USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 1 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.8!) USER MOD Single : A 1 ASN N :NH3+ -129:sc= -3.06! (180deg=-6.52!) USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00145 USER MOD Single : A 12 THR OG1 : rot 11:sc= -1.35! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 106:sc= 1.25 USER MOD Single : A 34 ASN : amide:sc= -3.83! C(o=-3.8!,f=-6.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -49:sc= -0.444! USER MOD Single : A 42 ASN : amide:sc= -8.94! C(o=-8.9!,f=-14!) USER MOD Single : A 43 HIS : no HD1:sc= -18.7! C(o=-19!,f=-19!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.727 K(o=-0.73,f=-0.21) USER MOD Single : A 54 SER OG : rot 180:sc= -0.477 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0822 USER MOD Single : A 64 THR OG1 : rot -103:sc= 0.107 USER MOD Single : A 65 TYR OH : rot -17:sc= -0.832 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 16.888 8.832 -8.677 1.00 0.00 N ATOM 2 CA ASN A 1 16.035 9.971 -8.220 1.00 0.00 C ATOM 3 C ASN A 1 14.846 9.450 -7.407 1.00 0.00 C ATOM 4 O ASN A 1 14.636 9.864 -6.284 1.00 0.00 O ATOM 5 CB ASN A 1 15.547 10.660 -9.499 1.00 0.00 C ATOM 6 CG ASN A 1 15.919 12.142 -9.452 1.00 0.00 C ATOM 7 OD1 ASN A 1 16.215 12.674 -8.401 1.00 0.00 O ATOM 8 ND2 ASN A 1 15.919 12.838 -10.557 1.00 0.00 N ATOM 0 H1 ASN A 1 17.880 9.018 -8.424 1.00 0.00 H new ATOM 0 H2 ASN A 1 16.572 7.955 -8.216 1.00 0.00 H new ATOM 0 H3 ASN A 1 16.807 8.730 -9.709 1.00 0.00 H new ATOM 0 HA ASN A 1 16.587 10.658 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 1 15.996 10.189 -10.373 1.00 0.00 H new ATOM 0 HB3 ASN A 1 14.467 10.548 -9.596 1.00 0.00 H new ATOM 0 HD21 ASN A 1 16.167 13.827 -10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 1 15.671 12.393 -11.440 1.00 0.00 H new ATOM 17 N PRO A 2 14.105 8.556 -8.004 1.00 0.00 N ATOM 18 CA PRO A 2 12.923 7.972 -7.327 1.00 0.00 C ATOM 19 C PRO A 2 13.360 6.956 -6.268 1.00 0.00 C ATOM 20 O PRO A 2 14.291 6.200 -6.466 1.00 0.00 O ATOM 21 CB PRO A 2 12.166 7.284 -8.458 1.00 0.00 C ATOM 22 CG PRO A 2 13.200 6.984 -9.497 1.00 0.00 C ATOM 23 CD PRO A 2 14.297 8.010 -9.352 1.00 0.00 C ATOM 0 HA PRO A 2 12.319 8.714 -6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.682 6.372 -8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.383 7.929 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.596 5.977 -9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.764 7.026 -10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.282 7.557 -9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.217 8.788 -10.112 1.00 0.00 H new ATOM 31 N LEU A 3 12.694 6.929 -5.147 1.00 0.00 N ATOM 32 CA LEU A 3 13.069 5.959 -4.078 1.00 0.00 C ATOM 33 C LEU A 3 11.832 5.192 -3.603 1.00 0.00 C ATOM 34 O LEU A 3 10.779 5.260 -4.206 1.00 0.00 O ATOM 35 CB LEU A 3 13.639 6.815 -2.947 1.00 0.00 C ATOM 36 CG LEU A 3 15.080 6.391 -2.662 1.00 0.00 C ATOM 37 CD1 LEU A 3 15.937 7.631 -2.399 1.00 0.00 C ATOM 38 CD2 LEU A 3 15.110 5.482 -1.432 1.00 0.00 C ATOM 0 H LEU A 3 11.906 7.537 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 3 13.787 5.217 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.607 7.869 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.031 6.702 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 3 15.476 5.853 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.964 7.327 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.917 8.280 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.542 8.171 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.137 5.179 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.713 6.021 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.501 4.597 -1.618 1.00 0.00 H new ATOM 50 N ILE A 4 11.949 4.462 -2.528 1.00 0.00 N ATOM 51 CA ILE A 4 10.778 3.692 -2.019 1.00 0.00 C ATOM 52 C ILE A 4 9.648 4.645 -1.626 1.00 0.00 C ATOM 53 O ILE A 4 9.890 5.721 -1.113 1.00 0.00 O ATOM 54 CB ILE A 4 11.300 2.938 -0.789 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.984 1.646 -1.240 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.138 2.595 0.155 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.929 0.649 -1.720 1.00 0.00 C ATOM 0 H ILE A 4 12.804 4.365 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 4 10.373 3.014 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 4 12.013 3.571 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.691 1.858 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.555 1.218 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.521 2.060 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.650 3.514 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.417 1.967 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.417 -0.271 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.239 0.429 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.377 1.078 -2.556 1.00 0.00 H new ATOM 69 N PRO A 5 8.446 4.202 -1.866 1.00 0.00 N ATOM 70 CA PRO A 5 7.256 5.011 -1.516 1.00 0.00 C ATOM 71 C PRO A 5 7.068 5.022 0.004 1.00 0.00 C ATOM 72 O PRO A 5 7.991 4.777 0.756 1.00 0.00 O ATOM 73 CB PRO A 5 6.108 4.275 -2.205 1.00 0.00 C ATOM 74 CG PRO A 5 6.585 2.866 -2.345 1.00 0.00 C ATOM 75 CD PRO A 5 8.083 2.922 -2.482 1.00 0.00 C ATOM 0 HA PRO A 5 7.328 6.053 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.194 4.326 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.883 4.715 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.299 2.273 -1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.135 2.391 -3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.562 2.085 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.390 2.880 -3.527 1.00 0.00 H new ATOM 83 N ALA A 6 5.882 5.299 0.458 1.00 0.00 N ATOM 84 CA ALA A 6 5.627 5.323 1.921 1.00 0.00 C ATOM 85 C ALA A 6 4.677 4.187 2.309 1.00 0.00 C ATOM 86 O ALA A 6 4.727 3.670 3.407 1.00 0.00 O ATOM 87 CB ALA A 6 4.981 6.682 2.191 1.00 0.00 C ATOM 0 H ALA A 6 5.073 5.511 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 6 6.539 5.186 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.762 6.776 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.664 7.476 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.055 6.765 1.621 1.00 0.00 H new ATOM 93 N ILE A 7 3.809 3.800 1.415 1.00 0.00 N ATOM 94 CA ILE A 7 2.850 2.698 1.729 1.00 0.00 C ATOM 95 C ILE A 7 3.592 1.464 2.259 1.00 0.00 C ATOM 96 O ILE A 7 3.298 0.965 3.327 1.00 0.00 O ATOM 97 CB ILE A 7 2.131 2.383 0.404 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.530 0.975 0.465 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.109 2.455 -0.775 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.692 0.828 1.735 1.00 0.00 C ATOM 0 H ILE A 7 3.721 4.198 0.480 1.00 0.00 H new ATOM 0 HA ILE A 7 2.144 2.989 2.507 1.00 0.00 H new ATOM 0 HB ILE A 7 1.343 3.122 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.911 0.795 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.325 0.229 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.580 2.229 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.534 3.457 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.910 1.730 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.266 -0.174 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.324 0.989 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.112 1.564 1.728 1.00 0.00 H new ATOM 112 N TYR A 8 4.543 0.966 1.523 1.00 0.00 N ATOM 113 CA TYR A 8 5.291 -0.237 1.986 1.00 0.00 C ATOM 114 C TYR A 8 5.736 -0.058 3.436 1.00 0.00 C ATOM 115 O TYR A 8 5.860 -1.011 4.179 1.00 0.00 O ATOM 116 CB TYR A 8 6.497 -0.337 1.053 1.00 0.00 C ATOM 117 CG TYR A 8 6.019 -0.496 -0.372 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.813 -1.157 -0.640 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.783 0.019 -1.425 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.373 -1.302 -1.961 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.342 -0.125 -2.746 1.00 0.00 C ATOM 122 CZ TYR A 8 5.137 -0.785 -3.014 1.00 0.00 C ATOM 123 OH TYR A 8 4.702 -0.927 -4.316 1.00 0.00 O ATOM 0 H TYR A 8 4.836 1.339 0.620 1.00 0.00 H new ATOM 0 HA TYR A 8 4.682 -1.141 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.115 0.556 1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.120 -1.186 1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.223 -1.555 0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.713 0.528 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.444 -1.813 -2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.932 0.273 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 8 5.348 -0.511 -4.924 1.00 0.00 H new ATOM 133 N ILE A 9 5.966 1.155 3.853 1.00 0.00 N ATOM 134 CA ILE A 9 6.389 1.380 5.264 1.00 0.00 C ATOM 135 C ILE A 9 5.226 1.056 6.201 1.00 0.00 C ATOM 136 O ILE A 9 4.117 1.516 6.013 1.00 0.00 O ATOM 137 CB ILE A 9 6.760 2.861 5.352 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.859 3.169 4.331 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.266 3.174 6.762 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.338 4.612 4.509 1.00 0.00 C ATOM 0 H ILE A 9 5.880 1.996 3.283 1.00 0.00 H new ATOM 0 HA ILE A 9 7.228 0.747 5.553 1.00 0.00 H new ATOM 0 HB ILE A 9 5.884 3.473 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.693 2.480 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.480 3.023 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.531 4.229 6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.484 2.951 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.144 2.565 6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.120 4.828 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.502 5.294 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.734 4.742 5.516 1.00 0.00 H new ATOM 152 N GLY A 10 5.463 0.251 7.197 1.00 0.00 N ATOM 153 CA GLY A 10 4.364 -0.116 8.126 1.00 0.00 C ATOM 154 C GLY A 10 3.264 -0.795 7.318 1.00 0.00 C ATOM 155 O GLY A 10 2.092 -0.683 7.621 1.00 0.00 O ATOM 0 H GLY A 10 6.369 -0.167 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.732 -0.785 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.976 0.772 8.625 1.00 0.00 H new ATOM 159 N ALA A 11 3.637 -1.494 6.281 1.00 0.00 N ATOM 160 CA ALA A 11 2.612 -2.179 5.437 1.00 0.00 C ATOM 161 C ALA A 11 2.885 -3.683 5.374 1.00 0.00 C ATOM 162 O ALA A 11 3.614 -4.225 6.182 1.00 0.00 O ATOM 163 CB ALA A 11 2.761 -1.550 4.050 1.00 0.00 C ATOM 0 H ALA A 11 4.603 -1.621 5.981 1.00 0.00 H new ATOM 0 HA ALA A 11 1.605 -2.060 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.041 -2.000 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.578 -0.477 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.771 -1.724 3.678 1.00 0.00 H new ATOM 169 N THR A 12 2.304 -4.363 4.422 1.00 0.00 N ATOM 170 CA THR A 12 2.533 -5.834 4.313 1.00 0.00 C ATOM 171 C THR A 12 2.337 -6.289 2.869 1.00 0.00 C ATOM 172 O THR A 12 1.229 -6.476 2.422 1.00 0.00 O ATOM 173 CB THR A 12 1.473 -6.472 5.213 1.00 0.00 C ATOM 174 OG1 THR A 12 1.844 -6.307 6.574 1.00 0.00 O ATOM 175 CG2 THR A 12 1.355 -7.962 4.888 1.00 0.00 C ATOM 0 H THR A 12 1.683 -3.966 3.717 1.00 0.00 H new ATOM 0 HA THR A 12 3.544 -6.115 4.608 1.00 0.00 H new ATOM 0 HB THR A 12 0.511 -5.989 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.599 -5.685 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.600 -8.416 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.066 -8.085 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.315 -8.449 5.058 1.00 0.00 H new ATOM 183 N VAL A 13 3.398 -6.474 2.137 1.00 0.00 N ATOM 184 CA VAL A 13 3.246 -6.920 0.721 1.00 0.00 C ATOM 185 C VAL A 13 3.340 -8.446 0.636 1.00 0.00 C ATOM 186 O VAL A 13 3.623 -9.116 1.610 1.00 0.00 O ATOM 187 CB VAL A 13 4.410 -6.265 -0.028 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.547 -4.805 0.410 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.710 -7.010 0.288 1.00 0.00 C ATOM 0 H VAL A 13 4.358 -6.338 2.452 1.00 0.00 H new ATOM 0 HA VAL A 13 2.281 -6.638 0.299 1.00 0.00 H new ATOM 0 HB VAL A 13 4.215 -6.308 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.376 -4.341 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.625 -4.269 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.738 -4.763 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.537 -6.542 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.901 -6.969 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.619 -8.050 -0.025 1.00 0.00 H new ATOM 199 N GLY A 14 3.106 -9.000 -0.522 1.00 0.00 N ATOM 200 CA GLY A 14 3.185 -10.482 -0.669 1.00 0.00 C ATOM 201 C GLY A 14 4.632 -10.888 -0.953 1.00 0.00 C ATOM 202 O GLY A 14 5.550 -10.131 -0.706 1.00 0.00 O ATOM 0 H GLY A 14 2.864 -8.491 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.831 -10.968 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.537 -10.813 -1.480 1.00 0.00 H new ATOM 206 N PRO A 15 4.786 -12.077 -1.469 1.00 0.00 N ATOM 207 CA PRO A 15 6.135 -12.597 -1.795 1.00 0.00 C ATOM 208 C PRO A 15 6.680 -11.915 -3.053 1.00 0.00 C ATOM 209 O PRO A 15 7.794 -11.429 -3.074 1.00 0.00 O ATOM 210 CB PRO A 15 5.896 -14.083 -2.042 1.00 0.00 C ATOM 211 CG PRO A 15 4.458 -14.185 -2.445 1.00 0.00 C ATOM 212 CD PRO A 15 3.728 -13.041 -1.791 1.00 0.00 C ATOM 0 HA PRO A 15 6.867 -12.414 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.553 -14.463 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.097 -14.669 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.358 -14.135 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.037 -15.140 -2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.985 -12.608 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.199 -13.366 -0.895 1.00 0.00 H new ATOM 220 N SER A 16 5.903 -11.872 -4.101 1.00 0.00 N ATOM 221 CA SER A 16 6.379 -11.220 -5.356 1.00 0.00 C ATOM 222 C SER A 16 6.699 -9.746 -5.095 1.00 0.00 C ATOM 223 O SER A 16 7.758 -9.261 -5.440 1.00 0.00 O ATOM 224 CB SER A 16 5.216 -11.353 -6.337 1.00 0.00 C ATOM 225 OG SER A 16 5.700 -11.858 -7.574 1.00 0.00 O ATOM 0 H SER A 16 4.960 -12.259 -4.143 1.00 0.00 H new ATOM 0 HA SER A 16 7.289 -11.679 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.457 -12.021 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.740 -10.384 -6.488 1.00 0.00 H new ATOM 0 HG SER A 16 4.955 -11.946 -8.205 1.00 0.00 H new ATOM 231 N VAL A 17 5.792 -9.030 -4.486 1.00 0.00 N ATOM 232 CA VAL A 17 6.051 -7.589 -4.205 1.00 0.00 C ATOM 233 C VAL A 17 7.264 -7.449 -3.283 1.00 0.00 C ATOM 234 O VAL A 17 8.185 -6.708 -3.560 1.00 0.00 O ATOM 235 CB VAL A 17 4.786 -7.084 -3.512 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.926 -5.588 -3.221 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.580 -7.314 -4.425 1.00 0.00 C ATOM 0 H VAL A 17 4.886 -9.379 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 17 6.269 -7.021 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 17 4.643 -7.624 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.024 -5.227 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.786 -5.422 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.068 -5.047 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.677 -6.954 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.723 -6.773 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.480 -8.379 -4.634 1.00 0.00 H new ATOM 247 N TRP A 18 7.274 -8.161 -2.191 1.00 0.00 N ATOM 248 CA TRP A 18 8.433 -8.074 -1.259 1.00 0.00 C ATOM 249 C TRP A 18 9.738 -8.117 -2.054 1.00 0.00 C ATOM 250 O TRP A 18 10.485 -7.160 -2.100 1.00 0.00 O ATOM 251 CB TRP A 18 8.315 -9.306 -0.365 1.00 0.00 C ATOM 252 CG TRP A 18 9.515 -9.399 0.521 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.622 -10.128 0.255 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.747 -8.757 1.808 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.520 -9.973 1.295 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.026 -9.137 2.277 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.980 -7.889 2.606 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.528 -8.675 3.493 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.481 -7.421 3.832 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.752 -7.813 4.275 1.00 0.00 C ATOM 0 H TRP A 18 6.531 -8.798 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 18 8.435 -7.150 -0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.409 -9.245 0.238 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.231 -10.205 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.779 -10.733 -0.626 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.435 -10.421 1.332 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.000 -7.580 2.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.508 -8.980 3.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.883 -6.755 4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.131 -7.450 5.219 1.00 0.00 H new ATOM 271 N ALA A 19 10.012 -9.224 -2.683 1.00 0.00 N ATOM 272 CA ALA A 19 11.266 -9.344 -3.482 1.00 0.00 C ATOM 273 C ALA A 19 11.492 -8.075 -4.308 1.00 0.00 C ATOM 274 O ALA A 19 12.591 -7.563 -4.391 1.00 0.00 O ATOM 275 CB ALA A 19 11.039 -10.547 -4.398 1.00 0.00 C ATOM 0 H ALA A 19 9.421 -10.055 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 19 12.146 -9.472 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.920 -10.702 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.861 -11.436 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.173 -10.362 -5.034 1.00 0.00 H new ATOM 281 N TYR A 20 10.460 -7.565 -4.917 1.00 0.00 N ATOM 282 CA TYR A 20 10.615 -6.328 -5.739 1.00 0.00 C ATOM 283 C TYR A 20 11.196 -5.199 -4.885 1.00 0.00 C ATOM 284 O TYR A 20 12.293 -4.732 -5.118 1.00 0.00 O ATOM 285 CB TYR A 20 9.201 -5.974 -6.201 1.00 0.00 C ATOM 286 CG TYR A 20 9.262 -4.815 -7.168 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.797 -4.998 -8.448 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.783 -3.557 -6.782 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.852 -3.924 -9.344 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.839 -2.482 -7.677 1.00 0.00 C ATOM 291 CZ TYR A 20 9.374 -2.666 -8.957 1.00 0.00 C ATOM 292 OH TYR A 20 9.430 -1.606 -9.841 1.00 0.00 O ATOM 0 H TYR A 20 9.515 -7.949 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 20 11.292 -6.475 -6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.737 -6.836 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.581 -5.713 -5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.168 -5.968 -8.745 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.370 -3.416 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.263 -4.065 -10.333 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.470 -1.512 -7.380 1.00 0.00 H new ATOM 0 HH TYR A 20 9.057 -0.806 -9.416 1.00 0.00 H new ATOM 302 N LEU A 21 10.469 -4.759 -3.896 1.00 0.00 N ATOM 303 CA LEU A 21 10.980 -3.662 -3.027 1.00 0.00 C ATOM 304 C LEU A 21 12.447 -3.915 -2.670 1.00 0.00 C ATOM 305 O LEU A 21 13.249 -3.003 -2.619 1.00 0.00 O ATOM 306 CB LEU A 21 10.105 -3.713 -1.774 1.00 0.00 C ATOM 307 CG LEU A 21 10.189 -2.375 -1.037 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.387 -2.457 0.263 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.652 -2.062 -0.713 1.00 0.00 C ATOM 0 H LEU A 21 9.543 -5.111 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 21 10.935 -2.689 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.071 -3.925 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.434 -4.521 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 21 9.779 -1.587 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.447 -1.504 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.345 -2.680 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.797 -3.245 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.712 -1.109 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.062 -2.851 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.225 -2.003 -1.638 1.00 0.00 H new ATOM 321 N VAL A 22 12.805 -5.146 -2.428 1.00 0.00 N ATOM 322 CA VAL A 22 14.221 -5.454 -2.079 1.00 0.00 C ATOM 323 C VAL A 22 15.157 -4.916 -3.160 1.00 0.00 C ATOM 324 O VAL A 22 16.059 -4.146 -2.893 1.00 0.00 O ATOM 325 CB VAL A 22 14.293 -6.979 -2.019 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.634 -7.405 -1.419 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.153 -7.509 -1.145 1.00 0.00 C ATOM 0 H VAL A 22 12.179 -5.951 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 22 14.524 -4.996 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 22 14.200 -7.386 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.684 -8.493 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.447 -7.028 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.728 -6.998 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.203 -8.597 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.246 -7.101 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.197 -7.207 -1.572 1.00 0.00 H new ATOM 337 N ALA A 23 14.946 -5.314 -4.382 1.00 0.00 N ATOM 338 CA ALA A 23 15.818 -4.828 -5.488 1.00 0.00 C ATOM 339 C ALA A 23 15.892 -3.299 -5.466 1.00 0.00 C ATOM 340 O ALA A 23 16.947 -2.715 -5.622 1.00 0.00 O ATOM 341 CB ALA A 23 15.141 -5.313 -6.770 1.00 0.00 C ATOM 0 H ALA A 23 14.206 -5.956 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 23 16.840 -5.198 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.725 -4.994 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.076 -6.401 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.138 -4.891 -6.834 1.00 0.00 H new ATOM 347 N LEU A 24 14.779 -2.646 -5.273 1.00 0.00 N ATOM 348 CA LEU A 24 14.783 -1.158 -5.239 1.00 0.00 C ATOM 349 C LEU A 24 15.779 -0.657 -4.190 1.00 0.00 C ATOM 350 O LEU A 24 16.533 0.266 -4.425 1.00 0.00 O ATOM 351 CB LEU A 24 13.357 -0.771 -4.851 1.00 0.00 C ATOM 352 CG LEU A 24 13.041 0.626 -5.389 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.147 0.621 -6.914 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.620 1.019 -4.979 1.00 0.00 C ATOM 0 H LEU A 24 13.866 -3.080 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 24 15.080 -0.722 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.650 -1.496 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.247 -0.788 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 24 13.751 1.343 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.922 1.616 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.158 0.339 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.437 -0.096 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.393 2.014 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.911 0.301 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.543 1.022 -3.892 1.00 0.00 H new ATOM 366 N VAL A 25 15.787 -1.262 -3.034 1.00 0.00 N ATOM 367 CA VAL A 25 16.736 -0.822 -1.968 1.00 0.00 C ATOM 368 C VAL A 25 17.573 -2.013 -1.477 1.00 0.00 C ATOM 369 O VAL A 25 18.644 -2.278 -1.986 1.00 0.00 O ATOM 370 CB VAL A 25 15.854 -0.248 -0.844 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.559 -1.055 -0.715 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.615 -0.293 0.483 1.00 0.00 C ATOM 0 H VAL A 25 15.179 -2.041 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 25 17.445 -0.077 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 25 15.605 0.784 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.947 -0.636 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.008 -1.012 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.799 -2.093 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.988 0.114 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.874 -1.325 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.526 0.300 0.400 1.00 0.00 H new ATOM 382 N GLY A 26 17.101 -2.733 -0.494 1.00 0.00 N ATOM 383 CA GLY A 26 17.877 -3.895 0.019 1.00 0.00 C ATOM 384 C GLY A 26 17.140 -4.514 1.207 1.00 0.00 C ATOM 385 O GLY A 26 16.219 -3.936 1.747 1.00 0.00 O ATOM 0 H GLY A 26 16.211 -2.565 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.006 -4.637 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.874 -3.575 0.322 1.00 0.00 H new ATOM 389 N ALA A 27 17.533 -5.689 1.614 1.00 0.00 N ATOM 390 CA ALA A 27 16.851 -6.348 2.762 1.00 0.00 C ATOM 391 C ALA A 27 16.989 -5.500 4.029 1.00 0.00 C ATOM 392 O ALA A 27 16.222 -5.637 4.962 1.00 0.00 O ATOM 393 CB ALA A 27 17.565 -7.688 2.933 1.00 0.00 C ATOM 0 H ALA A 27 18.298 -6.222 1.200 1.00 0.00 H new ATOM 0 HA ALA A 27 15.783 -6.474 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.118 -8.235 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.466 -8.272 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.621 -7.514 3.140 1.00 0.00 H new ATOM 399 N ALA A 28 17.956 -4.625 4.076 1.00 0.00 N ATOM 400 CA ALA A 28 18.129 -3.779 5.286 1.00 0.00 C ATOM 401 C ALA A 28 17.014 -2.739 5.354 1.00 0.00 C ATOM 402 O ALA A 28 16.203 -2.743 6.258 1.00 0.00 O ATOM 403 CB ALA A 28 19.490 -3.104 5.112 1.00 0.00 C ATOM 0 H ALA A 28 18.631 -4.461 3.329 1.00 0.00 H new ATOM 0 HA ALA A 28 18.084 -4.357 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.689 -2.461 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.267 -3.865 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.485 -2.504 4.202 1.00 0.00 H new ATOM 409 N ALA A 29 16.957 -1.853 4.401 1.00 0.00 N ATOM 410 CA ALA A 29 15.880 -0.827 4.414 1.00 0.00 C ATOM 411 C ALA A 29 14.525 -1.519 4.278 1.00 0.00 C ATOM 412 O ALA A 29 13.493 -0.959 4.593 1.00 0.00 O ATOM 413 CB ALA A 29 16.153 0.066 3.204 1.00 0.00 C ATOM 0 H ALA A 29 17.607 -1.795 3.617 1.00 0.00 H new ATOM 0 HA ALA A 29 15.864 -0.247 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.395 0.848 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.138 0.522 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.120 -0.534 2.294 1.00 0.00 H new ATOM 419 N VAL A 30 14.524 -2.739 3.814 1.00 0.00 N ATOM 420 CA VAL A 30 13.241 -3.476 3.663 1.00 0.00 C ATOM 421 C VAL A 30 12.753 -3.950 5.034 1.00 0.00 C ATOM 422 O VAL A 30 11.567 -4.037 5.287 1.00 0.00 O ATOM 423 CB VAL A 30 13.571 -4.670 2.766 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.454 -5.711 2.868 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.696 -4.198 1.316 1.00 0.00 C ATOM 0 H VAL A 30 15.357 -3.256 3.533 1.00 0.00 H new ATOM 0 HA VAL A 30 12.451 -2.858 3.236 1.00 0.00 H new ATOM 0 HB VAL A 30 14.513 -5.116 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.690 -6.562 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.364 -6.048 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.512 -5.266 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.931 -5.048 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.754 -3.752 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.492 -3.457 1.242 1.00 0.00 H new ATOM 435 N THR A 31 13.660 -4.254 5.924 1.00 0.00 N ATOM 436 CA THR A 31 13.248 -4.717 7.281 1.00 0.00 C ATOM 437 C THR A 31 13.177 -3.527 8.240 1.00 0.00 C ATOM 438 O THR A 31 12.579 -3.601 9.296 1.00 0.00 O ATOM 439 CB THR A 31 14.341 -5.695 7.715 1.00 0.00 C ATOM 440 OG1 THR A 31 14.634 -6.581 6.643 1.00 0.00 O ATOM 441 CG2 THR A 31 13.860 -6.496 8.926 1.00 0.00 C ATOM 0 H THR A 31 14.667 -4.202 5.770 1.00 0.00 H new ATOM 0 HA THR A 31 12.263 -5.185 7.280 1.00 0.00 H new ATOM 0 HB THR A 31 15.240 -5.140 7.984 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.492 -6.334 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.640 -7.193 9.234 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.636 -5.815 9.747 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.961 -7.052 8.661 1.00 0.00 H new ATOM 449 N ALA A 32 13.783 -2.428 7.880 1.00 0.00 N ATOM 450 CA ALA A 32 13.749 -1.232 8.768 1.00 0.00 C ATOM 451 C ALA A 32 12.513 -0.382 8.458 1.00 0.00 C ATOM 452 O ALA A 32 12.038 0.368 9.288 1.00 0.00 O ATOM 453 CB ALA A 32 15.026 -0.459 8.439 1.00 0.00 C ATOM 0 H ALA A 32 14.300 -2.307 7.009 1.00 0.00 H new ATOM 0 HA ALA A 32 13.696 -1.500 9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.076 0.440 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.894 -1.086 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.020 -0.178 7.386 1.00 0.00 H new ATOM 459 N ALA A 33 11.988 -0.494 7.268 1.00 0.00 N ATOM 460 CA ALA A 33 10.784 0.305 6.905 1.00 0.00 C ATOM 461 C ALA A 33 9.516 -0.395 7.402 1.00 0.00 C ATOM 462 O ALA A 33 8.415 -0.018 7.058 1.00 0.00 O ATOM 463 CB ALA A 33 10.797 0.372 5.378 1.00 0.00 C ATOM 0 H ALA A 33 12.341 -1.105 6.531 1.00 0.00 H new ATOM 0 HA ALA A 33 10.796 1.298 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.938 0.946 5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.715 0.855 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.747 -0.637 4.969 1.00 0.00 H new ATOM 469 N ASN A 34 9.663 -1.409 8.209 1.00 0.00 N ATOM 470 CA ASN A 34 8.469 -2.135 8.732 1.00 0.00 C ATOM 471 C ASN A 34 7.633 -2.700 7.578 1.00 0.00 C ATOM 472 O ASN A 34 6.567 -2.204 7.257 1.00 0.00 O ATOM 473 CB ASN A 34 7.681 -1.086 9.518 1.00 0.00 C ATOM 474 CG ASN A 34 6.456 -1.740 10.159 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.213 -2.915 9.973 1.00 0.00 O ATOM 476 ND2 ASN A 34 5.668 -1.022 10.912 1.00 0.00 N ATOM 0 H ASN A 34 10.562 -1.768 8.531 1.00 0.00 H new ATOM 0 HA ASN A 34 8.744 -2.985 9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.313 -0.642 10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.370 -0.278 8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.848 -1.448 11.344 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.872 -0.035 11.068 1.00 0.00 H new ATOM 483 N ILE A 35 8.110 -3.746 6.957 1.00 0.00 N ATOM 484 CA ILE A 35 7.353 -4.363 5.830 1.00 0.00 C ATOM 485 C ILE A 35 7.131 -5.851 6.114 1.00 0.00 C ATOM 486 O ILE A 35 8.063 -6.589 6.365 1.00 0.00 O ATOM 487 CB ILE A 35 8.244 -4.175 4.599 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.266 -2.695 4.211 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.693 -4.998 3.431 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.676 -2.303 3.769 1.00 0.00 C ATOM 0 H ILE A 35 8.995 -4.201 7.183 1.00 0.00 H new ATOM 0 HA ILE A 35 6.372 -3.911 5.687 1.00 0.00 H new ATOM 0 HB ILE A 35 9.255 -4.510 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.556 -2.509 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.955 -2.082 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.330 -4.861 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.675 -6.053 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.681 -4.667 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.691 -1.249 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.375 -2.473 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.969 -2.907 2.910 1.00 0.00 H new ATOM 502 N ARG A 36 5.907 -6.297 6.081 1.00 0.00 N ATOM 503 CA ARG A 36 5.635 -7.737 6.355 1.00 0.00 C ATOM 504 C ARG A 36 5.261 -8.463 5.061 1.00 0.00 C ATOM 505 O ARG A 36 4.638 -7.904 4.179 1.00 0.00 O ATOM 506 CB ARG A 36 4.457 -7.741 7.331 1.00 0.00 C ATOM 507 CG ARG A 36 4.689 -6.692 8.419 1.00 0.00 C ATOM 508 CD ARG A 36 4.052 -7.164 9.728 1.00 0.00 C ATOM 509 NE ARG A 36 3.201 -6.026 10.173 1.00 0.00 N ATOM 510 CZ ARG A 36 1.987 -6.248 10.596 1.00 0.00 C ATOM 511 NH1 ARG A 36 1.725 -7.314 11.302 1.00 0.00 N ATOM 512 NH2 ARG A 36 1.034 -5.401 10.315 1.00 0.00 N ATOM 0 H ARG A 36 5.084 -5.729 5.877 1.00 0.00 H new ATOM 0 HA ARG A 36 6.506 -8.249 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.530 -7.529 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.347 -8.728 7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.758 -6.529 8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.259 -5.737 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.458 -8.065 9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.811 -7.404 10.472 1.00 0.00 H new ATOM 0 HE ARG A 36 3.567 -5.074 10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.470 -7.975 11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.775 -7.486 11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.239 -4.567 9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.085 -5.574 10.645 1.00 0.00 H new ATOM 526 N ARG A 37 5.634 -9.709 4.944 1.00 0.00 N ATOM 527 CA ARG A 37 5.297 -10.476 3.713 1.00 0.00 C ATOM 528 C ARG A 37 3.940 -11.162 3.885 1.00 0.00 C ATOM 529 O ARG A 37 3.511 -11.442 4.987 1.00 0.00 O ATOM 530 CB ARG A 37 6.412 -11.513 3.572 1.00 0.00 C ATOM 531 CG ARG A 37 7.655 -10.847 2.979 1.00 0.00 C ATOM 532 CD ARG A 37 8.664 -11.923 2.569 1.00 0.00 C ATOM 533 NE ARG A 37 8.092 -12.539 1.341 1.00 0.00 N ATOM 534 CZ ARG A 37 8.210 -13.824 1.139 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.252 -14.292 0.508 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.287 -14.640 1.569 1.00 0.00 N ATOM 0 H ARG A 37 6.158 -10.228 5.649 1.00 0.00 H new ATOM 0 HA ARG A 37 5.225 -9.839 2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.647 -11.945 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.084 -12.331 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.380 -10.243 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.103 -10.173 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.645 -11.490 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.794 -12.663 3.358 1.00 0.00 H new ATOM 0 HE ARG A 37 7.608 -11.958 0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.974 -13.654 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.344 -15.295 0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.473 -14.274 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.380 -15.643 1.411 1.00 0.00 H new ATOM 550 N ALA A 38 3.257 -11.430 2.806 1.00 0.00 N ATOM 551 CA ALA A 38 1.927 -12.093 2.916 1.00 0.00 C ATOM 552 C ALA A 38 1.881 -13.345 2.035 1.00 0.00 C ATOM 553 O ALA A 38 2.679 -13.512 1.135 1.00 0.00 O ATOM 554 CB ALA A 38 0.925 -11.048 2.424 1.00 0.00 C ATOM 0 H ALA A 38 3.561 -11.219 1.856 1.00 0.00 H new ATOM 0 HA ALA A 38 1.710 -12.419 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.083 -11.459 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.986 -10.160 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.157 -10.778 1.394 1.00 0.00 H new ATOM 560 N SER A 39 0.953 -14.226 2.291 1.00 0.00 N ATOM 561 CA SER A 39 0.854 -15.470 1.474 1.00 0.00 C ATOM 562 C SER A 39 0.821 -15.127 -0.019 1.00 0.00 C ATOM 563 O SER A 39 1.215 -15.916 -0.854 1.00 0.00 O ATOM 564 CB SER A 39 -0.458 -16.122 1.902 1.00 0.00 C ATOM 565 OG SER A 39 -0.184 -17.384 2.495 1.00 0.00 O ATOM 0 H SER A 39 0.258 -14.138 3.032 1.00 0.00 H new ATOM 0 HA SER A 39 1.707 -16.131 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.982 -15.481 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.113 -16.247 1.040 1.00 0.00 H new ATOM 0 HG SER A 39 -1.025 -17.804 2.773 1.00 0.00 H new ATOM 571 N SER A 40 0.354 -13.957 -0.359 1.00 0.00 N ATOM 572 CA SER A 40 0.297 -13.568 -1.798 1.00 0.00 C ATOM 573 C SER A 40 0.068 -12.059 -1.927 1.00 0.00 C ATOM 574 O SER A 40 0.010 -11.344 -0.947 1.00 0.00 O ATOM 575 CB SER A 40 -0.891 -14.341 -2.370 1.00 0.00 C ATOM 576 OG SER A 40 -0.865 -15.676 -1.881 1.00 0.00 O ATOM 0 H SER A 40 0.010 -13.254 0.295 1.00 0.00 H new ATOM 0 HA SER A 40 1.223 -13.796 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.825 -13.856 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.849 -14.340 -3.459 1.00 0.00 H new ATOM 0 HG SER A 40 0.033 -16.050 -1.998 1.00 0.00 H new ATOM 582 N ASP A 41 -0.062 -11.571 -3.131 1.00 0.00 N ATOM 583 CA ASP A 41 -0.286 -10.109 -3.321 1.00 0.00 C ATOM 584 C ASP A 41 -1.526 -9.660 -2.543 1.00 0.00 C ATOM 585 O ASP A 41 -1.662 -8.509 -2.182 1.00 0.00 O ATOM 586 CB ASP A 41 -0.503 -9.933 -4.825 1.00 0.00 C ATOM 587 CG ASP A 41 0.851 -9.805 -5.525 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.858 -10.001 -4.866 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.857 -9.512 -6.709 1.00 0.00 O ATOM 0 H ASP A 41 -0.023 -12.120 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 41 0.551 -9.512 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.052 -10.785 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.107 -9.046 -5.015 1.00 0.00 H new ATOM 594 N ASN A 42 -2.432 -10.563 -2.283 1.00 0.00 N ATOM 595 CA ASN A 42 -3.664 -10.190 -1.530 1.00 0.00 C ATOM 596 C ASN A 42 -3.412 -10.291 -0.021 1.00 0.00 C ATOM 597 O ASN A 42 -3.252 -11.369 0.518 1.00 0.00 O ATOM 598 CB ASN A 42 -4.715 -11.211 -1.964 1.00 0.00 C ATOM 599 CG ASN A 42 -6.022 -10.489 -2.299 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.008 -9.387 -2.810 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.161 -11.069 -2.033 1.00 0.00 N ATOM 0 H ASN A 42 -2.373 -11.543 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.979 -9.166 -1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.361 -11.766 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.882 -11.937 -1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.038 -10.597 -2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.174 -11.994 -1.604 1.00 0.00 H new ATOM 608 N HIS A 43 -3.379 -9.180 0.667 1.00 0.00 N ATOM 609 CA HIS A 43 -3.144 -9.224 2.138 1.00 0.00 C ATOM 610 C HIS A 43 -3.885 -8.083 2.827 1.00 0.00 C ATOM 611 O HIS A 43 -4.480 -7.237 2.188 1.00 0.00 O ATOM 612 CB HIS A 43 -1.634 -9.064 2.330 1.00 0.00 C ATOM 613 CG HIS A 43 -1.073 -8.072 1.341 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.022 -6.707 1.599 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.499 -8.239 0.106 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.429 -6.115 0.541 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.095 -7.005 -0.397 1.00 0.00 N ATOM 0 H HIS A 43 -3.504 -8.247 0.274 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.506 -10.156 2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.425 -8.730 3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.142 -10.029 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.379 -9.185 -0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.247 -5.053 0.463 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.359 -6.820 -1.291 1.00 0.00 H new ATOM 625 N SER A 44 -3.850 -8.049 4.128 1.00 0.00 N ATOM 626 CA SER A 44 -4.547 -6.956 4.856 1.00 0.00 C ATOM 627 C SER A 44 -3.712 -5.679 4.789 1.00 0.00 C ATOM 628 O SER A 44 -2.505 -5.709 4.923 1.00 0.00 O ATOM 629 CB SER A 44 -4.665 -7.438 6.299 1.00 0.00 C ATOM 630 OG SER A 44 -3.626 -6.858 7.075 1.00 0.00 O ATOM 0 H SER A 44 -3.370 -8.729 4.717 1.00 0.00 H new ATOM 0 HA SER A 44 -5.524 -6.732 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.637 -7.162 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.600 -8.525 6.338 1.00 0.00 H new ATOM 0 HG SER A 44 -3.700 -7.165 8.003 1.00 0.00 H new ATOM 636 N CYS A 45 -4.339 -4.558 4.587 1.00 0.00 N ATOM 637 CA CYS A 45 -3.568 -3.287 4.517 1.00 0.00 C ATOM 638 C CYS A 45 -4.207 -2.224 5.408 1.00 0.00 C ATOM 639 O CYS A 45 -5.220 -2.450 6.047 1.00 0.00 O ATOM 640 CB CYS A 45 -3.606 -2.860 3.049 1.00 0.00 C ATOM 641 SG CYS A 45 -5.305 -2.942 2.430 1.00 0.00 S ATOM 0 H CYS A 45 -5.348 -4.465 4.468 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.544 -3.416 4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.220 -1.846 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.961 -3.508 2.455 1.00 0.00 H new ATOM 646 N ALA A 46 -3.616 -1.067 5.458 1.00 0.00 N ATOM 647 CA ALA A 46 -4.175 0.015 6.315 1.00 0.00 C ATOM 648 C ALA A 46 -4.463 -0.537 7.712 1.00 0.00 C ATOM 649 O ALA A 46 -5.435 -0.177 8.346 1.00 0.00 O ATOM 650 CB ALA A 46 -5.471 0.439 5.625 1.00 0.00 C ATOM 0 H ALA A 46 -2.770 -0.822 4.944 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.490 0.855 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.944 1.236 6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.248 0.798 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.147 -0.414 5.564 1.00 0.00 H new ATOM 656 N GLY A 47 -3.628 -1.421 8.189 1.00 0.00 N ATOM 657 CA GLY A 47 -3.857 -2.009 9.539 1.00 0.00 C ATOM 658 C GLY A 47 -5.089 -2.913 9.482 1.00 0.00 C ATOM 659 O GLY A 47 -5.375 -3.522 8.471 1.00 0.00 O ATOM 0 H GLY A 47 -2.798 -1.761 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.984 -2.581 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.003 -1.218 10.275 1.00 0.00 H new ATOM 663 N ASN A 48 -5.825 -3.002 10.554 1.00 0.00 N ATOM 664 CA ASN A 48 -7.038 -3.860 10.551 1.00 0.00 C ATOM 665 C ASN A 48 -8.241 -3.065 10.033 1.00 0.00 C ATOM 666 O ASN A 48 -9.363 -3.282 10.445 1.00 0.00 O ATOM 667 CB ASN A 48 -7.246 -4.262 12.012 1.00 0.00 C ATOM 668 CG ASN A 48 -7.476 -3.010 12.859 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.573 -2.489 12.908 1.00 0.00 O ATOM 670 ND2 ASN A 48 -6.482 -2.502 13.534 1.00 0.00 N ATOM 0 H ASN A 48 -5.638 -2.517 11.431 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.929 -4.731 9.904 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.100 -4.933 12.097 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.375 -4.806 12.378 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.625 -1.668 14.103 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.561 -2.939 13.493 1.00 0.00 H new ATOM 677 N ARG A 49 -8.014 -2.136 9.143 1.00 0.00 N ATOM 678 CA ARG A 49 -9.139 -1.321 8.613 1.00 0.00 C ATOM 679 C ARG A 49 -9.348 -1.579 7.118 1.00 0.00 C ATOM 680 O ARG A 49 -10.454 -1.503 6.619 1.00 0.00 O ATOM 681 CB ARG A 49 -8.710 0.125 8.848 1.00 0.00 C ATOM 682 CG ARG A 49 -8.983 0.509 10.303 1.00 0.00 C ATOM 683 CD ARG A 49 -9.839 1.777 10.345 1.00 0.00 C ATOM 684 NE ARG A 49 -8.897 2.885 10.027 1.00 0.00 N ATOM 685 CZ ARG A 49 -9.358 4.054 9.675 1.00 0.00 C ATOM 686 NH1 ARG A 49 -10.283 4.143 8.758 1.00 0.00 N ATOM 687 NH2 ARG A 49 -8.895 5.135 10.241 1.00 0.00 N ATOM 0 H ARG A 49 -7.096 -1.908 8.761 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.083 -1.563 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.650 0.242 8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.254 0.790 8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.495 -0.305 10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.043 0.675 10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.652 1.729 9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.294 1.914 11.326 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.890 2.730 10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.646 3.298 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.643 5.057 8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.173 5.066 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.255 6.049 9.966 1.00 0.00 H new ATOM 701 N GLY A 50 -8.302 -1.871 6.395 1.00 0.00 N ATOM 702 CA GLY A 50 -8.467 -2.116 4.934 1.00 0.00 C ATOM 703 C GLY A 50 -7.938 -3.505 4.569 1.00 0.00 C ATOM 704 O GLY A 50 -7.243 -4.141 5.338 1.00 0.00 O ATOM 0 H GLY A 50 -7.348 -1.950 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.519 -2.036 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.932 -1.354 4.367 1.00 0.00 H new ATOM 708 N TRP A 51 -8.267 -3.978 3.398 1.00 0.00 N ATOM 709 CA TRP A 51 -7.795 -5.324 2.962 1.00 0.00 C ATOM 710 C TRP A 51 -7.518 -5.304 1.454 1.00 0.00 C ATOM 711 O TRP A 51 -7.856 -4.358 0.773 1.00 0.00 O ATOM 712 CB TRP A 51 -8.957 -6.266 3.282 1.00 0.00 C ATOM 713 CG TRP A 51 -8.638 -7.076 4.499 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.246 -6.942 5.700 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.655 -8.141 4.655 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.700 -7.856 6.583 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.715 -8.617 5.987 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.727 -8.733 3.782 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -6.884 -9.646 6.434 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.889 -9.766 4.228 1.00 0.00 C ATOM 721 CH2 TRP A 51 -5.967 -10.222 5.551 1.00 0.00 C ATOM 0 H TRP A 51 -8.847 -3.486 2.719 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.874 -5.632 3.458 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.868 -5.690 3.446 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.145 -6.926 2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.030 -6.236 5.932 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -8.990 -7.955 7.556 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.658 -8.390 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -6.949 -9.994 7.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.179 -10.213 3.547 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.319 -11.018 5.888 1.00 0.00 H new ATOM 732 N CYS A 52 -6.905 -6.326 0.922 1.00 0.00 N ATOM 733 CA CYS A 52 -6.616 -6.330 -0.540 1.00 0.00 C ATOM 734 C CYS A 52 -7.490 -7.353 -1.271 1.00 0.00 C ATOM 735 O CYS A 52 -7.347 -8.547 -1.094 1.00 0.00 O ATOM 736 CB CYS A 52 -5.148 -6.728 -0.651 1.00 0.00 C ATOM 737 SG CYS A 52 -4.500 -6.193 -2.252 1.00 0.00 S ATOM 0 H CYS A 52 -6.594 -7.153 1.432 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.823 -5.360 -0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.574 -6.273 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.044 -7.808 -0.547 1.00 0.00 H new ATOM 742 N ARG A 53 -8.381 -6.892 -2.104 1.00 0.00 N ATOM 743 CA ARG A 53 -9.254 -7.830 -2.869 1.00 0.00 C ATOM 744 C ARG A 53 -9.267 -7.415 -4.340 1.00 0.00 C ATOM 745 O ARG A 53 -8.951 -6.290 -4.673 1.00 0.00 O ATOM 746 CB ARG A 53 -10.660 -7.676 -2.278 1.00 0.00 C ATOM 747 CG ARG A 53 -10.594 -7.498 -0.761 1.00 0.00 C ATOM 748 CD ARG A 53 -10.966 -6.057 -0.420 1.00 0.00 C ATOM 749 NE ARG A 53 -10.647 -5.905 1.025 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.433 -6.427 1.926 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.253 -7.660 2.313 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.398 -5.715 2.441 1.00 0.00 N ATOM 0 H ARG A 53 -8.544 -5.902 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.903 -8.860 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.157 -6.817 -2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.259 -8.554 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.277 -8.191 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.592 -7.726 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.399 -5.350 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.022 -5.866 -0.613 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.813 -5.392 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.498 -8.216 1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.867 -8.068 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.537 -4.751 2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.013 -6.123 3.145 1.00 0.00 H new ATOM 766 N SER A 54 -9.646 -8.293 -5.226 1.00 0.00 N ATOM 767 CA SER A 54 -9.689 -7.900 -6.660 1.00 0.00 C ATOM 768 C SER A 54 -10.478 -6.600 -6.776 1.00 0.00 C ATOM 769 O SER A 54 -10.039 -5.634 -7.367 1.00 0.00 O ATOM 770 CB SER A 54 -10.410 -9.047 -7.371 1.00 0.00 C ATOM 771 OG SER A 54 -11.699 -8.611 -7.786 1.00 0.00 O ATOM 0 H SER A 54 -9.924 -9.253 -5.023 1.00 0.00 H new ATOM 0 HA SER A 54 -8.703 -7.734 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.830 -9.376 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.501 -9.903 -6.703 1.00 0.00 H new ATOM 0 HG SER A 54 -12.161 -9.345 -8.243 1.00 0.00 H new ATOM 777 N LYS A 55 -11.639 -6.577 -6.192 1.00 0.00 N ATOM 778 CA LYS A 55 -12.482 -5.360 -6.225 1.00 0.00 C ATOM 779 C LYS A 55 -12.850 -4.927 -4.810 1.00 0.00 C ATOM 780 O LYS A 55 -12.462 -5.541 -3.837 1.00 0.00 O ATOM 781 CB LYS A 55 -13.733 -5.773 -6.988 1.00 0.00 C ATOM 782 CG LYS A 55 -13.522 -5.422 -8.444 1.00 0.00 C ATOM 783 CD LYS A 55 -14.590 -4.425 -8.898 1.00 0.00 C ATOM 784 CE LYS A 55 -14.299 -3.982 -10.333 1.00 0.00 C ATOM 785 NZ LYS A 55 -14.683 -2.543 -10.377 1.00 0.00 N ATOM 0 H LYS A 55 -12.044 -7.364 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.969 -4.519 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.914 -6.842 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.609 -5.258 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.529 -4.994 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.570 -6.323 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.578 -4.883 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.601 -3.560 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.247 -4.118 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.874 -4.566 -11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.512 -2.167 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.691 -2.445 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.114 -2.011 -9.688 1.00 0.00 H new ATOM 799 N CYS A 56 -13.607 -3.880 -4.698 1.00 0.00 N ATOM 800 CA CYS A 56 -14.022 -3.402 -3.346 1.00 0.00 C ATOM 801 C CYS A 56 -15.547 -3.303 -3.272 1.00 0.00 C ATOM 802 O CYS A 56 -16.231 -3.352 -4.276 1.00 0.00 O ATOM 803 CB CYS A 56 -13.382 -2.021 -3.186 1.00 0.00 C ATOM 804 SG CYS A 56 -11.651 -2.082 -3.718 1.00 0.00 S ATOM 0 H CYS A 56 -13.960 -3.330 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.706 -4.082 -2.555 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.928 -1.286 -3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.441 -1.701 -2.146 1.00 0.00 H new ATOM 809 N PHE A 57 -16.089 -3.166 -2.093 1.00 0.00 N ATOM 810 CA PHE A 57 -17.569 -3.068 -1.962 1.00 0.00 C ATOM 811 C PHE A 57 -18.040 -1.651 -2.295 1.00 0.00 C ATOM 812 O PHE A 57 -17.247 -0.746 -2.466 1.00 0.00 O ATOM 813 CB PHE A 57 -17.855 -3.400 -0.497 1.00 0.00 C ATOM 814 CG PHE A 57 -17.277 -4.755 -0.168 1.00 0.00 C ATOM 815 CD1 PHE A 57 -17.881 -5.914 -0.672 1.00 0.00 C ATOM 816 CD2 PHE A 57 -16.138 -4.854 0.639 1.00 0.00 C ATOM 817 CE1 PHE A 57 -17.346 -7.171 -0.368 1.00 0.00 C ATOM 818 CE2 PHE A 57 -15.602 -6.112 0.942 1.00 0.00 C ATOM 819 CZ PHE A 57 -16.207 -7.270 0.438 1.00 0.00 C ATOM 0 H PHE A 57 -15.571 -3.118 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.090 -3.740 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.420 -2.640 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.930 -3.397 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -18.760 -5.838 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.672 -3.961 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.813 -8.065 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.722 -6.189 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.794 -8.240 0.672 1.00 0.00 H new ATOM 829 N ARG A 58 -19.325 -1.451 -2.393 1.00 0.00 N ATOM 830 CA ARG A 58 -19.848 -0.097 -2.718 1.00 0.00 C ATOM 831 C ARG A 58 -19.655 0.842 -1.528 1.00 0.00 C ATOM 832 O ARG A 58 -19.315 1.997 -1.685 1.00 0.00 O ATOM 833 CB ARG A 58 -21.334 -0.304 -3.010 1.00 0.00 C ATOM 834 CG ARG A 58 -21.798 0.718 -4.049 1.00 0.00 C ATOM 835 CD ARG A 58 -22.741 0.042 -5.048 1.00 0.00 C ATOM 836 NE ARG A 58 -23.669 1.119 -5.488 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.958 0.966 -5.356 1.00 0.00 C ATOM 838 NH1 ARG A 58 -25.441 0.411 -4.277 1.00 0.00 N ATOM 839 NH2 ARG A 58 -25.764 1.368 -6.300 1.00 0.00 N ATOM 0 H ARG A 58 -20.037 -2.170 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.330 0.355 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.506 -1.316 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.914 -0.195 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -22.307 1.547 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.938 1.137 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.190 -0.374 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -23.283 -0.782 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.297 1.978 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -24.811 0.098 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -26.448 0.291 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.387 1.802 -7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -26.772 1.248 -6.196 1.00 0.00 H new ATOM 853 N HIS A 59 -19.863 0.352 -0.338 1.00 0.00 N ATOM 854 CA HIS A 59 -19.684 1.214 0.861 1.00 0.00 C ATOM 855 C HIS A 59 -18.195 1.496 1.081 1.00 0.00 C ATOM 856 O HIS A 59 -17.818 2.224 1.978 1.00 0.00 O ATOM 857 CB HIS A 59 -20.254 0.398 2.020 1.00 0.00 C ATOM 858 CG HIS A 59 -21.724 0.173 1.799 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.533 1.114 1.181 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.547 -0.882 2.109 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.780 0.612 1.139 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.844 -0.602 1.691 1.00 0.00 N ATOM 0 H HIS A 59 -20.149 -0.608 -0.145 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.181 2.179 0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.736 -0.558 2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.093 0.922 2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.235 -1.791 2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.627 1.128 0.711 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.667 -1.197 1.786 1.00 0.00 H new ATOM 870 N GLU A 60 -17.345 0.922 0.271 1.00 0.00 N ATOM 871 CA GLU A 60 -15.885 1.153 0.438 1.00 0.00 C ATOM 872 C GLU A 60 -15.274 1.636 -0.879 1.00 0.00 C ATOM 873 O GLU A 60 -15.970 1.905 -1.838 1.00 0.00 O ATOM 874 CB GLU A 60 -15.318 -0.214 0.817 1.00 0.00 C ATOM 875 CG GLU A 60 -15.458 -0.426 2.325 1.00 0.00 C ATOM 876 CD GLU A 60 -14.315 -1.314 2.824 1.00 0.00 C ATOM 877 OE1 GLU A 60 -13.676 -1.943 1.998 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.100 -1.348 4.025 1.00 0.00 O ATOM 0 H GLU A 60 -17.601 0.303 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.667 1.913 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.846 -1.000 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.269 -0.278 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.439 0.534 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.418 -0.890 2.550 1.00 0.00 H new ATOM 885 N TYR A 61 -13.976 1.736 -0.936 1.00 0.00 N ATOM 886 CA TYR A 61 -13.317 2.189 -2.193 1.00 0.00 C ATOM 887 C TYR A 61 -11.992 1.455 -2.379 1.00 0.00 C ATOM 888 O TYR A 61 -11.729 0.453 -1.744 1.00 0.00 O ATOM 889 CB TYR A 61 -13.074 3.688 -2.013 1.00 0.00 C ATOM 890 CG TYR A 61 -12.081 3.916 -0.899 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.423 3.599 0.422 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.816 4.445 -1.185 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.502 3.812 1.455 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.895 4.657 -0.152 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.238 4.342 1.168 1.00 0.00 C ATOM 896 OH TYR A 61 -9.330 4.552 2.185 1.00 0.00 O ATOM 0 H TYR A 61 -13.342 1.524 -0.166 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.929 1.985 -3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.698 4.119 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.013 4.193 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.398 3.190 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.551 4.690 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.767 3.568 2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.919 5.064 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.503 4.923 1.813 1.00 0.00 H new ATOM 906 N VAL A 62 -11.154 1.953 -3.242 1.00 0.00 N ATOM 907 CA VAL A 62 -9.841 1.288 -3.471 1.00 0.00 C ATOM 908 C VAL A 62 -8.711 2.158 -2.917 1.00 0.00 C ATOM 909 O VAL A 62 -8.165 2.990 -3.611 1.00 0.00 O ATOM 910 CB VAL A 62 -9.721 1.157 -4.989 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.308 0.699 -5.353 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.733 0.127 -5.493 1.00 0.00 C ATOM 0 H VAL A 62 -11.320 2.791 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.774 0.320 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.921 2.123 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.223 0.606 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.584 1.431 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.108 -0.267 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.648 0.033 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.532 -0.838 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.741 0.451 -5.235 1.00 0.00 H new ATOM 922 N ASP A 63 -8.362 1.971 -1.671 1.00 0.00 N ATOM 923 CA ASP A 63 -7.266 2.790 -1.071 1.00 0.00 C ATOM 924 C ASP A 63 -6.113 2.940 -2.066 1.00 0.00 C ATOM 925 O ASP A 63 -5.225 2.114 -2.133 1.00 0.00 O ATOM 926 CB ASP A 63 -6.815 2.007 0.163 1.00 0.00 C ATOM 927 CG ASP A 63 -6.071 2.942 1.118 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.939 4.109 0.788 1.00 0.00 O ATOM 929 OD2 ASP A 63 -5.649 2.476 2.162 1.00 0.00 O ATOM 0 H ASP A 63 -8.787 1.288 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.595 3.797 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.678 1.570 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.167 1.182 -0.134 1.00 0.00 H new ATOM 934 N THR A 64 -6.126 3.987 -2.843 1.00 0.00 N ATOM 935 CA THR A 64 -5.037 4.192 -3.841 1.00 0.00 C ATOM 936 C THR A 64 -3.676 4.247 -3.144 1.00 0.00 C ATOM 937 O THR A 64 -2.660 3.900 -3.713 1.00 0.00 O ATOM 938 CB THR A 64 -5.354 5.534 -4.503 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.009 6.381 -3.568 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.263 5.305 -5.710 1.00 0.00 C ATOM 0 H THR A 64 -6.844 4.711 -2.831 1.00 0.00 H new ATOM 0 HA THR A 64 -4.987 3.379 -4.566 1.00 0.00 H new ATOM 0 HB THR A 64 -4.428 6.005 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.969 6.406 -3.766 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.489 6.261 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.759 4.657 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.190 4.834 -5.383 1.00 0.00 H new ATOM 948 N TYR A 65 -3.647 4.683 -1.916 1.00 0.00 N ATOM 949 CA TYR A 65 -2.352 4.763 -1.184 1.00 0.00 C ATOM 950 C TYR A 65 -1.815 3.361 -0.889 1.00 0.00 C ATOM 951 O TYR A 65 -0.663 3.062 -1.137 1.00 0.00 O ATOM 952 CB TYR A 65 -2.679 5.489 0.120 1.00 0.00 C ATOM 953 CG TYR A 65 -1.413 6.067 0.704 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.773 7.137 0.067 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.876 5.531 1.880 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.402 7.672 0.607 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.299 6.066 2.421 1.00 0.00 C ATOM 958 CZ TYR A 65 0.939 7.136 1.784 1.00 0.00 C ATOM 959 OH TYR A 65 2.098 7.663 2.317 1.00 0.00 O ATOM 0 H TYR A 65 -4.464 4.988 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.587 5.280 -1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.403 6.283 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.137 4.799 0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.186 7.550 -0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.368 4.704 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.895 8.498 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.712 5.653 3.330 1.00 0.00 H new ATOM 0 HH TYR A 65 2.557 8.199 1.637 1.00 0.00 H new ATOM 969 N TYR A 66 -2.637 2.503 -0.352 1.00 0.00 N ATOM 970 CA TYR A 66 -2.164 1.125 -0.030 1.00 0.00 C ATOM 971 C TYR A 66 -2.221 0.227 -1.268 1.00 0.00 C ATOM 972 O TYR A 66 -1.721 -0.882 -1.263 1.00 0.00 O ATOM 973 CB TYR A 66 -3.110 0.627 1.058 1.00 0.00 C ATOM 974 CG TYR A 66 -2.573 1.060 2.401 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.946 2.297 2.938 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.691 0.231 3.100 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.437 2.704 4.176 1.00 0.00 C ATOM 978 CE2 TYR A 66 -1.182 0.636 4.339 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.555 1.874 4.877 1.00 0.00 C ATOM 980 OH TYR A 66 -1.053 2.275 6.099 1.00 0.00 O ATOM 0 H TYR A 66 -3.612 2.694 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.126 1.114 0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.110 1.031 0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.195 -0.459 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.627 2.938 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.402 -0.723 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.725 3.659 4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.502 -0.006 4.880 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.457 1.582 6.451 1.00 0.00 H new ATOM 990 N SER A 67 -2.807 0.695 -2.336 1.00 0.00 N ATOM 991 CA SER A 67 -2.864 -0.139 -3.568 1.00 0.00 C ATOM 992 C SER A 67 -1.456 -0.643 -3.898 1.00 0.00 C ATOM 993 O SER A 67 -1.280 -1.627 -4.589 1.00 0.00 O ATOM 994 CB SER A 67 -3.371 0.798 -4.662 1.00 0.00 C ATOM 995 OG SER A 67 -3.846 0.025 -5.758 1.00 0.00 O ATOM 0 H SER A 67 -3.246 1.613 -2.408 1.00 0.00 H new ATOM 0 HA SER A 67 -3.510 -1.011 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.170 1.430 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.570 1.461 -4.989 1.00 0.00 H new ATOM 0 HG SER A 67 -4.174 0.623 -6.462 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.451 0.030 -3.400 1.00 0.00 N ATOM 1002 CA ALA A 68 0.950 -0.397 -3.673 1.00 0.00 C ATOM 1003 C ALA A 68 1.240 -1.737 -2.989 1.00 0.00 C ATOM 1004 O ALA A 68 1.411 -2.748 -3.641 1.00 0.00 O ATOM 1005 CB ALA A 68 1.824 0.708 -3.079 1.00 0.00 C ATOM 0 H ALA A 68 -0.543 0.860 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 68 1.138 -0.538 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.875 0.467 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.591 1.656 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.630 0.790 -2.010 1.00 0.00 H new ATOM 1011 N VAL A 69 1.301 -1.759 -1.682 1.00 0.00 N ATOM 1012 CA VAL A 69 1.585 -3.048 -0.987 1.00 0.00 C ATOM 1013 C VAL A 69 0.712 -4.149 -1.586 1.00 0.00 C ATOM 1014 O VAL A 69 1.090 -5.302 -1.627 1.00 0.00 O ATOM 1015 CB VAL A 69 1.241 -2.815 0.490 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.261 -2.606 0.660 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.678 -4.024 1.315 1.00 0.00 C ATOM 0 H VAL A 69 1.168 -0.951 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 69 2.624 -3.359 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 69 1.765 -1.923 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.489 -2.442 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.575 -1.737 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.793 -3.489 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.433 -3.857 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.160 -4.914 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.754 -4.165 1.212 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.450 -3.797 -2.060 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.352 -4.817 -2.668 1.00 0.00 C ATOM 1029 C CYS A 70 -0.673 -5.483 -3.868 1.00 0.00 C ATOM 1030 O CYS A 70 -0.294 -6.636 -3.819 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.582 -4.032 -3.119 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.922 -4.286 -1.933 1.00 0.00 S ATOM 0 H CYS A 70 -0.816 -2.845 -2.053 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.605 -5.613 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.343 -2.971 -3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.893 -4.359 -4.111 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.518 -4.765 -4.948 1.00 0.00 N ATOM 1038 CA GLY A 71 0.133 -5.357 -6.151 1.00 0.00 C ATOM 1039 C GLY A 71 -0.934 -5.682 -7.199 1.00 0.00 C ATOM 1040 O GLY A 71 -1.591 -4.804 -7.723 1.00 0.00 O ATOM 0 H GLY A 71 -0.814 -3.794 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.863 -4.660 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.676 -6.261 -5.876 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.113 -6.938 -7.509 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.141 -7.315 -8.523 1.00 0.00 C ATOM 1046 C ARG A 72 -3.529 -6.877 -8.049 1.00 0.00 C ATOM 1047 O ARG A 72 -4.339 -6.403 -8.821 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.062 -8.838 -8.621 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.316 -9.228 -9.898 1.00 0.00 C ATOM 1050 CD ARG A 72 -1.944 -10.490 -10.494 1.00 0.00 C ATOM 1051 NE ARG A 72 -1.185 -11.619 -9.888 1.00 0.00 N ATOM 1052 CZ ARG A 72 -1.690 -12.823 -9.893 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -2.930 -13.011 -9.533 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -0.956 -13.838 -10.258 1.00 0.00 N ATOM 0 H ARG A 72 -0.594 -7.718 -7.105 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.968 -6.838 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.549 -9.243 -7.749 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.065 -9.265 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.359 -8.412 -10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.263 -9.403 -9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.005 -10.554 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.862 -10.497 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.270 -11.452 -9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.504 -12.218 -9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.325 -13.951 -9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.013 -13.691 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.351 -14.778 -10.262 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.806 -7.028 -6.783 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.138 -6.617 -6.256 1.00 0.00 C ATOM 1070 C TYR A 73 -5.075 -5.174 -5.751 1.00 0.00 C ATOM 1071 O TYR A 73 -4.055 -4.521 -5.840 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.420 -7.570 -5.094 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.554 -8.981 -5.610 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.404 -9.256 -6.687 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -4.830 -10.016 -5.008 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.530 -10.566 -7.163 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -4.957 -11.327 -5.481 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.806 -11.602 -6.559 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.931 -12.894 -7.027 1.00 0.00 O ATOM 0 H TYR A 73 -3.167 -7.418 -6.090 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.915 -6.663 -7.019 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.613 -7.516 -4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.335 -7.272 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.963 -8.457 -7.151 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.173 -9.803 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.185 -10.778 -7.995 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.400 -12.126 -5.014 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.360 -13.490 -6.498 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.153 -4.675 -5.213 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.145 -3.278 -4.694 1.00 0.00 C ATOM 1091 C PHE A 74 -6.522 -3.278 -3.214 1.00 0.00 C ATOM 1092 O PHE A 74 -7.324 -4.075 -2.769 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.201 -2.518 -5.505 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.197 -2.990 -6.937 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.834 -4.189 -7.275 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.563 -2.228 -7.925 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.838 -4.628 -8.604 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.568 -2.668 -9.256 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.206 -3.867 -9.594 1.00 0.00 C ATOM 0 H PHE A 74 -7.037 -5.173 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.162 -2.817 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.187 -2.672 -5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.999 -1.448 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.322 -4.775 -6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.071 -1.303 -7.663 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.329 -5.554 -8.865 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.080 -2.082 -10.020 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.211 -4.205 -10.620 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.958 -2.391 -2.446 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.297 -2.347 -0.998 1.00 0.00 C ATOM 1111 C CYS A 75 -7.557 -1.509 -0.791 1.00 0.00 C ATOM 1112 O CYS A 75 -7.507 -0.295 -0.764 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.093 -1.690 -0.322 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.529 -1.232 1.376 1.00 0.00 S ATOM 0 H CYS A 75 -5.279 -1.696 -2.757 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.495 -3.336 -0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.245 -2.375 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.786 -0.806 -0.881 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.689 -2.141 -0.648 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.943 -1.366 -0.447 1.00 0.00 C ATOM 1121 C CYS A 76 -10.027 -0.891 1.002 1.00 0.00 C ATOM 1122 O CYS A 76 -9.319 -1.372 1.865 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.076 -2.343 -0.759 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.731 -3.204 -2.312 1.00 0.00 S ATOM 0 H CYS A 76 -8.799 -3.155 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.991 -0.481 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.181 -3.064 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.022 -1.806 -0.832 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.877 0.055 1.274 1.00 0.00 N ATOM 1130 CA ARG A 77 -10.991 0.567 2.669 1.00 0.00 C ATOM 1131 C ARG A 77 -12.383 1.149 2.918 1.00 0.00 C ATOM 1132 O ARG A 77 -13.254 1.093 2.073 1.00 0.00 O ATOM 1133 CB ARG A 77 -9.935 1.668 2.768 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.616 1.075 3.263 1.00 0.00 C ATOM 1135 CD ARG A 77 -7.761 2.187 3.873 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.613 2.781 4.939 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.331 3.962 5.418 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.177 4.513 5.158 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -9.204 4.593 6.156 1.00 0.00 N ATOM 0 H ARG A 77 -11.497 0.496 0.595 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.842 -0.222 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.791 2.136 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.272 2.448 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.808 0.299 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.084 0.602 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.832 1.791 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.487 2.931 3.125 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.417 2.265 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.495 4.021 4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.957 5.436 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.107 4.163 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.983 5.516 6.530 1.00 0.00 H new ATOM 1153 N SER A 78 -12.591 1.714 4.075 1.00 0.00 N ATOM 1154 CA SER A 78 -13.922 2.308 4.387 1.00 0.00 C ATOM 1155 C SER A 78 -13.810 3.832 4.483 1.00 0.00 C ATOM 1156 O SER A 78 -13.350 4.370 5.471 1.00 0.00 O ATOM 1157 CB SER A 78 -14.313 1.712 5.738 1.00 0.00 C ATOM 1158 OG SER A 78 -15.724 1.535 5.783 1.00 0.00 O ATOM 0 H SER A 78 -11.897 1.790 4.818 1.00 0.00 H new ATOM 0 HA SER A 78 -14.663 2.092 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.810 0.756 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.991 2.370 6.545 1.00 0.00 H new ATOM 0 HG SER A 78 -15.978 1.151 6.648 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.224 4.533 3.462 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.140 6.021 3.497 1.00 0.00 C ATOM 1166 C ARG A 79 -15.092 6.581 4.556 1.00 0.00 C ATOM 1167 O ARG A 79 -15.012 7.768 4.828 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.566 6.474 2.100 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.729 7.682 1.676 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.886 7.317 0.452 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.635 8.112 0.598 1.00 0.00 N ATOM 1172 CZ ARG A 79 -10.927 8.412 -0.456 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -11.461 9.103 -1.427 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -9.685 8.022 -0.541 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.883 5.813 5.078 1.00 0.00 O ATOM 0 H ARG A 79 -14.616 4.140 2.606 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.140 6.372 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.436 5.660 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.625 6.733 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.380 8.525 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.082 7.995 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.674 6.248 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.406 7.564 -0.474 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.332 8.422 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.432 9.408 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.907 9.337 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.267 7.482 0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.132 8.257 -1.365 1.00 0.00 H new TER 1189 ARG A 79