829 4.372 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.673 2.519 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.753 4.257 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 461 8.295 3.995 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.209 1.805 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.225 1.691 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.558 1.145 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.686 3.493 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.015 2.899 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.321 4.613 -2.267 1.00 0.00 H new ATOM 720 N GLU A 462 4.290 5.166 1.264 1.00 0.00 N ATOM 721 CA GLU A 462 2.959 5.697 1.535 1.00 0.00 C ATOM 722 C GLU A 462 2.250 6.076 0.237 1.00 0.00 C ATOM 723 O GLU A 462 2.746 6.894 -0.537 1.00 0.00 O ATOM 724 CB GLU A 462 3.049 6.916 2.455 1.00 0.00 C ATOM 725 CG GLU A 462 3.380 6.567 3.896 1.00 0.00 C ATOM 726 CD GLU A 462 3.765 7.783 4.717 1.00 0.00 C ATOM 727 OE1 GLU A 462 3.077 8.819 4.599 1.00 0.00 O ATOM 728 OE2 GLU A 462 4.753 7.699 5.476 1.00 0.00 O ATOM 0 H GLU A 462 4.845 5.728 0.619 1.00 0.00 H new ATOM 0 HA GLU A 462 2.379 4.919 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.810 7.596 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.100 7.452 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 462 2.519 6.081 4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.199 5.848 3.913 1.00 0.00 H new ATOM 735 N PHE A 463 1.088 5.475 0.007 1.00 0.00 N ATOM 736 CA PHE A 463 0.311 5.747 -1.196 1.00 0.00 C ATOM 737 C PHE A 463 -1.137 6.078 -0.846 1.00 0.00 C ATOM 738 O PHE A 463 -1.699 5.570 0.125 1.00 0.00 O ATOM 739 CB PHE A 463 0.357 4.545 -2.142 1.00 0.00 C ATOM 740 CG PHE A 463 1.713 3.906 -2.233 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.839 4.671 -2.491 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.862 2.539 -2.060 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.088 4.086 -2.575 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.109 1.948 -2.142 1.00 0.00 C ATOM 745 CZ PHE A 463 4.223 2.723 -2.401 1.00 0.00 C ATOM 0 H PHE A 463 0.663 4.796 0.638 1.00 0.00 H new ATOM 0 HA PHE A 463 0.752 6.610 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.365 3.801 -1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.047 4.864 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.739 5.738 -2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 463 0.994 1.929 -1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.957 4.694 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.212 0.882 -2.004 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.198 2.263 -2.467 1.00 0.00 H new ATOM 755 N PRO A 464 -1.756 6.951 -1.654 1.00 0.00 N ATOM 756 CA PRO A 464 -3.146 7.369 -1.450 1.00 0.00 C ATOM 757 C PRO A 464 -4.138 6.247 -1.740 1.00 0.00 C ATOM 758 O PRO A 464 -3.965 5.483 -2.689 1.00 0.00 O ATOM 759 CB PRO A 464 -3.324 8.512 -2.454 1.00 0.00 C ATOM 760 CG PRO A 464 -2.319 8.239 -3.519 1.00 0.00 C ATOM 761 CD PRO A 464 -1.148 7.596 -2.830 1.00 0.00 C ATOM 0 HA PRO A 464 -3.337 7.657 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.336 8.529 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.152 9.481 -1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.731 7.581 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -2.020 9.161 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.651 6.870 -3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.398 8.332 -2.542 1.00 0.00 H new ATOM 769 N ALA A 465 -5.177 6.155 -0.916 1.00 0.00 N ATOM 770 CA ALA A 465 -6.197 5.128 -1.086 1.00 0.00 C ATOM 771 C ALA A 465 -6.541 4.934 -2.559 1.00 0.00 C ATOM 772 O ALA A 465 -6.973 3.856 -2.967 1.00 0.00 O ATOM 773 CB ALA A 465 -7.445 5.488 -0.293 1.00 0.00 C ATOM 0 H ALA A 465 -5.334 6.779 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.797 4.187 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.199 4.712 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.194 5.568 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.838 6.442 -0.646 1.00 0.00 H new ATOM 779 N GLN A 466 -6.349 5.984 -3.350 1.00 0.00 N ATOM 780 CA GLN A 466 -6.641 5.929 -4.777 1.00 0.00 C ATOM 781 C GLN A 466 -5.584 5.115 -5.518 1.00 0.00 C ATOM 782 O GLN A 466 -5.911 4.228 -6.306 1.00 0.00 O ATOM 783 CB GLN A 466 -6.714 7.341 -5.360 1.00 0.00 C ATOM 784 CG GLN A 466 -6.906 7.368 -6.868 1.00 0.00 C ATOM 785 CD GLN A 466 -7.595 8.631 -7.346 1.00 0.00 C ATOM 786 OE1 GLN A 466 -8.821 8.682 -7.449 1.00 0.00 O ATOM 787 NE2 GLN A 466 -6.808 9.659 -7.640 1.00 0.00 N ATOM 0 H GLN A 466 -5.992 6.883 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.607 5.440 -4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.537 7.878 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.798 7.876 -5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.935 7.282 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.493 6.501 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -5.797 9.572 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -7.215 10.536 -7.966 1.00 0.00 H new ATOM 796 N GLU A 467 -4.317 5.423 -5.258 1.00 0.00 N ATOM 797 CA GLU A 467 -3.214 4.720 -5.901 1.00 0.00 C ATOM 798 C GLU A 467 -3.251 3.231 -5.571 1.00 0.00 C ATOM 799 O GLU A 467 -2.855 2.393 -6.382 1.00 0.00 O ATOM 800 CB GLU A 467 -1.875 5.317 -5.463 1.00 0.00 C ATOM 801 CG GLU A 467 -1.398 6.456 -6.349 1.00 0.00 C ATOM 802 CD GLU A 467 0.088 6.723 -6.207 1.00 0.00 C ATOM 803 OE1 GLU A 467 0.866 5.746 -6.186 1.00 0.00 O ATOM 804 OE2 GLU A 467 0.473 7.907 -6.117 1.00 0.00 O ATOM 0 H GLU A 467 -4.030 6.154 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.321 4.838 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.965 5.678 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.120 4.531 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.623 6.221 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.951 7.361 -6.100 1.00 0.00 H new ATOM 811 N LEU A 468 -3.729 2.908 -4.374 1.00 0.00 N ATOM 812 CA LEU A 468 -3.818 1.520 -3.934 1.00 0.00 C ATOM 813 C LEU A 468 -5.216 0.960 -4.177 1.00 0.00 C ATOM 814 O LEU A 468 -6.214 1.573 -3.799 1.00 0.00 O ATOM 815 CB LEU A 468 -3.463 1.411 -2.450 1.00 0.00 C ATOM 816 CG LEU A 468 -1.990 1.619 -2.095 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.835 1.910 -0.611 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.169 0.400 -2.491 1.00 0.00 C ATOM 0 H LEU A 468 -4.061 3.589 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.106 0.934 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.055 2.143 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.766 0.426 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.619 2.479 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.780 2.055 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.391 2.813 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.223 1.071 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.123 0.565 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.540 -0.477 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.254 0.237 -3.565 1.00 0.00 H new ATOM 830 N ARG A 469 -5.279 -0.208 -4.807 1.00 0.00 N ATOM 831 CA ARG A 469 -6.554 -0.850 -5.100 1.00 0.00 C ATOM 832 C ARG A 469 -6.433 -2.368 -5.001 1.00 0.00 C ATOM 833 O ARG A 469 -5.336 -2.907 -4.853 1.00 0.00 O ATOM 834 CB ARG A 469 -7.040 -0.457 -6.496 1.00 0.00 C ATOM 835 CG ARG A 469 -7.224 1.041 -6.677 1.00 0.00 C ATOM 836 CD ARG A 469 -8.167 1.352 -7.829 1.00 0.00 C ATOM 837 NE ARG A 469 -9.557 1.434 -7.391 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.572 1.683 -8.210 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.353 1.874 -9.504 1.00 0.00 N ATOM 840 NH2 ARG A 469 -11.811 1.742 -7.737 1.00 0.00 N ATOM 0 H ARG A 469 -4.462 -0.729 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.281 -0.511 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.326 -0.819 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.987 -0.958 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -7.617 1.474 -5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -6.256 1.508 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -7.876 2.295 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.073 0.581 -8.593 1.00 0.00 H new ATOM 0 HE ARG A 469 -9.760 1.292 -6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -9.403 1.830 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -11.135 2.065 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -11.985 1.596 -6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -12.589 1.933 -8.368 1.00 0.00 H new