USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 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 NoAdj-H: A 465 HIS HE2 : A 465 HIS NE2 : A 502 ZNZN :(H bumps) USER MOD NoAdj-H: A 473 HIS HD1 : A 473 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 481 LYS NZ :NH3+ -177:sc= 0.37 (180deg=-0.269) USER MOD Set 1.2: A 485 SER OG : rot 160:sc= 0.509 USER MOD Single : A 429 TYR OH : rot 30:sc= 0 USER MOD Single : A 433 SER OG : rot -82:sc= 2.12 USER MOD Single : A 436 HIS : no HD1:sc= 0.473 K(o=0.47,f=-5.2!) USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 64:sc= 0.799 USER MOD Single : A 441 GLN : amide:sc= -0.327 K(o=-0.33,f=-4.9!) USER MOD Single : A 450 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.4) USER MOD Single : A 454 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.181) USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 462 HIS : no HD1:sc= -0.0948 K(o=-0.095,f=-0.81) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 MET CE :methyl 151:sc= 0 (180deg=-0.151) USER MOD Single : A 472 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-2.5!) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl 170:sc= -0.0618 (180deg=-0.267) USER MOD Single : A 479 ASN : amide:sc= 0.0969 K(o=0.097,f=-3.4!) USER MOD Single : A 480 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 482 ASN : amide:sc= 0.149 K(o=0.15,f=-4.3!) USER MOD Single : A 486 SER OG : rot 79:sc= 0.783 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 24.484 -7.865 1.207 1.00 0.00 N ATOM 2 CA ILE A 426 23.779 -9.028 1.784 1.00 0.00 C ATOM 3 C ILE A 426 22.337 -9.078 1.283 1.00 0.00 C ATOM 4 O ILE A 426 21.731 -8.042 1.019 1.00 0.00 O ATOM 5 CB ILE A 426 23.869 -9.011 3.315 1.00 0.00 C ATOM 6 CG1 ILE A 426 23.374 -10.339 3.901 1.00 0.00 C ATOM 7 CG2 ILE A 426 23.080 -7.836 3.899 1.00 0.00 C ATOM 8 CD1 ILE A 426 23.607 -10.424 5.408 1.00 0.00 C ATOM 0 HA ILE A 426 24.267 -9.943 1.450 1.00 0.00 H new ATOM 0 HB ILE A 426 24.916 -8.883 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 426 22.310 -10.453 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 426 23.886 -11.166 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 426 23.161 -7.848 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 426 23.485 -6.899 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 426 22.032 -7.923 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 426 23.241 -11.381 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 426 24.673 -10.338 5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 426 23.073 -9.614 5.905 1.00 0.00 H new ATOM 22 N ASP A 427 21.784 -10.288 1.147 1.00 0.00 N ATOM 23 CA ASP A 427 20.423 -10.488 0.682 1.00 0.00 C ATOM 24 C ASP A 427 19.418 -10.277 1.820 1.00 0.00 C ATOM 25 O ASP A 427 19.754 -10.498 2.984 1.00 0.00 O ATOM 26 CB ASP A 427 20.295 -11.881 0.060 1.00 0.00 C ATOM 27 CG ASP A 427 20.664 -12.989 1.053 1.00 0.00 C ATOM 28 OD1 ASP A 427 21.873 -13.127 1.347 1.00 0.00 O ATOM 29 OD2 ASP A 427 19.732 -13.687 1.504 1.00 0.00 O ATOM 0 H ASP A 427 22.277 -11.155 1.360 1.00 0.00 H new ATOM 0 HA ASP A 427 20.192 -9.748 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 427 19.273 -12.031 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 427 20.941 -11.948 -0.815 1.00 0.00 H new ATOM 34 N PRO A 428 18.191 -9.848 1.495 1.00 0.00 N ATOM 35 CA PRO A 428 17.137 -9.588 2.464 1.00 0.00 C ATOM 36 C PRO A 428 16.569 -10.888 3.040 1.00 0.00 C ATOM 37 O PRO A 428 16.831 -11.977 2.526 1.00 0.00 O ATOM 38 CB PRO A 428 16.072 -8.818 1.687 1.00 0.00 C ATOM 39 CG PRO A 428 16.219 -9.374 0.272 1.00 0.00 C ATOM 40 CD PRO A 428 17.727 -9.573 0.145 1.00 0.00 C ATOM 0 HA PRO A 428 17.507 -9.026 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 428 15.074 -8.992 2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 428 16.246 -7.742 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 428 15.675 -10.310 0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 428 15.837 -8.680 -0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 428 17.960 -10.399 -0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 428 18.208 -8.684 -0.263 1.00 0.00 H new ATOM 48 N TYR A 429 15.780 -10.763 4.110 1.00 0.00 N ATOM 49 CA TYR A 429 15.161 -11.894 4.792 1.00 0.00 C ATOM 50 C TYR A 429 13.689 -11.605 5.067 1.00 0.00 C ATOM 51 O TYR A 429 13.260 -10.450 5.036 1.00 0.00 O ATOM 52 CB TYR A 429 15.905 -12.174 6.098 1.00 0.00 C ATOM 53 CG TYR A 429 17.365 -12.531 5.918 1.00 0.00 C ATOM 54 CD1 TYR A 429 17.716 -13.819 5.488 1.00 0.00 C ATOM 55 CD2 TYR A 429 18.361 -11.578 6.182 1.00 0.00 C ATOM 56 CE1 TYR A 429 19.069 -14.158 5.316 1.00 0.00 C ATOM 57 CE2 TYR A 429 19.714 -11.910 6.015 1.00 0.00 C ATOM 58 CZ TYR A 429 20.075 -13.202 5.582 1.00 0.00 C ATOM 59 OH TYR A 429 21.390 -13.533 5.419 1.00 0.00 O ATOM 0 H TYR A 429 15.553 -9.861 4.529 1.00 0.00 H new ATOM 0 HA TYR A 429 15.222 -12.775 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 429 15.834 -11.295 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 429 15.405 -12.990 6.620 1.00 0.00 H new ATOM 0 HD1 TYR A 429 16.947 -14.550 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 429 18.086 -10.588 6.514 1.00 0.00 H new ATOM 0 HE1 TYR A 429 19.340 -15.148 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 429 20.479 -11.175 6.218 1.00 0.00 H new ATOM 0 HH TYR A 429 21.472 -14.207 4.713 1.00 0.00 H new ATOM 69 N LEU A 430 12.907 -12.653 5.342 1.00 0.00 N ATOM 70 CA LEU A 430 11.478 -12.512 5.593 1.00 0.00 C ATOM 71 C LEU A 430 11.224 -11.781 6.916 1.00 0.00 C ATOM 72 O LEU A 430 10.100 -11.375 7.195 1.00 0.00 O ATOM 73 CB LEU A 430 10.849 -13.912 5.580 1.00 0.00 C ATOM 74 CG LEU A 430 9.322 -13.906 5.720 1.00 0.00 C ATOM 75 CD1 LEU A 430 8.668 -13.060 4.624 1.00 0.00 C ATOM 76 CD2 LEU A 430 8.802 -15.336 5.614 1.00 0.00 C ATOM 0 H LEU A 430 13.247 -13.613 5.396 1.00 0.00 H new ATOM 0 HA LEU A 430 11.016 -11.905 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 430 11.117 -14.412 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 430 11.277 -14.500 6.392 1.00 0.00 H new ATOM 0 HG LEU A 430 9.070 -13.476 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 430 7.585 -13.075 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 430 9.027 -12.033 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 430 8.925 -13.469 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 430 7.717 -15.337 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 430 9.078 -15.753 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 430 9.239 -15.942 6.408 1.00 0.00 H new ATOM 88 N GLU A 431 12.265 -11.609 7.732 1.00 0.00 N ATOM 89 CA GLU A 431 12.162 -10.909 9.008 1.00 0.00 C ATOM 90 C GLU A 431 12.358 -9.397 8.835 1.00 0.00 C ATOM 91 O GLU A 431 12.301 -8.654 9.812 1.00 0.00 O ATOM 92 CB GLU A 431 13.178 -11.486 10.003 1.00 0.00 C ATOM 93 CG GLU A 431 12.902 -12.968 10.260 1.00 0.00 C ATOM 94 CD GLU A 431 13.864 -13.531 11.304 1.00 0.00 C ATOM 95 OE1 GLU A 431 14.963 -13.973 10.899 1.00 0.00 O ATOM 96 OE2 GLU A 431 13.490 -13.513 12.499 1.00 0.00 O ATOM 0 H GLU A 431 13.203 -11.952 7.524 1.00 0.00 H new ATOM 0 HA GLU A 431 11.158 -11.060 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 431 14.188 -11.362 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 431 13.129 -10.934 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 431 11.875 -13.096 10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 431 13.002 -13.527 9.330 1.00 0.00 H new ATOM 103 N ASP A 432 12.589 -8.940 7.600 1.00 0.00 N ATOM 104 CA ASP A 432 12.802 -7.527 7.310 1.00 0.00 C ATOM 105 C ASP A 432 12.058 -7.093 6.043 1.00 0.00 C ATOM 106 O ASP A 432 11.947 -5.898 5.771 1.00 0.00 O ATOM 107 CB ASP A 432 14.308 -7.277 7.183 1.00 0.00 C ATOM 108 CG ASP A 432 14.631 -5.794 7.006 1.00 0.00 C ATOM 109 OD1 ASP A 432 14.323 -5.016 7.938 1.00 0.00 O ATOM 110 OD2 ASP A 432 15.180 -5.448 5.935 1.00 0.00 O ATOM 0 H ASP A 432 12.633 -9.542 6.778 1.00 0.00 H new ATOM 0 HA ASP A 432 12.399 -6.927 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 432 14.814 -7.654 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 432 14.698 -7.837 6.333 1.00 0.00 H new ATOM 115 N SER A 433 11.549 -8.053 5.266 1.00 0.00 N ATOM 116 CA SER A 433 10.820 -7.778 4.030 1.00 0.00 C ATOM 117 C SER A 433 9.337 -8.128 4.158 1.00 0.00 C ATOM 118 O SER A 433 8.619 -8.159 3.158 1.00 0.00 O ATOM 119 CB SER A 433 11.475 -8.507 2.864 1.00 0.00 C ATOM 120 OG SER A 433 11.434 -9.900 3.086 1.00 0.00 O ATOM 0 H SER A 433 11.633 -9.047 5.480 1.00 0.00 H new ATOM 0 HA SER A 433 10.869 -6.707 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.960 -8.262 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 433 12.508 -8.178 2.752 1.00 0.00 H new ATOM 0 HG SER A 433 12.174 -10.160 3.674 1.00 0.00 H new ATOM 126 N LEU A 434 8.880 -8.391 5.389 1.00 0.00 N ATOM 127 CA LEU A 434 7.489 -8.619 5.719 1.00 0.00 C ATOM 128 C LEU A 434 6.715 -7.313 5.528 1.00 0.00 C ATOM 129 O LEU A 434 7.335 -6.269 5.313 1.00 0.00 O ATOM 130 CB LEU A 434 7.462 -9.059 7.189 1.00 0.00 C ATOM 131 CG LEU A 434 6.217 -9.847 7.583 1.00 0.00 C ATOM 132 CD1 LEU A 434 6.095 -11.177 6.841 1.00 0.00 C ATOM 133 CD2 LEU A 434 6.316 -10.154 9.076 1.00 0.00 C ATOM 0 H LEU A 434 9.496 -8.450 6.200 1.00 0.00 H new ATOM 0 HA LEU A 434 7.031 -9.378 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 434 8.343 -9.669 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 434 7.534 -8.175 7.823 1.00 0.00 H new ATOM 0 HG LEU A 434 5.346 -9.244 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 434 5.190 -11.692 7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 434 6.044 -10.992 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.964 -11.798 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 434 5.438 -10.718 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 434 7.213 -10.742 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 434 6.367 -9.221 9.637 1.00 0.00 H new ATOM 145 N CYS A 435 5.382 -7.338 5.607 1.00 0.00 N ATOM 146 CA CYS A 435 4.634 -6.093 5.624 1.00 0.00 C ATOM 147 C CYS A 435 5.140 -5.242 6.781 1.00 0.00 C ATOM 148 O CYS A 435 5.371 -5.752 7.876 1.00 0.00 O ATOM 149 CB CYS A 435 3.144 -6.356 5.813 1.00 0.00 C ATOM 150 SG CYS A 435 2.415 -7.090 4.330 1.00 0.00 S ATOM 0 H CYS A 435 4.817 -8.186 5.659 1.00 0.00 H new ATOM 0 HA CYS A 435 4.776 -5.580 4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 435 2.995 -7.022 6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 435 2.634 -5.422 6.047 1.00 0.00 H new ATOM 155 N HIS A 436 5.314 -3.939 6.546 1.00 0.00 N ATOM 156 CA HIS A 436 5.831 -3.042 7.564 1.00 0.00 C ATOM 157 C HIS A 436 4.718 -2.360 8.358 1.00 0.00 C ATOM 158 O HIS A 436 5.004 -1.541 9.229 1.00 0.00 O ATOM 159 CB HIS A 436 6.789 -2.038 6.926 1.00 0.00 C ATOM 160 CG HIS A 436 8.000 -2.688 6.309 1.00 0.00 C ATOM 161 ND1 HIS A 436 8.520 -2.391 5.046 1.00 0.00 N ATOM 162 CD2 HIS A 436 8.765 -3.659 6.892 1.00 0.00 C ATOM 163 CE1 HIS A 436 9.587 -3.189 4.903 1.00 0.00 C ATOM 164 NE2 HIS A 436 9.759 -3.960 5.990 1.00 0.00 N ATOM 0 H HIS A 436 5.102 -3.488 5.656 1.00 0.00 H new ATOM 0 HA HIS A 436 6.387 -3.633 8.292 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.257 -1.473 6.160 1.00 0.00 H new ATOM 0 HB3 HIS A 436 7.113 -1.323 7.682 1.00 0.00 H new ATOM 0 HD2 HIS A 436 8.618 -4.102 7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 436 10.224 -3.210 4.031 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.499 -4.649 6.123 1.00 0.00 H new ATOM 172 N ILE A 437 3.453 -2.690 8.061 1.00 0.00 N ATOM 173 CA ILE A 437 2.312 -2.111 8.764 1.00 0.00 C ATOM 174 C ILE A 437 1.476 -3.194 9.439 1.00 0.00 C ATOM 175 O ILE A 437 0.943 -2.961 10.525 1.00 0.00 O ATOM 176 CB ILE A 437 1.421 -1.339 7.784 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.194 -0.436 6.816 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.405 -0.513 8.575 1.00 0.00 C ATOM 179 CD1 ILE A 437 2.926 0.709 7.516 1.00 0.00 C ATOM 0 H ILE A 437 3.199 -3.359 7.334 1.00 0.00 H new ATOM 0 HA ILE A 437 2.702 -1.435 9.525 1.00 0.00 H new ATOM 0 HB ILE A 437 0.921 -2.081 7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 437 2.917 -1.038 6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.501 -0.022 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 437 -0.232 0.039 7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 437 -0.209 -1.177 9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 437 0.931 0.189 9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 437 3.453 1.310 6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.205 1.333 8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 437 3.643 0.301 8.229 1.00 0.00 H new ATOM 191 N CYS A 438 1.359 -4.367 8.806 1.00 0.00 N ATOM 192 CA CYS A 438 0.524 -5.447 9.308 1.00 0.00 C ATOM 193 C CYS A 438 1.342 -6.678 9.702 1.00 0.00 C ATOM 194 O CYS A 438 0.888 -7.464 10.532 1.00 0.00 O ATOM 195 CB CYS A 438 -0.528 -5.788 8.247 1.00 0.00 C ATOM 196 SG CYS A 438 0.241 -6.421 6.733 1.00 0.00 S ATOM 0 H CYS A 438 1.842 -4.587 7.935 1.00 0.00 H new ATOM 0 HA CYS A 438 0.030 -5.114 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -1.220 -6.531 8.644 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.114 -4.899 8.015 1.00 0.00 H new ATOM 201 N SER A 439 2.535 -6.843 9.116 1.00 0.00 N ATOM 202 CA SER A 439 3.432 -7.974 9.352 1.00 0.00 C ATOM 203 C SER A 439 2.697 -9.313 9.472 1.00 0.00 C ATOM 204 O SER A 439 3.116 -10.190 10.227 1.00 0.00 O ATOM 205 CB SER A 439 4.391 -7.704 10.515 1.00 0.00 C ATOM 206 OG SER A 439 3.708 -7.200 11.645 1.00 0.00 O ATOM 0 H SER A 439 2.910 -6.172 8.446 1.00 0.00 H new ATOM 0 HA SER A 439 4.048 -8.074 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 439 4.908 -8.625 10.783 1.00 0.00 H new ATOM 0 HB3 SER A 439 5.153 -6.990 10.201 1.00 0.00 H new ATOM 0 HG SER A 439 4.348 -7.040 12.370 1.00 0.00 H new ATOM 212 N SER A 440 1.599 -9.479 8.728 1.00 0.00 N ATOM 213 CA SER A 440 0.809 -10.698 8.747 1.00 0.00 C ATOM 214 C SER A 440 0.825 -11.404 7.394 1.00 0.00 C ATOM 215 O SER A 440 0.257 -12.487 7.259 1.00 0.00 O ATOM 216 CB SER A 440 -0.622 -10.348 9.143 1.00 0.00 C ATOM 217 OG SER A 440 -0.658 -9.900 10.481 1.00 0.00 O ATOM 0 H SER A 440 1.238 -8.765 8.096 1.00 0.00 H new ATOM 0 HA SER A 440 1.244 -11.385 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 440 -1.012 -9.574 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 440 -1.264 -11.221 9.026 1.00 0.00 H new ATOM 0 HG SER A 440 -0.144 -9.069 10.562 1.00 0.00 H new ATOM 223 N GLN A 441 1.473 -10.795 6.398 1.00 0.00 N ATOM 224 CA GLN A 441 1.630 -11.373 5.074 1.00 0.00 C ATOM 225 C GLN A 441 3.071 -11.199 4.611 1.00 0.00 C ATOM 226 O GLN A 441 3.773 -10.319 5.110 1.00 0.00 O ATOM 227 CB GLN A 441 0.671 -10.695 4.095 1.00 0.00 C ATOM 228 CG GLN A 441 -0.797 -11.023 4.388 1.00 0.00 C ATOM 229 CD GLN A 441 -1.153 -12.481 4.094 1.00 0.00 C ATOM 230 OE1 GLN A 441 -0.353 -13.241 3.559 1.00 0.00 O ATOM 231 NE2 GLN A 441 -2.370 -12.880 4.444 1.00 0.00 N ATOM 0 H GLN A 441 1.906 -9.877 6.496 1.00 0.00 H new ATOM 0 HA GLN A 441 1.396 -12.437 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 441 0.815 -9.615 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 441 0.914 -11.007 3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -1.010 -10.807 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -1.435 -10.371 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -3.014 -12.225 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -2.661 -13.842 4.269 1.00 0.00 H new ATOM 240 N PRO A 442 3.523 -12.027 3.660 1.00 0.00 N ATOM 241 CA PRO A 442 4.886 -12.037 3.149 1.00 0.00 C ATOM 242 C PRO A 442 5.320 -10.736 2.474 1.00 0.00 C ATOM 243 O PRO A 442 6.466 -10.641 2.043 1.00 0.00 O ATOM 244 CB PRO A 442 4.925 -13.180 2.134 1.00 0.00 C ATOM 245 CG PRO A 442 3.763 -14.085 2.536 1.00 0.00 C ATOM 246 CD PRO A 442 2.736 -13.078 3.040 1.00 0.00 C ATOM 0 HA PRO A 442 5.578 -12.159 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 442 4.807 -12.811 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 442 5.875 -13.713 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 442 3.387 -14.664 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 442 4.050 -14.797 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 442 2.129 -12.688 2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 442 2.052 -13.535 3.755 1.00 0.00 H new ATOM 254 N GLY A 443 4.437 -9.740 2.366 1.00 0.00 N ATOM 255 CA GLY A 443 4.731 -8.521 1.628 1.00 0.00 C ATOM 256 C GLY A 443 4.873 -8.834 0.139 1.00 0.00 C ATOM 257 O GLY A 443 5.936 -8.591 -0.436 1.00 0.00 O ATOM 0 H GLY A 443 3.508 -9.760 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.935 -7.792 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.651 -8.072 2.003 1.00 0.00 H new ATOM 261 N PRO A 444 3.817 -9.370 -0.491 1.00 0.00 N ATOM 262 CA PRO A 444 3.841 -9.845 -1.870 1.00 0.00 C ATOM 263 C PRO A 444 3.887 -8.696 -2.879 1.00 0.00 C ATOM 264 O PRO A 444 4.069 -8.939 -4.070 1.00 0.00 O ATOM 265 CB PRO A 444 2.550 -10.652 -2.021 1.00 0.00 C ATOM 266 CG PRO A 444 1.593 -9.929 -1.077 1.00 0.00 C ATOM 267 CD PRO A 444 2.503 -9.567 0.093 1.00 0.00 C ATOM 0 HA PRO A 444 4.734 -10.436 -2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 444 2.187 -10.647 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 444 2.688 -11.695 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 444 1.155 -9.045 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.767 -10.569 -0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 444 2.157 -8.664 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.519 -10.361 0.839 1.00 0.00 H new ATOM 275 N PHE A 445 3.725 -7.455 -2.411 1.00 0.00 N ATOM 276 CA PHE A 445 3.765 -6.281 -3.265 1.00 0.00 C ATOM 277 C PHE A 445 4.716 -5.228 -2.705 1.00 0.00 C ATOM 278 O PHE A 445 5.097 -5.281 -1.539 1.00 0.00 O ATOM 279 CB PHE A 445 2.356 -5.703 -3.410 1.00 0.00 C ATOM 280 CG PHE A 445 1.337 -6.681 -3.952 1.00 0.00 C ATOM 281 CD1 PHE A 445 1.438 -7.138 -5.273 1.00 0.00 C ATOM 282 CD2 PHE A 445 0.293 -7.132 -3.131 1.00 0.00 C ATOM 283 CE1 PHE A 445 0.500 -8.051 -5.772 1.00 0.00 C ATOM 284 CE2 PHE A 445 -0.647 -8.045 -3.629 1.00 0.00 C ATOM 285 CZ PHE A 445 -0.542 -8.505 -4.951 1.00 0.00 C ATOM 0 H PHE A 445 3.563 -7.244 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 445 4.136 -6.577 -4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 445 2.019 -5.347 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 445 2.397 -4.836 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 445 2.239 -6.786 -5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 445 0.213 -6.776 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 445 0.579 -8.405 -6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.450 -8.394 -2.997 1.00 0.00 H new ATOM 0 HZ PHE A 445 -1.265 -9.209 -5.336 1.00 0.00 H new ATOM 295 N PHE A 446 5.101 -4.270 -3.550 1.00 0.00 N ATOM 296 CA PHE A 446 5.964 -3.166 -3.163 1.00 0.00 C ATOM 297 C PHE A 446 5.495 -1.886 -3.849 1.00 0.00 C ATOM 298 O PHE A 446 4.988 -1.941 -4.969 1.00 0.00 O ATOM 299 CB PHE A 446 7.407 -3.511 -3.537 1.00 0.00 C ATOM 300 CG PHE A 446 8.422 -2.467 -3.134 1.00 0.00 C ATOM 301 CD1 PHE A 446 9.001 -2.508 -1.860 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.791 -1.458 -4.034 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.945 -1.544 -1.480 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.738 -0.495 -3.659 1.00 0.00 C ATOM 305 CZ PHE A 446 10.315 -0.537 -2.382 1.00 0.00 C ATOM 0 H PHE A 446 4.817 -4.243 -4.529 1.00 0.00 H new ATOM 0 HA PHE A 446 5.917 -3.002 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.674 -4.459 -3.070 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.465 -3.659 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.719 -3.286 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.345 -1.422 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.386 -1.577 -0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 446 10.023 0.280 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.044 0.206 -2.094 1.00 0.00 H new ATOM 315 N CYS A 447 5.666 -0.743 -3.180 1.00 0.00 N ATOM 316 CA CYS A 447 5.279 0.552 -3.719 1.00 0.00 C ATOM 317 C CYS A 447 6.546 1.360 -4.009 1.00 0.00 C ATOM 318 O CYS A 447 7.406 1.495 -3.138 1.00 0.00 O ATOM 319 CB CYS A 447 4.347 1.245 -2.724 1.00 0.00 C ATOM 320 SG CYS A 447 3.549 2.684 -3.489 1.00 0.00 S ATOM 0 H CYS A 447 6.078 -0.695 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 447 4.733 0.449 -4.657 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.588 0.543 -2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.912 1.560 -1.847 1.00 0.00 H new ATOM 325 N ARG A 448 6.661 1.892 -5.228 1.00 0.00 N ATOM 326 CA ARG A 448 7.894 2.503 -5.709 1.00 0.00 C ATOM 327 C ARG A 448 7.974 3.997 -5.405 1.00 0.00 C ATOM 328 O ARG A 448 9.039 4.596 -5.547 1.00 0.00 O ATOM 329 CB ARG A 448 8.006 2.217 -7.211 1.00 0.00 C ATOM 330 CG ARG A 448 9.342 2.655 -7.824 1.00 0.00 C ATOM 331 CD ARG A 448 10.528 2.002 -7.118 1.00 0.00 C ATOM 332 NE ARG A 448 11.792 2.387 -7.757 1.00 0.00 N ATOM 333 CZ ARG A 448 12.994 1.946 -7.376 1.00 0.00 C ATOM 334 NH1 ARG A 448 13.119 1.093 -6.365 1.00 0.00 N ATOM 335 NH2 ARG A 448 14.082 2.367 -8.016 1.00 0.00 N ATOM 0 H ARG A 448 5.900 1.909 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 448 8.740 2.065 -5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 448 7.872 1.148 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 448 7.194 2.726 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 448 9.360 2.394 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 448 9.433 3.739 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 448 10.541 2.298 -6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 448 10.419 0.918 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 448 11.750 3.034 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 448 12.290 0.766 -5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 448 14.044 0.765 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 448 13.995 3.023 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 448 15.003 2.034 -7.730 1.00 0.00 H new ATOM 349 N ASP A 449 6.870 4.612 -4.983 1.00 0.00 N ATOM 350 CA ASP A 449 6.843 6.036 -4.697 1.00 0.00 C ATOM 351 C ASP A 449 7.593 6.349 -3.408 1.00 0.00 C ATOM 352 O ASP A 449 7.716 5.503 -2.525 1.00 0.00 O ATOM 353 CB ASP A 449 5.395 6.513 -4.649 1.00 0.00 C ATOM 354 CG ASP A 449 4.756 6.446 -6.036 1.00 0.00 C ATOM 355 OD1 ASP A 449 4.373 5.328 -6.450 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.661 7.522 -6.671 1.00 0.00 O ATOM 0 H ASP A 449 5.980 4.138 -4.832 1.00 0.00 H new ATOM 0 HA ASP A 449 7.356 6.576 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.827 5.897 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.356 7.536 -4.275 1.00 0.00 H new ATOM 361 N GLN A 450 8.100 7.579 -3.296 1.00 0.00 N ATOM 362 CA GLN A 450 8.950 7.988 -2.183 1.00 0.00 C ATOM 363 C GLN A 450 8.159 8.152 -0.883 1.00 0.00 C ATOM 364 O GLN A 450 8.753 8.323 0.179 1.00 0.00 O ATOM 365 CB GLN A 450 9.647 9.305 -2.534 1.00 0.00 C ATOM 366 CG GLN A 450 10.474 9.197 -3.816 1.00 0.00 C ATOM 367 CD GLN A 450 11.654 8.241 -3.679 1.00 0.00 C ATOM 368 OE1 GLN A 450 12.005 7.802 -2.587 1.00 0.00 O ATOM 369 NE2 GLN A 450 12.287 7.902 -4.798 1.00 0.00 N ATOM 0 H GLN A 450 7.930 8.319 -3.978 1.00 0.00 H new ATOM 0 HA GLN A 450 9.687 7.202 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 450 8.900 10.090 -2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 450 10.295 9.602 -1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 450 9.832 8.860 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 450 10.843 10.186 -4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 450 11.977 8.279 -5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 450 13.082 7.264 -4.761 1.00 0.00 H new ATOM 378 N VAL A 451 6.826 8.101 -0.959 1.00 0.00 N ATOM 379 CA VAL A 451 5.972 8.238 0.215 1.00 0.00 C ATOM 380 C VAL A 451 5.510 6.874 0.725 1.00 0.00 C ATOM 381 O VAL A 451 4.850 6.799 1.761 1.00 0.00 O ATOM 382 CB VAL A 451 4.788 9.161 -0.097 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.288 10.529 -0.563 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.894 8.562 -1.180 1.00 0.00 C ATOM 0 H VAL A 451 6.315 7.964 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 451 6.553 8.695 1.016 1.00 0.00 H new ATOM 0 HB VAL A 451 4.208 9.274 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.436 11.173 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.894 10.982 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.891 10.409 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 451 3.063 9.238 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.473 8.419 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.507 7.601 -0.842 1.00 0.00 H new ATOM 394 N CYS A 452 5.858 5.799 0.008 1.00 0.00 N ATOM 395 CA CYS A 452 5.563 4.438 0.426 1.00 0.00 C ATOM 396 C CYS A 452 6.879 3.682 0.624 1.00 0.00 C ATOM 397 O CYS A 452 7.221 3.323 1.749 1.00 0.00 O ATOM 398 CB CYS A 452 4.674 3.756 -0.621 1.00 0.00 C ATOM 399 SG CYS A 452 3.144 4.688 -0.903 1.00 0.00 S ATOM 0 H CYS A 452 6.354 5.857 -0.881 1.00 0.00 H new ATOM 0 HA CYS A 452 5.020 4.441 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 452 5.222 3.661 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 452 4.430 2.746 -0.291 1.00 0.00 H new ATOM 404 N PHE A 453 7.603 3.453 -0.479 1.00 0.00 N ATOM 405 CA PHE A 453 8.939 2.861 -0.513 1.00 0.00 C ATOM 406 C PHE A 453 9.110 1.616 0.369 1.00 0.00 C ATOM 407 O PHE A 453 10.200 1.371 0.886 1.00 0.00 O ATOM 408 CB PHE A 453 9.983 3.945 -0.233 1.00 0.00 C ATOM 409 CG PHE A 453 11.385 3.562 -0.643 1.00 0.00 C ATOM 410 CD1 PHE A 453 11.687 3.363 -2.000 1.00 0.00 C ATOM 411 CD2 PHE A 453 12.391 3.402 0.326 1.00 0.00 C ATOM 412 CE1 PHE A 453 12.986 3.003 -2.388 1.00 0.00 C ATOM 413 CE2 PHE A 453 13.687 3.041 -0.064 1.00 0.00 C ATOM 414 CZ PHE A 453 13.986 2.842 -1.420 1.00 0.00 C ATOM 0 H PHE A 453 7.256 3.686 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 453 9.094 2.471 -1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 453 9.697 4.856 -0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 453 9.976 4.176 0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 453 10.917 3.487 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.165 3.557 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 453 13.215 2.850 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 453 14.458 2.916 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 453 14.986 2.565 -1.718 1.00 0.00 H new ATOM 424 N LYS A 454 8.049 0.826 0.551 1.00 0.00 N ATOM 425 CA LYS A 454 8.081 -0.344 1.420 1.00 0.00 C ATOM 426 C LYS A 454 7.280 -1.501 0.828 1.00 0.00 C ATOM 427 O LYS A 454 6.557 -1.325 -0.153 1.00 0.00 O ATOM 428 CB LYS A 454 7.522 0.029 2.795 1.00 0.00 C ATOM 429 CG LYS A 454 8.518 0.873 3.591 1.00 0.00 C ATOM 430 CD LYS A 454 7.931 1.221 4.958 1.00 0.00 C ATOM 431 CE LYS A 454 8.905 2.087 5.757 1.00 0.00 C ATOM 432 NZ LYS A 454 10.152 1.359 6.069 1.00 0.00 N ATOM 0 H LYS A 454 7.148 0.982 0.100 1.00 0.00 H new ATOM 0 HA LYS A 454 9.116 -0.671 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 454 6.590 0.581 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.285 -0.878 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.453 0.326 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.753 1.786 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 454 6.986 1.750 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 454 7.712 0.307 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 454 9.141 2.987 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 454 8.430 2.409 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 10.690 1.884 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 9.920 0.413 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 10.725 1.267 5.206 1.00 0.00 H new ATOM 446 N TYR A 455 7.414 -2.685 1.434 1.00 0.00 N ATOM 447 CA TYR A 455 6.649 -3.859 1.042 1.00 0.00 C ATOM 448 C TYR A 455 5.276 -3.827 1.704 1.00 0.00 C ATOM 449 O TYR A 455 5.126 -3.321 2.818 1.00 0.00 O ATOM 450 CB TYR A 455 7.400 -5.133 1.427 1.00 0.00 C ATOM 451 CG TYR A 455 8.629 -5.394 0.589 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.483 -5.961 -0.688 1.00 0.00 C ATOM 453 CD2 TYR A 455 9.905 -5.083 1.081 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.611 -6.216 -1.478 1.00 0.00 C ATOM 455 CE2 TYR A 455 11.039 -5.331 0.293 1.00 0.00 C ATOM 456 CZ TYR A 455 10.895 -5.902 -0.991 1.00 0.00 C ATOM 457 OH TYR A 455 11.994 -6.152 -1.757 1.00 0.00 O ATOM 0 H TYR A 455 8.057 -2.850 2.209 1.00 0.00 H new ATOM 0 HA TYR A 455 6.517 -3.852 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.693 -5.068 2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.724 -5.983 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.498 -6.201 -1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 455 10.015 -4.653 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 455 9.497 -6.653 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 455 12.022 -5.085 0.668 1.00 0.00 H new ATOM 0 HH TYR A 455 12.800 -5.875 -1.273 1.00 0.00 H new ATOM 467 N PHE A 456 4.276 -4.376 1.010 1.00 0.00 N ATOM 468 CA PHE A 456 2.902 -4.391 1.478 1.00 0.00 C ATOM 469 C PHE A 456 2.170 -5.626 0.972 1.00 0.00 C ATOM 470 O PHE A 456 2.657 -6.348 0.102 1.00 0.00 O ATOM 471 CB PHE A 456 2.178 -3.142 0.968 1.00 0.00 C ATOM 472 CG PHE A 456 2.782 -1.831 1.415 1.00 0.00 C ATOM 473 CD1 PHE A 456 2.582 -1.377 2.727 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.544 -1.069 0.520 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.142 -0.159 3.141 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.106 0.147 0.933 1.00 0.00 C ATOM 477 CZ PHE A 456 3.901 0.606 2.244 1.00 0.00 C ATOM 0 H PHE A 456 4.405 -4.824 0.103 1.00 0.00 H new ATOM 0 HA PHE A 456 2.910 -4.407 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.165 -3.167 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.141 -3.180 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 456 1.997 -1.965 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 456 3.699 -1.419 -0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 456 2.988 0.190 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 456 4.697 0.731 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.327 1.546 2.561 1.00 0.00 H new ATOM 487 N CYS A 457 0.983 -5.849 1.538 1.00 0.00 N ATOM 488 CA CYS A 457 0.036 -6.867 1.127 1.00 0.00 C ATOM 489 C CYS A 457 -1.267 -6.152 0.780 1.00 0.00 C ATOM 490 O CYS A 457 -1.328 -4.926 0.854 1.00 0.00 O ATOM 491 CB CYS A 457 -0.137 -7.893 2.245 1.00 0.00 C ATOM 492 SG CYS A 457 -0.800 -7.093 3.730 1.00 0.00 S ATOM 0 H CYS A 457 0.648 -5.298 2.328 1.00 0.00 H new ATOM 0 HA CYS A 457 0.384 -7.419 0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.809 -8.687 1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.821 -8.360 2.472 1.00 0.00 H new ATOM 497 N ARG A 458 -2.316 -6.886 0.403 1.00 0.00 N ATOM 498 CA ARG A 458 -3.561 -6.248 -0.004 1.00 0.00 C ATOM 499 C ARG A 458 -4.131 -5.384 1.123 1.00 0.00 C ATOM 500 O ARG A 458 -4.813 -4.395 0.857 1.00 0.00 O ATOM 501 CB ARG A 458 -4.545 -7.334 -0.449 1.00 0.00 C ATOM 502 CG ARG A 458 -5.845 -6.752 -1.014 1.00 0.00 C ATOM 503 CD ARG A 458 -5.586 -5.757 -2.146 1.00 0.00 C ATOM 504 NE ARG A 458 -4.792 -6.359 -3.224 1.00 0.00 N ATOM 505 CZ ARG A 458 -3.834 -5.719 -3.904 1.00 0.00 C ATOM 506 NH1 ARG A 458 -3.533 -4.453 -3.628 1.00 0.00 N ATOM 507 NH2 ARG A 458 -3.169 -6.349 -4.868 1.00 0.00 N ATOM 0 H ARG A 458 -2.326 -7.905 0.372 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.376 -5.576 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -4.072 -7.960 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.777 -7.979 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.475 -7.562 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -6.397 -6.256 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -6.537 -5.405 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -5.064 -4.885 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 458 -4.983 -7.330 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -4.035 -3.959 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -2.800 -3.977 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -3.389 -7.320 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -2.439 -5.861 -5.387 1.00 0.00 H new ATOM 521 N SER A 459 -3.858 -5.743 2.384 1.00 0.00 N ATOM 522 CA SER A 459 -4.380 -5.027 3.536 1.00 0.00 C ATOM 523 C SER A 459 -3.633 -3.715 3.767 1.00 0.00 C ATOM 524 O SER A 459 -4.249 -2.650 3.799 1.00 0.00 O ATOM 525 CB SER A 459 -4.270 -5.909 4.777 1.00 0.00 C ATOM 526 OG SER A 459 -5.133 -7.020 4.649 1.00 0.00 O ATOM 0 H SER A 459 -3.268 -6.539 2.625 1.00 0.00 H new ATOM 0 HA SER A 459 -5.425 -4.787 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.242 -6.248 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.529 -5.335 5.667 1.00 0.00 H new ATOM 0 HG SER A 459 -5.059 -7.585 5.446 1.00 0.00 H new ATOM 532 N CYS A 460 -2.309 -3.784 3.926 1.00 0.00 N ATOM 533 CA CYS A 460 -1.531 -2.604 4.241 1.00 0.00 C ATOM 534 C CYS A 460 -1.273 -1.747 2.999 1.00 0.00 C ATOM 535 O CYS A 460 -0.859 -0.594 3.125 1.00 0.00 O ATOM 536 CB CYS A 460 -0.270 -3.015 5.003 1.00 0.00 C ATOM 537 SG CYS A 460 0.619 -4.352 4.169 1.00 0.00 S ATOM 0 H CYS A 460 -1.765 -4.642 3.841 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.099 -1.951 4.903 1.00 0.00 H new ATOM 0 HB2 CYS A 460 0.388 -2.152 5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -0.542 -3.333 6.010 1.00 0.00 H new ATOM 542 N TRP A 461 -1.513 -2.289 1.800 1.00 0.00 N ATOM 543 CA TRP A 461 -1.502 -1.483 0.593 1.00 0.00 C ATOM 544 C TRP A 461 -2.705 -0.549 0.610 1.00 0.00 C ATOM 545 O TRP A 461 -2.579 0.627 0.274 1.00 0.00 O ATOM 546 CB TRP A 461 -1.561 -2.376 -0.648 1.00 0.00 C ATOM 547 CG TRP A 461 -1.622 -1.613 -1.933 1.00 0.00 C ATOM 548 CD1 TRP A 461 -2.744 -1.145 -2.522 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.524 -1.205 -2.802 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.419 -0.462 -3.675 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.055 -0.452 -3.886 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.873 -1.375 -2.763 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.243 0.138 -4.862 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.694 -0.808 -3.748 1.00 0.00 C ATOM 555 CH2 TRP A 461 1.145 -0.044 -4.785 1.00 0.00 C ATOM 0 H TRP A 461 -1.715 -3.277 1.649 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.580 -0.903 0.558 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.684 -3.024 -0.661 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.435 -3.024 -0.578 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -3.747 -1.285 -2.146 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.100 -0.020 -4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 461 1.318 -1.950 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.678 0.722 -5.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.762 -0.962 -3.706 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.791 0.405 -5.525 1.00 0.00 H new ATOM 566 N HIS A 462 -3.878 -1.058 1.004 1.00 0.00 N ATOM 567 CA HIS A 462 -5.066 -0.221 1.071 1.00 0.00 C ATOM 568 C HIS A 462 -4.963 0.780 2.216 1.00 0.00 C ATOM 569 O HIS A 462 -5.706 1.759 2.227 1.00 0.00 O ATOM 570 CB HIS A 462 -6.311 -1.098 1.234 1.00 0.00 C ATOM 571 CG HIS A 462 -6.710 -1.827 -0.022 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.398 -1.437 -1.328 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.449 -2.973 -0.061 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.970 -2.357 -2.124 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.609 -3.288 -1.391 1.00 0.00 N ATOM 0 H HIS A 462 -4.023 -2.030 1.276 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.148 0.342 0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.130 -1.827 2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.143 -0.474 1.561 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.833 -3.524 0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.923 -2.350 -3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -8.123 -4.089 -1.758 1.00 0.00 H new ATOM 583 N TRP A 463 -4.059 0.561 3.178 1.00 0.00 N ATOM 584 CA TRP A 463 -3.878 1.494 4.282 1.00 0.00 C ATOM 585 C TRP A 463 -2.951 2.652 3.911 1.00 0.00 C ATOM 586 O TRP A 463 -3.041 3.715 4.527 1.00 0.00 O ATOM 587 CB TRP A 463 -3.342 0.747 5.502 1.00 0.00 C ATOM 588 CG TRP A 463 -4.248 -0.299 6.076 1.00 0.00 C ATOM 589 CD1 TRP A 463 -5.572 -0.436 5.834 1.00 0.00 C ATOM 590 CD2 TRP A 463 -3.911 -1.372 7.008 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.066 -1.511 6.542 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.082 -2.126 7.290 1.00 0.00 C ATOM 593 CE3 TRP A 463 -2.726 -1.775 7.643 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -5.083 -3.219 8.167 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -2.713 -2.865 8.528 1.00 0.00 C ATOM 596 CH2 TRP A 463 -3.885 -3.586 8.793 1.00 0.00 C ATOM 0 H TRP A 463 -3.446 -0.254 3.209 1.00 0.00 H new ATOM 0 HA TRP A 463 -4.850 1.928 4.518 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -2.399 0.274 5.229 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.119 1.475 6.282 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.154 0.201 5.184 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.039 -1.815 6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -1.809 -1.238 7.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -5.993 -3.769 8.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -1.790 -3.151 9.010 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -3.865 -4.421 9.477 1.00 0.00 H new ATOM 607 N ARG A 464 -2.068 2.474 2.922 1.00 0.00 N ATOM 608 CA ARG A 464 -1.216 3.559 2.429 1.00 0.00 C ATOM 609 C ARG A 464 -1.796 4.207 1.179 1.00 0.00 C ATOM 610 O ARG A 464 -1.251 5.196 0.695 1.00 0.00 O ATOM 611 CB ARG A 464 0.196 3.040 2.143 1.00 0.00 C ATOM 612 CG ARG A 464 0.997 2.819 3.426 1.00 0.00 C ATOM 613 CD ARG A 464 1.332 4.166 4.072 1.00 0.00 C ATOM 614 NE ARG A 464 2.198 3.994 5.244 1.00 0.00 N ATOM 615 CZ ARG A 464 3.530 4.087 5.214 1.00 0.00 C ATOM 616 NH1 ARG A 464 4.176 4.333 4.077 1.00 0.00 N ATOM 617 NH2 ARG A 464 4.233 3.930 6.332 1.00 0.00 N ATOM 0 H ARG A 464 -1.925 1.583 2.446 1.00 0.00 H new ATOM 0 HA ARG A 464 -1.169 4.319 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 464 0.132 2.103 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 464 0.721 3.751 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 464 0.424 2.205 4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 464 1.915 2.275 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 464 1.826 4.809 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 464 0.411 4.669 4.368 1.00 0.00 H new ATOM 0 HE ARG A 464 1.754 3.790 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 464 3.653 4.454 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 464 5.194 4.401 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 464 3.755 3.739 7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 464 5.250 4.001 6.309 1.00 0.00 H new ATOM 631 N HIS A 465 -2.893 3.664 0.650 1.00 0.00 N ATOM 632 CA HIS A 465 -3.511 4.184 -0.558 1.00 0.00 C ATOM 633 C HIS A 465 -5.017 4.378 -0.364 1.00 0.00 C ATOM 634 O HIS A 465 -5.768 4.421 -1.338 1.00 0.00 O ATOM 635 CB HIS A 465 -3.170 3.261 -1.727 1.00 0.00 C ATOM 636 CG HIS A 465 -1.686 3.013 -1.855 1.00 0.00 C ATOM 637 ND1 HIS A 465 -1.048 1.807 -1.674 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.717 3.930 -2.153 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.266 1.994 -1.863 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.530 3.280 -2.161 1.00 0.00 N ATOM 0 H HIS A 465 -3.372 2.856 1.048 1.00 0.00 H new ATOM 0 HA HIS A 465 -3.114 5.173 -0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.684 2.309 -1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.543 3.700 -2.653 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.498 0.923 -1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.882 4.979 -2.350 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.012 1.217 -1.786 1.00 0.00 H new ATOM 648 N SER A 466 -5.457 4.496 0.894 1.00 0.00 N ATOM 649 CA SER A 466 -6.865 4.665 1.232 1.00 0.00 C ATOM 650 C SER A 466 -7.398 5.997 0.719 1.00 0.00 C ATOM 651 O SER A 466 -8.561 6.094 0.333 1.00 0.00 O ATOM 652 CB SER A 466 -7.017 4.611 2.752 1.00 0.00 C ATOM 653 OG SER A 466 -8.382 4.721 3.109 1.00 0.00 O ATOM 0 H SER A 466 -4.840 4.476 1.706 1.00 0.00 H new ATOM 0 HA SER A 466 -7.436 3.865 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 466 -6.608 3.675 3.133 1.00 0.00 H new ATOM 0 HB3 SER A 466 -6.447 5.419 3.211 1.00 0.00 H new ATOM 0 HG SER A 466 -8.469 4.684 4.084 1.00 0.00 H new ATOM 659 N MET A 467 -6.548 7.029 0.712 1.00 0.00 N ATOM 660 CA MET A 467 -6.926 8.362 0.270 1.00 0.00 C ATOM 661 C MET A 467 -6.714 8.520 -1.231 1.00 0.00 C ATOM 662 O MET A 467 -5.950 7.777 -1.843 1.00 0.00 O ATOM 663 CB MET A 467 -6.172 9.415 1.082 1.00 0.00 C ATOM 664 CG MET A 467 -4.657 9.208 1.036 1.00 0.00 C ATOM 665 SD MET A 467 -3.735 10.398 2.043 1.00 0.00 S ATOM 666 CE MET A 467 -2.110 9.604 1.994 1.00 0.00 C ATOM 0 H MET A 467 -5.577 6.956 1.015 1.00 0.00 H new ATOM 0 HA MET A 467 -7.991 8.510 0.449 1.00 0.00 H new ATOM 0 HB2 MET A 467 -6.413 10.407 0.699 1.00 0.00 H new ATOM 0 HB3 MET A 467 -6.510 9.382 2.118 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.426 8.199 1.377 1.00 0.00 H new ATOM 0 HG3 MET A 467 -4.320 9.280 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 467 -1.332 10.362 2.083 1.00 0.00 H new ATOM 0 HE2 MET A 467 -2.025 8.898 2.820 1.00 0.00 H new ATOM 0 HE3 MET A 467 -1.993 9.073 1.049 1.00 0.00 H new ATOM 676 N GLU A 468 -7.399 9.502 -1.821 1.00 0.00 N ATOM 677 CA GLU A 468 -7.378 9.734 -3.259 1.00 0.00 C ATOM 678 C GLU A 468 -6.034 10.316 -3.714 1.00 0.00 C ATOM 679 O GLU A 468 -5.734 10.328 -4.907 1.00 0.00 O ATOM 680 CB GLU A 468 -8.546 10.662 -3.609 1.00 0.00 C ATOM 681 CG GLU A 468 -8.734 10.808 -5.120 1.00 0.00 C ATOM 682 CD GLU A 468 -9.989 11.622 -5.431 1.00 0.00 C ATOM 683 OE1 GLU A 468 -9.867 12.865 -5.509 1.00 0.00 O ATOM 684 OE2 GLU A 468 -11.062 11.001 -5.591 1.00 0.00 O ATOM 0 H GLU A 468 -7.986 10.160 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.492 8.788 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.463 10.273 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -8.372 11.644 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -7.861 11.295 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -8.811 9.822 -5.579 1.00 0.00 H new ATOM 691 N GLY A 469 -5.219 10.800 -2.770 1.00 0.00 N ATOM 692 CA GLY A 469 -3.978 11.487 -3.088 1.00 0.00 C ATOM 693 C GLY A 469 -2.867 10.565 -3.590 1.00 0.00 C ATOM 694 O GLY A 469 -1.919 11.053 -4.199 1.00 0.00 O ATOM 0 H GLY A 469 -5.407 10.723 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -4.178 12.244 -3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.627 12.011 -2.199 1.00 0.00 H new ATOM 698 N LEU A 470 -2.968 9.249 -3.350 1.00 0.00 N ATOM 699 CA LEU A 470 -1.932 8.294 -3.746 1.00 0.00 C ATOM 700 C LEU A 470 -2.473 7.190 -4.656 1.00 0.00 C ATOM 701 O LEU A 470 -1.846 6.139 -4.788 1.00 0.00 O ATOM 702 CB LEU A 470 -1.242 7.689 -2.515 1.00 0.00 C ATOM 703 CG LEU A 470 -0.576 8.714 -1.591 1.00 0.00 C ATOM 704 CD1 LEU A 470 0.163 7.976 -0.479 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.440 9.595 -2.316 1.00 0.00 C ATOM 0 H LEU A 470 -3.766 8.823 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.194 8.853 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.979 7.126 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.488 6.977 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 470 -1.369 9.353 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.640 8.699 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.545 7.374 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 470 0.923 7.327 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 470 0.878 10.301 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.226 8.970 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 470 -0.059 10.143 -3.115 1.00 0.00 H new ATOM 717 N ARG A 471 -3.628 7.412 -5.291 1.00 0.00 N ATOM 718 CA ARG A 471 -4.243 6.419 -6.167 1.00 0.00 C ATOM 719 C ARG A 471 -3.480 6.273 -7.484 1.00 0.00 C ATOM 720 O ARG A 471 -3.843 5.445 -8.315 1.00 0.00 O ATOM 721 CB ARG A 471 -5.698 6.803 -6.446 1.00 0.00 C ATOM 722 CG ARG A 471 -6.537 6.826 -5.168 1.00 0.00 C ATOM 723 CD ARG A 471 -6.665 5.434 -4.547 1.00 0.00 C ATOM 724 NE ARG A 471 -7.534 5.467 -3.366 1.00 0.00 N ATOM 725 CZ ARG A 471 -8.868 5.451 -3.408 1.00 0.00 C ATOM 726 NH1 ARG A 471 -9.516 5.371 -4.567 1.00 0.00 N ATOM 727 NH2 ARG A 471 -9.570 5.514 -2.281 1.00 0.00 N ATOM 0 H ARG A 471 -4.157 8.280 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.208 5.457 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -5.730 7.785 -6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.131 6.095 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -6.082 7.505 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -7.530 7.217 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -7.070 4.739 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -5.679 5.064 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 471 -7.088 5.505 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -8.993 5.321 -5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -10.536 5.360 -4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.089 5.575 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -10.589 5.502 -2.314 1.00 0.00 H new ATOM 741 N HIS A 472 -2.425 7.071 -7.682 1.00 0.00 N ATOM 742 CA HIS A 472 -1.608 7.018 -8.882 1.00 0.00 C ATOM 743 C HIS A 472 -0.478 5.995 -8.747 1.00 0.00 C ATOM 744 O HIS A 472 0.262 5.770 -9.702 1.00 0.00 O ATOM 745 CB HIS A 472 -1.056 8.416 -9.171 1.00 0.00 C ATOM 746 CG HIS A 472 -0.156 8.927 -8.073 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.583 9.382 -6.820 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.203 9.016 -8.142 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.538 9.734 -6.170 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.622 9.534 -6.940 1.00 0.00 N ATOM 0 H HIS A 472 -2.119 7.772 -7.007 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.227 6.694 -9.719 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.502 8.396 -10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -1.886 9.109 -9.306 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.827 8.735 -8.977 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.565 10.125 -5.164 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.588 9.732 -6.678 1.00 0.00 H new ATOM 758 N HIS A 473 -0.339 5.372 -7.570 1.00 0.00 N ATOM 759 CA HIS A 473 0.670 4.351 -7.346 1.00 0.00 C ATOM 760 C HIS A 473 0.252 3.041 -8.007 1.00 0.00 C ATOM 761 O HIS A 473 -0.935 2.813 -8.254 1.00 0.00 O ATOM 762 CB HIS A 473 0.867 4.129 -5.841 1.00 0.00 C ATOM 763 CG HIS A 473 1.387 5.329 -5.086 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.695 5.349 -3.721 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.618 6.565 -5.614 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.072 6.612 -3.465 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.055 7.355 -4.581 1.00 0.00 N ATOM 0 H HIS A 473 -0.923 5.566 -6.756 1.00 0.00 H new ATOM 0 HA HIS A 473 1.609 4.687 -7.786 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.085 3.828 -5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.560 3.299 -5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.483 6.863 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.352 6.981 -2.489 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.321 8.337 -4.650 1.00 0.00 H new ATOM 775 N SER A 474 1.232 2.181 -8.285 1.00 0.00 N ATOM 776 CA SER A 474 0.997 0.858 -8.844 1.00 0.00 C ATOM 777 C SER A 474 1.898 -0.147 -8.128 1.00 0.00 C ATOM 778 O SER A 474 3.067 0.144 -7.886 1.00 0.00 O ATOM 779 CB SER A 474 1.289 0.855 -10.346 1.00 0.00 C ATOM 780 OG SER A 474 0.411 1.745 -11.004 1.00 0.00 O ATOM 0 H SER A 474 2.218 2.389 -8.126 1.00 0.00 H new ATOM 0 HA SER A 474 -0.048 0.582 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 474 2.323 1.150 -10.526 1.00 0.00 H new ATOM 0 HB3 SER A 474 1.170 -0.151 -10.747 1.00 0.00 H new ATOM 0 HG SER A 474 0.602 1.742 -11.965 1.00 0.00 H new ATOM 786 N PRO A 475 1.374 -1.327 -7.783 1.00 0.00 N ATOM 787 CA PRO A 475 2.115 -2.338 -7.052 1.00 0.00 C ATOM 788 C PRO A 475 3.117 -3.045 -7.959 1.00 0.00 C ATOM 789 O PRO A 475 2.825 -3.334 -9.120 1.00 0.00 O ATOM 790 CB PRO A 475 1.056 -3.311 -6.537 1.00 0.00 C ATOM 791 CG PRO A 475 -0.020 -3.241 -7.620 1.00 0.00 C ATOM 792 CD PRO A 475 0.019 -1.774 -8.051 1.00 0.00 C ATOM 0 HA PRO A 475 2.699 -1.907 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.453 -4.320 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 475 0.670 -3.011 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.200 -3.912 -8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -1.000 -3.522 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.227 -1.669 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.707 -1.182 -7.494 1.00 0.00 H new ATOM 800 N LEU A 476 4.302 -3.327 -7.421 1.00 0.00 N ATOM 801 CA LEU A 476 5.310 -4.125 -8.101 1.00 0.00 C ATOM 802 C LEU A 476 5.168 -5.567 -7.629 1.00 0.00 C ATOM 803 O LEU A 476 4.752 -5.811 -6.495 1.00 0.00 O ATOM 804 CB LEU A 476 6.713 -3.584 -7.815 1.00 0.00 C ATOM 805 CG LEU A 476 7.081 -2.361 -8.666 1.00 0.00 C ATOM 806 CD1 LEU A 476 6.191 -1.156 -8.375 1.00 0.00 C ATOM 807 CD2 LEU A 476 8.525 -1.956 -8.369 1.00 0.00 C ATOM 0 H LEU A 476 4.587 -3.005 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 476 5.164 -4.076 -9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.783 -3.318 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 476 7.442 -4.374 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 476 6.946 -2.647 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 476 6.495 -0.319 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU A 476 5.153 -1.411 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 476 6.289 -0.876 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.791 -1.087 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.623 -1.708 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 476 9.192 -2.783 -8.611 1.00 0.00 H new ATOM 819 N MET A 477 5.510 -6.521 -8.497 1.00 0.00 N ATOM 820 CA MET A 477 5.366 -7.936 -8.186 1.00 0.00 C ATOM 821 C MET A 477 6.594 -8.466 -7.452 1.00 0.00 C ATOM 822 O MET A 477 7.662 -7.855 -7.505 1.00 0.00 O ATOM 823 CB MET A 477 5.109 -8.729 -9.470 1.00 0.00 C ATOM 824 CG MET A 477 3.830 -8.245 -10.157 1.00 0.00 C ATOM 825 SD MET A 477 3.429 -9.110 -11.698 1.00 0.00 S ATOM 826 CE MET A 477 3.088 -10.769 -11.058 1.00 0.00 C ATOM 0 H MET A 477 5.890 -6.333 -9.425 1.00 0.00 H new ATOM 0 HA MET A 477 4.511 -8.060 -7.522 1.00 0.00 H new ATOM 0 HB2 MET A 477 5.956 -8.619 -10.147 1.00 0.00 H new ATOM 0 HB3 MET A 477 5.023 -9.790 -9.237 1.00 0.00 H new ATOM 0 HG2 MET A 477 2.996 -8.358 -9.464 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.927 -7.180 -10.368 1.00 0.00 H new ATOM 0 HE1 MET A 477 2.655 -11.382 -11.848 1.00 0.00 H new ATOM 0 HE2 MET A 477 4.017 -11.224 -10.714 1.00 0.00 H new ATOM 0 HE3 MET A 477 2.387 -10.701 -10.226 1.00 0.00 H new ATOM 836 N ARG A 478 6.435 -9.607 -6.771 1.00 0.00 N ATOM 837 CA ARG A 478 7.513 -10.242 -6.018 1.00 0.00 C ATOM 838 C ARG A 478 7.625 -11.729 -6.361 1.00 0.00 C ATOM 839 O ARG A 478 8.598 -12.381 -5.982 1.00 0.00 O ATOM 840 CB ARG A 478 7.254 -10.001 -4.529 1.00 0.00 C ATOM 841 CG ARG A 478 8.418 -10.482 -3.657 1.00 0.00 C ATOM 842 CD ARG A 478 8.164 -10.095 -2.203 1.00 0.00 C ATOM 843 NE ARG A 478 9.238 -10.599 -1.344 1.00 0.00 N ATOM 844 CZ ARG A 478 9.411 -10.232 -0.073 1.00 0.00 C ATOM 845 NH1 ARG A 478 8.592 -9.356 0.502 1.00 0.00 N ATOM 846 NH2 ARG A 478 10.417 -10.748 0.626 1.00 0.00 N ATOM 0 H ARG A 478 5.551 -10.114 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 478 8.475 -9.805 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 478 7.089 -8.937 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 478 6.341 -10.517 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 478 8.527 -11.563 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 478 9.352 -10.040 -4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 478 8.098 -9.011 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 478 7.207 -10.500 -1.874 1.00 0.00 H new ATOM 0 HE ARG A 478 9.894 -11.272 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 478 7.819 -8.955 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 478 8.737 -9.085 1.475 1.00 0.00 H new ATOM 0 HH21 ARG A 478 11.050 -11.419 0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 478 10.556 -10.473 1.598 1.00 0.00 H new ATOM 860 N ASN A 479 6.636 -12.270 -7.080 1.00 0.00 N ATOM 861 CA ASN A 479 6.632 -13.663 -7.500 1.00 0.00 C ATOM 862 C ASN A 479 5.874 -13.794 -8.822 1.00 0.00 C ATOM 863 O ASN A 479 5.001 -12.979 -9.120 1.00 0.00 O ATOM 864 CB ASN A 479 5.980 -14.512 -6.402 1.00 0.00 C ATOM 865 CG ASN A 479 6.169 -16.006 -6.626 1.00 0.00 C ATOM 866 OD1 ASN A 479 6.995 -16.427 -7.429 1.00 0.00 O ATOM 867 ND2 ASN A 479 5.402 -16.822 -5.910 1.00 0.00 N ATOM 0 H ASN A 479 5.815 -11.746 -7.385 1.00 0.00 H new ATOM 0 HA ASN A 479 7.651 -14.016 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 479 6.403 -14.237 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 479 4.914 -14.287 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 479 5.491 -17.832 -6.020 1.00 0.00 H new ATOM 0 HD22 ASN A 479 4.725 -16.438 -5.251 1.00 0.00 H new ATOM 874 N GLN A 480 6.201 -14.820 -9.610 1.00 0.00 N ATOM 875 CA GLN A 480 5.583 -15.061 -10.907 1.00 0.00 C ATOM 876 C GLN A 480 5.431 -16.561 -11.156 1.00 0.00 C ATOM 877 O GLN A 480 6.077 -17.376 -10.497 1.00 0.00 O ATOM 878 CB GLN A 480 6.432 -14.436 -12.016 1.00 0.00 C ATOM 879 CG GLN A 480 6.472 -12.908 -11.916 1.00 0.00 C ATOM 880 CD GLN A 480 7.271 -12.275 -13.051 1.00 0.00 C ATOM 881 OE1 GLN A 480 7.837 -12.965 -13.892 1.00 0.00 O ATOM 882 NE2 GLN A 480 7.319 -10.946 -13.082 1.00 0.00 N ATOM 0 H GLN A 480 6.909 -15.511 -9.360 1.00 0.00 H new ATOM 0 HA GLN A 480 4.594 -14.603 -10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 480 7.447 -14.830 -11.961 1.00 0.00 H new ATOM 0 HB3 GLN A 480 6.030 -14.725 -12.987 1.00 0.00 H new ATOM 0 HG2 GLN A 480 5.454 -12.518 -11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 480 6.911 -12.620 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 480 6.837 -10.401 -12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 480 7.838 -10.472 -13.821 1.00 0.00 H new ATOM 891 N LYS A 481 4.573 -16.921 -12.114 1.00 0.00 N ATOM 892 CA LYS A 481 4.326 -18.313 -12.468 1.00 0.00 C ATOM 893 C LYS A 481 5.495 -18.867 -13.283 1.00 0.00 C ATOM 894 O LYS A 481 6.174 -18.121 -13.986 1.00 0.00 O ATOM 895 CB LYS A 481 3.000 -18.409 -13.230 1.00 0.00 C ATOM 896 CG LYS A 481 2.628 -19.867 -13.516 1.00 0.00 C ATOM 897 CD LYS A 481 1.281 -19.935 -14.234 1.00 0.00 C ATOM 898 CE LYS A 481 0.919 -21.383 -14.554 1.00 0.00 C ATOM 899 NZ LYS A 481 1.873 -21.976 -15.509 1.00 0.00 N ATOM 0 H LYS A 481 4.032 -16.253 -12.663 1.00 0.00 H new ATOM 0 HA LYS A 481 4.247 -18.920 -11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 481 2.208 -17.937 -12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 481 3.077 -17.860 -14.169 1.00 0.00 H new ATOM 0 HG2 LYS A 481 3.399 -20.334 -14.129 1.00 0.00 H new ATOM 0 HG3 LYS A 481 2.580 -20.428 -12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 481 0.506 -19.490 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 481 1.323 -19.352 -15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 481 0.909 -21.969 -13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -0.088 -21.425 -14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 1.572 -22.943 -15.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 1.901 -21.400 -16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 2.821 -22.004 -15.081 1.00 0.00 H new ATOM 913 N ASN A 482 5.729 -20.178 -13.188 1.00 0.00 N ATOM 914 CA ASN A 482 6.786 -20.844 -13.932 1.00 0.00 C ATOM 915 C ASN A 482 6.442 -20.878 -15.423 1.00 0.00 C ATOM 916 O ASN A 482 5.272 -20.804 -15.797 1.00 0.00 O ATOM 917 CB ASN A 482 6.979 -22.253 -13.355 1.00 0.00 C ATOM 918 CG ASN A 482 8.237 -22.943 -13.869 1.00 0.00 C ATOM 919 OD1 ASN A 482 9.099 -22.319 -14.481 1.00 0.00 O ATOM 920 ND2 ASN A 482 8.351 -24.245 -13.625 1.00 0.00 N ATOM 0 H ASN A 482 5.187 -20.803 -12.591 1.00 0.00 H new ATOM 0 HA ASN A 482 7.723 -20.297 -13.834 1.00 0.00 H new ATOM 0 HB2 ASN A 482 7.025 -22.191 -12.268 1.00 0.00 H new ATOM 0 HB3 ASN A 482 6.110 -22.863 -13.603 1.00 0.00 H new ATOM 0 HD21 ASN A 482 9.173 -24.755 -13.949 1.00 0.00 H new ATOM 0 HD22 ASN A 482 7.617 -24.734 -13.113 1.00 0.00 H new ATOM 927 N ARG A 483 7.464 -20.989 -16.276 1.00 0.00 N ATOM 928 CA ARG A 483 7.296 -21.018 -17.727 1.00 0.00 C ATOM 929 C ARG A 483 6.921 -22.412 -18.228 1.00 0.00 C ATOM 930 O ARG A 483 6.857 -22.642 -19.433 1.00 0.00 O ATOM 931 CB ARG A 483 8.574 -20.506 -18.403 1.00 0.00 C ATOM 932 CG ARG A 483 8.858 -19.061 -17.988 1.00 0.00 C ATOM 933 CD ARG A 483 10.103 -18.550 -18.708 1.00 0.00 C ATOM 934 NE ARG A 483 10.407 -17.169 -18.323 1.00 0.00 N ATOM 935 CZ ARG A 483 11.428 -16.464 -18.816 1.00 0.00 C ATOM 936 NH1 ARG A 483 12.255 -17.000 -19.714 1.00 0.00 N ATOM 937 NH2 ARG A 483 11.628 -15.213 -18.412 1.00 0.00 N ATOM 0 H ARG A 483 8.436 -21.062 -15.975 1.00 0.00 H new ATOM 0 HA ARG A 483 6.468 -20.360 -17.991 1.00 0.00 H new ATOM 0 HB2 ARG A 483 9.416 -21.141 -18.130 1.00 0.00 H new ATOM 0 HB3 ARG A 483 8.468 -20.565 -19.486 1.00 0.00 H new ATOM 0 HG2 ARG A 483 8.003 -18.429 -18.229 1.00 0.00 H new ATOM 0 HG3 ARG A 483 9.002 -19.005 -16.909 1.00 0.00 H new ATOM 0 HD2 ARG A 483 10.952 -19.192 -18.472 1.00 0.00 H new ATOM 0 HD3 ARG A 483 9.952 -18.605 -19.786 1.00 0.00 H new ATOM 0 HE ARG A 483 9.802 -16.719 -17.636 1.00 0.00 H new ATOM 0 HH11 ARG A 483 12.111 -17.959 -20.032 1.00 0.00 H new ATOM 0 HH12 ARG A 483 13.032 -16.451 -20.083 1.00 0.00 H new ATOM 0 HH21 ARG A 483 11.002 -14.792 -17.726 1.00 0.00 H new ATOM 0 HH22 ARG A 483 12.408 -14.674 -18.788 1.00 0.00 H new ATOM 951 N ASP A 484 6.670 -23.342 -17.305 1.00 0.00 N ATOM 952 CA ASP A 484 6.283 -24.708 -17.616 1.00 0.00 C ATOM 953 C ASP A 484 5.239 -25.195 -16.610 1.00 0.00 C ATOM 954 O ASP A 484 5.172 -24.696 -15.487 1.00 0.00 O ATOM 955 CB ASP A 484 7.529 -25.597 -17.605 1.00 0.00 C ATOM 956 CG ASP A 484 7.204 -27.059 -17.916 1.00 0.00 C ATOM 957 OD1 ASP A 484 6.317 -27.291 -18.768 1.00 0.00 O ATOM 958 OD2 ASP A 484 7.847 -27.934 -17.294 1.00 0.00 O ATOM 0 H ASP A 484 6.733 -23.158 -16.304 1.00 0.00 H new ATOM 0 HA ASP A 484 5.834 -24.754 -18.608 1.00 0.00 H new ATOM 0 HB2 ASP A 484 8.245 -25.223 -18.337 1.00 0.00 H new ATOM 0 HB3 ASP A 484 8.009 -25.534 -16.628 1.00 0.00 H new ATOM 963 N SER A 485 4.425 -26.174 -17.013 1.00 0.00 N ATOM 964 CA SER A 485 3.356 -26.728 -16.194 1.00 0.00 C ATOM 965 C SER A 485 3.300 -28.251 -16.322 1.00 0.00 C ATOM 966 O SER A 485 2.342 -28.872 -15.858 1.00 0.00 O ATOM 967 CB SER A 485 2.015 -26.109 -16.598 1.00 0.00 C ATOM 968 OG SER A 485 2.079 -24.701 -16.519 1.00 0.00 O ATOM 0 H SER A 485 4.496 -26.608 -17.934 1.00 0.00 H new ATOM 0 HA SER A 485 3.560 -26.486 -15.151 1.00 0.00 H new ATOM 0 HB2 SER A 485 1.759 -26.411 -17.613 1.00 0.00 H new ATOM 0 HB3 SER A 485 1.225 -26.481 -15.946 1.00 0.00 H new ATOM 0 HG SER A 485 1.365 -24.310 -17.065 1.00 0.00 H new ATOM 974 N SER A 486 4.317 -28.853 -16.945 1.00 0.00 N ATOM 975 CA SER A 486 4.385 -30.296 -17.159 1.00 0.00 C ATOM 976 C SER A 486 4.561 -31.036 -15.835 1.00 0.00 C ATOM 977 O SER A 486 5.408 -30.589 -15.026 1.00 0.00 O ATOM 978 CB SER A 486 5.535 -30.633 -18.109 1.00 0.00 C ATOM 979 OG SER A 486 5.367 -29.956 -19.335 1.00 0.00 O ATOM 980 OXT SER A 486 3.846 -32.044 -15.644 1.00 0.00 O ATOM 0 H SER A 486 5.121 -28.347 -17.317 1.00 0.00 H new ATOM 0 HA SER A 486 3.446 -30.620 -17.608 1.00 0.00 H new ATOM 0 HB2 SER A 486 6.485 -30.350 -17.656 1.00 0.00 H new ATOM 0 HB3 SER A 486 5.571 -31.709 -18.281 1.00 0.00 H new ATOM 0 HG SER A 486 5.651 -29.023 -19.235 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.656 -6.257 4.776 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.364 3.907 -2.524 1.00 0.00 ZN