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= -0.0078 K(o=-0.0078,f=-1.4!) USER MOD Single : A 425 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.83) USER MOD Single : A 429 CYS SG : rot 143:sc= 0.334 USER MOD Single : A 435 ASN : amide:sc= -8.73! C(o=-8.7!,f=-10!) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 27:sc= 0.27 USER MOD Single : A 446 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ 144:sc= 0.0376 (180deg=-0.074) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl 153:sc= -0.0492 (180deg=-0.388) USER MOD Single : A 453 LYS NZ :NH3+ 161:sc= -0.067 (180deg=-0.389) USER MOD Single : A 454 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-6.2!) 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= -1.73 K(o=-1.7,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.308 1.844 5.728 1.00 0.00 N ATOM 67 CA PHE A 420 -9.520 0.669 5.376 1.00 0.00 C ATOM 68 C PHE A 420 -8.624 0.247 6.537 1.00 0.00 C ATOM 69 O PHE A 420 -8.225 1.073 7.358 1.00 0.00 O ATOM 70 CB PHE A 420 -8.668 0.952 4.137 1.00 0.00 C ATOM 71 CG PHE A 420 -9.466 1.434 2.959 1.00 0.00 C ATOM 72 CD1 PHE A 420 -9.828 2.767 2.849 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.854 0.554 1.961 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.562 3.212 1.766 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.588 0.993 0.876 1.00 0.00 C ATOM 76 CZ PHE A 420 -10.942 2.325 0.778 1.00 0.00 C ATOM 0 HA PHE A 420 -10.209 -0.147 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -7.915 1.700 4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.134 0.044 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -9.533 3.466 3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.579 -0.488 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -10.838 4.253 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.885 0.296 0.106 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.515 2.672 -0.069 1.00 0.00 H new ATOM 86 N GLN A 421 -8.313 -1.044 6.598 1.00 0.00 N ATOM 87 CA GLN A 421 -7.465 -1.576 7.659 1.00 0.00 C ATOM 88 C GLN A 421 -6.224 -2.246 7.079 1.00 0.00 C ATOM 89 O GLN A 421 -6.273 -2.909 6.043 1.00 0.00 O ATOM 90 CB GLN A 421 -8.248 -2.575 8.512 1.00 0.00 C ATOM 91 CG GLN A 421 -9.394 -1.947 9.288 1.00 0.00 C ATOM 92 CD GLN A 421 -9.981 -2.885 10.324 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.343 -3.856 10.732 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.204 -2.600 10.755 1.00 0.00 N ATOM 0 H GLN A 421 -8.635 -1.740 5.926 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.146 -0.744 8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.644 -3.359 7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.565 -3.054 9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.040 -1.042 9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -10.177 -1.645 8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.696 -1.785 10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -11.651 -3.196 11.452 1.00 0.00 H new ATOM 103 N PRO A 422 -5.083 -2.069 7.762 1.00 0.00 N ATOM 104 CA PRO A 422 -3.806 -2.649 7.334 1.00 0.00 C ATOM 105 C PRO A 422 -3.778 -4.166 7.487 1.00 0.00 C ATOM 106 O PRO A 422 -4.599 -4.743 8.199 1.00 0.00 O ATOM 107 CB PRO A 422 -2.788 -1.998 8.273 1.00 0.00 C ATOM 108 CG PRO A 422 -3.570 -1.638 9.489 1.00 0.00 C ATOM 109 CD PRO A 422 -4.951 -1.291 9.005 1.00 0.00 C ATOM 0 HA PRO A 422 -3.609 -2.466 6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.976 -2.684 8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.336 -1.117 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.601 -2.469 10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.116 -0.795 10.010 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.713 -1.566 9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.056 -0.221 8.823 1.00 0.00 H new ATOM 117 N GLY A 423 -2.827 -4.807 6.814 1.00 0.00 N ATOM 118 CA GLY A 423 -2.711 -6.252 6.889 1.00 0.00 C ATOM 119 C GLY A 423 -3.211 -6.940 5.635 1.00 0.00 C ATOM 120 O GLY A 423 -2.802 -8.060 5.328 1.00 0.00 O ATOM 0 H GLY A 423 -2.135 -4.352 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.668 -6.521 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.275 -6.615 7.748 1.00 0.00 H new ATOM 124 N ASP A 424 -4.099 -6.270 4.909 1.00 0.00 N ATOM 125 CA ASP A 424 -4.657 -6.825 3.680 1.00 0.00 C ATOM 126 C ASP A 424 -3.722 -6.579 2.500 1.00 0.00 C ATOM 127 O ASP A 424 -2.912 -5.654 2.519 1.00 0.00 O ATOM 128 CB ASP A 424 -6.029 -6.212 3.396 1.00 0.00 C ATOM 129 CG ASP A 424 -7.114 -6.784 4.288 1.00 0.00 C ATOM 130 OD1 ASP A 424 -6.975 -7.947 4.721 1.00 0.00 O ATOM 131 OD2 ASP A 424 -8.102 -6.067 4.553 1.00 0.00 O ATOM 0 H ASP A 424 -4.448 -5.342 5.149 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.769 -7.901 3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.978 -5.132 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.292 -6.385 2.352 1.00 0.00 H new ATOM 136 N ASN A 425 -3.841 -7.416 1.474 1.00 0.00 N ATOM 137 CA ASN A 425 -3.005 -7.291 0.285 1.00 0.00 C ATOM 138 C ASN A 425 -3.606 -6.292 -0.699 1.00 0.00 C ATOM 139 O ASN A 425 -4.816 -6.275 -0.923 1.00 0.00 O ATOM 140 CB ASN A 425 -2.838 -8.653 -0.391 1.00 0.00 C ATOM 141 CG ASN A 425 -4.103 -9.487 -0.334 1.00 0.00 C ATOM 142 OD1 ASN A 425 -4.354 -10.186 0.648 1.00 0.00 O ATOM 143 ND2 ASN A 425 -4.906 -9.416 -1.389 1.00 0.00 N ATOM 0 H ASN A 425 -4.508 -8.187 1.442 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.026 -6.925 0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.550 -8.506 -1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.026 -9.197 0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -5.772 -9.955 -1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.657 -8.823 -2.181 1.00 0.00 H new ATOM 150 N VAL A 426 -2.751 -5.460 -1.285 1.00 0.00 N ATOM 151 CA VAL A 426 -3.196 -4.459 -2.247 1.00 0.00 C ATOM 152 C VAL A 426 -2.138 -4.216 -3.318 1.00 0.00 C ATOM 153 O VAL A 426 -0.959 -4.505 -3.115 1.00 0.00 O ATOM 154 CB VAL A 426 -3.526 -3.123 -1.555 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.694 -3.292 -0.596 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.303 -2.583 -0.829 1.00 0.00 C ATOM 0 H VAL A 426 -1.746 -5.459 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.099 -4.850 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.816 -2.401 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.912 -2.338 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.571 -3.630 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.437 -4.029 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.554 -1.639 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -1.980 -3.302 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.497 -2.421 -1.545 1.00 0.00 H new ATOM 166 N GLU A 427 -2.568 -3.683 -4.457 1.00 0.00 N ATOM 167 CA GLU A 427 -1.656 -3.401 -5.560 1.00 0.00 C ATOM 168 C GLU A 427 -1.891 -2.000 -6.117 1.00 0.00 C ATOM 169 O GLU A 427 -3.032 -1.583 -6.317 1.00 0.00 O ATOM 170 CB GLU A 427 -1.829 -4.439 -6.671 1.00 0.00 C ATOM 171 CG GLU A 427 -0.571 -4.667 -7.492 1.00 0.00 C ATOM 172 CD GLU A 427 -0.604 -5.974 -8.260 1.00 0.00 C ATOM 173 OE1 GLU A 427 -1.624 -6.246 -8.926 1.00 0.00 O ATOM 174 OE2 GLU A 427 0.392 -6.725 -8.194 1.00 0.00 O ATOM 0 H GLU A 427 -3.541 -3.438 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.637 -3.454 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -2.140 -5.385 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.632 -4.119 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.444 -3.842 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.296 -4.660 -6.831 1.00 0.00 H new ATOM 181 N VAL A 428 -0.803 -1.277 -6.363 1.00 0.00 N ATOM 182 CA VAL A 428 -0.890 0.077 -6.897 1.00 0.00 C ATOM 183 C VAL A 428 -1.665 0.101 -8.210 1.00 0.00 C ATOM 184 O VAL A 428 -1.488 -0.769 -9.064 1.00 0.00 O ATOM 185 CB VAL A 428 0.508 0.680 -7.128 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.396 2.096 -7.672 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.316 0.657 -5.839 1.00 0.00 C ATOM 0 H VAL A 428 0.149 -1.606 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.418 0.676 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 428 1.029 0.073 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.394 2.506 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.143 2.080 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.144 2.718 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.301 1.087 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.800 1.240 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.426 -0.372 -5.497 1.00 0.00 H new ATOM 197 N CYS A 429 -2.523 1.103 -8.366 1.00 0.00 N ATOM 198 CA CYS A 429 -3.326 1.241 -9.576 1.00 0.00 C ATOM 199 C CYS A 429 -2.479 1.761 -10.733 1.00 0.00 C ATOM 200 O CYS A 429 -2.392 1.126 -11.784 1.00 0.00 O ATOM 201 CB CYS A 429 -4.503 2.184 -9.326 1.00 0.00 C ATOM 202 SG CYS A 429 -5.137 2.142 -7.633 1.00 0.00 S ATOM 0 H CYS A 429 -2.681 1.832 -7.670 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.709 0.256 -9.843 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -4.195 3.203 -9.562 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -5.311 1.929 -10.011 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.480 3.342 -7.268 1.00 0.00 H new ATOM 208 N GLU A 430 -1.859 2.919 -10.533 1.00 0.00 N ATOM 209 CA GLU A 430 -1.022 3.525 -11.562 1.00 0.00 C ATOM 210 C GLU A 430 0.218 4.167 -10.947 1.00 0.00 C ATOM 211 O GLU A 430 0.288 4.371 -9.736 1.00 0.00 O ATOM 212 CB GLU A 430 -1.816 4.571 -12.347 1.00 0.00 C ATOM 213 CG GLU A 430 -1.184 4.944 -13.677 1.00 0.00 C ATOM 214 CD GLU A 430 -0.679 3.735 -14.442 1.00 0.00 C ATOM 215 OE1 GLU A 430 -1.480 2.810 -14.686 1.00 0.00 O ATOM 216 OE2 GLU A 430 0.519 3.716 -14.795 1.00 0.00 O ATOM 0 H GLU A 430 -1.920 3.456 -9.668 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.701 2.737 -12.243 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -2.822 4.192 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -1.918 5.469 -11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -1.915 5.475 -14.286 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -0.356 5.631 -13.502 1.00 0.00 H new ATOM 223 N GLY A 431 1.195 4.483 -11.792 1.00 0.00 N ATOM 224 CA GLY A 431 2.419 5.098 -11.313 1.00 0.00 C ATOM 225 C GLY A 431 3.617 4.178 -11.439 1.00 0.00 C ATOM 226 O GLY A 431 3.465 2.976 -11.652 1.00 0.00 O ATOM 0 H GLY A 431 1.161 4.324 -12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.607 6.013 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.293 5.385 -10.269 1.00 0.00 H new ATOM 230 N GLU A 432 4.813 4.746 -11.310 1.00 0.00 N ATOM 231 CA GLU A 432 6.042 3.968 -11.414 1.00 0.00 C ATOM 232 C GLU A 432 5.990 2.745 -10.502 1.00 0.00 C ATOM 233 O GLU A 432 6.719 1.773 -10.706 1.00 0.00 O ATOM 234 CB GLU A 432 7.251 4.834 -11.056 1.00 0.00 C ATOM 235 CG GLU A 432 8.583 4.201 -11.424 1.00 0.00 C ATOM 236 CD GLU A 432 9.707 4.626 -10.499 1.00 0.00 C ATOM 237 OE1 GLU A 432 10.081 5.817 -10.530 1.00 0.00 O ATOM 238 OE2 GLU A 432 10.211 3.769 -9.744 1.00 0.00 O ATOM 0 H GLU A 432 4.956 5.740 -11.134 1.00 0.00 H new ATOM 0 HA GLU A 432 6.141 3.627 -12.445 1.00 0.00 H new ATOM 0 HB2 GLU A 432 7.162 5.795 -11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.238 5.037 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.485 3.116 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 432 8.839 4.472 -12.448 1.00 0.00 H new ATOM 245 N LEU A 433 5.125 2.801 -9.496 1.00 0.00 N ATOM 246 CA LEU A 433 4.978 1.699 -8.551 1.00 0.00 C ATOM 247 C LEU A 433 3.773 0.834 -8.907 1.00 0.00 C ATOM 248 O LEU A 433 3.213 0.149 -8.050 1.00 0.00 O ATOM 249 CB LEU A 433 4.831 2.238 -7.127 1.00 0.00 C ATOM 250 CG LEU A 433 5.949 3.160 -6.640 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.475 3.998 -5.462 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.180 2.350 -6.259 1.00 0.00 C ATOM 0 H LEU A 433 4.515 3.597 -9.313 1.00 0.00 H new ATOM 0 HA LEU A 433 5.875 1.082 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.887 2.778 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.763 1.391 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 433 6.219 3.833 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.284 4.648 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.623 4.606 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.177 3.341 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.966 3.022 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.924 1.652 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.533 1.794 -7.128 1.00 0.00 H new ATOM 264 N ILE A 434 3.379 0.870 -10.176 1.00 0.00 N ATOM 265 CA ILE A 434 2.243 0.087 -10.645 1.00 0.00 C ATOM 266 C ILE A 434 2.537 -1.407 -10.572 1.00 0.00 C ATOM 267 O ILE A 434 3.682 -1.816 -10.385 1.00 0.00 O ATOM 268 CB ILE A 434 1.865 0.455 -12.092 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.519 -0.169 -12.465 1.00 0.00 C ATOM 270 CG2 ILE A 434 2.951 -0.002 -13.055 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.156 0.507 -13.638 1.00 0.00 C ATOM 0 H ILE A 434 3.830 1.433 -10.897 1.00 0.00 H new ATOM 0 HA ILE A 434 1.405 0.322 -9.988 1.00 0.00 H new ATOM 0 HB ILE A 434 1.774 1.539 -12.164 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.669 -1.223 -12.700 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.144 -0.127 -11.601 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.670 0.265 -14.074 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.892 0.484 -12.799 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.070 -1.083 -12.983 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -1.105 0.012 -13.846 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.338 1.555 -13.399 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.488 0.442 -14.515 1.00 0.00 H new ATOM 283 N ASN A 435 1.495 -2.218 -10.722 1.00 0.00 N ATOM 284 CA ASN A 435 1.642 -3.668 -10.675 1.00 0.00 C ATOM 285 C ASN A 435 2.532 -4.087 -9.509 1.00 0.00 C ATOM 286 O ASN A 435 3.202 -5.120 -9.565 1.00 0.00 O ATOM 287 CB ASN A 435 2.227 -4.186 -11.990 1.00 0.00 C ATOM 288 CG ASN A 435 3.570 -3.559 -12.312 1.00 0.00 C ATOM 289 OD1 ASN A 435 3.668 -2.679 -13.168 1.00 0.00 O ATOM 290 ND2 ASN A 435 4.613 -4.009 -11.625 1.00 0.00 N ATOM 0 H ASN A 435 0.540 -1.896 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 435 0.653 -4.103 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 435 2.339 -5.269 -11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 435 1.529 -3.980 -12.801 1.00 0.00 H new ATOM 0 HD21 ASN A 435 5.542 -3.624 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 435 4.486 -4.740 -10.925 1.00 0.00 H new ATOM 297 N LEU A 436 2.535 -3.280 -8.454 1.00 0.00 N ATOM 298 CA LEU A 436 3.343 -3.566 -7.274 1.00 0.00 C ATOM 299 C LEU A 436 2.492 -4.182 -6.168 1.00 0.00 C ATOM 300 O LEU A 436 1.745 -3.483 -5.485 1.00 0.00 O ATOM 301 CB LEU A 436 4.011 -2.287 -6.766 1.00 0.00 C ATOM 302 CG LEU A 436 4.869 -2.431 -5.509 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.225 -3.026 -5.854 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.034 -1.085 -4.818 1.00 0.00 C ATOM 0 H LEU A 436 1.987 -2.422 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 436 4.114 -4.283 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.636 -1.886 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.234 -1.549 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 436 4.362 -3.109 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.822 -3.121 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.087 -4.010 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.739 -2.374 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.648 -1.207 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.518 -0.384 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.055 -0.699 -4.535 1.00 0.00 H new ATOM 316 N GLN A 437 2.613 -5.495 -5.998 1.00 0.00 N ATOM 317 CA GLN A 437 1.856 -6.205 -4.973 1.00 0.00 C ATOM 318 C GLN A 437 2.563 -6.132 -3.624 1.00 0.00 C ATOM 319 O GLN A 437 3.775 -6.328 -3.536 1.00 0.00 O ATOM 320 CB GLN A 437 1.655 -7.666 -5.379 1.00 0.00 C ATOM 321 CG GLN A 437 2.953 -8.399 -5.676 1.00 0.00 C ATOM 322 CD GLN A 437 2.731 -9.854 -6.041 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.318 -10.659 -5.206 1.00 0.00 O ATOM 324 NE2 GLN A 437 3.005 -10.198 -7.294 1.00 0.00 N ATOM 0 H GLN A 437 3.227 -6.088 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 437 0.882 -5.724 -4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 437 1.128 -8.187 -4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.016 -7.705 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.470 -7.898 -6.494 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.605 -8.342 -4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 437 3.345 -9.497 -7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.875 -11.163 -7.598 1.00 0.00 H new ATOM 333 N GLY A 438 1.799 -5.847 -2.575 1.00 0.00 N ATOM 334 CA GLY A 438 2.370 -5.752 -1.244 1.00 0.00 C ATOM 335 C GLY A 438 1.314 -5.779 -0.157 1.00 0.00 C ATOM 336 O GLY A 438 0.117 -5.784 -0.443 1.00 0.00 O ATOM 0 H GLY A 438 0.794 -5.680 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.066 -6.577 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.946 -4.830 -1.164 1.00 0.00 H new ATOM 340 N LYS A 439 1.758 -5.800 1.096 1.00 0.00 N ATOM 341 CA LYS A 439 0.844 -5.827 2.231 1.00 0.00 C ATOM 342 C LYS A 439 0.727 -4.447 2.869 1.00 0.00 C ATOM 343 O LYS A 439 1.662 -3.648 2.817 1.00 0.00 O ATOM 344 CB LYS A 439 1.321 -6.843 3.272 1.00 0.00 C ATOM 345 CG LYS A 439 0.750 -8.236 3.069 1.00 0.00 C ATOM 346 CD LYS A 439 1.541 -9.280 3.838 1.00 0.00 C ATOM 347 CE LYS A 439 1.018 -9.444 5.256 1.00 0.00 C ATOM 348 NZ LYS A 439 1.924 -10.284 6.088 1.00 0.00 N ATOM 0 H LYS A 439 2.746 -5.799 1.350 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.139 -6.123 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.409 -6.898 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.047 -6.488 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.290 -8.255 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.757 -8.482 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.487 -10.236 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 439 2.592 -8.992 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 439 0.907 -8.463 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 439 0.027 -9.897 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 1.532 -10.372 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 2.011 -11.229 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 2.863 -9.839 6.137 1.00 0.00 H new ATOM 362 N ILE A 440 -0.426 -4.174 3.471 1.00 0.00 N ATOM 363 CA ILE A 440 -0.663 -2.891 4.121 1.00 0.00 C ATOM 364 C ILE A 440 -0.169 -2.906 5.564 1.00 0.00 C ATOM 365 O ILE A 440 -0.462 -3.832 6.322 1.00 0.00 O ATOM 366 CB ILE A 440 -2.157 -2.519 4.105 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.711 -2.604 2.682 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.362 -1.124 4.677 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.222 -2.573 2.618 1.00 0.00 C ATOM 0 H ILE A 440 -1.210 -4.824 3.522 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.105 -2.144 3.557 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.700 -3.229 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.314 -1.775 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.355 -3.523 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.423 -0.876 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.000 -1.095 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.810 -0.400 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.544 -2.637 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.627 -3.417 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.586 -1.642 3.054 1.00 0.00 H new ATOM 381 N LEU A 441 0.580 -1.875 5.938 1.00 0.00 N ATOM 382 CA LEU A 441 1.113 -1.768 7.292 1.00 0.00 C ATOM 383 C LEU A 441 0.164 -0.982 8.190 1.00 0.00 C ATOM 384 O LEU A 441 -0.199 -1.436 9.276 1.00 0.00 O ATOM 385 CB LEU A 441 2.486 -1.095 7.269 1.00 0.00 C ATOM 386 CG LEU A 441 3.633 -1.929 6.698 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.920 -1.120 6.670 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.820 -3.204 7.508 1.00 0.00 C ATOM 0 H LEU A 441 0.832 -1.101 5.323 1.00 0.00 H new ATOM 0 HA LEU A 441 1.216 -2.775 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.408 -0.176 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.745 -0.808 8.288 1.00 0.00 H new ATOM 0 HG LEU A 441 3.380 -2.206 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.725 -1.731 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.781 -0.237 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.178 -0.812 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.641 -3.785 7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 441 4.050 -2.948 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.904 -3.793 7.475 1.00 0.00 H new ATOM 400 N SER A 442 -0.237 0.199 7.730 1.00 0.00 N ATOM 401 CA SER A 442 -1.143 1.050 8.493 1.00 0.00 C ATOM 402 C SER A 442 -1.980 1.923 7.563 1.00 0.00 C ATOM 403 O SER A 442 -1.606 2.164 6.415 1.00 0.00 O ATOM 404 CB SER A 442 -0.354 1.929 9.464 1.00 0.00 C ATOM 405 OG SER A 442 -0.085 1.240 10.673 1.00 0.00 O ATOM 0 H SER A 442 0.051 0.588 6.832 1.00 0.00 H new ATOM 0 HA SER A 442 -1.815 0.407 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.584 2.237 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 442 -0.918 2.837 9.677 1.00 0.00 H new ATOM 0 HG SER A 442 -0.065 0.275 10.502 1.00 0.00 H new ATOM 411 N VAL A 443 -3.115 2.396 8.068 1.00 0.00 N ATOM 412 CA VAL A 443 -4.006 3.244 7.284 1.00 0.00 C ATOM 413 C VAL A 443 -4.151 4.622 7.919 1.00 0.00 C ATOM 414 O VAL A 443 -4.537 4.744 9.082 1.00 0.00 O ATOM 415 CB VAL A 443 -5.401 2.608 7.138 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.408 3.637 6.649 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.346 1.414 6.197 1.00 0.00 C ATOM 0 H VAL A 443 -3.439 2.207 9.016 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.557 3.348 6.296 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.725 2.255 8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.388 3.170 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.467 4.457 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -6.092 4.023 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.340 0.977 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.001 1.740 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.657 0.669 6.595 1.00 0.00 H new ATOM 427 N ASP A 444 -3.841 5.658 7.147 1.00 0.00 N ATOM 428 CA ASP A 444 -3.939 7.030 7.633 1.00 0.00 C ATOM 429 C ASP A 444 -4.850 7.861 6.735 1.00 0.00 C ATOM 430 O ASP A 444 -4.430 8.346 5.686 1.00 0.00 O ATOM 431 CB ASP A 444 -2.551 7.668 7.703 1.00 0.00 C ATOM 432 CG ASP A 444 -1.886 7.462 9.050 1.00 0.00 C ATOM 433 OD1 ASP A 444 -2.609 7.215 10.038 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.642 7.547 9.116 1.00 0.00 O ATOM 0 H ASP A 444 -3.520 5.574 6.183 1.00 0.00 H new ATOM 0 HA ASP A 444 -4.370 7.005 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.920 7.245 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.635 8.736 7.502 1.00 0.00 H new ATOM 439 N GLY A 445 -6.102 8.019 7.155 1.00 0.00 N ATOM 440 CA GLY A 445 -7.053 8.791 6.377 1.00 0.00 C ATOM 441 C GLY A 445 -6.901 8.565 4.886 1.00 0.00 C ATOM 442 O GLY A 445 -7.345 7.547 4.357 1.00 0.00 O ATOM 0 H GLY A 445 -6.474 7.626 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -8.066 8.526 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.922 9.851 6.596 1.00 0.00 H new ATOM 446 N ASN A 446 -6.272 9.518 4.206 1.00 0.00 N ATOM 447 CA ASN A 446 -6.065 9.420 2.766 1.00 0.00 C ATOM 448 C ASN A 446 -4.735 8.740 2.453 1.00 0.00 C ATOM 449 O ASN A 446 -4.611 8.018 1.464 1.00 0.00 O ATOM 450 CB ASN A 446 -6.102 10.810 2.127 1.00 0.00 C ATOM 451 CG ASN A 446 -6.271 10.750 0.621 1.00 0.00 C ATOM 452 OD1 ASN A 446 -7.390 10.681 0.113 1.00 0.00 O ATOM 453 ND2 ASN A 446 -5.157 10.776 -0.100 1.00 0.00 N ATOM 0 H ASN A 446 -5.897 10.367 4.629 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.870 8.815 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -6.922 11.384 2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.181 11.341 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -5.207 10.738 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -4.250 10.834 0.364 1.00 0.00 H new ATOM 460 N LYS A 447 -3.742 8.976 3.304 1.00 0.00 N ATOM 461 CA LYS A 447 -2.421 8.387 3.121 1.00 0.00 C ATOM 462 C LYS A 447 -2.357 6.992 3.737 1.00 0.00 C ATOM 463 O LYS A 447 -2.668 6.809 4.914 1.00 0.00 O ATOM 464 CB LYS A 447 -1.349 9.281 3.748 1.00 0.00 C ATOM 465 CG LYS A 447 -1.511 9.466 5.247 1.00 0.00 C ATOM 466 CD LYS A 447 -0.799 10.716 5.736 1.00 0.00 C ATOM 467 CE LYS A 447 0.638 10.419 6.136 1.00 0.00 C ATOM 468 NZ LYS A 447 0.713 9.681 7.427 1.00 0.00 N ATOM 0 H LYS A 447 -3.827 9.572 4.128 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.234 8.302 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.367 8.852 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -1.375 10.258 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -2.571 9.530 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.115 8.594 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.810 11.473 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -1.336 11.132 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.119 9.832 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.192 11.354 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 1.498 8.999 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.874 10.354 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.180 9.173 7.589 1.00 0.00 H new ATOM 482 N ILE A 448 -1.952 6.014 2.934 1.00 0.00 N ATOM 483 CA ILE A 448 -1.846 4.638 3.402 1.00 0.00 C ATOM 484 C ILE A 448 -0.403 4.148 3.345 1.00 0.00 C ATOM 485 O ILE A 448 0.150 3.931 2.266 1.00 0.00 O ATOM 486 CB ILE A 448 -2.730 3.691 2.569 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.082 4.345 2.277 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.922 2.369 3.298 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.848 4.733 3.523 1.00 0.00 C ATOM 0 H ILE A 448 -1.692 6.149 1.957 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.190 4.629 4.436 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.231 3.492 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.922 5.234 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.689 3.658 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.549 1.710 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.952 1.899 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.403 2.550 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.796 5.191 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.039 3.844 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.261 5.444 4.104 1.00 0.00 H new ATOM 501 N THR A 449 0.203 3.973 4.516 1.00 0.00 N ATOM 502 CA THR A 449 1.582 3.508 4.601 1.00 0.00 C ATOM 503 C THR A 449 1.655 1.988 4.523 1.00 0.00 C ATOM 504 O THR A 449 1.149 1.287 5.401 1.00 0.00 O ATOM 505 CB THR A 449 2.254 3.978 5.905 1.00 0.00 C ATOM 506 OG1 THR A 449 1.968 5.362 6.133 1.00 0.00 O ATOM 507 CG2 THR A 449 3.759 3.768 5.844 1.00 0.00 C ATOM 0 H THR A 449 -0.240 4.146 5.418 1.00 0.00 H new ATOM 0 HA THR A 449 2.114 3.938 3.752 1.00 0.00 H new ATOM 0 HB THR A 449 1.854 3.386 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.398 5.652 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.212 4.107 6.776 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.973 2.709 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.172 4.337 5.011 1.00 0.00 H new ATOM 515 N ILE A 450 2.287 1.483 3.469 1.00 0.00 N ATOM 516 CA ILE A 450 2.428 0.045 3.279 1.00 0.00 C ATOM 517 C ILE A 450 3.866 -0.326 2.936 1.00 0.00 C ATOM 518 O ILE A 450 4.732 0.541 2.824 1.00 0.00 O ATOM 519 CB ILE A 450 1.496 -0.469 2.166 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.964 0.044 0.802 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.062 -0.041 2.435 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.465 -0.786 -0.360 1.00 0.00 C ATOM 0 H ILE A 450 2.710 2.049 2.733 1.00 0.00 H new ATOM 0 HA ILE A 450 2.150 -0.427 4.221 1.00 0.00 H new ATOM 0 HB ILE A 450 1.533 -1.558 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.627 1.073 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.054 0.061 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.584 -0.412 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.267 -0.451 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.007 1.047 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.836 -0.364 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.824 -1.810 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.375 -0.783 -0.368 1.00 0.00 H new ATOM 534 N MET A 451 4.113 -1.621 2.767 1.00 0.00 N ATOM 535 CA MET A 451 5.447 -2.107 2.432 1.00 0.00 C ATOM 536 C MET A 451 5.382 -3.153 1.323 1.00 0.00 C ATOM 537 O MET A 451 4.805 -4.229 1.485 1.00 0.00 O ATOM 538 CB MET A 451 6.122 -2.701 3.670 1.00 0.00 C ATOM 539 CG MET A 451 7.640 -2.662 3.611 1.00 0.00 C ATOM 540 SD MET A 451 8.332 -4.015 2.640 1.00 0.00 S ATOM 541 CE MET A 451 9.634 -3.163 1.753 1.00 0.00 C ATOM 0 H MET A 451 3.408 -2.352 2.856 1.00 0.00 H new ATOM 0 HA MET A 451 6.036 -1.262 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.787 -2.157 4.553 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.798 -3.735 3.790 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.959 -1.712 3.182 1.00 0.00 H new ATOM 0 HG3 MET A 451 8.040 -2.705 4.624 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.426 -3.869 1.504 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.229 -2.733 0.837 1.00 0.00 H new ATOM 0 HE3 MET A 451 10.040 -2.368 2.378 1.00 0.00 H new ATOM 551 N PRO A 452 5.986 -2.832 0.169 1.00 0.00 N ATOM 552 CA PRO A 452 6.010 -3.731 -0.988 1.00 0.00 C ATOM 553 C PRO A 452 6.891 -4.954 -0.754 1.00 0.00 C ATOM 554 O PRO A 452 7.834 -4.911 0.036 1.00 0.00 O ATOM 555 CB PRO A 452 6.593 -2.858 -2.103 1.00 0.00 C ATOM 556 CG PRO A 452 7.401 -1.828 -1.393 1.00 0.00 C ATOM 557 CD PRO A 452 6.692 -1.567 -0.094 1.00 0.00 C ATOM 0 HA PRO A 452 5.022 -4.132 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.209 -3.445 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.805 -2.400 -2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.417 -2.182 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.478 -0.916 -1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.393 -1.324 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.999 -0.729 -0.175 1.00 0.00 H new ATOM 565 N LYS A 453 6.577 -6.044 -1.446 1.00 0.00 N ATOM 566 CA LYS A 453 7.340 -7.279 -1.316 1.00 0.00 C ATOM 567 C LYS A 453 8.442 -7.352 -2.368 1.00 0.00 C ATOM 568 O LYS A 453 8.263 -7.953 -3.428 1.00 0.00 O ATOM 569 CB LYS A 453 6.415 -8.491 -1.446 1.00 0.00 C ATOM 570 CG LYS A 453 5.439 -8.638 -0.291 1.00 0.00 C ATOM 571 CD LYS A 453 6.133 -9.140 0.964 1.00 0.00 C ATOM 572 CE LYS A 453 5.130 -9.490 2.053 1.00 0.00 C ATOM 573 NZ LYS A 453 4.245 -10.618 1.651 1.00 0.00 N ATOM 0 H LYS A 453 5.799 -6.097 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 453 7.803 -7.287 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.854 -8.411 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.021 -9.394 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 453 4.967 -7.677 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.645 -9.330 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.732 -10.018 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.819 -8.377 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.663 -9.755 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.522 -8.615 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 3.809 -11.036 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 3.500 -10.266 1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 4.807 -11.341 1.158 1.00 0.00 H new ATOM 587 N HIS A 454 9.582 -6.737 -2.069 1.00 0.00 N ATOM 588 CA HIS A 454 10.713 -6.735 -2.990 1.00 0.00 C ATOM 589 C HIS A 454 12.012 -6.419 -2.254 1.00 0.00 C ATOM 590 O HIS A 454 12.090 -5.445 -1.505 1.00 0.00 O ATOM 591 CB HIS A 454 10.486 -5.716 -4.108 1.00 0.00 C ATOM 592 CG HIS A 454 11.379 -5.919 -5.293 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.594 -6.567 -5.218 1.00 0.00 N ATOM 594 CD2 HIS A 454 11.227 -5.557 -6.588 1.00 0.00 C ATOM 595 CE1 HIS A 454 13.151 -6.593 -6.415 1.00 0.00 C ATOM 596 NE2 HIS A 454 12.342 -5.986 -7.265 1.00 0.00 N ATOM 0 H HIS A 454 9.747 -6.234 -1.197 1.00 0.00 H new ATOM 0 HA HIS A 454 10.796 -7.730 -3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.447 -5.771 -4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.644 -4.713 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 454 10.385 -5.029 -7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 454 14.106 -7.035 -6.658 1.00 0.00 H new ATOM 0 HE2 HIS A 454 12.517 -5.857 -8.262 1.00 0.00 H new ATOM 604 N GLU A 455 13.027 -7.248 -2.472 1.00 0.00 N ATOM 605 CA GLU A 455 14.321 -7.057 -1.827 1.00 0.00 C ATOM 606 C GLU A 455 14.909 -5.693 -2.180 1.00 0.00 C ATOM 607 O GLU A 455 15.360 -4.955 -1.305 1.00 0.00 O ATOM 608 CB GLU A 455 15.291 -8.165 -2.242 1.00 0.00 C ATOM 609 CG GLU A 455 14.809 -9.561 -1.887 1.00 0.00 C ATOM 610 CD GLU A 455 14.771 -9.802 -0.390 1.00 0.00 C ATOM 611 OE1 GLU A 455 15.830 -10.129 0.184 1.00 0.00 O ATOM 612 OE2 GLU A 455 13.682 -9.664 0.206 1.00 0.00 O ATOM 0 H GLU A 455 12.979 -8.058 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 455 14.170 -7.101 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 455 15.454 -8.109 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 455 16.255 -7.990 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 455 13.812 -9.713 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 455 15.464 -10.297 -2.353 1.00 0.00 H new ATOM 619 N ASP A 456 14.899 -5.367 -3.468 1.00 0.00 N ATOM 620 CA ASP A 456 15.430 -4.093 -3.938 1.00 0.00 C ATOM 621 C ASP A 456 14.910 -2.940 -3.085 1.00 0.00 C ATOM 622 O ASP A 456 15.676 -2.074 -2.659 1.00 0.00 O ATOM 623 CB ASP A 456 15.055 -3.869 -5.404 1.00 0.00 C ATOM 624 CG ASP A 456 15.591 -2.558 -5.945 1.00 0.00 C ATOM 625 OD1 ASP A 456 14.920 -1.521 -5.763 1.00 0.00 O ATOM 626 OD2 ASP A 456 16.683 -2.570 -6.551 1.00 0.00 O ATOM 0 H ASP A 456 14.529 -5.967 -4.205 1.00 0.00 H new ATOM 0 HA ASP A 456 16.516 -4.126 -3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.442 -4.692 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.970 -3.884 -5.505 1.00 0.00 H new ATOM 631 N LEU A 457 13.605 -2.934 -2.840 1.00 0.00 N ATOM 632 CA LEU A 457 12.981 -1.887 -2.038 1.00 0.00 C ATOM 633 C LEU A 457 13.171 -2.155 -0.548 1.00 0.00 C ATOM 634 O LEU A 457 12.276 -2.677 0.118 1.00 0.00 O ATOM 635 CB LEU A 457 11.490 -1.787 -2.364 1.00 0.00 C ATOM 636 CG LEU A 457 11.132 -1.026 -3.641 1.00 0.00 C ATOM 637 CD1 LEU A 457 11.127 -1.963 -4.838 1.00 0.00 C ATOM 638 CD2 LEU A 457 9.781 -0.341 -3.492 1.00 0.00 C ATOM 0 H LEU A 457 12.958 -3.643 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 457 13.464 -0.941 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.087 -2.797 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 457 10.987 -1.306 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 457 11.889 -0.260 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 457 10.870 -1.403 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 457 12.115 -2.407 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 457 10.392 -2.752 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 457 9.542 0.196 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 457 9.013 -1.090 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 457 9.819 0.362 -2.660 1.00 0.00 H new ATOM 650 N LYS A 458 14.340 -1.794 -0.031 1.00 0.00 N ATOM 651 CA LYS A 458 14.647 -1.992 1.380 1.00 0.00 C ATOM 652 C LYS A 458 14.103 -0.843 2.222 1.00 0.00 C ATOM 653 O LYS A 458 14.787 -0.334 3.111 1.00 0.00 O ATOM 654 CB LYS A 458 16.159 -2.116 1.582 1.00 0.00 C ATOM 655 CG LYS A 458 16.545 -2.877 2.838 1.00 0.00 C ATOM 656 CD LYS A 458 18.010 -2.672 3.186 1.00 0.00 C ATOM 657 CE LYS A 458 18.414 -3.494 4.400 1.00 0.00 C ATOM 658 NZ LYS A 458 19.643 -2.958 5.049 1.00 0.00 N ATOM 0 H LYS A 458 15.091 -1.362 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 458 14.167 -2.915 1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.593 -2.617 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 458 16.594 -1.118 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.923 -2.547 3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.349 -3.940 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 458 18.630 -2.950 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 458 18.194 -1.616 3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.597 -3.502 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 458 18.584 -4.528 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.885 -3.546 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 20.430 -2.973 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 19.473 -1.980 5.360 1.00 0.00 H new ATOM 672 N ASP A 459 12.870 -0.439 1.937 1.00 0.00 N ATOM 673 CA ASP A 459 12.234 0.649 2.670 1.00 0.00 C ATOM 674 C ASP A 459 10.735 0.690 2.389 1.00 0.00 C ATOM 675 O ASP A 459 10.299 0.464 1.261 1.00 0.00 O ATOM 676 CB ASP A 459 12.872 1.988 2.295 1.00 0.00 C ATOM 677 CG ASP A 459 12.981 2.177 0.795 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.015 2.687 0.190 1.00 0.00 O ATOM 679 OD2 ASP A 459 14.031 1.814 0.225 1.00 0.00 O ATOM 0 H ASP A 459 12.291 -0.849 1.204 1.00 0.00 H new ATOM 0 HA ASP A 459 12.382 0.471 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.281 2.800 2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.865 2.051 2.739 1.00 0.00 H new ATOM 684 N MET A 460 9.952 0.979 3.423 1.00 0.00 N ATOM 685 CA MET A 460 8.501 1.050 3.287 1.00 0.00 C ATOM 686 C MET A 460 8.084 2.331 2.572 1.00 0.00 C ATOM 687 O MET A 460 8.808 3.328 2.590 1.00 0.00 O ATOM 688 CB MET A 460 7.835 0.979 4.662 1.00 0.00 C ATOM 689 CG MET A 460 7.857 2.298 5.417 1.00 0.00 C ATOM 690 SD MET A 460 7.219 2.147 7.097 1.00 0.00 S ATOM 691 CE MET A 460 8.444 3.084 8.009 1.00 0.00 C ATOM 0 H MET A 460 10.297 1.168 4.364 1.00 0.00 H new ATOM 0 HA MET A 460 8.175 0.199 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.801 0.657 4.539 1.00 0.00 H new ATOM 0 HB3 MET A 460 8.337 0.219 5.261 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.879 2.675 5.453 1.00 0.00 H new ATOM 0 HG3 MET A 460 7.265 3.034 4.872 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.188 3.084 9.068 1.00 0.00 H new ATOM 0 HE2 MET A 460 9.425 2.629 7.873 1.00 0.00 H new ATOM 0 HE3 MET A 460 8.465 4.110 7.641 1.00 0.00 H new ATOM 701 N LEU A 461 6.914 2.298 1.944 1.00 0.00 N ATOM 702 CA LEU A 461 6.401 3.457 1.222 1.00 0.00 C ATOM 703 C LEU A 461 4.974 3.780 1.655 1.00 0.00 C ATOM 704 O LEU A 461 4.357 3.023 2.403 1.00 0.00 O ATOM 705 CB LEU A 461 6.443 3.204 -0.286 1.00 0.00 C ATOM 706 CG LEU A 461 7.802 2.806 -0.862 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.100 1.344 -0.566 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.844 3.068 -2.360 1.00 0.00 C ATOM 0 H LEU A 461 6.303 1.482 1.920 1.00 0.00 H new ATOM 0 HA LEU A 461 7.036 4.311 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.726 2.418 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.105 4.107 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 461 8.570 3.416 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.071 1.079 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.114 1.187 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.329 0.717 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.819 2.779 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.066 2.485 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.677 4.128 -2.549 1.00 0.00 H new ATOM 720 N GLU A 462 4.458 4.909 1.179 1.00 0.00 N ATOM 721 CA GLU A 462 3.103 5.330 1.516 1.00 0.00 C ATOM 722 C GLU A 462 2.377 5.864 0.285 1.00 0.00 C ATOM 723 O GLU A 462 2.841 6.799 -0.366 1.00 0.00 O ATOM 724 CB GLU A 462 3.136 6.403 2.607 1.00 0.00 C ATOM 725 CG GLU A 462 1.925 7.321 2.595 1.00 0.00 C ATOM 726 CD GLU A 462 2.054 8.470 3.576 1.00 0.00 C ATOM 727 OE1 GLU A 462 2.545 8.238 4.701 1.00 0.00 O ATOM 728 OE2 GLU A 462 1.664 9.601 3.219 1.00 0.00 O ATOM 0 H GLU A 462 4.957 5.548 0.560 1.00 0.00 H new ATOM 0 HA GLU A 462 2.561 4.460 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.204 5.917 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 462 4.038 7.003 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 462 1.786 7.720 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 462 1.033 6.742 2.834 1.00 0.00 H new ATOM 735 N PHE A 463 1.234 5.261 -0.028 1.00 0.00 N ATOM 736 CA PHE A 463 0.443 5.673 -1.181 1.00 0.00 C ATOM 737 C PHE A 463 -1.001 5.954 -0.778 1.00 0.00 C ATOM 738 O PHE A 463 -1.564 5.304 0.102 1.00 0.00 O ATOM 739 CB PHE A 463 0.481 4.593 -2.265 1.00 0.00 C ATOM 740 CG PHE A 463 1.808 3.898 -2.372 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.960 4.614 -2.651 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.903 2.527 -2.194 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.183 3.978 -2.750 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.123 1.885 -2.291 1.00 0.00 C ATOM 745 CZ PHE A 463 4.264 2.611 -2.571 1.00 0.00 C ATOM 0 H PHE A 463 0.836 4.485 0.501 1.00 0.00 H new ATOM 0 HA PHE A 463 0.876 6.591 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.292 3.853 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.238 5.046 -3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.902 5.683 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.014 1.954 -1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.074 4.549 -2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.184 0.816 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.218 2.111 -2.650 1.00 0.00 H new ATOM 755 N PRO A 464 -1.616 6.949 -1.436 1.00 0.00 N ATOM 756 CA PRO A 464 -3.002 7.340 -1.164 1.00 0.00 C ATOM 757 C PRO A 464 -4.003 6.285 -1.623 1.00 0.00 C ATOM 758 O PRO A 464 -3.767 5.576 -2.601 1.00 0.00 O ATOM 759 CB PRO A 464 -3.173 8.628 -1.974 1.00 0.00 C ATOM 760 CG PRO A 464 -2.173 8.519 -3.073 1.00 0.00 C ATOM 761 CD PRO A 464 -1.005 7.767 -2.497 1.00 0.00 C ATOM 0 HA PRO A 464 -3.189 7.463 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.186 8.717 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.991 9.510 -1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.592 7.992 -3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.868 9.505 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.515 7.149 -3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.249 8.443 -2.098 1.00 0.00 H new ATOM 769 N ALA A 465 -5.121 6.187 -0.911 1.00 0.00 N ATOM 770 CA ALA A 465 -6.159 5.221 -1.248 1.00 0.00 C ATOM 771 C ALA A 465 -6.402 5.179 -2.753 1.00 0.00 C ATOM 772 O ALA A 465 -6.665 4.118 -3.318 1.00 0.00 O ATOM 773 CB ALA A 465 -7.448 5.553 -0.512 1.00 0.00 C ATOM 0 H ALA A 465 -5.331 6.765 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.818 4.234 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.214 4.823 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.271 5.524 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.784 6.550 -0.798 1.00 0.00 H new ATOM 779 N GLN A 466 -6.314 6.339 -3.395 1.00 0.00 N ATOM 780 CA GLN A 466 -6.527 6.434 -4.834 1.00 0.00 C ATOM 781 C GLN A 466 -5.460 5.652 -5.594 1.00 0.00 C ATOM 782 O GLN A 466 -5.762 4.948 -6.557 1.00 0.00 O ATOM 783 CB GLN A 466 -6.517 7.897 -5.278 1.00 0.00 C ATOM 784 CG GLN A 466 -5.502 8.751 -4.535 1.00 0.00 C ATOM 785 CD GLN A 466 -5.241 10.077 -5.221 1.00 0.00 C ATOM 786 OE1 GLN A 466 -5.324 10.183 -6.445 1.00 0.00 O ATOM 787 NE2 GLN A 466 -4.923 11.099 -4.434 1.00 0.00 N ATOM 0 H GLN A 466 -6.097 7.226 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.501 6.001 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -6.305 7.942 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.511 8.319 -5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.860 8.935 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.565 8.201 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -4.865 10.967 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -4.736 12.016 -4.839 1.00 0.00 H new ATOM 796 N GLU A 467 -4.212 5.782 -5.155 1.00 0.00 N ATOM 797 CA GLU A 467 -3.101 5.089 -5.796 1.00 0.00 C ATOM 798 C GLU A 467 -2.976 3.661 -5.272 1.00 0.00 C ATOM 799 O GLU A 467 -1.940 3.015 -5.436 1.00 0.00 O ATOM 800 CB GLU A 467 -1.793 5.847 -5.559 1.00 0.00 C ATOM 801 CG GLU A 467 -1.603 7.036 -6.485 1.00 0.00 C ATOM 802 CD GLU A 467 -2.889 7.806 -6.718 1.00 0.00 C ATOM 803 OE1 GLU A 467 -3.794 7.262 -7.384 1.00 0.00 O ATOM 804 OE2 GLU A 467 -2.989 8.952 -6.233 1.00 0.00 O ATOM 0 H GLU A 467 -3.945 6.361 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.300 5.049 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.766 6.194 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -0.956 5.160 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.855 7.706 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.214 6.688 -7.442 1.00 0.00 H new ATOM 811 N LEU A 468 -4.038 3.174 -4.640 1.00 0.00 N ATOM 812 CA LEU A 468 -4.049 1.823 -4.090 1.00 0.00 C ATOM 813 C LEU A 468 -5.402 1.155 -4.313 1.00 0.00 C ATOM 814 O LEU A 468 -6.435 1.662 -3.876 1.00 0.00 O ATOM 815 CB LEU A 468 -3.724 1.856 -2.596 1.00 0.00 C ATOM 816 CG LEU A 468 -2.239 1.908 -2.233 1.00 0.00 C ATOM 817 CD1 LEU A 468 -2.060 2.289 -0.772 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.572 0.571 -2.523 1.00 0.00 C ATOM 0 H LEU A 468 -4.903 3.695 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.287 1.241 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.215 2.724 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -4.161 0.973 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.761 2.671 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.997 2.321 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.502 3.270 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.553 1.550 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.516 0.626 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.053 -0.211 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.669 0.338 -3.583 1.00 0.00 H new ATOM 830 N ARG A 469 -5.388 0.014 -4.995 1.00 0.00 N ATOM 831 CA ARG A 469 -6.614 -0.724 -5.275 1.00 0.00 C ATOM 832 C ARG A 469 -6.520 -2.153 -4.748 1.00 0.00 C ATOM 833 O ARG A 469 -5.440 -2.627 -4.395 1.00 0.00 O ATOM 834 CB ARG A 469 -6.892 -0.741 -6.779 1.00 0.00 C ATOM 835 CG ARG A 469 -5.835 -1.477 -7.586 1.00 0.00 C ATOM 836 CD ARG A 469 -6.118 -1.398 -9.078 1.00 0.00 C ATOM 837 NE ARG A 469 -7.021 -2.457 -9.520 1.00 0.00 N ATOM 838 CZ ARG A 469 -8.345 -2.366 -9.462 1.00 0.00 C ATOM 839 NH1 ARG A 469 -8.917 -1.271 -8.983 1.00 0.00 N ATOM 840 NH2 ARG A 469 -9.099 -3.373 -9.884 1.00 0.00 N ATOM 0 H ARG A 469 -4.541 -0.419 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.436 -0.220 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -7.861 -1.207 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -6.962 0.286 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -4.854 -1.050 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -5.801 -2.521 -7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -6.555 -0.427 -9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -5.180 -1.468 -9.629 1.00 0.00 H new ATOM 0 HE ARG A 469 -6.613 -3.314 -9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -8.340 -0.495 -8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -9.934 -1.204 -8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -8.662 -4.218 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -10.116 -3.303 -9.839 1.00 0.00 H new