USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 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 Set 1.1: A 425 ASN : amide:sc= 0.0546 X(o=0.11,f=-0.16) USER MOD Set 1.2: A 439 LYS NZ :NH3+ -178:sc= 0.0559 (180deg=0) USER MOD Single : A 421 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.3) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -8.02! C(o=-8!,f=-6.7!) USER MOD Single : A 437 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.5!) USER MOD Single : A 442 SER OG : rot 180:sc= -0.0464 USER MOD Single : A 446 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl -172:sc= -2.67 (180deg=-3.06) USER MOD Single : A 453 LYS NZ :NH3+ 165:sc=-0.00867 (180deg=-0.165) USER MOD Single : A 454 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-7.1!) USER MOD Single : A 458 LYS NZ :NH3+ -165:sc= -0.012 (180deg=-0.173) USER MOD Single : A 460 MET CE :methyl 169:sc= 0 (180deg=-0.175) USER MOD Single : A 466 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.204 1.493 5.285 1.00 0.00 N ATOM 67 CA PHE A 420 -9.387 0.326 4.975 1.00 0.00 C ATOM 68 C PHE A 420 -8.503 -0.049 6.161 1.00 0.00 C ATOM 69 O PHE A 420 -7.987 0.820 6.862 1.00 0.00 O ATOM 70 CB PHE A 420 -8.520 0.595 3.744 1.00 0.00 C ATOM 71 CG PHE A 420 -9.303 1.063 2.550 1.00 0.00 C ATOM 72 CD1 PHE A 420 -9.831 2.343 2.510 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.510 0.222 1.468 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.553 2.775 1.413 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.230 0.649 0.369 1.00 0.00 C ATOM 76 CZ PHE A 420 -10.751 1.928 0.341 1.00 0.00 C ATOM 0 HA PHE A 420 -10.056 -0.508 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -7.771 1.346 3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -7.983 -0.316 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -9.677 3.011 3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.104 -0.779 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -10.962 3.774 1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.385 -0.016 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.312 2.265 -0.518 1.00 0.00 H new ATOM 86 N GLN A 421 -8.335 -1.350 6.379 1.00 0.00 N ATOM 87 CA GLN A 421 -7.515 -1.840 7.480 1.00 0.00 C ATOM 88 C GLN A 421 -6.221 -2.459 6.962 1.00 0.00 C ATOM 89 O GLN A 421 -6.189 -3.105 5.915 1.00 0.00 O ATOM 90 CB GLN A 421 -8.292 -2.868 8.304 1.00 0.00 C ATOM 91 CG GLN A 421 -8.846 -4.017 7.477 1.00 0.00 C ATOM 92 CD GLN A 421 -9.183 -5.232 8.319 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.049 -5.211 9.543 1.00 0.00 O ATOM 94 NE2 GLN A 421 -9.625 -6.301 7.666 1.00 0.00 N ATOM 0 H GLN A 421 -8.756 -2.083 5.808 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.261 -0.992 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -7.638 -3.270 9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -9.116 -2.367 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.741 -3.683 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -8.117 -4.297 6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -9.721 -6.275 6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -9.868 -7.148 8.180 1.00 0.00 H new ATOM 103 N PRO A 422 -5.127 -2.258 7.712 1.00 0.00 N ATOM 104 CA PRO A 422 -3.810 -2.788 7.347 1.00 0.00 C ATOM 105 C PRO A 422 -3.740 -4.306 7.478 1.00 0.00 C ATOM 106 O PRO A 422 -4.518 -4.912 8.213 1.00 0.00 O ATOM 107 CB PRO A 422 -2.868 -2.121 8.353 1.00 0.00 C ATOM 108 CG PRO A 422 -3.729 -1.808 9.528 1.00 0.00 C ATOM 109 CD PRO A 422 -5.091 -1.497 8.972 1.00 0.00 C ATOM 0 HA PRO A 422 -3.561 -2.580 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.048 -2.785 8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.421 -1.218 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.772 -2.652 10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.333 -0.960 10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.884 -1.809 9.652 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.220 -0.428 8.800 1.00 0.00 H new ATOM 117 N GLY A 423 -2.801 -4.915 6.760 1.00 0.00 N ATOM 118 CA GLY A 423 -2.647 -6.357 6.810 1.00 0.00 C ATOM 119 C GLY A 423 -3.089 -7.032 5.527 1.00 0.00 C ATOM 120 O GLY A 423 -2.493 -8.022 5.101 1.00 0.00 O ATOM 0 H GLY A 423 -2.144 -4.435 6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.603 -6.601 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.227 -6.753 7.644 1.00 0.00 H new ATOM 124 N ASP A 424 -4.138 -6.499 4.910 1.00 0.00 N ATOM 125 CA ASP A 424 -4.660 -7.056 3.668 1.00 0.00 C ATOM 126 C ASP A 424 -3.629 -6.951 2.549 1.00 0.00 C ATOM 127 O ASP A 424 -2.545 -6.401 2.740 1.00 0.00 O ATOM 128 CB ASP A 424 -5.947 -6.336 3.262 1.00 0.00 C ATOM 129 CG ASP A 424 -7.121 -6.705 4.148 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.010 -6.536 5.380 1.00 0.00 O ATOM 131 OD2 ASP A 424 -8.150 -7.163 3.609 1.00 0.00 O ATOM 0 H ASP A 424 -4.644 -5.681 5.250 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.880 -8.110 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.787 -5.259 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.186 -6.581 2.227 1.00 0.00 H new ATOM 136 N ASN A 425 -3.974 -7.484 1.382 1.00 0.00 N ATOM 137 CA ASN A 425 -3.077 -7.452 0.232 1.00 0.00 C ATOM 138 C ASN A 425 -3.641 -6.563 -0.873 1.00 0.00 C ATOM 139 O ASN A 425 -4.705 -6.842 -1.426 1.00 0.00 O ATOM 140 CB ASN A 425 -2.849 -8.867 -0.303 1.00 0.00 C ATOM 141 CG ASN A 425 -2.699 -9.888 0.808 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.970 -9.668 1.775 1.00 0.00 O ATOM 143 ND2 ASN A 425 -3.392 -11.014 0.674 1.00 0.00 N ATOM 0 H ASN A 425 -4.868 -7.943 1.207 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.124 -7.036 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.685 -9.150 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.954 -8.877 -0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -3.332 -11.738 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.984 -11.154 -0.145 1.00 0.00 H new ATOM 150 N VAL A 426 -2.919 -5.493 -1.189 1.00 0.00 N ATOM 151 CA VAL A 426 -3.346 -4.564 -2.229 1.00 0.00 C ATOM 152 C VAL A 426 -2.308 -4.470 -3.342 1.00 0.00 C ATOM 153 O VAL A 426 -1.239 -5.074 -3.259 1.00 0.00 O ATOM 154 CB VAL A 426 -3.596 -3.156 -1.656 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.758 -3.177 -0.675 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.336 -2.620 -0.991 1.00 0.00 C ATOM 0 H VAL A 426 -2.036 -5.248 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.279 -4.953 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.858 -2.490 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.920 -2.174 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.659 -3.516 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.529 -3.857 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.531 -1.625 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.042 -3.285 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.532 -2.566 -1.725 1.00 0.00 H new ATOM 166 N GLU A 427 -2.632 -3.709 -4.383 1.00 0.00 N ATOM 167 CA GLU A 427 -1.727 -3.538 -5.513 1.00 0.00 C ATOM 168 C GLU A 427 -1.986 -2.211 -6.221 1.00 0.00 C ATOM 169 O GLU A 427 -3.123 -1.893 -6.572 1.00 0.00 O ATOM 170 CB GLU A 427 -1.885 -4.695 -6.502 1.00 0.00 C ATOM 171 CG GLU A 427 -1.088 -4.514 -7.783 1.00 0.00 C ATOM 172 CD GLU A 427 -1.472 -5.515 -8.855 1.00 0.00 C ATOM 173 OE1 GLU A 427 -1.974 -6.601 -8.499 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.272 -5.211 -10.050 1.00 0.00 O ATOM 0 H GLU A 427 -3.513 -3.202 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.706 -3.534 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.574 -5.621 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.940 -4.806 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.242 -3.504 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -0.025 -4.613 -7.562 1.00 0.00 H new ATOM 181 N VAL A 428 -0.923 -1.439 -6.427 1.00 0.00 N ATOM 182 CA VAL A 428 -1.035 -0.147 -7.093 1.00 0.00 C ATOM 183 C VAL A 428 -1.709 -0.286 -8.454 1.00 0.00 C ATOM 184 O VAL A 428 -1.401 -1.200 -9.220 1.00 0.00 O ATOM 185 CB VAL A 428 0.347 0.508 -7.282 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.207 1.863 -7.959 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.060 0.641 -5.945 1.00 0.00 C ATOM 0 H VAL A 428 0.025 -1.686 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.646 0.488 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 428 0.949 -0.132 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.193 2.311 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.260 1.735 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.412 2.515 -7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.034 1.105 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.464 1.260 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.194 -0.347 -5.504 1.00 0.00 H new ATOM 197 N CYS A 429 -2.629 0.626 -8.747 1.00 0.00 N ATOM 198 CA CYS A 429 -3.348 0.605 -10.016 1.00 0.00 C ATOM 199 C CYS A 429 -2.704 1.554 -11.022 1.00 0.00 C ATOM 200 O CYS A 429 -2.589 1.235 -12.205 1.00 0.00 O ATOM 201 CB CYS A 429 -4.813 0.987 -9.802 1.00 0.00 C ATOM 202 SG CYS A 429 -5.826 0.896 -11.297 1.00 0.00 S ATOM 0 H CYS A 429 -2.895 1.389 -8.124 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.299 -0.408 -10.416 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.242 0.330 -9.045 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.859 2.002 -9.406 1.00 0.00 H new ATOM 0 HG CYS A 429 -7.049 1.235 -11.014 1.00 0.00 H new ATOM 208 N GLU A 430 -2.288 2.722 -10.543 1.00 0.00 N ATOM 209 CA GLU A 430 -1.658 3.719 -11.401 1.00 0.00 C ATOM 210 C GLU A 430 -0.375 4.250 -10.767 1.00 0.00 C ATOM 211 O GLU A 430 -0.078 3.965 -9.608 1.00 0.00 O ATOM 212 CB GLU A 430 -2.623 4.875 -11.671 1.00 0.00 C ATOM 213 CG GLU A 430 -2.163 5.804 -12.782 1.00 0.00 C ATOM 214 CD GLU A 430 -1.606 5.054 -13.976 1.00 0.00 C ATOM 215 OE1 GLU A 430 -2.131 3.966 -14.293 1.00 0.00 O ATOM 216 OE2 GLU A 430 -0.643 5.556 -14.594 1.00 0.00 O ATOM 0 H GLU A 430 -2.376 3.001 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.404 3.239 -12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.601 4.468 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.750 5.452 -10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -3.001 6.422 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.400 6.479 -12.394 1.00 0.00 H new ATOM 223 N GLY A 431 0.383 5.024 -11.538 1.00 0.00 N ATOM 224 CA GLY A 431 1.625 5.583 -11.037 1.00 0.00 C ATOM 225 C GLY A 431 2.821 4.703 -11.341 1.00 0.00 C ATOM 226 O GLY A 431 2.713 3.477 -11.340 1.00 0.00 O ATOM 0 H GLY A 431 0.159 5.274 -12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 431 1.781 6.568 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.547 5.725 -9.959 1.00 0.00 H new ATOM 230 N GLU A 432 3.963 5.330 -11.605 1.00 0.00 N ATOM 231 CA GLU A 432 5.183 4.595 -11.916 1.00 0.00 C ATOM 232 C GLU A 432 5.255 3.298 -11.116 1.00 0.00 C ATOM 233 O GLU A 432 5.789 2.292 -11.587 1.00 0.00 O ATOM 234 CB GLU A 432 6.413 5.457 -11.624 1.00 0.00 C ATOM 235 CG GLU A 432 7.689 4.932 -12.260 1.00 0.00 C ATOM 236 CD GLU A 432 8.931 5.322 -11.482 1.00 0.00 C ATOM 237 OE1 GLU A 432 9.178 4.719 -10.417 1.00 0.00 O ATOM 238 OE2 GLU A 432 9.656 6.230 -11.939 1.00 0.00 O ATOM 0 H GLU A 432 4.069 6.345 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 432 5.167 4.347 -12.977 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.229 6.470 -11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 432 6.554 5.520 -10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 432 7.635 3.846 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.767 5.314 -13.278 1.00 0.00 H new ATOM 245 N LEU A 433 4.716 3.328 -9.902 1.00 0.00 N ATOM 246 CA LEU A 433 4.719 2.155 -9.034 1.00 0.00 C ATOM 247 C LEU A 433 3.536 1.244 -9.345 1.00 0.00 C ATOM 248 O LEU A 433 2.931 0.666 -8.442 1.00 0.00 O ATOM 249 CB LEU A 433 4.677 2.582 -7.566 1.00 0.00 C ATOM 250 CG LEU A 433 5.678 3.662 -7.152 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.244 4.322 -5.853 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.072 3.069 -7.011 1.00 0.00 C ATOM 0 H LEU A 433 4.271 4.151 -9.496 1.00 0.00 H new ATOM 0 HA LEU A 433 5.639 1.600 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.672 2.941 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.847 1.701 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 433 5.705 4.424 -7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 433 5.968 5.087 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.265 4.781 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.188 3.571 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.772 3.851 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 433 7.060 2.287 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.384 2.643 -7.965 1.00 0.00 H new ATOM 264 N ILE A 434 3.212 1.121 -10.628 1.00 0.00 N ATOM 265 CA ILE A 434 2.103 0.277 -11.057 1.00 0.00 C ATOM 266 C ILE A 434 2.457 -1.201 -10.934 1.00 0.00 C ATOM 267 O ILE A 434 3.623 -1.559 -10.779 1.00 0.00 O ATOM 268 CB ILE A 434 1.699 0.578 -12.513 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.429 -0.193 -12.881 1.00 0.00 C ATOM 270 CG2 ILE A 434 2.834 0.224 -13.462 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.240 0.312 -14.141 1.00 0.00 C ATOM 0 H ILE A 434 3.701 1.594 -11.388 1.00 0.00 H new ATOM 0 HA ILE A 434 1.262 0.502 -10.401 1.00 0.00 H new ATOM 0 HB ILE A 434 1.495 1.645 -12.605 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.677 -1.247 -13.008 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.278 -0.130 -12.054 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.533 0.442 -14.487 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.716 0.812 -13.210 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.067 -0.837 -13.371 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -1.133 -0.280 -14.341 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.520 1.357 -14.011 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.450 0.223 -14.980 1.00 0.00 H new ATOM 283 N ASN A 435 1.441 -2.055 -11.007 1.00 0.00 N ATOM 284 CA ASN A 435 1.644 -3.495 -10.905 1.00 0.00 C ATOM 285 C ASN A 435 2.527 -3.836 -9.708 1.00 0.00 C ATOM 286 O ASN A 435 3.318 -4.779 -9.755 1.00 0.00 O ATOM 287 CB ASN A 435 2.277 -4.034 -12.189 1.00 0.00 C ATOM 288 CG ASN A 435 3.695 -3.535 -12.389 1.00 0.00 C ATOM 289 OD1 ASN A 435 4.562 -3.741 -11.539 1.00 0.00 O ATOM 290 ND2 ASN A 435 3.937 -2.875 -13.515 1.00 0.00 N ATOM 0 H ASN A 435 0.469 -1.774 -11.136 1.00 0.00 H new ATOM 0 HA ASN A 435 0.671 -3.965 -10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 435 2.279 -5.124 -12.160 1.00 0.00 H new ATOM 0 HB3 ASN A 435 1.667 -3.739 -13.043 1.00 0.00 H new ATOM 0 HD21 ASN A 435 4.872 -2.515 -13.704 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.188 -2.728 -14.191 1.00 0.00 H new ATOM 297 N LEU A 436 2.385 -3.064 -8.636 1.00 0.00 N ATOM 298 CA LEU A 436 3.169 -3.285 -7.426 1.00 0.00 C ATOM 299 C LEU A 436 2.284 -3.780 -6.287 1.00 0.00 C ATOM 300 O LEU A 436 1.554 -3.003 -5.672 1.00 0.00 O ATOM 301 CB LEU A 436 3.878 -1.994 -7.011 1.00 0.00 C ATOM 302 CG LEU A 436 4.811 -2.098 -5.805 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.075 -2.861 -6.172 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.156 -0.714 -5.276 1.00 0.00 C ATOM 0 H LEU A 436 1.735 -2.280 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 436 3.915 -4.050 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.455 -1.631 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.121 -1.241 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 436 4.295 -2.647 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.727 -2.925 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.811 -3.866 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.594 -2.340 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.821 -0.808 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.652 -0.139 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.243 -0.202 -4.973 1.00 0.00 H new ATOM 316 N GLN A 437 2.356 -5.078 -6.010 1.00 0.00 N ATOM 317 CA GLN A 437 1.562 -5.677 -4.943 1.00 0.00 C ATOM 318 C GLN A 437 2.329 -5.670 -3.625 1.00 0.00 C ATOM 319 O GLN A 437 3.548 -5.508 -3.605 1.00 0.00 O ATOM 320 CB GLN A 437 1.170 -7.108 -5.312 1.00 0.00 C ATOM 321 CG GLN A 437 2.359 -8.041 -5.478 1.00 0.00 C ATOM 322 CD GLN A 437 2.842 -8.612 -4.159 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.086 -8.691 -3.190 1.00 0.00 O ATOM 324 NE2 GLN A 437 4.107 -9.013 -4.115 1.00 0.00 N ATOM 0 H GLN A 437 2.956 -5.735 -6.509 1.00 0.00 H new ATOM 0 HA GLN A 437 0.658 -5.082 -4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.511 -7.506 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.599 -7.092 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 437 2.084 -8.859 -6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.176 -7.501 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 437 4.698 -8.929 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 437 4.488 -9.405 -3.254 1.00 0.00 H new ATOM 333 N GLY A 438 1.605 -5.847 -2.524 1.00 0.00 N ATOM 334 CA GLY A 438 2.234 -5.858 -1.216 1.00 0.00 C ATOM 335 C GLY A 438 1.223 -5.885 -0.087 1.00 0.00 C ATOM 336 O GLY A 438 0.015 -5.875 -0.324 1.00 0.00 O ATOM 0 H GLY A 438 0.594 -5.983 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.886 -6.728 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.866 -4.976 -1.113 1.00 0.00 H new ATOM 340 N LYS A 439 1.717 -5.922 1.146 1.00 0.00 N ATOM 341 CA LYS A 439 0.849 -5.951 2.318 1.00 0.00 C ATOM 342 C LYS A 439 0.737 -4.566 2.947 1.00 0.00 C ATOM 343 O LYS A 439 1.667 -3.762 2.871 1.00 0.00 O ATOM 344 CB LYS A 439 1.383 -6.949 3.348 1.00 0.00 C ATOM 345 CG LYS A 439 0.832 -8.354 3.177 1.00 0.00 C ATOM 346 CD LYS A 439 1.555 -9.349 4.068 1.00 0.00 C ATOM 347 CE LYS A 439 1.587 -10.736 3.444 1.00 0.00 C ATOM 348 NZ LYS A 439 0.257 -11.402 3.506 1.00 0.00 N ATOM 0 H LYS A 439 2.714 -5.933 1.360 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.144 -6.266 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.470 -6.983 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.139 -6.591 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.232 -8.360 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.929 -8.660 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 439 2.574 -9.006 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.060 -9.397 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 439 1.907 -10.660 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 439 2.325 -11.350 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 0.328 -12.358 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -0.053 -11.467 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -0.435 -10.847 2.963 1.00 0.00 H new ATOM 362 N ILE A 440 -0.406 -4.294 3.568 1.00 0.00 N ATOM 363 CA ILE A 440 -0.637 -3.007 4.212 1.00 0.00 C ATOM 364 C ILE A 440 -0.215 -3.041 5.676 1.00 0.00 C ATOM 365 O ILE A 440 -0.457 -4.022 6.381 1.00 0.00 O ATOM 366 CB ILE A 440 -2.118 -2.593 4.126 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.598 -2.633 2.674 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.315 -1.204 4.716 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.102 -2.732 2.537 1.00 0.00 C ATOM 0 H ILE A 440 -1.186 -4.947 3.639 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.031 -2.274 3.679 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.712 -3.300 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.253 -1.735 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.139 -3.484 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.367 -0.926 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.007 -1.206 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.713 -0.484 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.370 -2.756 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.452 -3.644 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.568 -1.868 3.010 1.00 0.00 H new ATOM 381 N LEU A 441 0.417 -1.963 6.129 1.00 0.00 N ATOM 382 CA LEU A 441 0.872 -1.868 7.512 1.00 0.00 C ATOM 383 C LEU A 441 -0.095 -1.036 8.348 1.00 0.00 C ATOM 384 O LEU A 441 -0.531 -1.460 9.418 1.00 0.00 O ATOM 385 CB LEU A 441 2.271 -1.253 7.567 1.00 0.00 C ATOM 386 CG LEU A 441 3.414 -2.138 7.069 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.639 -1.297 6.746 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.753 -3.204 8.101 1.00 0.00 C ATOM 0 H LEU A 441 0.626 -1.143 5.559 1.00 0.00 H new ATOM 0 HA LEU A 441 0.907 -2.875 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.266 -0.335 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.481 -0.969 8.598 1.00 0.00 H new ATOM 0 HG LEU A 441 3.090 -2.636 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.442 -1.944 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.389 -0.573 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.965 -0.770 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.569 -3.824 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 441 4.057 -2.726 9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.877 -3.827 8.282 1.00 0.00 H new ATOM 400 N SER A 442 -0.429 0.151 7.850 1.00 0.00 N ATOM 401 CA SER A 442 -1.344 1.044 8.552 1.00 0.00 C ATOM 402 C SER A 442 -2.091 1.939 7.567 1.00 0.00 C ATOM 403 O SER A 442 -1.781 1.966 6.377 1.00 0.00 O ATOM 404 CB SER A 442 -0.578 1.904 9.560 1.00 0.00 C ATOM 405 OG SER A 442 0.120 1.096 10.491 1.00 0.00 O ATOM 0 H SER A 442 -0.080 0.516 6.964 1.00 0.00 H new ATOM 0 HA SER A 442 -2.072 0.433 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.126 2.548 9.033 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.273 2.556 10.089 1.00 0.00 H new ATOM 0 HG SER A 442 0.603 1.668 11.123 1.00 0.00 H new ATOM 411 N VAL A 443 -3.079 2.669 8.074 1.00 0.00 N ATOM 412 CA VAL A 443 -3.872 3.566 7.242 1.00 0.00 C ATOM 413 C VAL A 443 -3.876 4.982 7.808 1.00 0.00 C ATOM 414 O VAL A 443 -4.354 5.215 8.918 1.00 0.00 O ATOM 415 CB VAL A 443 -5.325 3.073 7.111 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.147 4.048 6.281 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.361 1.679 6.502 1.00 0.00 C ATOM 0 H VAL A 443 -3.350 2.657 9.057 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.409 3.574 6.255 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.764 3.021 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.171 3.683 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.148 5.026 6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.712 4.135 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.395 1.346 6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.904 1.702 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.809 0.989 7.140 1.00 0.00 H new ATOM 427 N ASP A 444 -3.341 5.923 7.038 1.00 0.00 N ATOM 428 CA ASP A 444 -3.284 7.317 7.462 1.00 0.00 C ATOM 429 C ASP A 444 -4.210 8.181 6.612 1.00 0.00 C ATOM 430 O ASP A 444 -3.807 8.708 5.577 1.00 0.00 O ATOM 431 CB ASP A 444 -1.850 7.842 7.372 1.00 0.00 C ATOM 432 CG ASP A 444 -1.018 7.462 8.581 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.076 6.286 8.995 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.309 8.342 9.113 1.00 0.00 O ATOM 0 H ASP A 444 -2.941 5.746 6.117 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.617 7.370 8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.378 7.449 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.869 8.927 7.274 1.00 0.00 H new ATOM 439 N GLY A 445 -5.455 8.322 7.058 1.00 0.00 N ATOM 440 CA GLY A 445 -6.419 9.122 6.326 1.00 0.00 C ATOM 441 C GLY A 445 -6.368 8.869 4.832 1.00 0.00 C ATOM 442 O GLY A 445 -6.857 7.848 4.351 1.00 0.00 O ATOM 0 H GLY A 445 -5.813 7.896 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.422 8.904 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.231 10.178 6.519 1.00 0.00 H new ATOM 446 N ASN A 446 -5.774 9.803 4.096 1.00 0.00 N ATOM 447 CA ASN A 446 -5.662 9.678 2.647 1.00 0.00 C ATOM 448 C ASN A 446 -4.446 8.839 2.266 1.00 0.00 C ATOM 449 O ASN A 446 -4.481 8.077 1.299 1.00 0.00 O ATOM 450 CB ASN A 446 -5.565 11.061 2.001 1.00 0.00 C ATOM 451 CG ASN A 446 -6.313 12.120 2.786 1.00 0.00 C ATOM 452 OD1 ASN A 446 -5.732 13.119 3.213 1.00 0.00 O ATOM 453 ND2 ASN A 446 -7.609 11.907 2.982 1.00 0.00 N ATOM 0 H ASN A 446 -5.363 10.654 4.479 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.557 9.176 2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.517 11.347 1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.964 11.014 0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -8.164 12.585 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -8.049 11.065 2.610 1.00 0.00 H new ATOM 460 N LYS A 447 -3.370 8.984 3.033 1.00 0.00 N ATOM 461 CA LYS A 447 -2.143 8.239 2.778 1.00 0.00 C ATOM 462 C LYS A 447 -2.156 6.902 3.511 1.00 0.00 C ATOM 463 O LYS A 447 -2.582 6.819 4.663 1.00 0.00 O ATOM 464 CB LYS A 447 -0.926 9.059 3.212 1.00 0.00 C ATOM 465 CG LYS A 447 -0.558 10.164 2.238 1.00 0.00 C ATOM 466 CD LYS A 447 0.543 11.053 2.792 1.00 0.00 C ATOM 467 CE LYS A 447 0.025 11.956 3.901 1.00 0.00 C ATOM 468 NZ LYS A 447 0.812 13.216 4.003 1.00 0.00 N ATOM 0 H LYS A 447 -3.323 9.611 3.836 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.080 8.045 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.125 9.499 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.072 8.392 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.232 9.725 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.439 10.767 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.354 10.434 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.959 11.662 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.022 12.196 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.066 11.424 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.428 13.804 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.806 12.989 4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.752 13.736 3.105 1.00 0.00 H new ATOM 482 N ILE A 448 -1.686 5.858 2.837 1.00 0.00 N ATOM 483 CA ILE A 448 -1.641 4.525 3.426 1.00 0.00 C ATOM 484 C ILE A 448 -0.215 3.985 3.457 1.00 0.00 C ATOM 485 O ILE A 448 0.372 3.691 2.416 1.00 0.00 O ATOM 486 CB ILE A 448 -2.535 3.538 2.653 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.901 4.167 2.370 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.694 2.243 3.435 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.742 4.368 3.611 1.00 0.00 C ATOM 0 H ILE A 448 -1.331 5.909 1.882 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.014 4.618 4.446 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.058 3.308 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.754 5.130 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.446 3.533 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.329 1.556 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.715 1.789 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.152 2.455 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.696 4.818 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -4.920 3.405 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.217 5.026 4.303 1.00 0.00 H new ATOM 501 N THR A 449 0.336 3.855 4.660 1.00 0.00 N ATOM 502 CA THR A 449 1.693 3.350 4.828 1.00 0.00 C ATOM 503 C THR A 449 1.731 1.830 4.713 1.00 0.00 C ATOM 504 O THR A 449 1.173 1.121 5.550 1.00 0.00 O ATOM 505 CB THR A 449 2.282 3.765 6.189 1.00 0.00 C ATOM 506 OG1 THR A 449 2.200 5.186 6.346 1.00 0.00 O ATOM 507 CG2 THR A 449 3.732 3.321 6.309 1.00 0.00 C ATOM 0 H THR A 449 -0.137 4.092 5.532 1.00 0.00 H new ATOM 0 HA THR A 449 2.295 3.788 4.031 1.00 0.00 H new ATOM 0 HB THR A 449 1.703 3.279 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.575 5.441 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.127 3.625 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.789 2.236 6.218 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.321 3.783 5.516 1.00 0.00 H new ATOM 515 N ILE A 450 2.394 1.337 3.672 1.00 0.00 N ATOM 516 CA ILE A 450 2.506 -0.099 3.449 1.00 0.00 C ATOM 517 C ILE A 450 3.942 -0.493 3.119 1.00 0.00 C ATOM 518 O ILE A 450 4.833 0.355 3.067 1.00 0.00 O ATOM 519 CB ILE A 450 1.582 -0.566 2.309 1.00 0.00 C ATOM 520 CG1 ILE A 450 2.058 0.004 0.971 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.146 -0.149 2.587 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.726 -0.877 -0.213 1.00 0.00 C ATOM 0 H ILE A 450 2.861 1.911 2.970 1.00 0.00 H new ATOM 0 HA ILE A 450 2.201 -0.587 4.375 1.00 0.00 H new ATOM 0 HB ILE A 450 1.620 -1.654 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.606 0.985 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.137 0.153 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.495 -0.486 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.189 -0.598 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.091 0.937 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 450 2.093 -0.411 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.200 -1.850 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.646 -1.005 -0.279 1.00 0.00 H new ATOM 534 N MET A 451 4.158 -1.785 2.893 1.00 0.00 N ATOM 535 CA MET A 451 5.485 -2.291 2.564 1.00 0.00 C ATOM 536 C MET A 451 5.421 -3.264 1.391 1.00 0.00 C ATOM 537 O MET A 451 4.951 -4.396 1.518 1.00 0.00 O ATOM 538 CB MET A 451 6.108 -2.980 3.780 1.00 0.00 C ATOM 539 CG MET A 451 7.329 -3.821 3.443 1.00 0.00 C ATOM 540 SD MET A 451 8.500 -2.952 2.383 1.00 0.00 S ATOM 541 CE MET A 451 9.454 -2.050 3.600 1.00 0.00 C ATOM 0 H MET A 451 3.431 -2.500 2.932 1.00 0.00 H new ATOM 0 HA MET A 451 6.108 -1.444 2.277 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.389 -2.223 4.512 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.358 -3.615 4.251 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.829 -4.115 4.366 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.008 -4.738 2.948 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.125 -1.356 3.094 1.00 0.00 H new ATOM 0 HE2 MET A 451 8.780 -1.493 4.251 1.00 0.00 H new ATOM 0 HE3 MET A 451 10.038 -2.751 4.196 1.00 0.00 H new ATOM 551 N PRO A 452 5.902 -2.817 0.222 1.00 0.00 N ATOM 552 CA PRO A 452 5.910 -3.634 -0.995 1.00 0.00 C ATOM 553 C PRO A 452 6.905 -4.786 -0.914 1.00 0.00 C ATOM 554 O PRO A 452 8.063 -4.595 -0.542 1.00 0.00 O ATOM 555 CB PRO A 452 6.327 -2.642 -2.085 1.00 0.00 C ATOM 556 CG PRO A 452 7.100 -1.592 -1.365 1.00 0.00 C ATOM 557 CD PRO A 452 6.477 -1.480 -0.001 1.00 0.00 C ATOM 0 HA PRO A 452 4.944 -4.106 -1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.934 -3.126 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.458 -2.219 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.153 -1.864 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.053 -0.641 -1.895 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.217 -1.229 0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.713 -0.704 0.029 1.00 0.00 H new ATOM 565 N LYS A 453 6.448 -5.983 -1.266 1.00 0.00 N ATOM 566 CA LYS A 453 7.298 -7.167 -1.235 1.00 0.00 C ATOM 567 C LYS A 453 8.317 -7.134 -2.369 1.00 0.00 C ATOM 568 O LYS A 453 8.109 -7.738 -3.422 1.00 0.00 O ATOM 569 CB LYS A 453 6.446 -8.434 -1.336 1.00 0.00 C ATOM 570 CG LYS A 453 5.541 -8.656 -0.137 1.00 0.00 C ATOM 571 CD LYS A 453 6.318 -9.178 1.060 1.00 0.00 C ATOM 572 CE LYS A 453 5.387 -9.663 2.160 1.00 0.00 C ATOM 573 NZ LYS A 453 4.697 -10.928 1.785 1.00 0.00 N ATOM 0 H LYS A 453 5.492 -6.159 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 453 7.836 -7.174 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.835 -8.380 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.104 -9.296 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.050 -7.720 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.756 -9.365 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.968 -9.995 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.963 -8.390 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.957 -9.818 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.645 -8.894 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 4.278 -11.359 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 3.947 -10.723 1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.384 -11.587 1.365 1.00 0.00 H new ATOM 587 N HIS A 454 9.421 -6.428 -2.147 1.00 0.00 N ATOM 588 CA HIS A 454 10.475 -6.319 -3.150 1.00 0.00 C ATOM 589 C HIS A 454 11.851 -6.302 -2.492 1.00 0.00 C ATOM 590 O HIS A 454 12.070 -5.597 -1.508 1.00 0.00 O ATOM 591 CB HIS A 454 10.281 -5.056 -3.988 1.00 0.00 C ATOM 592 CG HIS A 454 10.993 -5.096 -5.305 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.193 -5.748 -5.492 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.666 -4.560 -6.505 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.575 -5.611 -6.750 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.666 -4.895 -7.386 1.00 0.00 N ATOM 0 H HIS A 454 9.609 -5.923 -1.281 1.00 0.00 H new ATOM 0 HA HIS A 454 10.415 -7.191 -3.802 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.216 -4.907 -4.165 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.633 -4.195 -3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.784 -3.978 -6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.477 -6.016 -7.184 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.700 -4.633 -8.371 1.00 0.00 H new ATOM 604 N GLU A 455 12.775 -7.083 -3.044 1.00 0.00 N ATOM 605 CA GLU A 455 14.130 -7.157 -2.509 1.00 0.00 C ATOM 606 C GLU A 455 14.837 -5.810 -2.631 1.00 0.00 C ATOM 607 O GLU A 455 15.493 -5.354 -1.694 1.00 0.00 O ATOM 608 CB GLU A 455 14.932 -8.235 -3.240 1.00 0.00 C ATOM 609 CG GLU A 455 14.396 -9.641 -3.029 1.00 0.00 C ATOM 610 CD GLU A 455 13.353 -10.028 -4.059 1.00 0.00 C ATOM 611 OE1 GLU A 455 12.862 -9.129 -4.773 1.00 0.00 O ATOM 612 OE2 GLU A 455 13.026 -11.230 -4.150 1.00 0.00 O ATOM 0 H GLU A 455 12.610 -7.672 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 455 14.063 -7.418 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.935 -8.013 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.968 -8.196 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 455 15.222 -10.351 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 455 13.962 -9.714 -2.032 1.00 0.00 H new ATOM 619 N ASP A 456 14.700 -5.180 -3.792 1.00 0.00 N ATOM 620 CA ASP A 456 15.325 -3.885 -4.038 1.00 0.00 C ATOM 621 C ASP A 456 14.909 -2.871 -2.978 1.00 0.00 C ATOM 622 O ASP A 456 15.753 -2.275 -2.307 1.00 0.00 O ATOM 623 CB ASP A 456 14.952 -3.371 -5.429 1.00 0.00 C ATOM 624 CG ASP A 456 15.091 -1.866 -5.546 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.216 -1.392 -5.806 1.00 0.00 O ATOM 626 OD2 ASP A 456 14.074 -1.161 -5.376 1.00 0.00 O ATOM 0 H ASP A 456 14.162 -5.545 -4.578 1.00 0.00 H new ATOM 0 HA ASP A 456 16.406 -4.015 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.588 -3.851 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.925 -3.657 -5.656 1.00 0.00 H new ATOM 631 N LEU A 457 13.602 -2.677 -2.833 1.00 0.00 N ATOM 632 CA LEU A 457 13.073 -1.733 -1.855 1.00 0.00 C ATOM 633 C LEU A 457 13.167 -2.301 -0.443 1.00 0.00 C ATOM 634 O LEU A 457 12.661 -3.388 -0.164 1.00 0.00 O ATOM 635 CB LEU A 457 11.618 -1.391 -2.183 1.00 0.00 C ATOM 636 CG LEU A 457 11.357 -0.849 -3.589 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.863 -0.720 -3.842 1.00 0.00 C ATOM 638 CD2 LEU A 457 12.049 0.493 -3.780 1.00 0.00 C ATOM 0 H LEU A 457 12.890 -3.161 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 457 13.674 -0.825 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.014 -2.288 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.267 -0.654 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 457 11.768 -1.554 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.696 -0.333 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.392 -1.698 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.428 -0.036 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.853 0.864 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.668 1.206 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 457 13.123 0.371 -3.642 1.00 0.00 H new ATOM 650 N LYS A 458 13.818 -1.558 0.446 1.00 0.00 N ATOM 651 CA LYS A 458 13.977 -1.985 1.831 1.00 0.00 C ATOM 652 C LYS A 458 13.073 -1.177 2.757 1.00 0.00 C ATOM 653 O LYS A 458 12.393 -1.735 3.619 1.00 0.00 O ATOM 654 CB LYS A 458 15.436 -1.837 2.268 1.00 0.00 C ATOM 655 CG LYS A 458 16.378 -2.810 1.582 1.00 0.00 C ATOM 656 CD LYS A 458 16.279 -4.201 2.186 1.00 0.00 C ATOM 657 CE LYS A 458 16.964 -4.270 3.542 1.00 0.00 C ATOM 658 NZ LYS A 458 18.446 -4.185 3.421 1.00 0.00 N ATOM 0 H LYS A 458 14.244 -0.656 0.232 1.00 0.00 H new ATOM 0 HA LYS A 458 13.689 -3.034 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.766 -0.819 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.500 -1.982 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.143 -2.856 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 458 17.402 -2.447 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 458 15.230 -4.479 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 458 16.734 -4.925 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 458 16.604 -3.457 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 458 16.693 -5.202 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 18.885 -4.486 4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 18.768 -4.806 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 18.722 -3.204 3.213 1.00 0.00 H new ATOM 672 N ASP A 459 13.068 0.138 2.572 1.00 0.00 N ATOM 673 CA ASP A 459 12.246 1.023 3.388 1.00 0.00 C ATOM 674 C ASP A 459 10.805 1.040 2.888 1.00 0.00 C ATOM 675 O ASP A 459 10.554 0.974 1.685 1.00 0.00 O ATOM 676 CB ASP A 459 12.819 2.441 3.379 1.00 0.00 C ATOM 677 CG ASP A 459 13.327 2.850 2.011 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.596 2.642 1.020 1.00 0.00 O ATOM 679 OD2 ASP A 459 14.456 3.378 1.930 1.00 0.00 O ATOM 0 H ASP A 459 13.625 0.615 1.863 1.00 0.00 H new ATOM 0 HA ASP A 459 12.253 0.644 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.050 3.143 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.634 2.505 4.100 1.00 0.00 H new ATOM 684 N MET A 460 9.861 1.128 3.820 1.00 0.00 N ATOM 685 CA MET A 460 8.445 1.154 3.473 1.00 0.00 C ATOM 686 C MET A 460 8.082 2.455 2.765 1.00 0.00 C ATOM 687 O MET A 460 8.854 3.416 2.776 1.00 0.00 O ATOM 688 CB MET A 460 7.587 0.986 4.729 1.00 0.00 C ATOM 689 CG MET A 460 7.606 2.200 5.644 1.00 0.00 C ATOM 690 SD MET A 460 7.222 1.784 7.356 1.00 0.00 S ATOM 691 CE MET A 460 7.069 3.418 8.074 1.00 0.00 C ATOM 0 H MET A 460 10.051 1.182 4.821 1.00 0.00 H new ATOM 0 HA MET A 460 8.248 0.325 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.558 0.781 4.432 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.937 0.116 5.285 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.589 2.668 5.600 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.886 2.934 5.282 1.00 0.00 H new ATOM 0 HE1 MET A 460 6.644 3.337 9.075 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.053 3.883 8.134 1.00 0.00 H new ATOM 0 HE3 MET A 460 6.416 4.029 7.451 1.00 0.00 H new ATOM 701 N LEU A 461 6.905 2.481 2.151 1.00 0.00 N ATOM 702 CA LEU A 461 6.440 3.666 1.437 1.00 0.00 C ATOM 703 C LEU A 461 5.022 4.035 1.860 1.00 0.00 C ATOM 704 O LEU A 461 4.390 3.319 2.636 1.00 0.00 O ATOM 705 CB LEU A 461 6.489 3.428 -0.073 1.00 0.00 C ATOM 706 CG LEU A 461 7.880 3.228 -0.676 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.361 1.803 -0.448 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.869 3.557 -2.162 1.00 0.00 C ATOM 0 H LEU A 461 6.255 1.695 2.133 1.00 0.00 H new ATOM 0 HA LEU A 461 7.102 4.495 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.886 2.549 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.018 4.276 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 461 8.572 3.907 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.352 1.679 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.407 1.602 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.668 1.105 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.867 3.409 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.164 2.903 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.568 4.595 -2.303 1.00 0.00 H new ATOM 720 N GLU A 462 4.528 5.155 1.342 1.00 0.00 N ATOM 721 CA GLU A 462 3.183 5.617 1.666 1.00 0.00 C ATOM 722 C GLU A 462 2.440 6.052 0.406 1.00 0.00 C ATOM 723 O GLU A 462 2.808 7.035 -0.237 1.00 0.00 O ATOM 724 CB GLU A 462 3.244 6.777 2.662 1.00 0.00 C ATOM 725 CG GLU A 462 4.039 6.460 3.917 1.00 0.00 C ATOM 726 CD GLU A 462 5.523 6.727 3.751 1.00 0.00 C ATOM 727 OE1 GLU A 462 5.874 7.723 3.084 1.00 0.00 O ATOM 728 OE2 GLU A 462 6.331 5.941 4.286 1.00 0.00 O ATOM 0 H GLU A 462 5.038 5.759 0.697 1.00 0.00 H new ATOM 0 HA GLU A 462 2.640 4.787 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.687 7.644 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.229 7.055 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.657 7.057 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 462 3.889 5.413 4.183 1.00 0.00 H new ATOM 735 N PHE A 463 1.391 5.313 0.059 1.00 0.00 N ATOM 736 CA PHE A 463 0.596 5.621 -1.124 1.00 0.00 C ATOM 737 C PHE A 463 -0.849 5.928 -0.743 1.00 0.00 C ATOM 738 O PHE A 463 -1.393 5.387 0.220 1.00 0.00 O ATOM 739 CB PHE A 463 0.638 4.452 -2.110 1.00 0.00 C ATOM 740 CG PHE A 463 1.991 3.810 -2.222 1.00 0.00 C ATOM 741 CD1 PHE A 463 3.043 4.479 -2.826 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.211 2.536 -1.723 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.289 3.891 -2.930 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.455 1.943 -1.824 1.00 0.00 C ATOM 745 CZ PHE A 463 4.495 2.621 -2.429 1.00 0.00 C ATOM 0 H PHE A 463 1.072 4.497 0.580 1.00 0.00 H new ATOM 0 HA PHE A 463 1.023 6.504 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.088 3.700 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.330 4.806 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.887 5.472 -3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.401 2.001 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.101 4.424 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.614 0.950 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.468 2.159 -2.510 1.00 0.00 H new ATOM 755 N PRO A 464 -1.487 6.819 -1.517 1.00 0.00 N ATOM 756 CA PRO A 464 -2.878 7.219 -1.281 1.00 0.00 C ATOM 757 C PRO A 464 -3.864 6.098 -1.589 1.00 0.00 C ATOM 758 O PRO A 464 -3.584 5.219 -2.403 1.00 0.00 O ATOM 759 CB PRO A 464 -3.079 8.389 -2.248 1.00 0.00 C ATOM 760 CG PRO A 464 -2.087 8.156 -3.335 1.00 0.00 C ATOM 761 CD PRO A 464 -0.901 7.503 -2.681 1.00 0.00 C ATOM 0 HA PRO A 464 -3.057 7.475 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.097 8.410 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.908 9.345 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.504 7.517 -4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.802 9.094 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.408 6.801 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.153 8.237 -2.381 1.00 0.00 H new ATOM 769 N ALA A 465 -5.020 6.136 -0.933 1.00 0.00 N ATOM 770 CA ALA A 465 -6.048 5.124 -1.139 1.00 0.00 C ATOM 771 C ALA A 465 -6.378 4.970 -2.620 1.00 0.00 C ATOM 772 O ALA A 465 -6.720 3.880 -3.078 1.00 0.00 O ATOM 773 CB ALA A 465 -7.302 5.478 -0.352 1.00 0.00 C ATOM 0 H ALA A 465 -5.267 6.857 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.662 4.171 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.062 4.714 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.062 5.531 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.681 6.444 -0.687 1.00 0.00 H new ATOM 779 N GLN A 466 -6.273 6.068 -3.362 1.00 0.00 N ATOM 780 CA GLN A 466 -6.562 6.053 -4.792 1.00 0.00 C ATOM 781 C GLN A 466 -5.489 5.283 -5.556 1.00 0.00 C ATOM 782 O GLN A 466 -5.791 4.551 -6.497 1.00 0.00 O ATOM 783 CB GLN A 466 -6.660 7.482 -5.328 1.00 0.00 C ATOM 784 CG GLN A 466 -5.322 8.200 -5.395 1.00 0.00 C ATOM 785 CD GLN A 466 -5.468 9.709 -5.383 1.00 0.00 C ATOM 786 OE1 GLN A 466 -4.895 10.407 -6.221 1.00 0.00 O ATOM 787 NE2 GLN A 466 -6.239 10.222 -4.432 1.00 0.00 N ATOM 0 H GLN A 466 -5.990 6.978 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.518 5.551 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.100 7.458 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.338 8.053 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -4.706 7.892 -4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.796 7.897 -6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -6.695 9.607 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -6.376 11.231 -4.375 1.00 0.00 H new ATOM 796 N GLU A 467 -4.237 5.455 -5.143 1.00 0.00 N ATOM 797 CA GLU A 467 -3.121 4.777 -5.791 1.00 0.00 C ATOM 798 C GLU A 467 -3.179 3.273 -5.542 1.00 0.00 C ATOM 799 O GLU A 467 -2.916 2.472 -6.440 1.00 0.00 O ATOM 800 CB GLU A 467 -1.791 5.338 -5.283 1.00 0.00 C ATOM 801 CG GLU A 467 -1.317 6.564 -6.044 1.00 0.00 C ATOM 802 CD GLU A 467 -0.841 6.234 -7.445 1.00 0.00 C ATOM 803 OE1 GLU A 467 -1.695 5.941 -8.308 1.00 0.00 O ATOM 804 OE2 GLU A 467 0.385 6.266 -7.679 1.00 0.00 O ATOM 0 H GLU A 467 -3.971 6.057 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.196 4.953 -6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.893 5.593 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.029 4.561 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -2.130 7.288 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.506 7.039 -5.491 1.00 0.00 H new ATOM 811 N LEU A 468 -3.526 2.896 -4.316 1.00 0.00 N ATOM 812 CA LEU A 468 -3.619 1.487 -3.947 1.00 0.00 C ATOM 813 C LEU A 468 -5.029 0.955 -4.183 1.00 0.00 C ATOM 814 O LEU A 468 -6.003 1.490 -3.653 1.00 0.00 O ATOM 815 CB LEU A 468 -3.230 1.297 -2.480 1.00 0.00 C ATOM 816 CG LEU A 468 -1.749 1.487 -2.149 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.539 1.527 -0.643 1.00 0.00 C ATOM 818 CD2 LEU A 468 -0.916 0.378 -2.776 1.00 0.00 C ATOM 0 H LEU A 468 -3.747 3.545 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.928 0.926 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.809 1.997 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.524 0.293 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.423 2.440 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.479 1.663 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.105 2.356 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -1.882 0.591 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.135 0.529 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.244 -0.587 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.042 0.396 -3.859 1.00 0.00 H new ATOM 830 N ARG A 469 -5.130 -0.103 -4.981 1.00 0.00 N ATOM 831 CA ARG A 469 -6.421 -0.709 -5.287 1.00 0.00 C ATOM 832 C ARG A 469 -6.448 -2.174 -4.861 1.00 0.00 C ATOM 833 O ARG A 469 -5.426 -2.860 -4.893 1.00 0.00 O ATOM 834 CB ARG A 469 -6.719 -0.596 -6.783 1.00 0.00 C ATOM 835 CG ARG A 469 -7.769 -1.582 -7.271 1.00 0.00 C ATOM 836 CD ARG A 469 -8.541 -1.030 -8.459 1.00 0.00 C ATOM 837 NE ARG A 469 -9.252 -2.080 -9.185 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.298 -1.851 -9.970 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.752 -0.616 -10.131 1.00 0.00 N ATOM 840 NH2 ARG A 469 -10.891 -2.859 -10.597 1.00 0.00 N ATOM 0 H ARG A 469 -4.334 -0.558 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.188 -0.172 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -7.055 0.418 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -5.797 -0.754 -7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -7.288 -2.519 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -8.461 -1.810 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.254 -0.282 -8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -7.852 -0.524 -9.136 1.00 0.00 H new ATOM 0 HE ARG A 469 -8.927 -3.041 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.298 0.161 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -11.556 -0.443 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.543 -3.810 -10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -11.695 -2.683 -11.200 1.00 0.00 H new