USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 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= -0.155 K(o=-0.16,f=-1.6!) USER MOD Single : A 425 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.4) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -7.06! C(o=-7.1!,f=-6.7!) USER MOD Single : A 437 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.7!) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc=-0.000453 (180deg=-0.000453) USER MOD Single : A 442 SER OG : rot 5:sc= 0.36 USER MOD Single : A 446 ASN : amide:sc= 0.0443 K(o=0.044,f=-0.91) USER MOD Single : A 447 LYS NZ :NH3+ -161:sc= 0.946 (180deg=0.698) USER MOD Single : A 449 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 451 MET CE :methyl -115:sc= -2.53 (180deg=-5.92!) USER MOD Single : A 453 LYS NZ :NH3+ 150:sc= -0.258 (180deg=-1.44!) USER MOD Single : A 454 HIS : no HD1:sc= 0.196 K(o=0.2,f=-4.5!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl -162:sc= -0.0141 (180deg=-0.247) USER MOD Single : A 466 GLN : amide:sc= -0.0304 K(o=-0.03,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.365 1.692 5.910 1.00 0.00 N ATOM 67 CA PHE A 420 -9.647 0.459 5.606 1.00 0.00 C ATOM 68 C PHE A 420 -8.726 0.068 6.758 1.00 0.00 C ATOM 69 O PHE A 420 -8.323 0.912 7.557 1.00 0.00 O ATOM 70 CB PHE A 420 -8.834 0.622 4.320 1.00 0.00 C ATOM 71 CG PHE A 420 -9.672 0.600 3.074 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.298 -0.566 2.664 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.833 1.746 2.312 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.070 -0.589 1.518 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.604 1.729 1.165 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.222 0.560 0.767 1.00 0.00 C ATOM 0 HA PHE A 420 -10.381 -0.335 5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.286 1.563 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.093 -0.176 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.181 -1.468 3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.351 2.663 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.554 -1.504 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.723 2.629 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.823 0.544 -0.130 1.00 0.00 H new ATOM 86 N GLN A 421 -8.399 -1.218 6.835 1.00 0.00 N ATOM 87 CA GLN A 421 -7.528 -1.722 7.889 1.00 0.00 C ATOM 88 C GLN A 421 -6.286 -2.384 7.299 1.00 0.00 C ATOM 89 O GLN A 421 -6.342 -3.059 6.271 1.00 0.00 O ATOM 90 CB GLN A 421 -8.282 -2.720 8.770 1.00 0.00 C ATOM 91 CG GLN A 421 -9.272 -2.065 9.720 1.00 0.00 C ATOM 92 CD GLN A 421 -9.564 -2.919 10.938 1.00 0.00 C ATOM 93 OE1 GLN A 421 -8.715 -3.687 11.390 1.00 0.00 O ATOM 94 NE2 GLN A 421 -10.770 -2.787 11.478 1.00 0.00 N ATOM 0 H GLN A 421 -8.724 -1.929 6.180 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.212 -0.876 8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.815 -3.425 8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.562 -3.297 9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -8.877 -1.102 10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -10.203 -1.866 9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.443 -2.138 11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -11.023 -3.335 12.300 1.00 0.00 H new ATOM 103 N PRO A 422 -5.138 -2.188 7.964 1.00 0.00 N ATOM 104 CA PRO A 422 -3.861 -2.758 7.524 1.00 0.00 C ATOM 105 C PRO A 422 -3.814 -4.272 7.692 1.00 0.00 C ATOM 106 O PRO A 422 -4.595 -4.848 8.448 1.00 0.00 O ATOM 107 CB PRO A 422 -2.837 -2.085 8.442 1.00 0.00 C ATOM 108 CG PRO A 422 -3.606 -1.721 9.664 1.00 0.00 C ATOM 109 CD PRO A 422 -4.998 -1.395 9.197 1.00 0.00 C ATOM 0 HA PRO A 422 -3.681 -2.585 6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.014 -2.759 8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.402 -1.204 7.971 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.617 -2.545 10.378 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.154 -0.867 10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.746 -1.671 9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.118 -0.329 9.005 1.00 0.00 H new ATOM 117 N GLY A 423 -2.891 -4.914 6.981 1.00 0.00 N ATOM 118 CA GLY A 423 -2.758 -6.356 7.066 1.00 0.00 C ATOM 119 C GLY A 423 -3.215 -7.056 5.802 1.00 0.00 C ATOM 120 O GLY A 423 -2.848 -8.205 5.553 1.00 0.00 O ATOM 0 H GLY A 423 -2.233 -4.460 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.717 -6.611 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.341 -6.722 7.911 1.00 0.00 H new ATOM 124 N ASP A 424 -4.018 -6.364 5.001 1.00 0.00 N ATOM 125 CA ASP A 424 -4.525 -6.926 3.755 1.00 0.00 C ATOM 126 C ASP A 424 -3.511 -6.757 2.629 1.00 0.00 C ATOM 127 O ASP A 424 -2.527 -6.031 2.771 1.00 0.00 O ATOM 128 CB ASP A 424 -5.848 -6.260 3.372 1.00 0.00 C ATOM 129 CG ASP A 424 -7.044 -6.937 4.011 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.162 -8.175 3.888 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.862 -6.230 4.635 1.00 0.00 O ATOM 0 H ASP A 424 -4.332 -5.413 5.193 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.694 -7.992 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.824 -5.212 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -5.960 -6.279 2.288 1.00 0.00 H new ATOM 136 N ASN A 425 -3.756 -7.432 1.511 1.00 0.00 N ATOM 137 CA ASN A 425 -2.863 -7.358 0.361 1.00 0.00 C ATOM 138 C ASN A 425 -3.484 -6.527 -0.757 1.00 0.00 C ATOM 139 O ASN A 425 -4.562 -6.847 -1.259 1.00 0.00 O ATOM 140 CB ASN A 425 -2.539 -8.762 -0.152 1.00 0.00 C ATOM 141 CG ASN A 425 -3.744 -9.682 -0.117 1.00 0.00 C ATOM 142 OD1 ASN A 425 -3.849 -10.555 0.745 1.00 0.00 O ATOM 143 ND2 ASN A 425 -4.662 -9.491 -1.058 1.00 0.00 N ATOM 0 H ASN A 425 -4.566 -8.037 1.377 1.00 0.00 H new ATOM 0 HA ASN A 425 -1.940 -6.874 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.166 -8.695 -1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.740 -9.191 0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -5.494 -10.080 -1.085 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.534 -8.755 -1.753 1.00 0.00 H new ATOM 150 N VAL A 426 -2.796 -5.457 -1.144 1.00 0.00 N ATOM 151 CA VAL A 426 -3.279 -4.580 -2.205 1.00 0.00 C ATOM 152 C VAL A 426 -2.240 -4.432 -3.311 1.00 0.00 C ATOM 153 O VAL A 426 -1.179 -5.052 -3.265 1.00 0.00 O ATOM 154 CB VAL A 426 -3.636 -3.184 -1.660 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.792 -3.274 -0.676 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.420 -2.540 -1.009 1.00 0.00 C ATOM 0 H VAL A 426 -1.903 -5.177 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.177 -5.043 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.949 -2.556 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.030 -2.278 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.665 -3.691 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.511 -3.917 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.690 -1.554 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.075 -3.164 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.623 -2.439 -1.746 1.00 0.00 H new ATOM 166 N GLU A 427 -2.555 -3.605 -4.303 1.00 0.00 N ATOM 167 CA GLU A 427 -1.648 -3.376 -5.422 1.00 0.00 C ATOM 168 C GLU A 427 -1.967 -2.057 -6.119 1.00 0.00 C ATOM 169 O GLU A 427 -3.126 -1.758 -6.406 1.00 0.00 O ATOM 170 CB GLU A 427 -1.736 -4.530 -6.423 1.00 0.00 C ATOM 171 CG GLU A 427 -0.774 -4.396 -7.592 1.00 0.00 C ATOM 172 CD GLU A 427 -0.921 -5.519 -8.600 1.00 0.00 C ATOM 173 OE1 GLU A 427 -0.245 -6.556 -8.434 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.711 -5.361 -9.554 1.00 0.00 O ATOM 0 H GLU A 427 -3.430 -3.083 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.633 -3.323 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.535 -5.467 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.755 -4.590 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.944 -3.441 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.249 -4.382 -7.216 1.00 0.00 H new ATOM 181 N VAL A 428 -0.929 -1.271 -6.390 1.00 0.00 N ATOM 182 CA VAL A 428 -1.097 0.016 -7.054 1.00 0.00 C ATOM 183 C VAL A 428 -1.722 -0.156 -8.434 1.00 0.00 C ATOM 184 O VAL A 428 -1.347 -1.054 -9.189 1.00 0.00 O ATOM 185 CB VAL A 428 0.247 0.753 -7.199 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.047 2.103 -7.870 1.00 0.00 C ATOM 187 CG2 VAL A 428 0.914 0.917 -5.841 1.00 0.00 C ATOM 0 H VAL A 428 0.037 -1.504 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.762 0.611 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 428 0.903 0.154 -7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.008 2.609 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.384 1.957 -8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.627 2.713 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 428 1.863 1.440 -5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.263 1.494 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.094 -0.065 -5.403 1.00 0.00 H new ATOM 197 N CYS A 429 -2.674 0.711 -8.758 1.00 0.00 N ATOM 198 CA CYS A 429 -3.352 0.656 -10.049 1.00 0.00 C ATOM 199 C CYS A 429 -2.604 1.481 -11.091 1.00 0.00 C ATOM 200 O CYS A 429 -2.421 1.045 -12.227 1.00 0.00 O ATOM 201 CB CYS A 429 -4.789 1.161 -9.916 1.00 0.00 C ATOM 202 SG CYS A 429 -5.865 0.697 -11.293 1.00 0.00 S ATOM 0 H CYS A 429 -2.994 1.461 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.369 -0.383 -10.379 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.214 0.774 -8.990 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.774 2.248 -9.830 1.00 0.00 H new ATOM 0 HG CYS A 429 -7.059 1.168 -11.088 1.00 0.00 H new ATOM 208 N GLU A 430 -2.177 2.677 -10.696 1.00 0.00 N ATOM 209 CA GLU A 430 -1.452 3.564 -11.598 1.00 0.00 C ATOM 210 C GLU A 430 -0.322 4.281 -10.864 1.00 0.00 C ATOM 211 O GLU A 430 -0.289 4.314 -9.635 1.00 0.00 O ATOM 212 CB GLU A 430 -2.405 4.589 -12.216 1.00 0.00 C ATOM 213 CG GLU A 430 -1.800 5.359 -13.378 1.00 0.00 C ATOM 214 CD GLU A 430 -2.851 5.942 -14.302 1.00 0.00 C ATOM 215 OE1 GLU A 430 -3.781 6.608 -13.799 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.744 5.733 -15.529 1.00 0.00 O ATOM 0 H GLU A 430 -2.321 3.053 -9.759 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.018 2.957 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.304 4.076 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.715 5.295 -11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -1.176 6.164 -12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.148 4.697 -13.948 1.00 0.00 H new ATOM 223 N GLY A 431 0.603 4.854 -11.629 1.00 0.00 N ATOM 224 CA GLY A 431 1.722 5.562 -11.035 1.00 0.00 C ATOM 225 C GLY A 431 3.027 4.804 -11.174 1.00 0.00 C ATOM 226 O GLY A 431 3.031 3.578 -11.280 1.00 0.00 O ATOM 0 H GLY A 431 0.597 4.840 -12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 431 1.821 6.540 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.518 5.737 -9.979 1.00 0.00 H new ATOM 230 N GLU A 432 4.137 5.535 -11.176 1.00 0.00 N ATOM 231 CA GLU A 432 5.454 4.923 -11.306 1.00 0.00 C ATOM 232 C GLU A 432 5.502 3.577 -10.590 1.00 0.00 C ATOM 233 O GLU A 432 6.075 2.611 -11.096 1.00 0.00 O ATOM 234 CB GLU A 432 6.531 5.853 -10.742 1.00 0.00 C ATOM 235 CG GLU A 432 6.816 7.059 -11.620 1.00 0.00 C ATOM 236 CD GLU A 432 7.700 6.721 -12.805 1.00 0.00 C ATOM 237 OE1 GLU A 432 7.259 5.936 -13.670 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.833 7.243 -12.867 1.00 0.00 O ATOM 0 H GLU A 432 4.151 6.551 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 432 5.646 4.757 -12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.221 6.198 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.453 5.287 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 432 5.874 7.472 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.296 7.834 -11.022 1.00 0.00 H new ATOM 245 N LEU A 433 4.896 3.520 -9.409 1.00 0.00 N ATOM 246 CA LEU A 433 4.869 2.293 -8.621 1.00 0.00 C ATOM 247 C LEU A 433 3.698 1.407 -9.033 1.00 0.00 C ATOM 248 O LEU A 433 3.043 0.795 -8.189 1.00 0.00 O ATOM 249 CB LEU A 433 4.774 2.622 -7.130 1.00 0.00 C ATOM 250 CG LEU A 433 5.753 3.677 -6.612 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.258 4.265 -5.299 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.141 3.078 -6.441 1.00 0.00 C ATOM 0 H LEU A 433 4.417 4.309 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 433 5.795 1.750 -8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.760 2.960 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.929 1.703 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 433 5.814 4.480 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 433 5.967 5.014 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.285 4.731 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.167 3.472 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.824 3.843 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 433 7.097 2.256 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.498 2.706 -7.401 1.00 0.00 H new ATOM 264 N ILE A 434 3.442 1.342 -10.335 1.00 0.00 N ATOM 265 CA ILE A 434 2.353 0.528 -10.859 1.00 0.00 C ATOM 266 C ILE A 434 2.651 -0.959 -10.700 1.00 0.00 C ATOM 267 O ILE A 434 3.794 -1.352 -10.467 1.00 0.00 O ATOM 268 CB ILE A 434 2.089 0.830 -12.346 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.863 0.057 -12.837 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.311 0.481 -13.183 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.366 0.509 -14.192 1.00 0.00 C ATOM 0 H ILE A 434 3.974 1.843 -11.046 1.00 0.00 H new ATOM 0 HA ILE A 434 1.464 0.782 -10.281 1.00 0.00 H new ATOM 0 HB ILE A 434 1.890 1.896 -12.454 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.108 -1.004 -12.884 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.059 0.167 -12.109 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.109 0.700 -14.231 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.163 1.072 -12.847 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.538 -0.579 -13.071 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.504 -0.082 -14.476 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.089 1.562 -14.145 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.154 0.373 -14.932 1.00 0.00 H new ATOM 283 N ASN A 435 1.615 -1.782 -10.828 1.00 0.00 N ATOM 284 CA ASN A 435 1.767 -3.227 -10.699 1.00 0.00 C ATOM 285 C ASN A 435 2.623 -3.578 -9.486 1.00 0.00 C ATOM 286 O ASN A 435 3.370 -4.558 -9.502 1.00 0.00 O ATOM 287 CB ASN A 435 2.394 -3.810 -11.967 1.00 0.00 C ATOM 288 CG ASN A 435 3.819 -3.335 -12.178 1.00 0.00 C ATOM 289 OD1 ASN A 435 4.678 -3.508 -11.314 1.00 0.00 O ATOM 290 ND2 ASN A 435 4.075 -2.731 -13.333 1.00 0.00 N ATOM 0 H ASN A 435 0.662 -1.473 -11.021 1.00 0.00 H new ATOM 0 HA ASN A 435 0.777 -3.661 -10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 435 2.382 -4.898 -11.908 1.00 0.00 H new ATOM 0 HB3 ASN A 435 1.789 -3.531 -12.830 1.00 0.00 H new ATOM 0 HD21 ASN A 435 5.015 -2.389 -13.532 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.332 -2.609 -14.021 1.00 0.00 H new ATOM 297 N LEU A 436 2.511 -2.773 -8.436 1.00 0.00 N ATOM 298 CA LEU A 436 3.274 -2.998 -7.214 1.00 0.00 C ATOM 299 C LEU A 436 2.385 -3.569 -6.114 1.00 0.00 C ATOM 300 O LEU A 436 1.609 -2.844 -5.491 1.00 0.00 O ATOM 301 CB LEU A 436 3.914 -1.692 -6.741 1.00 0.00 C ATOM 302 CG LEU A 436 4.927 -1.814 -5.602 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.269 -2.297 -6.130 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.083 -0.483 -4.881 1.00 0.00 C ATOM 0 H LEU A 436 1.899 -1.958 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 436 4.059 -3.722 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.409 -1.224 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.120 -1.016 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 436 4.555 -2.549 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.977 -2.378 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.145 -3.273 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.648 -1.587 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.808 -0.589 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.432 0.273 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.122 -0.178 -4.468 1.00 0.00 H new ATOM 316 N GLN A 437 2.505 -4.872 -5.880 1.00 0.00 N ATOM 317 CA GLN A 437 1.712 -5.539 -4.854 1.00 0.00 C ATOM 318 C GLN A 437 2.445 -5.541 -3.516 1.00 0.00 C ATOM 319 O GLN A 437 3.661 -5.365 -3.462 1.00 0.00 O ATOM 320 CB GLN A 437 1.396 -6.975 -5.277 1.00 0.00 C ATOM 321 CG GLN A 437 2.633 -7.825 -5.517 1.00 0.00 C ATOM 322 CD GLN A 437 3.134 -7.738 -6.945 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.556 -7.035 -7.776 1.00 0.00 O ATOM 324 NE2 GLN A 437 4.214 -8.452 -7.239 1.00 0.00 N ATOM 0 H GLN A 437 3.143 -5.486 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 437 0.779 -4.988 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.786 -7.446 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.798 -6.953 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.425 -7.507 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 437 2.407 -8.864 -5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 437 4.661 -9.020 -6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 437 4.597 -8.432 -8.184 1.00 0.00 H new ATOM 333 N GLY A 438 1.695 -5.742 -2.436 1.00 0.00 N ATOM 334 CA GLY A 438 2.290 -5.762 -1.113 1.00 0.00 C ATOM 335 C GLY A 438 1.250 -5.787 -0.010 1.00 0.00 C ATOM 336 O GLY A 438 0.049 -5.748 -0.277 1.00 0.00 O ATOM 0 H GLY A 438 0.686 -5.891 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.934 -6.637 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.925 -4.884 -0.990 1.00 0.00 H new ATOM 340 N LYS A 439 1.711 -5.852 1.234 1.00 0.00 N ATOM 341 CA LYS A 439 0.814 -5.882 2.383 1.00 0.00 C ATOM 342 C LYS A 439 0.697 -4.501 3.019 1.00 0.00 C ATOM 343 O LYS A 439 1.625 -3.695 2.948 1.00 0.00 O ATOM 344 CB LYS A 439 1.312 -6.892 3.419 1.00 0.00 C ATOM 345 CG LYS A 439 0.748 -8.289 3.228 1.00 0.00 C ATOM 346 CD LYS A 439 1.545 -9.077 2.201 1.00 0.00 C ATOM 347 CE LYS A 439 2.689 -9.840 2.850 1.00 0.00 C ATOM 348 NZ LYS A 439 3.381 -10.733 1.880 1.00 0.00 N ATOM 0 H LYS A 439 2.702 -5.885 1.473 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.173 -6.186 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.400 -6.939 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.050 -6.537 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 439 0.756 -8.819 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.292 -8.222 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 439 0.886 -9.776 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.941 -8.397 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 439 3.406 -9.133 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 439 2.305 -10.433 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 4.154 -11.235 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 2.703 -11.424 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 3.770 -10.164 1.101 1.00 0.00 H new ATOM 362 N ILE A 440 -0.447 -4.235 3.640 1.00 0.00 N ATOM 363 CA ILE A 440 -0.682 -2.952 4.290 1.00 0.00 C ATOM 364 C ILE A 440 -0.244 -2.987 5.750 1.00 0.00 C ATOM 365 O ILE A 440 -0.528 -3.943 6.473 1.00 0.00 O ATOM 366 CB ILE A 440 -2.167 -2.550 4.221 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.693 -2.701 2.793 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.353 -1.122 4.712 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.203 -2.740 2.706 1.00 0.00 C ATOM 0 H ILE A 440 -1.225 -4.891 3.707 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.088 -2.213 3.753 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.738 -3.214 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.324 -1.872 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.288 -3.616 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.408 -0.853 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.012 -1.045 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.772 -0.444 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.505 -2.848 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.579 -3.585 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.615 -1.814 3.108 1.00 0.00 H new ATOM 381 N LEU A 441 0.449 -1.938 6.179 1.00 0.00 N ATOM 382 CA LEU A 441 0.926 -1.846 7.555 1.00 0.00 C ATOM 383 C LEU A 441 -0.033 -1.025 8.410 1.00 0.00 C ATOM 384 O LEU A 441 -0.470 -1.469 9.472 1.00 0.00 O ATOM 385 CB LEU A 441 2.322 -1.222 7.591 1.00 0.00 C ATOM 386 CG LEU A 441 3.462 -2.097 7.069 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.703 -1.257 6.806 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.772 -3.214 8.054 1.00 0.00 C ATOM 0 H LEU A 441 0.693 -1.139 5.594 1.00 0.00 H new ATOM 0 HA LEU A 441 0.975 -2.855 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.302 -0.301 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.547 -0.943 8.620 1.00 0.00 H new ATOM 0 HG LEU A 441 3.146 -2.547 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.504 -1.897 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.475 -0.494 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.021 -0.778 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.586 -3.826 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 441 4.067 -2.784 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.886 -3.834 8.192 1.00 0.00 H new ATOM 400 N SER A 442 -0.358 0.175 7.940 1.00 0.00 N ATOM 401 CA SER A 442 -1.264 1.060 8.662 1.00 0.00 C ATOM 402 C SER A 442 -1.981 2.005 7.703 1.00 0.00 C ATOM 403 O SER A 442 -1.548 2.201 6.567 1.00 0.00 O ATOM 404 CB SER A 442 -0.496 1.866 9.711 1.00 0.00 C ATOM 405 OG SER A 442 -0.033 1.031 10.758 1.00 0.00 O ATOM 0 H SER A 442 -0.007 0.557 7.062 1.00 0.00 H new ATOM 0 HA SER A 442 -2.011 0.444 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.350 2.368 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.141 2.644 10.120 1.00 0.00 H new ATOM 0 HG SER A 442 -0.243 0.097 10.549 1.00 0.00 H new ATOM 411 N VAL A 443 -3.082 2.588 8.168 1.00 0.00 N ATOM 412 CA VAL A 443 -3.859 3.513 7.352 1.00 0.00 C ATOM 413 C VAL A 443 -3.834 4.919 7.941 1.00 0.00 C ATOM 414 O VAL A 443 -4.177 5.122 9.106 1.00 0.00 O ATOM 415 CB VAL A 443 -5.323 3.050 7.220 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.152 4.102 6.498 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.395 1.714 6.496 1.00 0.00 C ATOM 0 H VAL A 443 -3.455 2.436 9.105 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.399 3.528 6.364 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.737 2.919 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.183 3.758 6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.126 5.035 7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.742 4.267 5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.436 1.402 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.965 1.816 5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.836 0.965 7.057 1.00 0.00 H new ATOM 427 N ASP A 444 -3.426 5.887 7.128 1.00 0.00 N ATOM 428 CA ASP A 444 -3.357 7.276 7.568 1.00 0.00 C ATOM 429 C ASP A 444 -4.239 8.166 6.697 1.00 0.00 C ATOM 430 O ASP A 444 -3.769 8.775 5.738 1.00 0.00 O ATOM 431 CB ASP A 444 -1.911 7.775 7.528 1.00 0.00 C ATOM 432 CG ASP A 444 -1.170 7.504 8.822 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.680 7.897 9.892 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.079 6.898 8.764 1.00 0.00 O ATOM 0 H ASP A 444 -3.138 5.736 6.161 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.722 7.325 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.386 7.292 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.905 8.846 7.326 1.00 0.00 H new ATOM 439 N GLY A 445 -5.522 8.235 7.040 1.00 0.00 N ATOM 440 CA GLY A 445 -6.450 9.051 6.279 1.00 0.00 C ATOM 441 C GLY A 445 -6.380 8.774 4.791 1.00 0.00 C ATOM 442 O GLY A 445 -6.582 7.642 4.353 1.00 0.00 O ATOM 0 H GLY A 445 -5.935 7.741 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.465 8.867 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.235 10.104 6.460 1.00 0.00 H new ATOM 446 N ASN A 446 -6.096 9.811 4.010 1.00 0.00 N ATOM 447 CA ASN A 446 -6.002 9.674 2.561 1.00 0.00 C ATOM 448 C ASN A 446 -4.759 8.882 2.168 1.00 0.00 C ATOM 449 O ASN A 446 -4.735 8.215 1.133 1.00 0.00 O ATOM 450 CB ASN A 446 -5.973 11.053 1.898 1.00 0.00 C ATOM 451 CG ASN A 446 -4.924 11.964 2.506 1.00 0.00 C ATOM 452 OD1 ASN A 446 -5.172 12.631 3.511 1.00 0.00 O ATOM 453 ND2 ASN A 446 -3.744 11.997 1.897 1.00 0.00 N ATOM 0 H ASN A 446 -5.927 10.755 4.356 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.881 9.130 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -5.776 10.937 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.954 11.519 1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -2.999 12.592 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -3.583 11.427 1.066 1.00 0.00 H new ATOM 460 N LYS A 447 -3.727 8.959 3.002 1.00 0.00 N ATOM 461 CA LYS A 447 -2.480 8.249 2.745 1.00 0.00 C ATOM 462 C LYS A 447 -2.470 6.895 3.447 1.00 0.00 C ATOM 463 O LYS A 447 -2.945 6.768 4.576 1.00 0.00 O ATOM 464 CB LYS A 447 -1.287 9.086 3.211 1.00 0.00 C ATOM 465 CG LYS A 447 -1.439 9.630 4.621 1.00 0.00 C ATOM 466 CD LYS A 447 -0.203 10.396 5.060 1.00 0.00 C ATOM 467 CE LYS A 447 0.883 9.460 5.567 1.00 0.00 C ATOM 468 NZ LYS A 447 2.232 10.088 5.503 1.00 0.00 N ATOM 0 H LYS A 447 -3.730 9.507 3.862 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.401 8.082 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.385 8.476 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -1.147 9.919 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -2.309 10.285 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.622 8.807 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.180 10.980 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.472 11.102 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.664 9.174 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.880 8.545 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.962 9.348 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.325 10.620 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 2.352 10.735 6.308 1.00 0.00 H new ATOM 482 N ILE A 448 -1.926 5.888 2.773 1.00 0.00 N ATOM 483 CA ILE A 448 -1.852 4.545 3.335 1.00 0.00 C ATOM 484 C ILE A 448 -0.414 4.039 3.364 1.00 0.00 C ATOM 485 O ILE A 448 0.186 3.779 2.320 1.00 0.00 O ATOM 486 CB ILE A 448 -2.717 3.553 2.536 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.029 4.215 2.110 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.991 2.305 3.362 1.00 0.00 C ATOM 489 CD1 ILE A 448 -5.001 4.421 3.251 1.00 0.00 C ATOM 0 H ILE A 448 -1.530 5.976 1.837 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.233 4.608 4.354 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.172 3.259 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.808 5.180 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.504 3.601 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.604 1.613 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -2.047 1.825 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.519 2.581 4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.908 4.895 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.252 3.457 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.545 5.060 4.007 1.00 0.00 H new ATOM 501 N THR A 449 0.135 3.901 4.567 1.00 0.00 N ATOM 502 CA THR A 449 1.503 3.425 4.733 1.00 0.00 C ATOM 503 C THR A 449 1.572 1.906 4.634 1.00 0.00 C ATOM 504 O THR A 449 1.019 1.194 5.472 1.00 0.00 O ATOM 505 CB THR A 449 2.091 3.868 6.085 1.00 0.00 C ATOM 506 OG1 THR A 449 1.846 5.263 6.293 1.00 0.00 O ATOM 507 CG2 THR A 449 3.587 3.597 6.139 1.00 0.00 C ATOM 0 H THR A 449 -0.347 4.112 5.441 1.00 0.00 H new ATOM 0 HA THR A 449 2.091 3.865 3.928 1.00 0.00 H new ATOM 0 HB THR A 449 1.605 3.293 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.222 5.536 7.156 1.00 0.00 H new ATOM 0 HG21 THR A 449 3.980 3.918 7.103 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.768 2.530 6.010 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.086 4.148 5.342 1.00 0.00 H new ATOM 515 N ILE A 450 2.256 1.415 3.606 1.00 0.00 N ATOM 516 CA ILE A 450 2.399 -0.021 3.399 1.00 0.00 C ATOM 517 C ILE A 450 3.835 -0.384 3.038 1.00 0.00 C ATOM 518 O ILE A 450 4.721 0.471 3.038 1.00 0.00 O ATOM 519 CB ILE A 450 1.459 -0.527 2.290 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.898 0.020 0.930 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.022 -0.125 2.589 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.470 -0.843 -0.236 1.00 0.00 C ATOM 0 H ILE A 450 2.720 1.991 2.903 1.00 0.00 H new ATOM 0 HA ILE A 450 2.130 -0.503 4.339 1.00 0.00 H new ATOM 0 HB ILE A 450 1.512 -1.615 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.487 1.021 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.984 0.117 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.630 -0.490 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.286 -0.558 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.048 0.961 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.816 -0.394 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.903 -1.838 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.383 -0.920 -0.252 1.00 0.00 H new ATOM 534 N MET A 451 4.058 -1.657 2.728 1.00 0.00 N ATOM 535 CA MET A 451 5.387 -2.133 2.361 1.00 0.00 C ATOM 536 C MET A 451 5.306 -3.153 1.229 1.00 0.00 C ATOM 537 O MET A 451 4.734 -4.233 1.375 1.00 0.00 O ATOM 538 CB MET A 451 6.083 -2.753 3.574 1.00 0.00 C ATOM 539 CG MET A 451 7.351 -3.514 3.223 1.00 0.00 C ATOM 540 SD MET A 451 8.554 -3.515 4.566 1.00 0.00 S ATOM 541 CE MET A 451 9.652 -2.201 4.039 1.00 0.00 C ATOM 0 H MET A 451 3.336 -2.377 2.724 1.00 0.00 H new ATOM 0 HA MET A 451 5.969 -1.279 2.015 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.328 -1.964 4.285 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.390 -3.429 4.074 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.094 -4.543 2.969 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.803 -3.070 2.336 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.637 -2.615 3.822 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.251 -1.729 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.738 -1.458 4.832 1.00 0.00 H new ATOM 551 N PRO A 452 5.891 -2.804 0.074 1.00 0.00 N ATOM 552 CA PRO A 452 5.898 -3.676 -1.104 1.00 0.00 C ATOM 553 C PRO A 452 6.784 -4.902 -0.913 1.00 0.00 C ATOM 554 O PRO A 452 7.620 -4.942 -0.010 1.00 0.00 O ATOM 555 CB PRO A 452 6.461 -2.777 -2.208 1.00 0.00 C ATOM 556 CG PRO A 452 7.280 -1.762 -1.488 1.00 0.00 C ATOM 557 CD PRO A 452 6.591 -1.532 -0.171 1.00 0.00 C ATOM 0 HA PRO A 452 4.907 -4.073 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.067 -3.347 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.662 -2.307 -2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.299 -2.118 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.346 -0.837 -2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.304 -1.307 0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.896 -0.694 -0.222 1.00 0.00 H new ATOM 565 N LYS A 453 6.595 -5.902 -1.767 1.00 0.00 N ATOM 566 CA LYS A 453 7.378 -7.130 -1.694 1.00 0.00 C ATOM 567 C LYS A 453 8.364 -7.217 -2.855 1.00 0.00 C ATOM 568 O LYS A 453 8.072 -7.825 -3.885 1.00 0.00 O ATOM 569 CB LYS A 453 6.454 -8.350 -1.702 1.00 0.00 C ATOM 570 CG LYS A 453 5.697 -8.548 -0.401 1.00 0.00 C ATOM 571 CD LYS A 453 6.620 -9.003 0.718 1.00 0.00 C ATOM 572 CE LYS A 453 6.723 -10.519 0.773 1.00 0.00 C ATOM 573 NZ LYS A 453 7.698 -11.046 -0.222 1.00 0.00 N ATOM 0 H LYS A 453 5.906 -5.886 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 453 7.943 -7.116 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.738 -8.247 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.046 -9.242 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.211 -7.615 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.909 -9.287 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.611 -8.575 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.250 -8.627 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 453 7.024 -10.826 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 453 5.742 -10.956 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 8.122 -11.924 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 7.208 -11.242 -1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 8.445 -10.341 -0.383 1.00 0.00 H new ATOM 587 N HIS A 454 9.532 -6.608 -2.681 1.00 0.00 N ATOM 588 CA HIS A 454 10.561 -6.619 -3.714 1.00 0.00 C ATOM 589 C HIS A 454 11.952 -6.509 -3.097 1.00 0.00 C ATOM 590 O HIS A 454 12.225 -5.596 -2.318 1.00 0.00 O ATOM 591 CB HIS A 454 10.336 -5.472 -4.700 1.00 0.00 C ATOM 592 CG HIS A 454 11.000 -5.684 -6.026 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.348 -5.943 -6.160 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.494 -5.675 -7.281 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.642 -6.083 -7.441 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.534 -5.925 -8.142 1.00 0.00 N ATOM 0 H HIS A 454 9.790 -6.101 -1.834 1.00 0.00 H new ATOM 0 HA HIS A 454 10.494 -7.567 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.265 -5.342 -4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.709 -4.547 -4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.463 -5.503 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.622 -6.291 -7.846 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.462 -5.980 -9.158 1.00 0.00 H new ATOM 604 N GLU A 455 12.827 -7.446 -3.449 1.00 0.00 N ATOM 605 CA GLU A 455 14.189 -7.453 -2.927 1.00 0.00 C ATOM 606 C GLU A 455 14.808 -6.060 -3.002 1.00 0.00 C ATOM 607 O GLU A 455 15.374 -5.568 -2.026 1.00 0.00 O ATOM 608 CB GLU A 455 15.051 -8.449 -3.706 1.00 0.00 C ATOM 609 CG GLU A 455 14.634 -9.897 -3.512 1.00 0.00 C ATOM 610 CD GLU A 455 15.000 -10.773 -4.695 1.00 0.00 C ATOM 611 OE1 GLU A 455 15.137 -10.233 -5.812 1.00 0.00 O ATOM 612 OE2 GLU A 455 15.149 -11.998 -4.503 1.00 0.00 O ATOM 0 H GLU A 455 12.618 -8.209 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 455 14.149 -7.757 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 455 15.004 -8.205 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 455 16.091 -8.335 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 455 15.108 -10.290 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 455 13.557 -9.943 -3.350 1.00 0.00 H new ATOM 619 N ASP A 456 14.696 -5.432 -4.167 1.00 0.00 N ATOM 620 CA ASP A 456 15.244 -4.095 -4.370 1.00 0.00 C ATOM 621 C ASP A 456 14.909 -3.186 -3.192 1.00 0.00 C ATOM 622 O ASP A 456 15.791 -2.786 -2.431 1.00 0.00 O ATOM 623 CB ASP A 456 14.704 -3.491 -5.667 1.00 0.00 C ATOM 624 CG ASP A 456 15.428 -2.218 -6.058 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.677 -2.216 -6.038 1.00 0.00 O ATOM 626 OD2 ASP A 456 14.746 -1.223 -6.383 1.00 0.00 O ATOM 0 H ASP A 456 14.231 -5.826 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 456 16.328 -4.180 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 456 14.798 -4.221 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.641 -3.280 -5.551 1.00 0.00 H new ATOM 631 N LEU A 457 13.629 -2.862 -3.047 1.00 0.00 N ATOM 632 CA LEU A 457 13.176 -1.998 -1.962 1.00 0.00 C ATOM 633 C LEU A 457 13.487 -2.620 -0.605 1.00 0.00 C ATOM 634 O LEU A 457 13.380 -3.834 -0.426 1.00 0.00 O ATOM 635 CB LEU A 457 11.673 -1.738 -2.084 1.00 0.00 C ATOM 636 CG LEU A 457 11.254 -0.708 -3.133 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.857 -1.013 -3.652 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.314 0.698 -2.554 1.00 0.00 C ATOM 0 H LEU A 457 12.886 -3.184 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 457 13.710 -1.051 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.179 -2.682 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.301 -1.410 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 457 11.951 -0.765 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.576 -0.270 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.846 -2.004 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.147 -0.984 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.012 1.418 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.640 0.769 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.332 0.916 -2.232 1.00 0.00 H new ATOM 650 N LYS A 458 13.871 -1.781 0.351 1.00 0.00 N ATOM 651 CA LYS A 458 14.195 -2.247 1.694 1.00 0.00 C ATOM 652 C LYS A 458 13.323 -1.552 2.736 1.00 0.00 C ATOM 653 O LYS A 458 13.001 -2.129 3.774 1.00 0.00 O ATOM 654 CB LYS A 458 15.673 -1.995 2.001 1.00 0.00 C ATOM 655 CG LYS A 458 16.584 -3.134 1.577 1.00 0.00 C ATOM 656 CD LYS A 458 18.013 -2.658 1.371 1.00 0.00 C ATOM 657 CE LYS A 458 18.196 -2.020 0.002 1.00 0.00 C ATOM 658 NZ LYS A 458 19.634 -1.847 -0.341 1.00 0.00 N ATOM 0 H LYS A 458 13.965 -0.774 0.220 1.00 0.00 H new ATOM 0 HA LYS A 458 13.999 -3.318 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.989 -1.081 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.790 -1.827 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.566 -3.917 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.210 -3.576 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 458 18.273 -1.938 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 458 18.697 -3.500 1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.714 -2.639 -0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 458 17.699 -1.050 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.717 -1.409 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 20.089 -1.235 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 20.103 -2.775 -0.349 1.00 0.00 H new ATOM 672 N ASP A 459 12.944 -0.311 2.450 1.00 0.00 N ATOM 673 CA ASP A 459 12.107 0.461 3.361 1.00 0.00 C ATOM 674 C ASP A 459 10.662 0.496 2.874 1.00 0.00 C ATOM 675 O ASP A 459 10.384 0.229 1.705 1.00 0.00 O ATOM 676 CB ASP A 459 12.646 1.886 3.498 1.00 0.00 C ATOM 677 CG ASP A 459 14.026 1.925 4.125 1.00 0.00 C ATOM 678 OD1 ASP A 459 14.290 1.107 5.031 1.00 0.00 O ATOM 679 OD2 ASP A 459 14.843 2.772 3.708 1.00 0.00 O ATOM 0 H ASP A 459 13.203 0.181 1.595 1.00 0.00 H new ATOM 0 HA ASP A 459 12.131 -0.024 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.684 2.353 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 459 11.958 2.475 4.104 1.00 0.00 H new ATOM 684 N MET A 460 9.746 0.825 3.779 1.00 0.00 N ATOM 685 CA MET A 460 8.329 0.894 3.441 1.00 0.00 C ATOM 686 C MET A 460 7.995 2.220 2.764 1.00 0.00 C ATOM 687 O MET A 460 8.782 3.167 2.810 1.00 0.00 O ATOM 688 CB MET A 460 7.474 0.721 4.697 1.00 0.00 C ATOM 689 CG MET A 460 7.568 1.891 5.663 1.00 0.00 C ATOM 690 SD MET A 460 8.918 1.711 6.844 1.00 0.00 S ATOM 691 CE MET A 460 8.255 0.448 7.927 1.00 0.00 C ATOM 0 H MET A 460 9.959 1.048 4.751 1.00 0.00 H new ATOM 0 HA MET A 460 8.108 0.085 2.745 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.433 0.587 4.402 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.780 -0.190 5.212 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.705 2.813 5.098 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.627 1.986 6.205 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.805 0.450 8.868 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.202 0.652 8.122 1.00 0.00 H new ATOM 0 HE3 MET A 460 8.353 -0.528 7.451 1.00 0.00 H new ATOM 701 N LEU A 461 6.826 2.281 2.136 1.00 0.00 N ATOM 702 CA LEU A 461 6.389 3.491 1.449 1.00 0.00 C ATOM 703 C LEU A 461 4.951 3.840 1.822 1.00 0.00 C ATOM 704 O LEU A 461 4.315 3.134 2.604 1.00 0.00 O ATOM 705 CB LEU A 461 6.506 3.312 -0.065 1.00 0.00 C ATOM 706 CG LEU A 461 7.865 2.838 -0.582 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.018 1.338 -0.381 1.00 0.00 C ATOM 708 CD2 LEU A 461 8.033 3.201 -2.050 1.00 0.00 C ATOM 0 H LEU A 461 6.164 1.507 2.088 1.00 0.00 H new ATOM 0 HA LEU A 461 7.035 4.311 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.748 2.597 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.270 4.263 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 461 8.646 3.342 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 461 8.991 1.018 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 461 7.942 1.104 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.231 0.816 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 461 9.006 2.856 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.246 2.725 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.968 4.283 -2.167 1.00 0.00 H new ATOM 720 N GLU A 462 4.446 4.931 1.256 1.00 0.00 N ATOM 721 CA GLU A 462 3.083 5.372 1.528 1.00 0.00 C ATOM 722 C GLU A 462 2.394 5.832 0.247 1.00 0.00 C ATOM 723 O GLU A 462 2.936 6.639 -0.508 1.00 0.00 O ATOM 724 CB GLU A 462 3.086 6.506 2.554 1.00 0.00 C ATOM 725 CG GLU A 462 3.868 6.184 3.816 1.00 0.00 C ATOM 726 CD GLU A 462 4.334 7.428 4.548 1.00 0.00 C ATOM 727 OE1 GLU A 462 5.215 8.135 4.015 1.00 0.00 O ATOM 728 OE2 GLU A 462 3.817 7.694 5.653 1.00 0.00 O ATOM 0 H GLU A 462 4.960 5.526 0.606 1.00 0.00 H new ATOM 0 HA GLU A 462 2.529 4.526 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.508 7.400 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.057 6.742 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.245 5.587 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.733 5.574 3.557 1.00 0.00 H new ATOM 735 N PHE A 463 1.195 5.312 0.007 1.00 0.00 N ATOM 736 CA PHE A 463 0.431 5.667 -1.183 1.00 0.00 C ATOM 737 C PHE A 463 -1.036 5.906 -0.837 1.00 0.00 C ATOM 738 O PHE A 463 -1.600 5.274 0.057 1.00 0.00 O ATOM 739 CB PHE A 463 0.545 4.563 -2.236 1.00 0.00 C ATOM 740 CG PHE A 463 1.885 3.886 -2.253 1.00 0.00 C ATOM 741 CD1 PHE A 463 3.035 4.604 -2.541 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.996 2.532 -1.981 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.271 3.984 -2.556 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.229 1.907 -1.995 1.00 0.00 C ATOM 745 CZ PHE A 463 4.367 2.634 -2.284 1.00 0.00 C ATOM 0 H PHE A 463 0.731 4.643 0.621 1.00 0.00 H new ATOM 0 HA PHE A 463 0.845 6.590 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.228 3.816 -2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.350 4.989 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.965 5.660 -2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.109 1.958 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.160 4.555 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.302 0.851 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.331 2.147 -2.297 1.00 0.00 H new ATOM 755 N PRO A 464 -1.670 6.840 -1.561 1.00 0.00 N ATOM 756 CA PRO A 464 -3.079 7.185 -1.349 1.00 0.00 C ATOM 757 C PRO A 464 -4.021 6.067 -1.785 1.00 0.00 C ATOM 758 O PRO A 464 -3.620 5.149 -2.499 1.00 0.00 O ATOM 759 CB PRO A 464 -3.277 8.424 -2.226 1.00 0.00 C ATOM 760 CG PRO A 464 -2.239 8.306 -3.288 1.00 0.00 C ATOM 761 CD PRO A 464 -1.060 7.632 -2.642 1.00 0.00 C ATOM 0 HA PRO A 464 -3.304 7.352 -0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.279 8.450 -2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.152 9.341 -1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.608 7.722 -4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.964 9.287 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.522 7.000 -3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.345 8.358 -2.254 1.00 0.00 H new ATOM 769 N ALA A 465 -5.274 6.153 -1.352 1.00 0.00 N ATOM 770 CA ALA A 465 -6.273 5.151 -1.700 1.00 0.00 C ATOM 771 C ALA A 465 -6.443 5.047 -3.212 1.00 0.00 C ATOM 772 O ALA A 465 -6.768 3.982 -3.737 1.00 0.00 O ATOM 773 CB ALA A 465 -7.604 5.480 -1.039 1.00 0.00 C ATOM 0 H ALA A 465 -5.622 6.907 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.926 4.185 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.341 4.723 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.479 5.496 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.947 6.457 -1.379 1.00 0.00 H new ATOM 779 N GLN A 466 -6.221 6.159 -3.905 1.00 0.00 N ATOM 780 CA GLN A 466 -6.350 6.191 -5.357 1.00 0.00 C ATOM 781 C GLN A 466 -5.229 5.400 -6.022 1.00 0.00 C ATOM 782 O GLN A 466 -5.453 4.701 -7.010 1.00 0.00 O ATOM 783 CB GLN A 466 -6.337 7.636 -5.859 1.00 0.00 C ATOM 784 CG GLN A 466 -4.940 8.215 -6.011 1.00 0.00 C ATOM 785 CD GLN A 466 -4.936 9.731 -6.037 1.00 0.00 C ATOM 786 OE1 GLN A 466 -5.624 10.379 -5.248 1.00 0.00 O ATOM 787 NE2 GLN A 466 -4.157 10.305 -6.946 1.00 0.00 N ATOM 0 H GLN A 466 -5.951 7.049 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.301 5.729 -5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -6.847 7.682 -6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -6.905 8.257 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -4.315 7.868 -5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.493 7.838 -6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -3.603 9.729 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -4.112 11.322 -7.010 1.00 0.00 H new ATOM 796 N GLU A 467 -4.024 5.515 -5.474 1.00 0.00 N ATOM 797 CA GLU A 467 -2.868 4.810 -6.015 1.00 0.00 C ATOM 798 C GLU A 467 -2.758 3.408 -5.422 1.00 0.00 C ATOM 799 O GLU A 467 -1.731 2.743 -5.558 1.00 0.00 O ATOM 800 CB GLU A 467 -1.586 5.596 -5.735 1.00 0.00 C ATOM 801 CG GLU A 467 -1.341 6.731 -6.716 1.00 0.00 C ATOM 802 CD GLU A 467 -0.217 7.649 -6.276 1.00 0.00 C ATOM 803 OE1 GLU A 467 0.785 7.140 -5.733 1.00 0.00 O ATOM 804 OE2 GLU A 467 -0.341 8.876 -6.475 1.00 0.00 O ATOM 0 H GLU A 467 -3.823 6.090 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.002 4.720 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.633 6.004 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -0.737 4.913 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.103 6.315 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -2.256 7.312 -6.830 1.00 0.00 H new ATOM 811 N LEU A 468 -3.824 2.966 -4.763 1.00 0.00 N ATOM 812 CA LEU A 468 -3.849 1.644 -4.147 1.00 0.00 C ATOM 813 C LEU A 468 -5.212 0.985 -4.327 1.00 0.00 C ATOM 814 O LEU A 468 -6.241 1.553 -3.960 1.00 0.00 O ATOM 815 CB LEU A 468 -3.511 1.746 -2.659 1.00 0.00 C ATOM 816 CG LEU A 468 -2.023 1.763 -2.308 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.813 2.302 -0.901 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.427 0.370 -2.442 1.00 0.00 C ATOM 0 H LEU A 468 -4.682 3.504 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.099 1.026 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.967 2.654 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.976 0.906 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.512 2.423 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.748 2.307 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.203 3.318 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.338 1.668 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.367 0.402 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.942 -0.313 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.544 0.021 -3.468 1.00 0.00 H new ATOM 830 N ARG A 469 -5.213 -0.218 -4.893 1.00 0.00 N ATOM 831 CA ARG A 469 -6.450 -0.955 -5.120 1.00 0.00 C ATOM 832 C ARG A 469 -6.261 -2.440 -4.824 1.00 0.00 C ATOM 833 O ARG A 469 -5.261 -3.040 -5.219 1.00 0.00 O ATOM 834 CB ARG A 469 -6.922 -0.768 -6.563 1.00 0.00 C ATOM 835 CG ARG A 469 -7.316 0.663 -6.895 1.00 0.00 C ATOM 836 CD ARG A 469 -8.561 1.088 -6.133 1.00 0.00 C ATOM 837 NE ARG A 469 -9.060 2.386 -6.580 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.241 2.881 -6.228 1.00 0.00 C ATOM 839 NH1 ARG A 469 -11.041 2.190 -5.428 1.00 0.00 N ATOM 840 NH2 ARG A 469 -10.624 4.069 -6.677 1.00 0.00 N ATOM 0 H ARG A 469 -4.371 -0.703 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.208 -0.561 -4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.128 -1.084 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.775 -1.422 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.492 1.334 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.495 0.753 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.340 0.336 -6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.336 1.134 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 469 -8.469 2.943 -7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.750 1.276 -5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -11.948 2.572 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.011 4.603 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -11.531 4.448 -6.406 1.00 0.00 H new