USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 465 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 484 GLN : amide:sc= -0.0806 K(o=-0.081,f=-0.71) USER MOD Single : A 440 SER OG : rot -57:sc= 0.115 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 TYR OH : rot 160:sc= 0.73 USER MOD Single : A 446 SER OG : rot 150:sc= 0.168 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot -71:sc= 1.13 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -140:sc= -0.258 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot -149:sc=-0.000919 USER MOD Single : A 461 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 467 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.26) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.0766 X(o=0.077,f=-0.028) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 487 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.2) USER MOD Single : A 490 MET CE :methyl -163:sc= -0.25 (180deg=-0.639) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 10.770 -2.931 -7.279 1.00 0.00 N ATOM 2 CA GLY A 439 10.238 -4.045 -6.493 1.00 0.00 C ATOM 3 C GLY A 439 11.113 -4.273 -5.277 1.00 0.00 C ATOM 4 O GLY A 439 11.291 -3.356 -4.477 1.00 0.00 O ATOM 0 HA2 GLY A 439 9.216 -3.829 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 439 10.202 -4.948 -7.102 1.00 0.00 H new ATOM 8 N SER A 440 11.644 -5.493 -5.121 1.00 0.00 N ATOM 9 CA SER A 440 12.503 -5.885 -4.002 1.00 0.00 C ATOM 10 C SER A 440 13.755 -6.635 -4.483 1.00 0.00 C ATOM 11 O SER A 440 14.209 -7.583 -3.833 1.00 0.00 O ATOM 12 CB SER A 440 11.700 -6.710 -2.989 1.00 0.00 C ATOM 13 OG SER A 440 10.441 -6.131 -2.686 1.00 0.00 O ATOM 0 H SER A 440 11.483 -6.250 -5.786 1.00 0.00 H new ATOM 0 HA SER A 440 12.855 -4.981 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 440 11.548 -7.714 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 440 12.278 -6.813 -2.071 1.00 0.00 H new ATOM 0 HG SER A 440 10.572 -5.220 -2.350 1.00 0.00 H new ATOM 19 N GLU A 441 14.237 -6.298 -5.678 1.00 0.00 N ATOM 20 CA GLU A 441 15.427 -6.881 -6.293 1.00 0.00 C ATOM 21 C GLU A 441 16.692 -6.207 -5.752 1.00 0.00 C ATOM 22 O GLU A 441 17.718 -6.863 -5.607 1.00 0.00 O ATOM 23 CB GLU A 441 15.355 -6.833 -7.824 1.00 0.00 C ATOM 24 CG GLU A 441 14.957 -5.505 -8.490 1.00 0.00 C ATOM 25 CD GLU A 441 13.454 -5.233 -8.387 1.00 0.00 C ATOM 26 OE1 GLU A 441 12.630 -5.934 -9.017 1.00 0.00 O ATOM 27 OE2 GLU A 441 13.062 -4.363 -7.580 1.00 0.00 O ATOM 0 H GLU A 441 13.795 -5.589 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 441 15.470 -7.936 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.332 -7.121 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.646 -7.594 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 441 15.505 -4.687 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 441 15.250 -5.525 -9.540 1.00 0.00 H new ATOM 34 N THR A 442 16.608 -4.923 -5.415 1.00 0.00 N ATOM 35 CA THR A 442 17.675 -4.099 -4.851 1.00 0.00 C ATOM 36 C THR A 442 17.231 -3.527 -3.497 1.00 0.00 C ATOM 37 O THR A 442 18.045 -2.955 -2.774 1.00 0.00 O ATOM 38 CB THR A 442 18.120 -2.996 -5.839 1.00 0.00 C ATOM 39 OG1 THR A 442 17.045 -2.564 -6.659 1.00 0.00 O ATOM 40 CG2 THR A 442 19.218 -3.533 -6.753 1.00 0.00 C ATOM 0 H THR A 442 15.742 -4.398 -5.535 1.00 0.00 H new ATOM 0 HA THR A 442 18.551 -4.724 -4.680 1.00 0.00 H new ATOM 0 HB THR A 442 18.480 -2.156 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.360 -1.866 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.528 -2.752 -7.447 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.072 -3.844 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.839 -4.387 -7.314 1.00 0.00 H new ATOM 48 N CYS A 443 15.977 -3.758 -3.100 1.00 0.00 N ATOM 49 CA CYS A 443 15.389 -3.278 -1.857 1.00 0.00 C ATOM 50 C CYS A 443 14.874 -4.447 -1.015 1.00 0.00 C ATOM 51 O CYS A 443 14.432 -5.467 -1.546 1.00 0.00 O ATOM 52 CB CYS A 443 14.243 -2.327 -2.213 1.00 0.00 C ATOM 53 SG CYS A 443 14.705 -0.935 -3.282 1.00 0.00 S ATOM 0 H CYS A 443 15.323 -4.305 -3.660 1.00 0.00 H new ATOM 0 HA CYS A 443 16.141 -2.756 -1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.456 -2.899 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.819 -1.932 -1.290 1.00 0.00 H new ATOM 58 N ILE A 444 14.893 -4.294 0.310 1.00 0.00 N ATOM 59 CA ILE A 444 14.436 -5.281 1.274 1.00 0.00 C ATOM 60 C ILE A 444 13.566 -4.512 2.254 1.00 0.00 C ATOM 61 O ILE A 444 14.086 -3.841 3.141 1.00 0.00 O ATOM 62 CB ILE A 444 15.589 -5.989 2.028 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.589 -6.751 1.154 1.00 0.00 C ATOM 64 CG2 ILE A 444 15.002 -7.044 2.977 1.00 0.00 C ATOM 65 CD1 ILE A 444 17.691 -5.913 0.534 1.00 0.00 C ATOM 0 H ILE A 444 15.242 -3.444 0.752 1.00 0.00 H new ATOM 0 HA ILE A 444 13.902 -6.080 0.760 1.00 0.00 H new ATOM 0 HB ILE A 444 16.119 -5.174 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 444 17.049 -7.534 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.040 -7.247 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.811 -7.545 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.340 -6.560 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.438 -7.778 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 444 18.341 -6.552 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 444 17.250 -5.146 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 444 18.274 -5.438 1.323 1.00 0.00 H new ATOM 77 N TYR A 445 12.249 -4.584 2.113 1.00 0.00 N ATOM 78 CA TYR A 445 11.349 -3.886 3.022 1.00 0.00 C ATOM 79 C TYR A 445 10.787 -4.873 4.060 1.00 0.00 C ATOM 80 O TYR A 445 10.954 -6.093 3.945 1.00 0.00 O ATOM 81 CB TYR A 445 10.190 -3.264 2.239 1.00 0.00 C ATOM 82 CG TYR A 445 10.532 -2.668 0.893 1.00 0.00 C ATOM 83 CD1 TYR A 445 11.083 -1.380 0.796 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.157 -3.349 -0.278 1.00 0.00 C ATOM 85 CE1 TYR A 445 11.275 -0.794 -0.465 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.386 -2.791 -1.540 1.00 0.00 C ATOM 87 CZ TYR A 445 10.976 -1.515 -1.642 1.00 0.00 C ATOM 88 OH TYR A 445 11.235 -0.972 -2.857 1.00 0.00 O ATOM 0 H TYR A 445 11.781 -5.117 1.380 1.00 0.00 H new ATOM 0 HA TYR A 445 11.906 -3.098 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.428 -4.030 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.742 -2.484 2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 445 11.359 -0.841 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 445 9.685 -4.317 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.654 0.215 -0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.112 -3.335 -2.432 1.00 0.00 H new ATOM 0 HH TYR A 445 11.285 -1.683 -3.529 1.00 0.00 H new ATOM 98 N SER A 446 10.108 -4.344 5.074 1.00 0.00 N ATOM 99 CA SER A 446 9.444 -5.095 6.143 1.00 0.00 C ATOM 100 C SER A 446 8.022 -5.496 5.690 1.00 0.00 C ATOM 101 O SER A 446 7.637 -5.280 4.532 1.00 0.00 O ATOM 102 CB SER A 446 9.428 -4.247 7.426 1.00 0.00 C ATOM 103 OG SER A 446 9.191 -2.881 7.147 1.00 0.00 O ATOM 0 H SER A 446 9.999 -3.335 5.181 1.00 0.00 H new ATOM 0 HA SER A 446 9.989 -6.014 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.656 -4.620 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 446 10.381 -4.353 7.944 1.00 0.00 H new ATOM 0 HG SER A 446 8.725 -2.469 7.904 1.00 0.00 H new ATOM 109 N ASN A 447 7.257 -6.164 6.564 1.00 0.00 N ATOM 110 CA ASN A 447 5.888 -6.571 6.245 1.00 0.00 C ATOM 111 C ASN A 447 5.018 -5.314 6.226 1.00 0.00 C ATOM 112 O ASN A 447 5.158 -4.471 7.113 1.00 0.00 O ATOM 113 CB ASN A 447 5.328 -7.557 7.276 1.00 0.00 C ATOM 114 CG ASN A 447 3.890 -7.944 6.956 1.00 0.00 C ATOM 115 OD1 ASN A 447 2.971 -7.638 7.708 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.645 -8.629 5.855 1.00 0.00 N ATOM 0 H ASN A 447 7.567 -6.433 7.498 1.00 0.00 H new ATOM 0 HA ASN A 447 5.887 -7.074 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.950 -8.452 7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.373 -7.111 8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.690 -8.905 5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 447 4.411 -8.882 5.231 1.00 0.00 H new ATOM 123 N TRP A 448 4.137 -5.185 5.237 1.00 0.00 N ATOM 124 CA TRP A 448 3.249 -4.042 5.113 1.00 0.00 C ATOM 125 C TRP A 448 2.371 -3.886 6.349 1.00 0.00 C ATOM 126 O TRP A 448 1.746 -4.858 6.795 1.00 0.00 O ATOM 127 CB TRP A 448 2.329 -4.193 3.893 1.00 0.00 C ATOM 128 CG TRP A 448 2.906 -3.860 2.551 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.184 -4.737 1.561 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.199 -2.541 2.002 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.611 -4.059 0.439 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.617 -2.701 0.648 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.132 -1.222 2.496 1.00 0.00 C ATOM 134 CZ2 TRP A 448 3.995 -1.618 -0.155 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.544 -0.136 1.705 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.034 -0.338 0.409 1.00 0.00 C ATOM 0 H TRP A 448 4.022 -5.877 4.497 1.00 0.00 H new ATOM 0 HA TRP A 448 3.883 -3.163 4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.977 -5.224 3.862 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.454 -3.562 4.050 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.086 -5.810 1.637 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.887 -4.508 -0.434 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.760 -1.044 3.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.252 -1.768 -1.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.482 0.867 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.440 0.490 -0.153 1.00 0.00 H new ATOM 147 N SER A 449 2.354 -2.682 6.925 1.00 0.00 N ATOM 148 CA SER A 449 1.485 -2.447 8.061 1.00 0.00 C ATOM 149 C SER A 449 0.051 -2.484 7.495 1.00 0.00 C ATOM 150 O SER A 449 -0.160 -2.353 6.282 1.00 0.00 O ATOM 151 CB SER A 449 1.879 -1.163 8.793 1.00 0.00 C ATOM 152 OG SER A 449 2.874 -1.510 9.739 1.00 0.00 O ATOM 0 H SER A 449 2.915 -1.883 6.630 1.00 0.00 H new ATOM 0 HA SER A 449 1.569 -3.204 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 449 2.258 -0.420 8.091 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.014 -0.721 9.288 1.00 0.00 H new ATOM 0 HG SER A 449 3.154 -0.708 10.228 1.00 0.00 H new ATOM 158 N PRO A 450 -0.962 -2.701 8.341 1.00 0.00 N ATOM 159 CA PRO A 450 -2.331 -2.797 7.879 1.00 0.00 C ATOM 160 C PRO A 450 -2.823 -1.503 7.256 1.00 0.00 C ATOM 161 O PRO A 450 -2.364 -0.402 7.592 1.00 0.00 O ATOM 162 CB PRO A 450 -3.159 -3.230 9.087 1.00 0.00 C ATOM 163 CG PRO A 450 -2.312 -2.775 10.268 1.00 0.00 C ATOM 164 CD PRO A 450 -0.877 -2.860 9.776 1.00 0.00 C ATOM 0 HA PRO A 450 -2.422 -3.527 7.075 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.142 -2.759 9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.321 -4.308 9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.567 -1.759 10.569 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.470 -3.414 11.137 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.260 -2.081 10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.425 -3.816 10.041 1.00 0.00 H new ATOM 172 N TRP A 451 -3.785 -1.669 6.354 1.00 0.00 N ATOM 173 CA TRP A 451 -4.419 -0.583 5.644 1.00 0.00 C ATOM 174 C TRP A 451 -5.114 0.329 6.641 1.00 0.00 C ATOM 175 O TRP A 451 -5.713 -0.138 7.616 1.00 0.00 O ATOM 176 CB TRP A 451 -5.464 -1.145 4.671 1.00 0.00 C ATOM 177 CG TRP A 451 -4.936 -1.803 3.440 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.998 -3.117 3.137 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.281 -1.168 2.313 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.397 -3.341 1.911 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.907 -2.169 1.375 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.945 0.164 2.019 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.156 -1.859 0.234 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.221 0.494 0.864 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.796 -0.520 -0.006 1.00 0.00 C ATOM 0 H TRP A 451 -4.148 -2.587 6.096 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.665 -0.024 5.090 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.078 -1.868 5.209 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.122 -0.331 4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.448 -3.878 3.757 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.326 -4.254 1.462 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.250 0.949 2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.857 -2.637 -0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.991 1.526 0.645 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.189 -0.272 -0.865 1.00 0.00 H new ATOM 196 N SER A 452 -4.968 1.633 6.440 1.00 0.00 N ATOM 197 CA SER A 452 -5.629 2.616 7.276 1.00 0.00 C ATOM 198 C SER A 452 -7.077 2.683 6.765 1.00 0.00 C ATOM 199 O SER A 452 -7.536 1.843 5.978 1.00 0.00 O ATOM 200 CB SER A 452 -4.901 3.971 7.213 1.00 0.00 C ATOM 201 OG SER A 452 -4.946 4.507 5.906 1.00 0.00 O ATOM 0 H SER A 452 -4.392 2.032 5.698 1.00 0.00 H new ATOM 0 HA SER A 452 -5.614 2.343 8.331 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.361 4.669 7.913 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.864 3.846 7.524 1.00 0.00 H new ATOM 0 HG SER A 452 -4.361 3.985 5.318 1.00 0.00 H new ATOM 207 N ALA A 453 -7.809 3.679 7.233 1.00 0.00 N ATOM 208 CA ALA A 453 -9.179 3.905 6.845 1.00 0.00 C ATOM 209 C ALA A 453 -9.307 4.175 5.346 1.00 0.00 C ATOM 210 O ALA A 453 -8.437 4.815 4.737 1.00 0.00 O ATOM 211 CB ALA A 453 -9.618 5.150 7.591 1.00 0.00 C ATOM 0 H ALA A 453 -7.457 4.361 7.904 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.782 3.026 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.654 5.378 7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.534 4.980 8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.982 5.988 7.306 1.00 0.00 H new ATOM 217 N CYS A 454 -10.409 3.710 4.764 1.00 0.00 N ATOM 218 CA CYS A 454 -10.720 3.915 3.364 1.00 0.00 C ATOM 219 C CYS A 454 -10.958 5.404 3.173 1.00 0.00 C ATOM 220 O CYS A 454 -11.655 6.036 3.970 1.00 0.00 O ATOM 221 CB CYS A 454 -12.009 3.175 2.981 1.00 0.00 C ATOM 222 SG CYS A 454 -11.770 1.589 2.158 1.00 0.00 S ATOM 0 H CYS A 454 -11.117 3.173 5.264 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.903 3.543 2.746 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.597 3.012 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.598 3.819 2.329 1.00 0.00 H new ATOM 227 N SER A 455 -10.399 5.951 2.097 1.00 0.00 N ATOM 228 CA SER A 455 -10.578 7.363 1.772 1.00 0.00 C ATOM 229 C SER A 455 -12.090 7.593 1.571 1.00 0.00 C ATOM 230 O SER A 455 -12.635 8.623 1.978 1.00 0.00 O ATOM 231 CB SER A 455 -9.725 7.683 0.544 1.00 0.00 C ATOM 232 OG SER A 455 -9.645 9.062 0.261 1.00 0.00 O ATOM 0 H SER A 455 -9.818 5.437 1.435 1.00 0.00 H new ATOM 0 HA SER A 455 -10.246 8.038 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.719 7.292 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.139 7.166 -0.321 1.00 0.00 H new ATOM 0 HG SER A 455 -9.086 9.201 -0.532 1.00 0.00 H new ATOM 238 N SER A 456 -12.777 6.627 0.951 1.00 0.00 N ATOM 239 CA SER A 456 -14.207 6.675 0.729 1.00 0.00 C ATOM 240 C SER A 456 -14.898 6.208 2.004 1.00 0.00 C ATOM 241 O SER A 456 -14.792 5.042 2.390 1.00 0.00 O ATOM 242 CB SER A 456 -14.605 5.780 -0.437 1.00 0.00 C ATOM 243 OG SER A 456 -14.296 6.470 -1.618 1.00 0.00 O ATOM 0 H SER A 456 -12.338 5.781 0.588 1.00 0.00 H new ATOM 0 HA SER A 456 -14.507 7.694 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.068 4.832 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.669 5.546 -0.396 1.00 0.00 H new ATOM 0 HG SER A 456 -15.008 6.327 -2.276 1.00 0.00 H new ATOM 249 N SER A 457 -15.562 7.140 2.674 1.00 0.00 N ATOM 250 CA SER A 457 -16.311 6.902 3.893 1.00 0.00 C ATOM 251 C SER A 457 -17.683 6.289 3.554 1.00 0.00 C ATOM 252 O SER A 457 -18.380 5.801 4.448 1.00 0.00 O ATOM 253 CB SER A 457 -16.452 8.243 4.614 1.00 0.00 C ATOM 254 OG SER A 457 -15.166 8.748 4.929 1.00 0.00 O ATOM 0 H SER A 457 -15.593 8.113 2.371 1.00 0.00 H new ATOM 0 HA SER A 457 -15.797 6.193 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 457 -16.988 8.952 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.038 8.119 5.524 1.00 0.00 H new ATOM 0 HG SER A 457 -15.256 9.608 5.390 1.00 0.00 H new ATOM 260 N THR A 458 -18.056 6.274 2.271 1.00 0.00 N ATOM 261 CA THR A 458 -19.291 5.743 1.717 1.00 0.00 C ATOM 262 C THR A 458 -18.943 4.589 0.775 1.00 0.00 C ATOM 263 O THR A 458 -17.766 4.334 0.510 1.00 0.00 O ATOM 264 CB THR A 458 -20.043 6.884 1.012 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.205 7.547 0.084 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.534 7.912 2.035 1.00 0.00 C ATOM 0 H THR A 458 -17.454 6.663 1.545 1.00 0.00 H new ATOM 0 HA THR A 458 -19.948 5.349 2.492 1.00 0.00 H new ATOM 0 HB THR A 458 -20.890 6.441 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 458 -19.469 8.489 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.064 8.713 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.207 7.428 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.681 8.328 2.571 1.00 0.00 H new ATOM 274 N CYS A 459 -19.943 3.863 0.276 1.00 0.00 N ATOM 275 CA CYS A 459 -19.754 2.736 -0.638 1.00 0.00 C ATOM 276 C CYS A 459 -19.132 3.172 -1.978 1.00 0.00 C ATOM 277 O CYS A 459 -18.770 2.325 -2.794 1.00 0.00 O ATOM 278 CB CYS A 459 -21.102 2.010 -0.764 1.00 0.00 C ATOM 279 SG CYS A 459 -21.318 0.592 -1.881 1.00 0.00 S ATOM 0 H CYS A 459 -20.922 4.044 0.498 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.023 2.032 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.373 1.670 0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.838 2.758 -1.056 1.00 0.00 H new ATOM 284 N GLU A 460 -18.982 4.475 -2.230 1.00 0.00 N ATOM 285 CA GLU A 460 -18.384 5.014 -3.440 1.00 0.00 C ATOM 286 C GLU A 460 -16.940 4.504 -3.551 1.00 0.00 C ATOM 287 O GLU A 460 -16.297 4.160 -2.554 1.00 0.00 O ATOM 288 CB GLU A 460 -18.398 6.544 -3.378 1.00 0.00 C ATOM 289 CG GLU A 460 -19.805 7.150 -3.508 1.00 0.00 C ATOM 290 CD GLU A 460 -19.906 8.504 -2.807 1.00 0.00 C ATOM 291 OE1 GLU A 460 -19.130 9.418 -3.158 1.00 0.00 O ATOM 292 OE2 GLU A 460 -20.752 8.658 -1.896 1.00 0.00 O ATOM 0 H GLU A 460 -19.283 5.198 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.951 4.691 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -17.958 6.866 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.766 6.938 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.054 7.267 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.537 6.464 -3.082 1.00 0.00 H new ATOM 299 N LYS A 461 -16.401 4.465 -4.771 1.00 0.00 N ATOM 300 CA LYS A 461 -15.036 3.991 -4.971 1.00 0.00 C ATOM 301 C LYS A 461 -14.041 4.998 -4.426 1.00 0.00 C ATOM 302 O LYS A 461 -14.203 6.206 -4.620 1.00 0.00 O ATOM 303 CB LYS A 461 -14.755 3.713 -6.452 1.00 0.00 C ATOM 304 CG LYS A 461 -15.554 2.510 -6.956 1.00 0.00 C ATOM 305 CD LYS A 461 -15.036 1.173 -6.419 1.00 0.00 C ATOM 306 CE LYS A 461 -15.900 0.025 -6.945 1.00 0.00 C ATOM 307 NZ LYS A 461 -15.660 -0.253 -8.377 1.00 0.00 N ATOM 0 H LYS A 461 -16.883 4.752 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.924 3.054 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.008 4.593 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.690 3.529 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.598 2.630 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.524 2.493 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.999 1.027 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -15.051 1.180 -5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.696 -0.875 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -16.952 0.269 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -16.218 -1.081 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -15.943 0.572 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -14.649 -0.446 -8.529 1.00 0.00 H new ATOM 321 N GLY A 462 -12.985 4.464 -3.832 1.00 0.00 N ATOM 322 CA GLY A 462 -11.885 5.191 -3.222 1.00 0.00 C ATOM 323 C GLY A 462 -10.678 4.276 -3.133 1.00 0.00 C ATOM 324 O GLY A 462 -10.600 3.273 -3.853 1.00 0.00 O ATOM 0 H GLY A 462 -12.867 3.453 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -11.645 6.075 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.168 5.538 -2.228 1.00 0.00 H new ATOM 328 N LYS A 463 -9.725 4.613 -2.269 1.00 0.00 N ATOM 329 CA LYS A 463 -8.501 3.852 -2.032 1.00 0.00 C ATOM 330 C LYS A 463 -8.127 3.939 -0.562 1.00 0.00 C ATOM 331 O LYS A 463 -8.547 4.852 0.147 1.00 0.00 O ATOM 332 CB LYS A 463 -7.321 4.417 -2.860 1.00 0.00 C ATOM 333 CG LYS A 463 -7.319 3.961 -4.324 1.00 0.00 C ATOM 334 CD LYS A 463 -6.239 4.657 -5.153 1.00 0.00 C ATOM 335 CE LYS A 463 -6.356 4.246 -6.627 1.00 0.00 C ATOM 336 NZ LYS A 463 -5.622 5.172 -7.512 1.00 0.00 N ATOM 0 H LYS A 463 -9.785 5.453 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.687 2.820 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.355 5.506 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.384 4.114 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -7.165 2.883 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.296 4.161 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.339 5.738 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.252 4.395 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.968 3.236 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -7.407 4.223 -6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -5.724 4.862 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -6.009 6.132 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -4.615 5.175 -7.252 1.00 0.00 H new ATOM 350 N ARG A 464 -7.350 2.968 -0.096 1.00 0.00 N ATOM 351 CA ARG A 464 -6.825 2.908 1.263 1.00 0.00 C ATOM 352 C ARG A 464 -5.368 3.350 1.165 1.00 0.00 C ATOM 353 O ARG A 464 -4.806 3.388 0.070 1.00 0.00 O ATOM 354 CB ARG A 464 -6.901 1.475 1.800 1.00 0.00 C ATOM 355 CG ARG A 464 -8.347 1.044 1.971 1.00 0.00 C ATOM 356 CD ARG A 464 -8.503 -0.452 2.188 1.00 0.00 C ATOM 357 NE ARG A 464 -8.174 -1.270 0.996 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.127 -2.612 0.988 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.385 -3.311 2.083 1.00 0.00 N ATOM 360 NH2 ARG A 464 -7.813 -3.286 -0.118 1.00 0.00 N ATOM 0 H ARG A 464 -7.059 2.177 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.397 3.542 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.392 0.797 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.381 1.411 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.780 1.575 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.914 1.338 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.862 -0.758 3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.530 -0.661 2.487 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.970 -0.781 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.624 -2.830 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -8.345 -4.330 2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.603 -2.782 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -7.783 -4.305 -0.103 1.00 0.00 H new ATOM 374 N MET A 465 -4.736 3.616 2.302 1.00 0.00 N ATOM 375 CA MET A 465 -3.342 4.037 2.401 1.00 0.00 C ATOM 376 C MET A 465 -2.662 3.135 3.430 1.00 0.00 C ATOM 377 O MET A 465 -3.300 2.808 4.439 1.00 0.00 O ATOM 378 CB MET A 465 -3.323 5.508 2.842 1.00 0.00 C ATOM 379 CG MET A 465 -1.913 6.070 3.010 1.00 0.00 C ATOM 380 SD MET A 465 -1.860 7.700 3.779 1.00 0.00 S ATOM 381 CE MET A 465 -0.090 7.758 4.152 1.00 0.00 C ATOM 0 H MET A 465 -5.194 3.542 3.210 1.00 0.00 H new ATOM 0 HA MET A 465 -2.813 3.953 1.452 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.860 6.107 2.107 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.860 5.604 3.786 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.326 5.376 3.612 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.436 6.126 2.031 1.00 0.00 H new ATOM 0 HE1 MET A 465 0.148 8.704 4.639 1.00 0.00 H new ATOM 0 HE2 MET A 465 0.169 6.933 4.815 1.00 0.00 H new ATOM 0 HE3 MET A 465 0.480 7.672 3.227 1.00 0.00 H new ATOM 391 N ARG A 466 -1.427 2.687 3.181 1.00 0.00 N ATOM 392 CA ARG A 466 -0.639 1.843 4.082 1.00 0.00 C ATOM 393 C ARG A 466 0.829 2.145 3.840 1.00 0.00 C ATOM 394 O ARG A 466 1.190 2.515 2.722 1.00 0.00 O ATOM 395 CB ARG A 466 -0.887 0.338 3.863 1.00 0.00 C ATOM 396 CG ARG A 466 -0.309 -0.201 2.545 1.00 0.00 C ATOM 397 CD ARG A 466 -0.557 -1.701 2.425 1.00 0.00 C ATOM 398 NE ARG A 466 -0.094 -2.211 1.126 1.00 0.00 N ATOM 399 CZ ARG A 466 0.059 -3.490 0.772 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.232 -4.477 1.612 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.516 -3.760 -0.443 1.00 0.00 N ATOM 0 H ARG A 466 -0.933 2.910 2.317 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.938 2.068 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.451 -0.217 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.960 0.150 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.766 0.317 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.761 0.001 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 466 -0.040 -2.224 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.621 -1.908 2.542 1.00 0.00 H new ATOM 0 HE ARG A 466 0.135 -1.513 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.580 -4.265 2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.108 -5.447 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.742 -2.999 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.642 -4.729 -0.737 1.00 0.00 H new ATOM 415 N GLN A 467 1.676 1.931 4.837 1.00 0.00 N ATOM 416 CA GLN A 467 3.099 2.174 4.694 1.00 0.00 C ATOM 417 C GLN A 467 3.892 1.036 5.331 1.00 0.00 C ATOM 418 O GLN A 467 3.341 0.162 6.009 1.00 0.00 O ATOM 419 CB GLN A 467 3.458 3.598 5.173 1.00 0.00 C ATOM 420 CG GLN A 467 3.235 3.915 6.660 1.00 0.00 C ATOM 421 CD GLN A 467 4.300 3.337 7.591 1.00 0.00 C ATOM 422 OE1 GLN A 467 3.981 2.691 8.584 1.00 0.00 O ATOM 423 NE2 GLN A 467 5.572 3.580 7.344 1.00 0.00 N ATOM 0 H GLN A 467 1.398 1.588 5.756 1.00 0.00 H new ATOM 0 HA GLN A 467 3.390 2.163 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.508 3.777 4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 467 2.877 4.309 4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 467 3.205 4.997 6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 467 2.260 3.531 6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 467 5.838 4.117 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 467 6.290 3.231 7.978 1.00 0.00 H new ATOM 432 N ARG A 468 5.188 0.996 5.046 1.00 0.00 N ATOM 433 CA ARG A 468 6.134 0.018 5.571 1.00 0.00 C ATOM 434 C ARG A 468 7.468 0.715 5.804 1.00 0.00 C ATOM 435 O ARG A 468 7.537 1.942 5.769 1.00 0.00 O ATOM 436 CB ARG A 468 6.190 -1.255 4.703 1.00 0.00 C ATOM 437 CG ARG A 468 6.709 -1.117 3.267 1.00 0.00 C ATOM 438 CD ARG A 468 6.694 -2.510 2.609 1.00 0.00 C ATOM 439 NE ARG A 468 6.606 -2.529 1.133 1.00 0.00 N ATOM 440 CZ ARG A 468 7.232 -1.813 0.192 1.00 0.00 C ATOM 441 NH1 ARG A 468 8.165 -0.942 0.533 1.00 0.00 N ATOM 442 NH2 ARG A 468 6.932 -1.964 -1.093 1.00 0.00 N ATOM 0 H ARG A 468 5.626 1.670 4.418 1.00 0.00 H new ATOM 0 HA ARG A 468 5.803 -0.362 6.538 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.816 -1.984 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.185 -1.674 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.084 -0.424 2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.719 -0.708 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.599 -3.040 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.850 -3.071 3.011 1.00 0.00 H new ATOM 0 HE ARG A 468 5.947 -3.214 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 468 8.409 -0.815 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 468 8.641 -0.397 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 468 6.215 -2.633 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.418 -1.411 -1.799 1.00 0.00 H new ATOM 456 N MET A 469 8.533 -0.045 6.024 1.00 0.00 N ATOM 457 CA MET A 469 9.863 0.481 6.267 1.00 0.00 C ATOM 458 C MET A 469 10.863 -0.305 5.409 1.00 0.00 C ATOM 459 O MET A 469 10.552 -1.389 4.903 1.00 0.00 O ATOM 460 CB MET A 469 10.078 0.410 7.789 1.00 0.00 C ATOM 461 CG MET A 469 11.400 0.964 8.308 1.00 0.00 C ATOM 462 SD MET A 469 11.530 0.782 10.101 1.00 0.00 S ATOM 463 CE MET A 469 13.098 1.643 10.342 1.00 0.00 C ATOM 0 H MET A 469 8.492 -1.064 6.038 1.00 0.00 H new ATOM 0 HA MET A 469 10.004 1.520 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.266 0.950 8.275 1.00 0.00 H new ATOM 0 HB3 MET A 469 9.998 -0.632 8.098 1.00 0.00 H new ATOM 0 HG2 MET A 469 12.228 0.444 7.827 1.00 0.00 H new ATOM 0 HG3 MET A 469 11.486 2.017 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 469 13.356 1.639 11.401 1.00 0.00 H new ATOM 0 HE2 MET A 469 13.881 1.138 9.776 1.00 0.00 H new ATOM 0 HE3 MET A 469 13.005 2.672 9.995 1.00 0.00 H new ATOM 473 N LEU A 470 12.049 0.260 5.194 1.00 0.00 N ATOM 474 CA LEU A 470 13.152 -0.296 4.420 1.00 0.00 C ATOM 475 C LEU A 470 14.154 -0.938 5.389 1.00 0.00 C ATOM 476 O LEU A 470 14.941 -0.245 6.037 1.00 0.00 O ATOM 477 CB LEU A 470 13.750 0.824 3.537 1.00 0.00 C ATOM 478 CG LEU A 470 14.857 0.435 2.532 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.215 0.204 3.191 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.476 -0.733 1.630 1.00 0.00 C ATOM 0 H LEU A 470 12.278 1.176 5.581 1.00 0.00 H new ATOM 0 HA LEU A 470 12.827 -1.085 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.934 1.280 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.152 1.592 4.197 1.00 0.00 H new ATOM 0 HG LEU A 470 14.958 1.309 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.947 -0.066 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.535 1.116 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 470 16.134 -0.603 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.300 -0.951 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 470 14.267 -1.611 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.589 -0.473 1.053 1.00 0.00 H new ATOM 492 N LYS A 471 14.105 -2.268 5.504 1.00 0.00 N ATOM 493 CA LYS A 471 14.976 -3.078 6.356 1.00 0.00 C ATOM 494 C LYS A 471 16.418 -2.965 5.850 1.00 0.00 C ATOM 495 O LYS A 471 17.344 -2.697 6.618 1.00 0.00 O ATOM 496 CB LYS A 471 14.529 -4.560 6.329 1.00 0.00 C ATOM 497 CG LYS A 471 13.377 -4.980 7.254 1.00 0.00 C ATOM 498 CD LYS A 471 13.299 -6.513 7.419 1.00 0.00 C ATOM 499 CE LYS A 471 13.130 -7.237 6.072 1.00 0.00 C ATOM 500 NZ LYS A 471 13.459 -8.680 6.114 1.00 0.00 N ATOM 0 H LYS A 471 13.431 -2.831 4.985 1.00 0.00 H new ATOM 0 HA LYS A 471 14.913 -2.714 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.243 -4.804 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.395 -5.175 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.509 -4.516 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.434 -4.610 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 471 14.204 -6.870 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.463 -6.764 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 471 12.100 -7.120 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.764 -6.753 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.320 -9.095 5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 14.450 -8.802 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 12.838 -9.158 6.797 1.00 0.00 H new ATOM 514 N ALA A 472 16.637 -3.224 4.558 1.00 0.00 N ATOM 515 CA ALA A 472 17.948 -3.166 3.924 1.00 0.00 C ATOM 516 C ALA A 472 17.805 -2.860 2.436 1.00 0.00 C ATOM 517 O ALA A 472 16.699 -2.850 1.901 1.00 0.00 O ATOM 518 CB ALA A 472 18.666 -4.510 4.130 1.00 0.00 C ATOM 0 H ALA A 472 15.890 -3.485 3.914 1.00 0.00 H new ATOM 0 HA ALA A 472 18.536 -2.369 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.648 -4.474 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.783 -4.700 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 472 18.077 -5.310 3.681 1.00 0.00 H new ATOM 524 N GLN A 473 18.919 -2.622 1.753 1.00 0.00 N ATOM 525 CA GLN A 473 18.977 -2.328 0.329 1.00 0.00 C ATOM 526 C GLN A 473 20.352 -2.777 -0.173 1.00 0.00 C ATOM 527 O GLN A 473 21.339 -2.616 0.548 1.00 0.00 O ATOM 528 CB GLN A 473 18.716 -0.821 0.095 1.00 0.00 C ATOM 529 CG GLN A 473 19.809 0.076 0.697 1.00 0.00 C ATOM 530 CD GLN A 473 19.355 1.517 0.890 1.00 0.00 C ATOM 531 OE1 GLN A 473 18.905 1.897 1.969 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.500 2.357 -0.112 1.00 0.00 N ATOM 0 H GLN A 473 19.839 -2.629 2.193 1.00 0.00 H new ATOM 0 HA GLN A 473 18.208 -2.862 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.647 -0.632 -0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.753 -0.553 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.119 -0.334 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.684 0.060 0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.875 2.029 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.238 3.336 0.001 1.00 0.00 H new ATOM 541 N LEU A 474 20.406 -3.357 -1.373 1.00 0.00 N ATOM 542 CA LEU A 474 21.618 -3.829 -2.046 1.00 0.00 C ATOM 543 C LEU A 474 22.386 -2.652 -2.638 1.00 0.00 C ATOM 544 O LEU A 474 23.552 -2.792 -3.010 1.00 0.00 O ATOM 545 CB LEU A 474 21.249 -4.703 -3.261 1.00 0.00 C ATOM 546 CG LEU A 474 20.996 -6.184 -2.974 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.720 -6.397 -2.173 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.908 -6.951 -4.295 1.00 0.00 C ATOM 0 H LEU A 474 19.566 -3.518 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 474 22.201 -4.375 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.355 -4.286 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 474 22.052 -4.628 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 474 21.828 -6.556 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.578 -7.462 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.797 -5.873 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 474 18.870 -6.008 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.728 -8.007 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 474 20.089 -6.552 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.844 -6.842 -4.842 1.00 0.00 H new ATOM 560 N ASP A 475 21.729 -1.502 -2.753 1.00 0.00 N ATOM 561 CA ASP A 475 22.265 -0.288 -3.322 1.00 0.00 C ATOM 562 C ASP A 475 22.082 0.838 -2.324 1.00 0.00 C ATOM 563 O ASP A 475 21.066 1.531 -2.338 1.00 0.00 O ATOM 564 CB ASP A 475 21.550 -0.033 -4.661 1.00 0.00 C ATOM 565 CG ASP A 475 22.329 -0.575 -5.849 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.537 -0.273 -5.967 1.00 0.00 O ATOM 567 OD2 ASP A 475 21.690 -1.203 -6.723 1.00 0.00 O ATOM 0 H ASP A 475 20.766 -1.395 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 475 23.333 -0.364 -3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 475 20.563 -0.495 -4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.397 1.039 -4.789 1.00 0.00 H new ATOM 572 N LEU A 476 23.051 1.023 -1.425 1.00 0.00 N ATOM 573 CA LEU A 476 22.998 2.084 -0.421 1.00 0.00 C ATOM 574 C LEU A 476 22.895 3.453 -1.096 1.00 0.00 C ATOM 575 O LEU A 476 22.264 4.350 -0.538 1.00 0.00 O ATOM 576 CB LEU A 476 24.207 2.019 0.531 1.00 0.00 C ATOM 577 CG LEU A 476 23.940 1.313 1.876 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.882 2.031 2.726 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.583 -0.165 1.714 1.00 0.00 C ATOM 0 H LEU A 476 23.889 0.444 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 476 22.104 1.934 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.023 1.504 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.547 3.035 0.732 1.00 0.00 H new ATOM 0 HG LEU A 476 24.887 1.365 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.736 1.489 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.217 3.045 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.940 2.070 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.407 -0.606 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.682 -0.257 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.405 -0.686 1.224 1.00 0.00 H new ATOM 591 N SER A 477 23.447 3.609 -2.301 1.00 0.00 N ATOM 592 CA SER A 477 23.403 4.858 -3.051 1.00 0.00 C ATOM 593 C SER A 477 22.016 5.173 -3.626 1.00 0.00 C ATOM 594 O SER A 477 21.822 6.253 -4.188 1.00 0.00 O ATOM 595 CB SER A 477 24.458 4.828 -4.168 1.00 0.00 C ATOM 596 OG SER A 477 24.926 6.138 -4.426 1.00 0.00 O ATOM 0 H SER A 477 23.942 2.861 -2.786 1.00 0.00 H new ATOM 0 HA SER A 477 23.627 5.661 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 477 25.290 4.186 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.028 4.401 -5.074 1.00 0.00 H new ATOM 0 HG SER A 477 25.599 6.111 -5.138 1.00 0.00 H new ATOM 602 N VAL A 478 21.037 4.276 -3.498 1.00 0.00 N ATOM 603 CA VAL A 478 19.701 4.478 -4.028 1.00 0.00 C ATOM 604 C VAL A 478 18.690 4.047 -2.967 1.00 0.00 C ATOM 605 O VAL A 478 18.460 2.850 -2.808 1.00 0.00 O ATOM 606 CB VAL A 478 19.572 3.699 -5.350 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.160 3.770 -5.953 1.00 0.00 C ATOM 608 CG2 VAL A 478 20.557 4.240 -6.395 1.00 0.00 C ATOM 0 H VAL A 478 21.157 3.384 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 478 19.503 5.526 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 478 19.794 2.661 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.133 3.202 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.442 3.349 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 478 17.903 4.810 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.450 3.676 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.345 5.292 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 478 21.576 4.136 -6.023 1.00 0.00 H new ATOM 618 N PRO A 479 18.138 4.979 -2.167 1.00 0.00 N ATOM 619 CA PRO A 479 17.145 4.618 -1.171 1.00 0.00 C ATOM 620 C PRO A 479 15.905 4.103 -1.891 1.00 0.00 C ATOM 621 O PRO A 479 15.683 4.406 -3.071 1.00 0.00 O ATOM 622 CB PRO A 479 16.828 5.882 -0.382 1.00 0.00 C ATOM 623 CG PRO A 479 17.246 7.017 -1.315 1.00 0.00 C ATOM 624 CD PRO A 479 18.324 6.418 -2.224 1.00 0.00 C ATOM 0 HA PRO A 479 17.501 3.839 -0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.769 5.941 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.380 5.914 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.399 7.380 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.634 7.866 -0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.222 6.785 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.321 6.697 -1.883 1.00 0.00 H new ATOM 632 N CYS A 480 15.058 3.400 -1.144 1.00 0.00 N ATOM 633 CA CYS A 480 13.848 2.810 -1.671 1.00 0.00 C ATOM 634 C CYS A 480 12.583 3.436 -1.069 1.00 0.00 C ATOM 635 O CYS A 480 11.969 2.837 -0.183 1.00 0.00 O ATOM 636 CB CYS A 480 13.911 1.298 -1.451 1.00 0.00 C ATOM 637 SG CYS A 480 15.424 0.467 -2.006 1.00 0.00 S ATOM 0 H CYS A 480 15.200 3.227 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 480 13.784 3.015 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.784 1.102 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.063 0.842 -1.963 1.00 0.00 H new ATOM 642 N PRO A 481 12.131 4.599 -1.567 1.00 0.00 N ATOM 643 CA PRO A 481 10.937 5.314 -1.104 1.00 0.00 C ATOM 644 C PRO A 481 9.607 4.617 -1.412 1.00 0.00 C ATOM 645 O PRO A 481 8.541 5.190 -1.194 1.00 0.00 O ATOM 646 CB PRO A 481 10.993 6.686 -1.785 1.00 0.00 C ATOM 647 CG PRO A 481 11.721 6.356 -3.074 1.00 0.00 C ATOM 648 CD PRO A 481 12.780 5.382 -2.603 1.00 0.00 C ATOM 0 HA PRO A 481 10.956 5.367 -0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 481 9.999 7.093 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.532 7.419 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.057 5.909 -3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.159 7.243 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.125 4.748 -3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.654 5.905 -2.214 1.00 0.00 H new ATOM 656 N ASP A 482 9.627 3.381 -1.895 1.00 0.00 N ATOM 657 CA ASP A 482 8.434 2.607 -2.219 1.00 0.00 C ATOM 658 C ASP A 482 7.735 2.069 -0.969 1.00 0.00 C ATOM 659 O ASP A 482 6.975 1.109 -1.051 1.00 0.00 O ATOM 660 CB ASP A 482 8.812 1.500 -3.217 1.00 0.00 C ATOM 661 CG ASP A 482 8.822 2.063 -4.639 1.00 0.00 C ATOM 662 OD1 ASP A 482 7.846 2.740 -5.039 1.00 0.00 O ATOM 663 OD2 ASP A 482 9.858 1.909 -5.326 1.00 0.00 O ATOM 0 H ASP A 482 10.494 2.876 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 482 7.700 3.261 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.793 1.095 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.101 0.677 -3.147 1.00 0.00 H new ATOM 668 N THR A 483 8.000 2.624 0.218 1.00 0.00 N ATOM 669 CA THR A 483 7.399 2.188 1.473 1.00 0.00 C ATOM 670 C THR A 483 5.976 2.719 1.675 1.00 0.00 C ATOM 671 O THR A 483 5.485 2.717 2.798 1.00 0.00 O ATOM 672 CB THR A 483 8.367 2.418 2.654 1.00 0.00 C ATOM 673 OG1 THR A 483 8.533 3.744 3.126 1.00 0.00 O ATOM 674 CG2 THR A 483 9.768 1.852 2.395 1.00 0.00 C ATOM 0 H THR A 483 8.650 3.402 0.331 1.00 0.00 H new ATOM 0 HA THR A 483 7.249 1.109 1.424 1.00 0.00 H new ATOM 0 HB THR A 483 7.840 1.874 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.168 3.748 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.403 2.044 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.701 0.777 2.225 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.197 2.332 1.516 1.00 0.00 H new ATOM 682 N GLN A 484 5.311 3.151 0.606 1.00 0.00 N ATOM 683 CA GLN A 484 3.961 3.688 0.591 1.00 0.00 C ATOM 684 C GLN A 484 3.171 2.976 -0.505 1.00 0.00 C ATOM 685 O GLN A 484 3.686 2.758 -1.610 1.00 0.00 O ATOM 686 CB GLN A 484 4.027 5.186 0.267 1.00 0.00 C ATOM 687 CG GLN A 484 4.700 6.056 1.335 1.00 0.00 C ATOM 688 CD GLN A 484 3.693 6.797 2.215 1.00 0.00 C ATOM 689 OE1 GLN A 484 2.669 7.303 1.757 1.00 0.00 O ATOM 690 NE2 GLN A 484 3.988 6.930 3.492 1.00 0.00 N ATOM 0 H GLN A 484 5.728 3.133 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 484 3.482 3.540 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.562 5.315 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 484 3.013 5.552 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.332 5.428 1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.353 6.781 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 484 4.838 6.508 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 484 3.366 7.455 4.107 1.00 0.00 H new ATOM 699 N ASP A 485 1.929 2.593 -0.218 1.00 0.00 N ATOM 700 CA ASP A 485 1.063 1.924 -1.190 1.00 0.00 C ATOM 701 C ASP A 485 -0.376 2.394 -1.057 1.00 0.00 C ATOM 702 O ASP A 485 -0.790 2.840 0.016 1.00 0.00 O ATOM 703 CB ASP A 485 1.189 0.403 -1.073 1.00 0.00 C ATOM 704 CG ASP A 485 0.506 -0.356 -2.200 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.595 0.113 -3.355 1.00 0.00 O ATOM 706 OD2 ASP A 485 -0.035 -1.454 -1.938 1.00 0.00 O ATOM 0 H ASP A 485 1.494 2.737 0.693 1.00 0.00 H new ATOM 0 HA ASP A 485 1.393 2.199 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.245 0.135 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.763 0.084 -0.122 1.00 0.00 H new ATOM 711 N PHE A 486 -1.132 2.320 -2.152 1.00 0.00 N ATOM 712 CA PHE A 486 -2.518 2.741 -2.210 1.00 0.00 C ATOM 713 C PHE A 486 -3.235 1.724 -3.072 1.00 0.00 C ATOM 714 O PHE A 486 -2.760 1.424 -4.163 1.00 0.00 O ATOM 715 CB PHE A 486 -2.631 4.146 -2.824 1.00 0.00 C ATOM 716 CG PHE A 486 -2.085 5.263 -1.956 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.706 5.561 -1.956 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.961 6.008 -1.143 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.199 6.564 -1.111 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.456 7.030 -0.320 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.075 7.292 -0.287 1.00 0.00 C ATOM 0 H PHE A 486 -0.784 1.957 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.957 2.793 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.103 4.154 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.680 4.351 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.038 5.017 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.020 5.794 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.860 6.774 -1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.130 7.615 0.288 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.686 8.054 0.373 1.00 0.00 H new ATOM 731 N GLN A 487 -4.335 1.145 -2.597 1.00 0.00 N ATOM 732 CA GLN A 487 -5.098 0.159 -3.356 1.00 0.00 C ATOM 733 C GLN A 487 -6.579 0.520 -3.275 1.00 0.00 C ATOM 734 O GLN A 487 -6.999 1.058 -2.244 1.00 0.00 O ATOM 735 CB GLN A 487 -4.833 -1.261 -2.841 1.00 0.00 C ATOM 736 CG GLN A 487 -3.422 -1.790 -3.110 1.00 0.00 C ATOM 737 CD GLN A 487 -3.148 -1.917 -4.596 1.00 0.00 C ATOM 738 OE1 GLN A 487 -3.825 -2.664 -5.306 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.202 -1.146 -5.087 1.00 0.00 N ATOM 0 H GLN A 487 -4.722 1.346 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.783 0.175 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -5.015 -1.282 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.553 -1.939 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -2.690 -1.120 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.300 -2.762 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.663 -0.542 -4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -2.007 -1.153 -6.088 1.00 0.00 H new ATOM 748 N PRO A 488 -7.374 0.222 -4.321 1.00 0.00 N ATOM 749 CA PRO A 488 -8.791 0.549 -4.371 1.00 0.00 C ATOM 750 C PRO A 488 -9.581 -0.093 -3.240 1.00 0.00 C ATOM 751 O PRO A 488 -9.187 -1.126 -2.687 1.00 0.00 O ATOM 752 CB PRO A 488 -9.289 0.127 -5.758 1.00 0.00 C ATOM 753 CG PRO A 488 -8.265 -0.904 -6.214 1.00 0.00 C ATOM 754 CD PRO A 488 -6.975 -0.412 -5.566 1.00 0.00 C ATOM 0 HA PRO A 488 -8.942 1.618 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.291 -0.299 -5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.335 0.975 -6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.527 -1.908 -5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.184 -0.939 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.290 -1.239 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.456 0.293 -6.215 1.00 0.00 H new ATOM 762 N CYS A 489 -10.692 0.548 -2.889 1.00 0.00 N ATOM 763 CA CYS A 489 -11.601 0.115 -1.851 1.00 0.00 C ATOM 764 C CYS A 489 -12.945 0.823 -2.012 1.00 0.00 C ATOM 765 O CYS A 489 -13.153 1.614 -2.940 1.00 0.00 O ATOM 766 CB CYS A 489 -10.991 0.423 -0.476 1.00 0.00 C ATOM 767 SG CYS A 489 -11.292 2.074 0.231 1.00 0.00 S ATOM 0 H CYS A 489 -10.988 1.414 -3.340 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.764 -0.960 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -11.365 -0.318 0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -9.913 0.280 -0.547 1.00 0.00 H new ATOM 772 N MET A 490 -13.850 0.512 -1.090 1.00 0.00 N ATOM 773 CA MET A 490 -15.197 1.025 -0.944 1.00 0.00 C ATOM 774 C MET A 490 -15.410 1.114 0.568 1.00 0.00 C ATOM 775 O MET A 490 -14.820 0.317 1.308 1.00 0.00 O ATOM 776 CB MET A 490 -16.218 0.055 -1.547 1.00 0.00 C ATOM 777 CG MET A 490 -16.014 -0.212 -3.044 1.00 0.00 C ATOM 778 SD MET A 490 -17.033 -1.513 -3.803 1.00 0.00 S ATOM 779 CE MET A 490 -16.729 -2.904 -2.675 1.00 0.00 C ATOM 0 H MET A 490 -13.634 -0.169 -0.362 1.00 0.00 H new ATOM 0 HA MET A 490 -15.325 1.981 -1.452 1.00 0.00 H new ATOM 0 HB2 MET A 490 -16.167 -0.892 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.220 0.456 -1.393 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.199 0.718 -3.581 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.966 -0.468 -3.202 1.00 0.00 H new ATOM 0 HE1 MET A 490 -17.028 -3.835 -3.157 1.00 0.00 H new ATOM 0 HE2 MET A 490 -15.668 -2.947 -2.429 1.00 0.00 H new ATOM 0 HE3 MET A 490 -17.308 -2.765 -1.762 1.00 0.00 H new ATOM 789 N GLY A 491 -16.240 2.039 1.035 1.00 0.00 N ATOM 790 CA GLY A 491 -16.523 2.233 2.451 1.00 0.00 C ATOM 791 C GLY A 491 -17.398 1.133 3.069 1.00 0.00 C ATOM 792 O GLY A 491 -17.631 0.095 2.443 1.00 0.00 O ATOM 0 H GLY A 491 -16.744 2.687 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.580 2.282 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.019 3.195 2.584 1.00 0.00 H new ATOM 796 N PRO A 492 -17.871 1.351 4.311 1.00 0.00 N ATOM 797 CA PRO A 492 -18.702 0.403 5.043 1.00 0.00 C ATOM 798 C PRO A 492 -20.007 0.085 4.323 1.00 0.00 C ATOM 799 O PRO A 492 -20.449 0.826 3.441 1.00 0.00 O ATOM 800 CB PRO A 492 -18.976 1.044 6.407 1.00 0.00 C ATOM 801 CG PRO A 492 -18.782 2.529 6.144 1.00 0.00 C ATOM 802 CD PRO A 492 -17.658 2.540 5.117 1.00 0.00 C ATOM 0 HA PRO A 492 -18.185 -0.552 5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -19.985 0.827 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -18.288 0.678 7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -19.689 2.994 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -18.508 3.069 7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -17.691 3.442 4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -16.682 2.519 5.601 1.00 0.00 H new ATOM 810 N GLY A 493 -20.631 -1.032 4.706 1.00 0.00 N ATOM 811 CA GLY A 493 -21.883 -1.549 4.158 1.00 0.00 C ATOM 812 C GLY A 493 -21.782 -1.954 2.683 1.00 0.00 C ATOM 813 O GLY A 493 -22.710 -2.565 2.152 1.00 0.00 O ATOM 0 H GLY A 493 -20.256 -1.628 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -22.198 -2.413 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -22.659 -0.791 4.266 1.00 0.00 H new ATOM 817 N CYS A 494 -20.674 -1.631 2.014 1.00 0.00 N ATOM 818 CA CYS A 494 -20.401 -1.932 0.622 1.00 0.00 C ATOM 819 C CYS A 494 -19.661 -3.258 0.487 1.00 0.00 C ATOM 820 O CYS A 494 -19.599 -3.812 -0.608 1.00 0.00 O ATOM 821 CB CYS A 494 -19.503 -0.830 0.071 1.00 0.00 C ATOM 822 SG CYS A 494 -19.647 -0.534 -1.703 1.00 0.00 S ATOM 0 H CYS A 494 -19.907 -1.126 2.459 1.00 0.00 H new ATOM 0 HA CYS A 494 -21.344 -1.996 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -19.729 0.097 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -18.467 -1.081 0.298 1.00 0.00 H new ATOM 827 N SER A 495 -19.065 -3.751 1.574 1.00 0.00 N ATOM 828 CA SER A 495 -18.333 -4.995 1.604 1.00 0.00 C ATOM 829 C SER A 495 -19.011 -5.861 2.657 1.00 0.00 C ATOM 830 O SER A 495 -18.505 -6.043 3.767 1.00 0.00 O ATOM 831 CB SER A 495 -16.838 -4.731 1.832 1.00 0.00 C ATOM 832 OG SER A 495 -16.063 -5.858 1.464 1.00 0.00 O ATOM 0 H SER A 495 -19.085 -3.275 2.476 1.00 0.00 H new ATOM 0 HA SER A 495 -18.358 -5.533 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 495 -16.525 -3.864 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 495 -16.663 -4.491 2.881 1.00 0.00 H new ATOM 0 HG SER A 495 -15.114 -5.666 1.616 1.00 0.00 H new ATOM 838 N ASP A 496 -20.203 -6.373 2.333 1.00 0.00 N ATOM 839 CA ASP A 496 -20.959 -7.254 3.230 1.00 0.00 C ATOM 840 C ASP A 496 -20.227 -8.595 3.417 1.00 0.00 C ATOM 841 O ASP A 496 -20.680 -9.463 4.154 1.00 0.00 O ATOM 842 CB ASP A 496 -22.391 -7.451 2.739 1.00 0.00 C ATOM 843 CG ASP A 496 -23.277 -8.018 3.847 1.00 0.00 C ATOM 844 OD1 ASP A 496 -23.535 -7.299 4.844 1.00 0.00 O ATOM 845 OD2 ASP A 496 -23.824 -9.131 3.674 1.00 0.00 O ATOM 0 H ASP A 496 -20.670 -6.189 1.445 1.00 0.00 H new ATOM 0 HA ASP A 496 -21.023 -6.773 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -22.796 -6.499 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -22.396 -8.126 1.883 1.00 0.00 H new ATOM 850 N GLU A 497 -19.064 -8.738 2.774 1.00 0.00 N ATOM 851 CA GLU A 497 -18.104 -9.829 2.762 1.00 0.00 C ATOM 852 C GLU A 497 -17.700 -10.186 4.196 1.00 0.00 C ATOM 853 O GLU A 497 -17.328 -11.322 4.479 1.00 0.00 O ATOM 854 CB GLU A 497 -16.898 -9.272 1.974 1.00 0.00 C ATOM 855 CG GLU A 497 -15.570 -10.042 2.040 1.00 0.00 C ATOM 856 CD GLU A 497 -15.634 -11.458 1.476 1.00 0.00 C ATOM 857 OE1 GLU A 497 -16.678 -11.874 0.929 1.00 0.00 O ATOM 858 OE2 GLU A 497 -14.605 -12.176 1.530 1.00 0.00 O ATOM 0 H GLU A 497 -18.738 -7.984 2.170 1.00 0.00 H new ATOM 0 HA GLU A 497 -18.502 -10.739 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -17.189 -9.200 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -16.712 -8.257 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -14.811 -9.481 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -15.244 -10.092 3.079 1.00 0.00 H new ATOM 865 N ASP A 498 -17.756 -9.204 5.098 1.00 0.00 N ATOM 866 CA ASP A 498 -17.417 -9.352 6.507 1.00 0.00 C ATOM 867 C ASP A 498 -18.664 -9.444 7.384 1.00 0.00 C ATOM 868 O ASP A 498 -18.538 -9.770 8.565 1.00 0.00 O ATOM 869 CB ASP A 498 -16.595 -8.143 6.968 1.00 0.00 C ATOM 870 CG ASP A 498 -15.222 -8.034 6.320 1.00 0.00 C ATOM 871 OD1 ASP A 498 -14.580 -9.066 6.026 1.00 0.00 O ATOM 872 OD2 ASP A 498 -14.766 -6.877 6.123 1.00 0.00 O ATOM 0 H ASP A 498 -18.048 -8.257 4.857 1.00 0.00 H new ATOM 0 HA ASP A 498 -16.847 -10.275 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -17.157 -7.234 6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -16.470 -8.195 8.050 1.00 0.00 H new ATOM 877 N GLY A 499 -19.859 -9.201 6.850 1.00 0.00 N ATOM 878 CA GLY A 499 -21.126 -9.227 7.570 1.00 0.00 C ATOM 879 C GLY A 499 -21.576 -7.813 7.880 1.00 0.00 C ATOM 880 O GLY A 499 -20.858 -6.846 7.544 1.00 0.00 O ATOM 0 H GLY A 499 -19.973 -8.971 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -21.883 -9.735 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -21.017 -9.793 8.495 1.00 0.00 H new TER 884 GLY A 499