USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 516 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 519 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 531 TYR OH : rot 165:sc= 0 USER MOD Single : A 532 THR OG1 : rot -67:sc= 0.0651 USER MOD Single : A 542 HIS : no HD1:sc= 0.0648 X(o=0.065,f=-0.39) USER MOD Single : A 543 ASN : amide:sc= 1.17 K(o=1.2,f=-0.00012) USER MOD Single : A 544 THR OG1 : rot -41:sc= 0.234 USER MOD Single : A 547 THR OG1 : rot -170:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : B2319 ASN : amide:sc= -0.0102 X(o=-0.01,f=0.27) USER MOD Single : B2320 THR OG1 : rot 180:sc= 0 USER MOD Single : B2323 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B2324 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B2327 SER OG : rot 180:sc= 0 USER MOD Single : B2328 TYR OH : rot 180:sc= 0 USER MOD Single : B2331 CYS SG : rot 180:sc= 0 USER MOD Single : B2333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 515 28.700 2.598 -9.990 1.00 0.00 N ATOM 2 CA VAL A 515 29.546 3.830 -9.943 1.00 0.00 C ATOM 3 C VAL A 515 29.729 4.468 -11.329 1.00 0.00 C ATOM 4 O VAL A 515 29.331 5.615 -11.508 1.00 0.00 O ATOM 5 CB VAL A 515 30.899 3.599 -9.226 1.00 0.00 C ATOM 6 CG1 VAL A 515 31.767 4.867 -9.164 1.00 0.00 C ATOM 7 CG2 VAL A 515 30.681 3.148 -7.771 1.00 0.00 C ATOM 0 HA VAL A 515 28.996 4.549 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 515 31.406 2.834 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 515 32.702 4.643 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 515 31.982 5.211 -10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 515 31.233 5.647 -8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 515 31.647 2.993 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 515 30.126 3.915 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 515 30.116 2.216 -7.760 1.00 0.00 H new ATOM 17 N SER A 516 30.314 3.756 -12.300 1.00 0.00 N ATOM 18 CA SER A 516 30.942 4.284 -13.533 1.00 0.00 C ATOM 19 C SER A 516 30.155 5.302 -14.389 1.00 0.00 C ATOM 20 O SER A 516 30.778 6.156 -15.021 1.00 0.00 O ATOM 21 CB SER A 516 31.366 3.105 -14.416 1.00 0.00 C ATOM 22 OG SER A 516 32.027 2.104 -13.640 1.00 0.00 O ATOM 0 H SER A 516 30.369 2.739 -12.251 1.00 0.00 H new ATOM 0 HA SER A 516 31.775 4.877 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 516 30.490 2.675 -14.903 1.00 0.00 H new ATOM 0 HB3 SER A 516 32.029 3.456 -15.206 1.00 0.00 H new ATOM 0 HG SER A 516 32.288 1.359 -14.221 1.00 0.00 H new ATOM 28 N LEU A 517 28.816 5.250 -14.395 1.00 0.00 N ATOM 29 CA LEU A 517 27.935 6.234 -15.055 1.00 0.00 C ATOM 30 C LEU A 517 26.790 6.759 -14.154 1.00 0.00 C ATOM 31 O LEU A 517 25.803 7.311 -14.647 1.00 0.00 O ATOM 32 CB LEU A 517 27.440 5.699 -16.417 1.00 0.00 C ATOM 33 CG LEU A 517 26.408 4.551 -16.353 1.00 0.00 C ATOM 34 CD1 LEU A 517 25.351 4.711 -17.448 1.00 0.00 C ATOM 35 CD2 LEU A 517 27.068 3.182 -16.532 1.00 0.00 C ATOM 0 H LEU A 517 28.298 4.504 -13.930 1.00 0.00 H new ATOM 0 HA LEU A 517 28.543 7.118 -15.248 1.00 0.00 H new ATOM 0 HB2 LEU A 517 27.000 6.527 -16.973 1.00 0.00 H new ATOM 0 HB3 LEU A 517 28.303 5.355 -16.987 1.00 0.00 H new ATOM 0 HG LEU A 517 25.947 4.604 -15.367 1.00 0.00 H new ATOM 0 HD11 LEU A 517 24.635 3.892 -17.385 1.00 0.00 H new ATOM 0 HD12 LEU A 517 24.831 5.660 -17.316 1.00 0.00 H new ATOM 0 HD13 LEU A 517 25.834 4.696 -18.425 1.00 0.00 H new ATOM 0 HD21 LEU A 517 26.308 2.402 -16.481 1.00 0.00 H new ATOM 0 HD22 LEU A 517 27.565 3.141 -17.501 1.00 0.00 H new ATOM 0 HD23 LEU A 517 27.802 3.026 -15.742 1.00 0.00 H new ATOM 47 N ILE A 518 26.915 6.570 -12.833 1.00 0.00 N ATOM 48 CA ILE A 518 25.898 6.889 -11.807 1.00 0.00 C ATOM 49 C ILE A 518 26.508 7.729 -10.652 1.00 0.00 C ATOM 50 O ILE A 518 25.843 8.040 -9.663 1.00 0.00 O ATOM 51 CB ILE A 518 25.157 5.605 -11.315 1.00 0.00 C ATOM 52 CG1 ILE A 518 24.882 4.537 -12.409 1.00 0.00 C ATOM 53 CG2 ILE A 518 23.781 5.959 -10.714 1.00 0.00 C ATOM 54 CD1 ILE A 518 25.991 3.492 -12.588 1.00 0.00 C ATOM 0 H ILE A 518 27.763 6.174 -12.427 1.00 0.00 H new ATOM 0 HA ILE A 518 25.134 7.515 -12.268 1.00 0.00 H new ATOM 0 HB ILE A 518 25.847 5.183 -10.584 1.00 0.00 H new ATOM 0 HG12 ILE A 518 23.953 4.021 -12.166 1.00 0.00 H new ATOM 0 HG13 ILE A 518 24.725 5.045 -13.360 1.00 0.00 H new ATOM 0 HG21 ILE A 518 23.285 5.048 -10.379 1.00 0.00 H new ATOM 0 HG22 ILE A 518 23.916 6.631 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 518 23.168 6.448 -11.471 1.00 0.00 H new ATOM 0 HD11 ILE A 518 25.707 2.791 -13.373 1.00 0.00 H new ATOM 0 HD12 ILE A 518 26.920 3.991 -12.865 1.00 0.00 H new ATOM 0 HD13 ILE A 518 26.135 2.951 -11.653 1.00 0.00 H new ATOM 66 N ASN A 519 27.778 8.138 -10.776 1.00 0.00 N ATOM 67 CA ASN A 519 28.519 8.934 -9.783 1.00 0.00 C ATOM 68 C ASN A 519 29.360 10.067 -10.428 1.00 0.00 C ATOM 69 O ASN A 519 30.262 10.624 -9.802 1.00 0.00 O ATOM 70 CB ASN A 519 29.364 7.955 -8.939 1.00 0.00 C ATOM 71 CG ASN A 519 29.582 8.443 -7.516 1.00 0.00 C ATOM 72 OD1 ASN A 519 30.639 8.930 -7.142 1.00 0.00 O ATOM 73 ND2 ASN A 519 28.592 8.296 -6.661 1.00 0.00 N ATOM 0 H ASN A 519 28.339 7.917 -11.599 1.00 0.00 H new ATOM 0 HA ASN A 519 27.820 9.463 -9.135 1.00 0.00 H new ATOM 0 HB2 ASN A 519 28.870 6.984 -8.914 1.00 0.00 H new ATOM 0 HB3 ASN A 519 30.331 7.808 -9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 519 28.709 8.588 -5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 519 27.708 7.890 -6.969 1.00 0.00 H new ATOM 80 N GLU A 520 29.090 10.387 -11.699 1.00 0.00 N ATOM 81 CA GLU A 520 29.755 11.449 -12.476 1.00 0.00 C ATOM 82 C GLU A 520 29.237 12.869 -12.123 1.00 0.00 C ATOM 83 O GLU A 520 28.436 13.047 -11.198 1.00 0.00 O ATOM 84 CB GLU A 520 29.592 11.153 -13.982 1.00 0.00 C ATOM 85 CG GLU A 520 30.153 9.784 -14.397 1.00 0.00 C ATOM 86 CD GLU A 520 30.221 9.668 -15.932 1.00 0.00 C ATOM 87 OE1 GLU A 520 29.170 9.428 -16.574 1.00 0.00 O ATOM 88 OE2 GLU A 520 31.324 9.838 -16.509 1.00 0.00 O ATOM 0 H GLU A 520 28.376 9.897 -12.238 1.00 0.00 H new ATOM 0 HA GLU A 520 30.813 11.446 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 520 28.534 11.198 -14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 520 30.094 11.932 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 520 31.148 9.649 -13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 520 29.524 8.990 -13.994 1.00 0.00 H new ATOM 95 N GLY A 521 29.700 13.894 -12.852 1.00 0.00 N ATOM 96 CA GLY A 521 29.287 15.298 -12.690 1.00 0.00 C ATOM 97 C GLY A 521 27.791 15.587 -12.959 1.00 0.00 C ATOM 98 O GLY A 521 27.061 14.719 -13.455 1.00 0.00 O ATOM 0 H GLY A 521 30.391 13.767 -13.591 1.00 0.00 H new ATOM 0 HA2 GLY A 521 29.523 15.613 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 521 29.885 15.914 -13.362 1.00 0.00 H new ATOM 102 N PRO A 522 27.317 16.810 -12.643 1.00 0.00 N ATOM 103 CA PRO A 522 25.904 17.196 -12.739 1.00 0.00 C ATOM 104 C PRO A 522 25.403 17.311 -14.192 1.00 0.00 C ATOM 105 O PRO A 522 26.183 17.554 -15.119 1.00 0.00 O ATOM 106 CB PRO A 522 25.809 18.537 -12.001 1.00 0.00 C ATOM 107 CG PRO A 522 27.198 19.146 -12.184 1.00 0.00 C ATOM 108 CD PRO A 522 28.115 17.924 -12.145 1.00 0.00 C ATOM 0 HA PRO A 522 25.263 16.432 -12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 522 25.033 19.174 -12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 522 25.567 18.399 -10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 522 27.282 19.684 -13.128 1.00 0.00 H new ATOM 0 HG3 PRO A 522 27.436 19.855 -11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 522 28.999 18.079 -12.764 1.00 0.00 H new ATOM 0 HD3 PRO A 522 28.466 17.731 -11.131 1.00 0.00 H new ATOM 116 N LEU A 523 24.086 17.161 -14.388 1.00 0.00 N ATOM 117 CA LEU A 523 23.443 17.198 -15.712 1.00 0.00 C ATOM 118 C LEU A 523 23.047 18.635 -16.154 1.00 0.00 C ATOM 119 O LEU A 523 22.841 19.502 -15.295 1.00 0.00 O ATOM 120 CB LEU A 523 22.270 16.187 -15.735 1.00 0.00 C ATOM 121 CG LEU A 523 20.917 16.664 -15.152 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.802 16.498 -16.186 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.522 15.866 -13.909 1.00 0.00 C ATOM 0 H LEU A 523 23.428 17.009 -13.624 1.00 0.00 H new ATOM 0 HA LEU A 523 24.166 16.888 -16.466 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.105 15.884 -16.769 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.580 15.297 -15.187 1.00 0.00 H new ATOM 0 HG LEU A 523 21.044 17.713 -14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.858 16.838 -15.761 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.035 17.090 -17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.717 15.448 -16.464 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.567 16.231 -13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.430 14.811 -14.168 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.287 15.986 -13.141 1.00 0.00 H new ATOM 135 N PRO A 524 22.922 18.913 -17.469 1.00 0.00 N ATOM 136 CA PRO A 524 22.512 20.223 -17.994 1.00 0.00 C ATOM 137 C PRO A 524 21.032 20.575 -17.701 1.00 0.00 C ATOM 138 O PRO A 524 20.207 19.680 -17.493 1.00 0.00 O ATOM 139 CB PRO A 524 22.805 20.167 -19.500 1.00 0.00 C ATOM 140 CG PRO A 524 22.753 18.679 -19.830 1.00 0.00 C ATOM 141 CD PRO A 524 23.277 18.019 -18.561 1.00 0.00 C ATOM 0 HA PRO A 524 23.065 21.021 -17.499 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.066 20.729 -20.072 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.780 20.594 -19.733 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.739 18.354 -20.063 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.372 18.437 -20.694 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.831 17.035 -18.420 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.356 17.875 -18.613 1.00 0.00 H new ATOM 149 N PRO A 525 20.664 21.874 -17.697 1.00 0.00 N ATOM 150 CA PRO A 525 19.352 22.354 -17.246 1.00 0.00 C ATOM 151 C PRO A 525 18.214 22.009 -18.224 1.00 0.00 C ATOM 152 O PRO A 525 18.152 22.540 -19.334 1.00 0.00 O ATOM 153 CB PRO A 525 19.518 23.871 -17.076 1.00 0.00 C ATOM 154 CG PRO A 525 20.621 24.230 -18.071 1.00 0.00 C ATOM 155 CD PRO A 525 21.527 23.003 -18.025 1.00 0.00 C ATOM 0 HA PRO A 525 19.058 21.866 -16.317 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.592 24.402 -17.296 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.799 24.131 -16.056 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.224 24.403 -19.071 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.151 25.136 -17.778 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.023 22.849 -18.983 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.310 23.125 -17.277 1.00 0.00 H new ATOM 163 N GLY A 526 17.281 21.147 -17.806 1.00 0.00 N ATOM 164 CA GLY A 526 16.091 20.781 -18.594 1.00 0.00 C ATOM 165 C GLY A 526 16.388 20.016 -19.896 1.00 0.00 C ATOM 166 O GLY A 526 15.604 20.090 -20.845 1.00 0.00 O ATOM 0 H GLY A 526 17.328 20.677 -16.902 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.435 20.171 -17.973 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.542 21.690 -18.841 1.00 0.00 H new ATOM 170 N TRP A 527 17.508 19.289 -19.939 1.00 0.00 N ATOM 171 CA TRP A 527 17.989 18.497 -21.080 1.00 0.00 C ATOM 172 C TRP A 527 18.166 17.016 -20.693 1.00 0.00 C ATOM 173 O TRP A 527 18.356 16.672 -19.524 1.00 0.00 O ATOM 174 CB TRP A 527 19.336 19.073 -21.564 1.00 0.00 C ATOM 175 CG TRP A 527 19.294 20.216 -22.536 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.419 21.524 -22.222 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.199 20.172 -23.995 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.375 22.291 -23.372 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.245 21.507 -24.497 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.106 19.136 -24.950 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.181 21.799 -25.870 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.029 19.415 -26.328 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.067 20.744 -26.790 1.00 0.00 C ATOM 0 H TRP A 527 18.138 19.233 -19.139 1.00 0.00 H new ATOM 0 HA TRP A 527 17.249 18.552 -21.879 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.897 19.398 -20.688 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.903 18.263 -22.023 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.536 21.913 -21.221 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.432 23.309 -23.385 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.094 18.109 -24.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.219 22.822 -26.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.940 18.604 -27.035 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.009 20.952 -27.848 1.00 0.00 H new ATOM 194 N GLU A 528 18.171 16.143 -21.697 1.00 0.00 N ATOM 195 CA GLU A 528 18.511 14.717 -21.611 1.00 0.00 C ATOM 196 C GLU A 528 19.596 14.395 -22.655 1.00 0.00 C ATOM 197 O GLU A 528 19.710 15.069 -23.682 1.00 0.00 O ATOM 198 CB GLU A 528 17.219 13.881 -21.764 1.00 0.00 C ATOM 199 CG GLU A 528 17.353 12.385 -22.111 1.00 0.00 C ATOM 200 CD GLU A 528 17.955 11.518 -20.979 1.00 0.00 C ATOM 201 OE1 GLU A 528 18.933 11.949 -20.325 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.459 10.386 -20.769 1.00 0.00 O ATOM 0 H GLU A 528 17.925 16.422 -22.647 1.00 0.00 H new ATOM 0 HA GLU A 528 18.932 14.460 -20.639 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.661 13.957 -20.831 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.610 14.349 -22.538 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.368 11.994 -22.367 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.976 12.285 -23.000 1.00 0.00 H new ATOM 209 N ILE A 529 20.427 13.389 -22.375 1.00 0.00 N ATOM 210 CA ILE A 529 21.651 13.071 -23.126 1.00 0.00 C ATOM 211 C ILE A 529 21.797 11.553 -23.194 1.00 0.00 C ATOM 212 O ILE A 529 21.806 10.884 -22.156 1.00 0.00 O ATOM 213 CB ILE A 529 22.927 13.682 -22.483 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.759 15.118 -21.937 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.053 13.666 -23.531 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.260 15.143 -20.485 1.00 0.00 C ATOM 0 H ILE A 529 20.265 12.751 -21.596 1.00 0.00 H new ATOM 0 HA ILE A 529 21.555 13.506 -24.121 1.00 0.00 H new ATOM 0 HB ILE A 529 23.159 13.066 -21.614 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.714 15.640 -21.998 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.057 15.663 -22.568 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.959 14.091 -23.099 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.247 12.639 -23.841 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.753 14.256 -24.397 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.160 16.176 -20.152 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.291 14.647 -20.425 1.00 0.00 H new ATOM 0 HD13 ILE A 529 22.974 14.624 -19.846 1.00 0.00 H new ATOM 228 N ARG A 530 21.906 11.002 -24.408 1.00 0.00 N ATOM 229 CA ARG A 530 21.917 9.548 -24.652 1.00 0.00 C ATOM 230 C ARG A 530 23.044 9.136 -25.597 1.00 0.00 C ATOM 231 O ARG A 530 23.557 9.953 -26.360 1.00 0.00 O ATOM 232 CB ARG A 530 20.531 9.071 -25.141 1.00 0.00 C ATOM 233 CG ARG A 530 19.424 9.433 -24.131 1.00 0.00 C ATOM 234 CD ARG A 530 18.237 8.455 -24.096 1.00 0.00 C ATOM 235 NE ARG A 530 17.951 8.051 -22.703 1.00 0.00 N ATOM 236 CZ ARG A 530 18.603 7.144 -21.994 1.00 0.00 C ATOM 237 NH1 ARG A 530 19.515 6.365 -22.513 1.00 0.00 N ATOM 238 NH2 ARG A 530 18.358 7.014 -20.724 1.00 0.00 N ATOM 0 H ARG A 530 21.990 11.556 -25.261 1.00 0.00 H new ATOM 0 HA ARG A 530 22.122 9.047 -23.706 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.308 9.525 -26.106 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.549 7.992 -25.293 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.863 9.485 -23.135 1.00 0.00 H new ATOM 0 HG3 ARG A 530 19.049 10.429 -24.366 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.356 8.924 -24.535 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.463 7.575 -24.699 1.00 0.00 H new ATOM 0 HE ARG A 530 17.171 8.519 -22.241 1.00 0.00 H new ATOM 0 HH11 ARG A 530 19.749 6.443 -23.503 1.00 0.00 H new ATOM 0 HH12 ARG A 530 19.993 5.679 -21.928 1.00 0.00 H new ATOM 0 HH21 ARG A 530 17.664 7.611 -20.275 1.00 0.00 H new ATOM 0 HH22 ARG A 530 18.860 6.315 -20.177 1.00 0.00 H new ATOM 252 N TYR A 531 23.415 7.860 -25.527 1.00 0.00 N ATOM 253 CA TYR A 531 24.621 7.284 -26.128 1.00 0.00 C ATOM 254 C TYR A 531 24.228 6.010 -26.888 1.00 0.00 C ATOM 255 O TYR A 531 23.931 4.977 -26.279 1.00 0.00 O ATOM 256 CB TYR A 531 25.653 6.976 -25.026 1.00 0.00 C ATOM 257 CG TYR A 531 26.095 8.154 -24.174 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.323 8.554 -23.063 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.309 8.813 -24.453 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.753 9.615 -22.243 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.757 9.856 -23.619 1.00 0.00 C ATOM 262 CZ TYR A 531 26.978 10.261 -22.512 1.00 0.00 C ATOM 263 OH TYR A 531 27.405 11.262 -21.695 1.00 0.00 O ATOM 0 H TYR A 531 22.860 7.165 -25.028 1.00 0.00 H new ATOM 0 HA TYR A 531 25.074 7.989 -26.825 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.235 6.215 -24.368 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.536 6.542 -25.495 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.397 8.044 -22.840 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.898 8.517 -25.309 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.146 9.934 -21.409 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.697 10.347 -23.826 1.00 0.00 H new ATOM 0 HH TYR A 531 28.354 11.438 -21.862 1.00 0.00 H new ATOM 273 N THR A 532 24.132 6.097 -28.215 1.00 0.00 N ATOM 274 CA THR A 532 23.605 5.009 -29.056 1.00 0.00 C ATOM 275 C THR A 532 24.601 3.852 -29.201 1.00 0.00 C ATOM 276 O THR A 532 25.810 4.012 -29.004 1.00 0.00 O ATOM 277 CB THR A 532 23.203 5.524 -30.446 1.00 0.00 C ATOM 278 OG1 THR A 532 24.351 5.905 -31.172 1.00 0.00 O ATOM 279 CG2 THR A 532 22.237 6.710 -30.366 1.00 0.00 C ATOM 0 H THR A 532 24.416 6.922 -28.743 1.00 0.00 H new ATOM 0 HA THR A 532 22.719 4.629 -28.547 1.00 0.00 H new ATOM 0 HB THR A 532 22.691 4.708 -30.956 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.755 6.694 -30.755 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.981 7.040 -31.373 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.331 6.406 -29.842 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.711 7.529 -29.826 1.00 0.00 H new ATOM 287 N ALA A 533 24.111 2.674 -29.605 1.00 0.00 N ATOM 288 CA ALA A 533 24.942 1.489 -29.855 1.00 0.00 C ATOM 289 C ALA A 533 25.969 1.663 -31.003 1.00 0.00 C ATOM 290 O ALA A 533 26.923 0.888 -31.098 1.00 0.00 O ATOM 291 CB ALA A 533 24.010 0.297 -30.108 1.00 0.00 C ATOM 0 H ALA A 533 23.117 2.514 -29.769 1.00 0.00 H new ATOM 0 HA ALA A 533 25.556 1.318 -28.971 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.605 -0.597 -30.297 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.380 0.136 -29.233 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.382 0.504 -30.974 1.00 0.00 H new ATOM 297 N ALA A 534 25.809 2.689 -31.852 1.00 0.00 N ATOM 298 CA ALA A 534 26.793 3.088 -32.867 1.00 0.00 C ATOM 299 C ALA A 534 28.014 3.843 -32.285 1.00 0.00 C ATOM 300 O ALA A 534 28.981 4.095 -33.008 1.00 0.00 O ATOM 301 CB ALA A 534 26.075 3.942 -33.920 1.00 0.00 C ATOM 0 H ALA A 534 24.975 3.276 -31.851 1.00 0.00 H new ATOM 0 HA ALA A 534 27.203 2.182 -33.313 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.787 4.251 -34.685 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.278 3.358 -34.380 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.649 4.825 -33.444 1.00 0.00 H new ATOM 307 N GLY A 535 27.981 4.215 -30.999 1.00 0.00 N ATOM 308 CA GLY A 535 29.028 4.999 -30.336 1.00 0.00 C ATOM 309 C GLY A 535 28.856 6.514 -30.504 1.00 0.00 C ATOM 310 O GLY A 535 29.848 7.246 -30.492 1.00 0.00 O ATOM 0 H GLY A 535 27.209 3.974 -30.378 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.034 4.758 -29.273 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.999 4.705 -30.735 1.00 0.00 H new ATOM 314 N GLU A 536 27.620 6.995 -30.680 1.00 0.00 N ATOM 315 CA GLU A 536 27.305 8.406 -30.945 1.00 0.00 C ATOM 316 C GLU A 536 26.439 8.995 -29.819 1.00 0.00 C ATOM 317 O GLU A 536 25.336 8.514 -29.537 1.00 0.00 O ATOM 318 CB GLU A 536 26.620 8.558 -32.316 1.00 0.00 C ATOM 319 CG GLU A 536 27.522 8.133 -33.484 1.00 0.00 C ATOM 320 CD GLU A 536 26.940 8.581 -34.840 1.00 0.00 C ATOM 321 OE1 GLU A 536 25.994 7.936 -35.354 1.00 0.00 O ATOM 322 OE2 GLU A 536 27.450 9.572 -35.416 1.00 0.00 O ATOM 0 H GLU A 536 26.791 6.402 -30.642 1.00 0.00 H new ATOM 0 HA GLU A 536 28.238 8.968 -30.971 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.709 7.959 -32.330 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.321 9.597 -32.454 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.515 8.563 -33.353 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.641 7.049 -33.478 1.00 0.00 H new ATOM 329 N ARG A 537 26.946 10.046 -29.158 1.00 0.00 N ATOM 330 CA ARG A 537 26.171 10.862 -28.212 1.00 0.00 C ATOM 331 C ARG A 537 25.217 11.800 -28.963 1.00 0.00 C ATOM 332 O ARG A 537 25.603 12.431 -29.947 1.00 0.00 O ATOM 333 CB ARG A 537 27.121 11.617 -27.259 1.00 0.00 C ATOM 334 CG ARG A 537 26.425 12.724 -26.439 1.00 0.00 C ATOM 335 CD ARG A 537 27.122 13.100 -25.124 1.00 0.00 C ATOM 336 NE ARG A 537 28.583 13.279 -25.243 1.00 0.00 N ATOM 337 CZ ARG A 537 29.410 13.550 -24.247 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.986 13.777 -23.035 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.696 13.591 -24.446 1.00 0.00 N ATOM 0 H ARG A 537 27.912 10.356 -29.266 1.00 0.00 H new ATOM 0 HA ARG A 537 25.549 10.211 -27.597 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.578 10.903 -26.574 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.928 12.061 -27.841 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.346 13.618 -27.058 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.408 12.402 -26.214 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.684 14.023 -24.745 1.00 0.00 H new ATOM 0 HD3 ARG A 537 26.921 12.325 -24.385 1.00 0.00 H new ATOM 0 HE ARG A 537 28.990 13.186 -26.174 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.987 13.749 -22.830 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.653 13.983 -22.291 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.074 13.413 -25.377 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.325 13.801 -23.671 1.00 0.00 H new ATOM 353 N PHE A 538 24.003 11.940 -28.439 1.00 0.00 N ATOM 354 CA PHE A 538 22.994 12.913 -28.864 1.00 0.00 C ATOM 355 C PHE A 538 22.329 13.564 -27.644 1.00 0.00 C ATOM 356 O PHE A 538 22.341 13.018 -26.537 1.00 0.00 O ATOM 357 CB PHE A 538 21.927 12.229 -29.731 1.00 0.00 C ATOM 358 CG PHE A 538 22.411 11.726 -31.077 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.362 12.564 -32.208 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.871 10.403 -31.210 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.755 12.077 -33.467 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.268 9.917 -32.467 1.00 0.00 C ATOM 363 CZ PHE A 538 23.210 10.753 -33.595 1.00 0.00 C ATOM 0 H PHE A 538 23.678 11.353 -27.671 1.00 0.00 H new ATOM 0 HA PHE A 538 23.490 13.686 -29.451 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.514 11.388 -29.174 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.111 12.933 -29.896 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.021 13.584 -32.108 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.919 9.760 -30.344 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.707 12.719 -34.334 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.618 8.900 -32.566 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.515 10.378 -34.561 1.00 0.00 H new ATOM 373 N PHE A 539 21.700 14.712 -27.874 1.00 0.00 N ATOM 374 CA PHE A 539 21.015 15.521 -26.870 1.00 0.00 C ATOM 375 C PHE A 539 19.533 15.666 -27.236 1.00 0.00 C ATOM 376 O PHE A 539 19.158 15.693 -28.413 1.00 0.00 O ATOM 377 CB PHE A 539 21.698 16.892 -26.765 1.00 0.00 C ATOM 378 CG PHE A 539 23.149 16.865 -26.315 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.180 16.618 -27.243 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.472 17.117 -24.968 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.523 16.607 -26.824 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.815 17.112 -24.549 1.00 0.00 C ATOM 383 CZ PHE A 539 25.841 16.853 -25.476 1.00 0.00 C ATOM 0 H PHE A 539 21.651 15.123 -28.806 1.00 0.00 H new ATOM 0 HA PHE A 539 21.074 15.030 -25.899 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.646 17.380 -27.738 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.131 17.509 -26.068 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.938 16.436 -28.280 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.686 17.315 -24.254 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.310 16.410 -27.537 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.058 17.307 -23.515 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.872 16.843 -25.153 1.00 0.00 H new ATOM 393 N VAL A 540 18.693 15.766 -26.208 1.00 0.00 N ATOM 394 CA VAL A 540 17.230 15.687 -26.266 1.00 0.00 C ATOM 395 C VAL A 540 16.632 16.808 -25.418 1.00 0.00 C ATOM 396 O VAL A 540 16.891 16.905 -24.217 1.00 0.00 O ATOM 397 CB VAL A 540 16.756 14.322 -25.725 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.227 14.203 -25.713 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.313 13.122 -26.506 1.00 0.00 C ATOM 0 H VAL A 540 19.032 15.913 -25.257 1.00 0.00 H new ATOM 0 HA VAL A 540 16.903 15.793 -27.300 1.00 0.00 H new ATOM 0 HB VAL A 540 17.147 14.291 -24.708 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.941 13.226 -25.324 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.806 14.983 -25.078 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.845 14.316 -26.728 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.937 12.197 -26.069 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.996 13.186 -27.547 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.402 13.130 -26.457 1.00 0.00 H new ATOM 409 N ASP A 541 15.798 17.636 -26.039 1.00 0.00 N ATOM 410 CA ASP A 541 15.065 18.720 -25.391 1.00 0.00 C ATOM 411 C ASP A 541 13.603 18.307 -25.147 1.00 0.00 C ATOM 412 O ASP A 541 12.852 18.033 -26.085 1.00 0.00 O ATOM 413 CB ASP A 541 15.150 19.973 -26.271 1.00 0.00 C ATOM 414 CG ASP A 541 14.242 21.069 -25.713 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.621 21.719 -24.714 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.112 21.220 -26.227 1.00 0.00 O ATOM 0 H ASP A 541 15.607 17.570 -27.039 1.00 0.00 H new ATOM 0 HA ASP A 541 15.509 18.939 -24.420 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.179 20.329 -26.312 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.855 19.731 -27.292 1.00 0.00 H new ATOM 421 N HIS A 542 13.187 18.268 -23.878 1.00 0.00 N ATOM 422 CA HIS A 542 11.802 17.948 -23.492 1.00 0.00 C ATOM 423 C HIS A 542 10.835 19.139 -23.631 1.00 0.00 C ATOM 424 O HIS A 542 9.617 18.955 -23.626 1.00 0.00 O ATOM 425 CB HIS A 542 11.786 17.424 -22.047 1.00 0.00 C ATOM 426 CG HIS A 542 12.625 16.190 -21.793 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.235 15.876 -20.573 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.877 15.179 -22.678 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.838 14.689 -20.752 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.646 14.252 -22.010 1.00 0.00 N ATOM 0 H HIS A 542 13.799 18.457 -23.085 1.00 0.00 H new ATOM 0 HA HIS A 542 11.447 17.184 -24.183 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.131 18.219 -21.387 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.755 17.205 -21.770 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.539 15.119 -23.702 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.397 14.161 -19.994 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.008 13.383 -22.402 1.00 0.00 H new ATOM 437 N ASN A 543 11.353 20.367 -23.750 1.00 0.00 N ATOM 438 CA ASN A 543 10.554 21.599 -23.778 1.00 0.00 C ATOM 439 C ASN A 543 9.760 21.778 -25.092 1.00 0.00 C ATOM 440 O ASN A 543 8.658 22.332 -25.075 1.00 0.00 O ATOM 441 CB ASN A 543 11.480 22.799 -23.507 1.00 0.00 C ATOM 442 CG ASN A 543 12.231 22.660 -22.190 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.681 22.835 -21.111 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.497 22.315 -22.232 1.00 0.00 N ATOM 0 H ASN A 543 12.356 20.536 -23.831 1.00 0.00 H new ATOM 0 HA ASN A 543 9.799 21.532 -22.995 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.196 22.895 -24.323 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.890 23.715 -23.492 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.021 22.193 -21.366 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.956 22.169 -23.131 1.00 0.00 H new ATOM 451 N THR A 544 10.290 21.288 -26.220 1.00 0.00 N ATOM 452 CA THR A 544 9.655 21.334 -27.556 1.00 0.00 C ATOM 453 C THR A 544 9.967 20.081 -28.414 1.00 0.00 C ATOM 454 O THR A 544 9.878 20.095 -29.643 1.00 0.00 O ATOM 455 CB THR A 544 9.986 22.685 -28.235 1.00 0.00 C ATOM 456 OG1 THR A 544 9.219 22.916 -29.401 1.00 0.00 O ATOM 457 CG2 THR A 544 11.464 22.881 -28.577 1.00 0.00 C ATOM 0 H THR A 544 11.202 20.832 -26.235 1.00 0.00 H new ATOM 0 HA THR A 544 8.572 21.291 -27.441 1.00 0.00 H new ATOM 0 HB THR A 544 9.722 23.415 -27.470 1.00 0.00 H new ATOM 0 HG1 THR A 544 9.148 22.085 -29.916 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.602 23.854 -29.049 1.00 0.00 H new ATOM 0 HG22 THR A 544 12.058 22.833 -27.664 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.786 22.096 -29.262 1.00 0.00 H new ATOM 465 N ARG A 545 10.320 18.958 -27.761 1.00 0.00 N ATOM 466 CA ARG A 545 10.603 17.621 -28.349 1.00 0.00 C ATOM 467 C ARG A 545 11.797 17.551 -29.329 1.00 0.00 C ATOM 468 O ARG A 545 11.988 16.521 -29.981 1.00 0.00 O ATOM 469 CB ARG A 545 9.303 17.011 -28.941 1.00 0.00 C ATOM 470 CG ARG A 545 8.985 15.605 -28.392 1.00 0.00 C ATOM 471 CD ARG A 545 7.822 14.890 -29.110 1.00 0.00 C ATOM 472 NE ARG A 545 6.609 15.728 -29.207 1.00 0.00 N ATOM 473 CZ ARG A 545 5.466 15.410 -29.791 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.136 14.196 -30.127 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.594 16.342 -30.055 1.00 0.00 N ATOM 0 H ARG A 545 10.424 18.952 -26.746 1.00 0.00 H new ATOM 0 HA ARG A 545 10.945 17.004 -27.518 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.467 17.676 -28.725 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.396 16.958 -30.026 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.879 14.987 -28.470 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.746 15.687 -27.332 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.141 14.603 -30.112 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.581 13.971 -28.576 1.00 0.00 H new ATOM 0 HE ARG A 545 6.659 16.652 -28.777 1.00 0.00 H new ATOM 0 HH11 ARG A 545 5.776 13.424 -29.942 1.00 0.00 H new ATOM 0 HH12 ARG A 545 4.237 14.017 -30.575 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.795 17.312 -29.811 1.00 0.00 H new ATOM 0 HH22 ARG A 545 3.711 16.101 -30.505 1.00 0.00 H new ATOM 489 N ARG A 546 12.590 18.624 -29.459 1.00 0.00 N ATOM 490 CA ARG A 546 13.750 18.727 -30.374 1.00 0.00 C ATOM 491 C ARG A 546 14.933 17.845 -29.950 1.00 0.00 C ATOM 492 O ARG A 546 15.036 17.411 -28.803 1.00 0.00 O ATOM 493 CB ARG A 546 14.183 20.203 -30.509 1.00 0.00 C ATOM 494 CG ARG A 546 13.235 20.994 -31.427 1.00 0.00 C ATOM 495 CD ARG A 546 13.650 22.467 -31.560 1.00 0.00 C ATOM 496 NE ARG A 546 14.871 22.634 -32.377 1.00 0.00 N ATOM 497 CZ ARG A 546 15.444 23.776 -32.715 1.00 0.00 C ATOM 498 NH1 ARG A 546 14.987 24.929 -32.314 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.500 23.783 -33.478 1.00 0.00 N ATOM 0 H ARG A 546 12.442 19.474 -28.916 1.00 0.00 H new ATOM 0 HA ARG A 546 13.428 18.351 -31.345 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.205 20.667 -29.523 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.197 20.250 -30.906 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.219 20.532 -32.414 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.220 20.938 -31.033 1.00 0.00 H new ATOM 0 HD2 ARG A 546 12.834 23.033 -32.010 1.00 0.00 H new ATOM 0 HD3 ARG A 546 13.819 22.886 -30.568 1.00 0.00 H new ATOM 0 HE ARG A 546 15.317 21.781 -32.714 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.160 24.971 -31.718 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.456 25.790 -32.596 1.00 0.00 H new ATOM 0 HH21 ARG A 546 16.889 22.904 -33.818 1.00 0.00 H new ATOM 0 HH22 ARG A 546 16.937 24.668 -33.735 1.00 0.00 H new ATOM 513 N THR A 547 15.860 17.622 -30.882 1.00 0.00 N ATOM 514 CA THR A 547 17.100 16.844 -30.687 1.00 0.00 C ATOM 515 C THR A 547 18.268 17.415 -31.501 1.00 0.00 C ATOM 516 O THR A 547 18.064 18.168 -32.458 1.00 0.00 O ATOM 517 CB THR A 547 16.911 15.369 -31.089 1.00 0.00 C ATOM 518 OG1 THR A 547 16.388 15.261 -32.398 1.00 0.00 O ATOM 519 CG2 THR A 547 15.987 14.599 -30.148 1.00 0.00 C ATOM 0 H THR A 547 15.772 17.988 -31.830 1.00 0.00 H new ATOM 0 HA THR A 547 17.331 16.911 -29.624 1.00 0.00 H new ATOM 0 HB THR A 547 17.907 14.929 -31.032 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.130 14.332 -32.571 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.898 13.568 -30.489 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.401 14.613 -29.140 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.002 15.066 -30.143 1.00 0.00 H new ATOM 527 N THR A 548 19.504 17.064 -31.126 1.00 0.00 N ATOM 528 CA THR A 548 20.738 17.487 -31.819 1.00 0.00 C ATOM 529 C THR A 548 21.932 16.574 -31.490 1.00 0.00 C ATOM 530 O THR A 548 21.939 15.875 -30.475 1.00 0.00 O ATOM 531 CB THR A 548 21.054 18.969 -31.517 1.00 0.00 C ATOM 532 OG1 THR A 548 22.271 19.357 -32.119 1.00 0.00 O ATOM 533 CG2 THR A 548 21.143 19.292 -30.027 1.00 0.00 C ATOM 0 H THR A 548 19.683 16.467 -30.318 1.00 0.00 H new ATOM 0 HA THR A 548 20.561 17.390 -32.890 1.00 0.00 H new ATOM 0 HB THR A 548 20.213 19.525 -31.933 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.451 20.299 -31.916 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.368 20.351 -29.897 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.192 19.061 -29.547 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.933 18.695 -29.572 1.00 0.00 H new ATOM 541 N PHE A 549 22.942 16.562 -32.365 1.00 0.00 N ATOM 542 CA PHE A 549 24.208 15.830 -32.209 1.00 0.00 C ATOM 543 C PHE A 549 25.285 16.628 -31.435 1.00 0.00 C ATOM 544 O PHE A 549 26.298 16.066 -31.016 1.00 0.00 O ATOM 545 CB PHE A 549 24.696 15.460 -33.621 1.00 0.00 C ATOM 546 CG PHE A 549 25.996 14.677 -33.693 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.090 13.397 -33.113 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.119 15.229 -34.342 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.297 12.677 -33.177 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.324 14.507 -34.409 1.00 0.00 C ATOM 551 CZ PHE A 549 28.414 13.231 -33.827 1.00 0.00 C ATOM 0 H PHE A 549 22.900 17.084 -33.240 1.00 0.00 H new ATOM 0 HA PHE A 549 24.033 14.939 -31.606 1.00 0.00 H new ATOM 0 HB2 PHE A 549 23.917 14.877 -34.112 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.816 16.379 -34.195 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.232 12.967 -32.617 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.054 16.210 -34.789 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.366 11.698 -32.726 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.181 14.934 -34.908 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.340 12.677 -33.879 1.00 0.00 H new ATOM 561 N GLU A 550 25.073 17.928 -31.212 1.00 0.00 N ATOM 562 CA GLU A 550 26.033 18.848 -30.575 1.00 0.00 C ATOM 563 C GLU A 550 25.386 19.669 -29.439 1.00 0.00 C ATOM 564 O GLU A 550 24.278 19.363 -29.000 1.00 0.00 O ATOM 565 CB GLU A 550 26.720 19.706 -31.661 1.00 0.00 C ATOM 566 CG GLU A 550 25.802 20.715 -32.366 1.00 0.00 C ATOM 567 CD GLU A 550 26.548 21.434 -33.508 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.321 22.384 -33.231 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.365 21.061 -34.693 1.00 0.00 O ATOM 0 H GLU A 550 24.202 18.389 -31.476 1.00 0.00 H new ATOM 0 HA GLU A 550 26.813 18.271 -30.078 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.548 20.248 -31.205 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.149 19.041 -32.411 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.928 20.200 -32.765 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.439 21.448 -31.645 1.00 0.00 H new ATOM 576 N ASP A 551 26.067 20.704 -28.937 1.00 0.00 N ATOM 577 CA ASP A 551 25.611 21.532 -27.807 1.00 0.00 C ATOM 578 C ASP A 551 25.465 23.020 -28.219 1.00 0.00 C ATOM 579 O ASP A 551 26.314 23.849 -27.869 1.00 0.00 O ATOM 580 CB ASP A 551 26.547 21.298 -26.608 1.00 0.00 C ATOM 581 CG ASP A 551 26.108 22.062 -25.343 1.00 0.00 C ATOM 582 OD1 ASP A 551 24.889 22.152 -25.070 1.00 0.00 O ATOM 583 OD2 ASP A 551 26.992 22.541 -24.592 1.00 0.00 O ATOM 0 H ASP A 551 26.970 20.999 -29.310 1.00 0.00 H new ATOM 0 HA ASP A 551 24.609 21.233 -27.499 1.00 0.00 H new ATOM 0 HB2 ASP A 551 26.585 20.231 -26.387 1.00 0.00 H new ATOM 0 HB3 ASP A 551 27.558 21.604 -26.878 1.00 0.00 H new ATOM 588 N PRO A 552 24.439 23.365 -29.028 1.00 0.00 N ATOM 589 CA PRO A 552 24.199 24.725 -29.523 1.00 0.00 C ATOM 590 C PRO A 552 23.621 25.657 -28.436 1.00 0.00 C ATOM 591 O PRO A 552 23.347 25.239 -27.305 1.00 0.00 O ATOM 592 CB PRO A 552 23.222 24.535 -30.691 1.00 0.00 C ATOM 593 CG PRO A 552 22.369 23.353 -30.236 1.00 0.00 C ATOM 594 CD PRO A 552 23.380 22.477 -29.499 1.00 0.00 C ATOM 0 HA PRO A 552 25.124 25.213 -29.829 1.00 0.00 H new ATOM 0 HB2 PRO A 552 22.618 25.426 -30.861 1.00 0.00 H new ATOM 0 HB3 PRO A 552 23.744 24.321 -31.623 1.00 0.00 H new ATOM 0 HG2 PRO A 552 21.554 23.668 -29.584 1.00 0.00 H new ATOM 0 HG3 PRO A 552 21.918 22.830 -31.079 1.00 0.00 H new ATOM 0 HD2 PRO A 552 22.908 21.960 -28.663 1.00 0.00 H new ATOM 0 HD3 PRO A 552 23.783 21.711 -30.161 1.00 0.00 H new ATOM 602 N ARG A 553 23.401 26.934 -28.786 1.00 0.00 N ATOM 603 CA ARG A 553 22.716 27.923 -27.927 1.00 0.00 C ATOM 604 C ARG A 553 21.312 27.459 -27.480 1.00 0.00 C ATOM 605 O ARG A 553 20.643 26.742 -28.232 1.00 0.00 O ATOM 606 CB ARG A 553 22.612 29.278 -28.654 1.00 0.00 C ATOM 607 CG ARG A 553 23.950 30.036 -28.689 1.00 0.00 C ATOM 608 CD ARG A 553 23.768 31.478 -29.183 1.00 0.00 C ATOM 609 NE ARG A 553 22.976 32.287 -28.228 1.00 0.00 N ATOM 610 CZ ARG A 553 22.151 33.281 -28.507 1.00 0.00 C ATOM 611 NH1 ARG A 553 21.978 33.725 -29.719 1.00 0.00 N ATOM 612 NH2 ARG A 553 21.474 33.858 -27.555 1.00 0.00 N ATOM 0 H ARG A 553 23.696 27.317 -29.684 1.00 0.00 H new ATOM 0 HA ARG A 553 23.321 28.029 -27.027 1.00 0.00 H new ATOM 0 HB2 ARG A 553 22.266 29.113 -29.674 1.00 0.00 H new ATOM 0 HB3 ARG A 553 21.862 29.895 -28.159 1.00 0.00 H new ATOM 0 HG2 ARG A 553 24.390 30.045 -27.692 1.00 0.00 H new ATOM 0 HG3 ARG A 553 24.649 29.512 -29.341 1.00 0.00 H new ATOM 0 HD2 ARG A 553 24.745 31.939 -29.328 1.00 0.00 H new ATOM 0 HD3 ARG A 553 23.271 31.471 -30.153 1.00 0.00 H new ATOM 0 HE ARG A 553 23.079 32.050 -27.241 1.00 0.00 H new ATOM 0 HH11 ARG A 553 22.489 33.303 -30.494 1.00 0.00 H new ATOM 0 HH12 ARG A 553 21.332 34.495 -29.893 1.00 0.00 H new ATOM 0 HH21 ARG A 553 21.580 33.543 -26.591 1.00 0.00 H new ATOM 0 HH22 ARG A 553 20.838 34.625 -27.774 1.00 0.00 H new ATOM 626 N PRO A 554 20.820 27.908 -26.304 1.00 0.00 N ATOM 627 CA PRO A 554 19.504 27.525 -25.781 1.00 0.00 C ATOM 628 C PRO A 554 18.323 28.122 -26.573 1.00 0.00 C ATOM 629 O PRO A 554 17.257 27.507 -26.635 1.00 0.00 O ATOM 630 CB PRO A 554 19.502 27.988 -24.318 1.00 0.00 C ATOM 631 CG PRO A 554 20.474 29.167 -24.307 1.00 0.00 C ATOM 632 CD PRO A 554 21.518 28.757 -25.344 1.00 0.00 C ATOM 0 HA PRO A 554 19.357 26.449 -25.875 1.00 0.00 H new ATOM 0 HB2 PRO A 554 18.505 28.288 -23.995 1.00 0.00 H new ATOM 0 HB3 PRO A 554 19.829 27.194 -23.647 1.00 0.00 H new ATOM 0 HG2 PRO A 554 19.980 30.100 -24.578 1.00 0.00 H new ATOM 0 HG3 PRO A 554 20.918 29.315 -23.323 1.00 0.00 H new ATOM 0 HD2 PRO A 554 21.945 29.632 -25.835 1.00 0.00 H new ATOM 0 HD3 PRO A 554 22.343 28.220 -24.876 1.00 0.00 H new ATOM 640 N GLY A 555 18.507 29.293 -27.199 1.00 0.00 N ATOM 641 CA GLY A 555 17.581 29.878 -28.182 1.00 0.00 C ATOM 642 C GLY A 555 17.460 31.404 -28.095 1.00 0.00 C ATOM 643 O GLY A 555 17.592 32.095 -29.108 1.00 0.00 O ATOM 0 H GLY A 555 19.327 29.876 -27.032 1.00 0.00 H new ATOM 0 HA2 GLY A 555 17.913 29.607 -29.184 1.00 0.00 H new ATOM 0 HA3 GLY A 555 16.594 29.437 -28.043 1.00 0.00 H new ATOM 647 N ALA A 556 17.239 31.931 -26.886 1.00 0.00 N ATOM 648 CA ALA A 556 17.028 33.358 -26.609 1.00 0.00 C ATOM 649 C ALA A 556 17.357 33.716 -25.136 1.00 0.00 C ATOM 650 O ALA A 556 17.290 32.831 -24.271 1.00 0.00 O ATOM 651 CB ALA A 556 15.557 33.684 -26.926 1.00 0.00 C ATOM 0 H ALA A 556 17.201 31.357 -26.044 1.00 0.00 H new ATOM 0 HA ALA A 556 17.699 33.950 -27.231 1.00 0.00 H new ATOM 0 HB1 ALA A 556 15.368 34.739 -26.730 1.00 0.00 H new ATOM 0 HB2 ALA A 556 15.354 33.468 -27.975 1.00 0.00 H new ATOM 0 HB3 ALA A 556 14.906 33.076 -26.298 1.00 0.00 H new ATOM 657 N PRO A 557 17.689 34.989 -24.823 1.00 0.00 N ATOM 658 CA PRO A 557 17.902 35.468 -23.451 1.00 0.00 C ATOM 659 C PRO A 557 16.608 35.487 -22.604 1.00 0.00 C ATOM 660 O PRO A 557 15.521 35.814 -23.134 1.00 0.00 O ATOM 661 CB PRO A 557 18.517 36.866 -23.594 1.00 0.00 C ATOM 662 CG PRO A 557 17.980 37.362 -24.935 1.00 0.00 C ATOM 663 CD PRO A 557 17.886 36.084 -25.769 1.00 0.00 C ATOM 0 HA PRO A 557 18.560 34.791 -22.907 1.00 0.00 H new ATOM 0 HB2 PRO A 557 18.217 37.521 -22.776 1.00 0.00 H new ATOM 0 HB3 PRO A 557 19.606 36.827 -23.589 1.00 0.00 H new ATOM 0 HG2 PRO A 557 17.008 37.844 -24.826 1.00 0.00 H new ATOM 0 HG3 PRO A 557 18.649 38.092 -25.391 1.00 0.00 H new ATOM 0 HD2 PRO A 557 17.058 36.141 -26.475 1.00 0.00 H new ATOM 0 HD3 PRO A 557 18.794 35.934 -26.354 1.00 0.00 H new TER 671 PRO A 557 ATOM 672 N ASN B2319 33.350 14.617 -35.484 1.00 0.00 N ATOM 673 CA ASN B2319 33.363 13.537 -36.509 1.00 0.00 C ATOM 674 C ASN B2319 31.956 13.324 -37.071 1.00 0.00 C ATOM 675 O ASN B2319 30.980 13.366 -36.323 1.00 0.00 O ATOM 676 CB ASN B2319 33.928 12.207 -35.956 1.00 0.00 C ATOM 677 CG ASN B2319 35.407 12.313 -35.577 1.00 0.00 C ATOM 678 OD1 ASN B2319 35.810 13.192 -34.825 1.00 0.00 O ATOM 679 ND2 ASN B2319 36.268 11.456 -36.091 1.00 0.00 N ATOM 0 HA ASN B2319 34.028 13.860 -37.310 1.00 0.00 H new ATOM 0 HB2 ASN B2319 33.352 11.907 -35.080 1.00 0.00 H new ATOM 0 HB3 ASN B2319 33.803 11.424 -36.704 1.00 0.00 H new ATOM 0 HD21 ASN B2319 37.259 11.529 -35.861 1.00 0.00 H new ATOM 0 HD22 ASN B2319 35.943 10.720 -36.718 1.00 0.00 H new ATOM 686 N THR B2320 31.837 13.106 -38.384 1.00 0.00 N ATOM 687 CA THR B2320 30.557 12.802 -39.062 1.00 0.00 C ATOM 688 C THR B2320 30.095 11.352 -38.829 1.00 0.00 C ATOM 689 O THR B2320 30.894 10.473 -38.487 1.00 0.00 O ATOM 690 CB THR B2320 30.662 13.063 -40.578 1.00 0.00 C ATOM 691 OG1 THR B2320 31.731 12.334 -41.148 1.00 0.00 O ATOM 692 CG2 THR B2320 30.880 14.545 -40.896 1.00 0.00 C ATOM 0 H THR B2320 32.633 13.134 -39.021 1.00 0.00 H new ATOM 0 HA THR B2320 29.814 13.468 -38.623 1.00 0.00 H new ATOM 0 HB THR B2320 29.712 12.739 -41.004 1.00 0.00 H new ATOM 0 HG1 THR B2320 31.775 12.516 -42.110 1.00 0.00 H new ATOM 0 HG21 THR B2320 30.948 14.679 -41.976 1.00 0.00 H new ATOM 0 HG22 THR B2320 30.043 15.127 -40.510 1.00 0.00 H new ATOM 0 HG23 THR B2320 31.805 14.885 -40.429 1.00 0.00 H new ATOM 700 N GLY B2321 28.799 11.086 -39.037 1.00 0.00 N ATOM 701 CA GLY B2321 28.217 9.737 -39.018 1.00 0.00 C ATOM 702 C GLY B2321 26.686 9.757 -38.993 1.00 0.00 C ATOM 703 O GLY B2321 26.047 9.458 -40.005 1.00 0.00 O ATOM 0 H GLY B2321 28.112 11.816 -39.227 1.00 0.00 H new ATOM 0 HA2 GLY B2321 28.555 9.187 -39.896 1.00 0.00 H new ATOM 0 HA3 GLY B2321 28.584 9.199 -38.144 1.00 0.00 H new ATOM 707 N ALA B2322 26.107 10.171 -37.861 1.00 0.00 N ATOM 708 CA ALA B2322 24.666 10.269 -37.599 1.00 0.00 C ATOM 709 C ALA B2322 23.851 9.020 -38.028 1.00 0.00 C ATOM 710 O ALA B2322 22.782 9.129 -38.638 1.00 0.00 O ATOM 711 CB ALA B2322 24.145 11.601 -38.163 1.00 0.00 C ATOM 0 H ALA B2322 26.662 10.463 -37.057 1.00 0.00 H new ATOM 0 HA ALA B2322 24.512 10.276 -36.520 1.00 0.00 H new ATOM 0 HB1 ALA B2322 23.075 11.683 -37.973 1.00 0.00 H new ATOM 0 HB2 ALA B2322 24.664 12.429 -37.679 1.00 0.00 H new ATOM 0 HB3 ALA B2322 24.327 11.637 -39.237 1.00 0.00 H new ATOM 717 N LYS B2323 24.375 7.822 -37.731 1.00 0.00 N ATOM 718 CA LYS B2323 23.808 6.517 -38.136 1.00 0.00 C ATOM 719 C LYS B2323 22.499 6.162 -37.407 1.00 0.00 C ATOM 720 O LYS B2323 21.732 5.322 -37.881 1.00 0.00 O ATOM 721 CB LYS B2323 24.883 5.434 -37.900 1.00 0.00 C ATOM 722 CG LYS B2323 24.650 4.100 -38.635 1.00 0.00 C ATOM 723 CD LYS B2323 24.785 4.230 -40.163 1.00 0.00 C ATOM 724 CE LYS B2323 24.701 2.873 -40.876 1.00 0.00 C ATOM 725 NZ LYS B2323 23.316 2.330 -40.908 1.00 0.00 N ATOM 0 H LYS B2323 25.232 7.726 -37.186 1.00 0.00 H new ATOM 0 HA LYS B2323 23.539 6.575 -39.191 1.00 0.00 H new ATOM 0 HB2 LYS B2323 25.850 5.833 -38.205 1.00 0.00 H new ATOM 0 HB3 LYS B2323 24.944 5.234 -36.830 1.00 0.00 H new ATOM 0 HG2 LYS B2323 25.365 3.361 -38.273 1.00 0.00 H new ATOM 0 HG3 LYS B2323 23.655 3.726 -38.393 1.00 0.00 H new ATOM 0 HD2 LYS B2323 23.999 4.885 -40.540 1.00 0.00 H new ATOM 0 HD3 LYS B2323 25.737 4.704 -40.402 1.00 0.00 H new ATOM 0 HE2 LYS B2323 25.070 2.979 -41.896 1.00 0.00 H new ATOM 0 HE3 LYS B2323 25.355 2.161 -40.373 1.00 0.00 H new ATOM 0 HZ1 LYS B2323 23.314 1.414 -41.400 1.00 0.00 H new ATOM 0 HZ2 LYS B2323 22.971 2.202 -39.935 1.00 0.00 H new ATOM 0 HZ3 LYS B2323 22.694 2.994 -41.411 1.00 0.00 H new ATOM 739 N GLN B2324 22.242 6.804 -36.267 1.00 0.00 N ATOM 740 CA GLN B2324 21.158 6.496 -35.327 1.00 0.00 C ATOM 741 C GLN B2324 20.323 7.764 -35.051 1.00 0.00 C ATOM 742 O GLN B2324 20.841 8.690 -34.422 1.00 0.00 O ATOM 743 CB GLN B2324 21.783 5.977 -34.019 1.00 0.00 C ATOM 744 CG GLN B2324 22.404 4.572 -34.118 1.00 0.00 C ATOM 745 CD GLN B2324 21.402 3.436 -33.909 1.00 0.00 C ATOM 746 OE1 GLN B2324 20.206 3.551 -34.141 1.00 0.00 O ATOM 747 NE2 GLN B2324 21.851 2.291 -33.435 1.00 0.00 N ATOM 0 H GLN B2324 22.811 7.592 -35.957 1.00 0.00 H new ATOM 0 HA GLN B2324 20.499 5.738 -35.750 1.00 0.00 H new ATOM 0 HB2 GLN B2324 22.553 6.678 -33.697 1.00 0.00 H new ATOM 0 HB3 GLN B2324 21.016 5.967 -33.244 1.00 0.00 H new ATOM 0 HG2 GLN B2324 22.868 4.459 -35.098 1.00 0.00 H new ATOM 0 HG3 GLN B2324 23.199 4.484 -33.377 1.00 0.00 H new ATOM 0 HE21 GLN B2324 22.845 2.176 -33.235 1.00 0.00 H new ATOM 0 HE22 GLN B2324 21.205 1.520 -33.268 1.00 0.00 H new ATOM 756 N PRO B2325 19.056 7.855 -35.504 1.00 0.00 N ATOM 757 CA PRO B2325 18.211 9.023 -35.249 1.00 0.00 C ATOM 758 C PRO B2325 17.771 9.078 -33.768 1.00 0.00 C ATOM 759 O PRO B2325 17.149 8.123 -33.287 1.00 0.00 O ATOM 760 CB PRO B2325 17.019 8.876 -36.203 1.00 0.00 C ATOM 761 CG PRO B2325 16.902 7.367 -36.420 1.00 0.00 C ATOM 762 CD PRO B2325 18.347 6.875 -36.318 1.00 0.00 C ATOM 0 HA PRO B2325 18.740 9.960 -35.426 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.108 9.289 -35.770 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.192 9.402 -37.142 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.266 6.902 -35.667 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.467 7.134 -37.392 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.390 5.886 -35.861 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.799 6.790 -37.306 1.00 0.00 H new ATOM 770 N PRO B2326 18.062 10.162 -33.019 1.00 0.00 N ATOM 771 CA PRO B2326 17.614 10.307 -31.633 1.00 0.00 C ATOM 772 C PRO B2326 16.102 10.591 -31.561 1.00 0.00 C ATOM 773 O PRO B2326 15.611 11.555 -32.154 1.00 0.00 O ATOM 774 CB PRO B2326 18.449 11.458 -31.060 1.00 0.00 C ATOM 775 CG PRO B2326 18.729 12.329 -32.282 1.00 0.00 C ATOM 776 CD PRO B2326 18.868 11.311 -33.412 1.00 0.00 C ATOM 0 HA PRO B2326 17.757 9.393 -31.057 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.905 12.006 -30.291 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.371 11.098 -30.603 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.917 13.031 -32.470 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.637 12.918 -32.157 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.519 11.727 -34.357 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.910 11.026 -33.554 1.00 0.00 H new ATOM 784 N SER B2327 15.376 9.770 -30.797 1.00 0.00 N ATOM 785 CA SER B2327 13.925 9.883 -30.572 1.00 0.00 C ATOM 786 C SER B2327 13.566 9.356 -29.178 1.00 0.00 C ATOM 787 O SER B2327 13.410 8.149 -28.986 1.00 0.00 O ATOM 788 CB SER B2327 13.126 9.105 -31.635 1.00 0.00 C ATOM 789 OG SER B2327 13.307 9.637 -32.938 1.00 0.00 O ATOM 0 H SER B2327 15.792 8.982 -30.300 1.00 0.00 H new ATOM 0 HA SER B2327 13.660 10.938 -30.648 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.434 8.059 -31.625 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.067 9.128 -31.379 1.00 0.00 H new ATOM 0 HG SER B2327 12.784 9.113 -33.581 1.00 0.00 H new ATOM 795 N TYR B2328 13.461 10.252 -28.189 1.00 0.00 N ATOM 796 CA TYR B2328 13.042 9.910 -26.823 1.00 0.00 C ATOM 797 C TYR B2328 11.517 10.060 -26.690 1.00 0.00 C ATOM 798 O TYR B2328 10.785 9.102 -26.947 1.00 0.00 O ATOM 799 CB TYR B2328 13.842 10.766 -25.830 1.00 0.00 C ATOM 800 CG TYR B2328 13.598 10.456 -24.364 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.142 9.288 -23.793 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.845 11.339 -23.564 1.00 0.00 C ATOM 803 CE1 TYR B2328 13.932 9.000 -22.430 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.626 11.051 -22.203 1.00 0.00 C ATOM 805 CZ TYR B2328 13.171 9.882 -21.630 1.00 0.00 C ATOM 806 OH TYR B2328 12.957 9.615 -20.312 1.00 0.00 O ATOM 0 H TYR B2328 13.666 11.243 -28.315 1.00 0.00 H new ATOM 0 HA TYR B2328 13.260 8.867 -26.592 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.904 10.639 -26.039 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.605 11.815 -26.007 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.722 8.611 -24.403 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.435 12.240 -23.996 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.353 8.105 -21.996 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.040 11.726 -21.597 1.00 0.00 H new ATOM 0 HH TYR B2328 12.414 10.329 -19.917 1.00 0.00 H new ATOM 816 N GLU B2329 11.009 11.269 -26.408 1.00 0.00 N ATOM 817 CA GLU B2329 9.564 11.545 -26.418 1.00 0.00 C ATOM 818 C GLU B2329 8.951 11.295 -27.800 1.00 0.00 C ATOM 819 O GLU B2329 7.906 10.666 -27.888 1.00 0.00 O ATOM 820 CB GLU B2329 9.249 12.968 -25.938 1.00 0.00 C ATOM 821 CG GLU B2329 9.216 13.058 -24.409 1.00 0.00 C ATOM 822 CD GLU B2329 8.702 14.437 -23.961 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.504 15.399 -23.945 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.497 14.561 -23.631 1.00 0.00 O ATOM 0 H GLU B2329 11.583 12.077 -26.168 1.00 0.00 H new ATOM 0 HA GLU B2329 9.109 10.848 -25.714 1.00 0.00 H new ATOM 0 HB2 GLU B2329 9.999 13.657 -26.327 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.287 13.283 -26.342 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.573 12.275 -24.007 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.215 12.888 -24.007 1.00 0.00 H new ATOM 831 N ASP B2330 9.630 11.685 -28.883 1.00 0.00 N ATOM 832 CA ASP B2330 9.153 11.460 -30.259 1.00 0.00 C ATOM 833 C ASP B2330 8.968 9.967 -30.628 1.00 0.00 C ATOM 834 O ASP B2330 8.284 9.654 -31.605 1.00 0.00 O ATOM 835 CB ASP B2330 10.097 12.177 -31.234 1.00 0.00 C ATOM 836 CG ASP B2330 9.483 12.307 -32.643 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.479 13.045 -32.796 1.00 0.00 O ATOM 838 OD2 ASP B2330 10.021 11.709 -33.606 1.00 0.00 O ATOM 0 H ASP B2330 10.528 12.167 -28.835 1.00 0.00 H new ATOM 0 HA ASP B2330 8.150 11.881 -30.333 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.332 13.169 -30.848 1.00 0.00 H new ATOM 0 HB3 ASP B2330 11.037 11.629 -31.297 1.00 0.00 H new ATOM 843 N CYS B2331 9.532 9.040 -29.839 1.00 0.00 N ATOM 844 CA CYS B2331 9.262 7.602 -29.942 1.00 0.00 C ATOM 845 C CYS B2331 8.111 7.157 -29.016 1.00 0.00 C ATOM 846 O CYS B2331 7.182 6.488 -29.480 1.00 0.00 O ATOM 847 CB CYS B2331 10.560 6.840 -29.634 1.00 0.00 C ATOM 848 SG CYS B2331 10.335 5.057 -29.897 1.00 0.00 S ATOM 0 H CYS B2331 10.197 9.274 -29.102 1.00 0.00 H new ATOM 0 HA CYS B2331 8.933 7.374 -30.956 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.364 7.208 -30.272 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.861 7.026 -28.603 1.00 0.00 H new ATOM 0 HG CYS B2331 11.446 4.436 -29.632 1.00 0.00 H new ATOM 854 N ILE B2332 8.133 7.526 -27.724 1.00 0.00 N ATOM 855 CA ILE B2332 7.122 7.065 -26.749 1.00 0.00 C ATOM 856 C ILE B2332 5.745 7.757 -26.880 1.00 0.00 C ATOM 857 O ILE B2332 4.741 7.188 -26.436 1.00 0.00 O ATOM 858 CB ILE B2332 7.636 7.118 -25.290 1.00 0.00 C ATOM 859 CG1 ILE B2332 7.953 8.542 -24.795 1.00 0.00 C ATOM 860 CG2 ILE B2332 8.862 6.201 -25.125 1.00 0.00 C ATOM 861 CD1 ILE B2332 7.991 8.678 -23.269 1.00 0.00 C ATOM 0 H ILE B2332 8.841 8.144 -27.327 1.00 0.00 H new ATOM 0 HA ILE B2332 6.956 6.020 -27.010 1.00 0.00 H new ATOM 0 HB ILE B2332 6.820 6.759 -24.663 1.00 0.00 H new ATOM 0 HG12 ILE B2332 8.916 8.851 -25.201 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.205 9.228 -25.192 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.215 6.247 -24.095 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.585 5.175 -25.368 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.656 6.531 -25.795 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.220 9.709 -23.001 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.021 8.403 -22.855 1.00 0.00 H new ATOM 0 HD13 ILE B2332 8.759 8.019 -22.864 1.00 0.00 H new ATOM 873 N LYS B2333 5.675 8.944 -27.501 1.00 0.00 N ATOM 874 CA LYS B2333 4.448 9.703 -27.806 1.00 0.00 C ATOM 875 C LYS B2333 4.574 10.504 -29.115 1.00 0.00 C ATOM 876 O LYS B2333 4.021 10.018 -30.130 1.00 0.00 O ATOM 877 CB LYS B2333 3.993 10.547 -26.591 1.00 0.00 C ATOM 878 CG LYS B2333 5.035 11.505 -25.968 1.00 0.00 C ATOM 879 CD LYS B2333 4.695 12.997 -26.112 1.00 0.00 C ATOM 880 CE LYS B2333 3.481 13.388 -25.260 1.00 0.00 C ATOM 881 NZ LYS B2333 3.204 14.847 -25.341 1.00 0.00 N ATOM 0 H LYS B2333 6.514 9.427 -27.821 1.00 0.00 H new ATOM 0 HA LYS B2333 3.645 8.989 -27.990 1.00 0.00 H new ATOM 0 HB2 LYS B2333 3.129 11.138 -26.895 1.00 0.00 H new ATOM 0 HB3 LYS B2333 3.654 9.864 -25.812 1.00 0.00 H new ATOM 0 HG2 LYS B2333 5.139 11.270 -24.909 1.00 0.00 H new ATOM 0 HG3 LYS B2333 6.004 11.320 -26.432 1.00 0.00 H new ATOM 0 HD2 LYS B2333 5.556 13.596 -25.815 1.00 0.00 H new ATOM 0 HD3 LYS B2333 4.493 13.225 -27.159 1.00 0.00 H new ATOM 0 HE2 LYS B2333 2.606 12.831 -25.595 1.00 0.00 H new ATOM 0 HE3 LYS B2333 3.659 13.108 -24.222 1.00 0.00 H new ATOM 0 HZ1 LYS B2333 2.377 15.077 -24.753 1.00 0.00 H new ATOM 0 HZ2 LYS B2333 4.031 15.377 -24.998 1.00 0.00 H new ATOM 0 HZ3 LYS B2333 3.010 15.109 -26.329 1.00 0.00 H new TER 895 LYS B2333