USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 VAL N :NH3+ 138:sc= -1.76! (180deg=-2.89!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -2.52! C(o=-2.5!,f=-3.3!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 9 SER OG : rot -155:sc= -4.48! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -2.01! (180deg=-2.84!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 136:sc= -2.71 (180deg=-5.73!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.206) USER MOD Single : A 34 ASN : amide:sc= -2.1! C(o=-2.1!,f=-0.54!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.39! X(o=-2.4!,f=-2.2) USER MOD Single : A 52 ASN : amide:sc= -0.095 K(o=-0.095,f=-1.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.4!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.301 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.231 -11.948 -0.402 1.00 0.00 N ATOM 2 CA VAL A 1 -0.404 -11.397 0.711 1.00 0.00 C ATOM 3 C VAL A 1 -1.307 -10.896 1.841 1.00 0.00 C ATOM 4 O VAL A 1 -1.862 -9.817 1.772 1.00 0.00 O ATOM 5 CB VAL A 1 0.370 -10.235 0.089 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.362 -10.776 -0.942 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.609 -9.281 -0.597 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.837 -11.638 -1.313 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.225 -12.987 -0.358 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.208 -11.603 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 1 0.260 -12.145 1.143 1.00 0.00 H new ATOM 0 HB VAL A 1 0.913 -9.701 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.914 -9.947 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.060 -11.456 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.820 -11.310 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.058 -8.452 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.152 -9.815 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.316 -8.895 0.137 1.00 0.00 H new ATOM 19 N THR A 2 -1.461 -11.669 2.880 1.00 0.00 N ATOM 20 CA THR A 2 -2.331 -11.232 4.009 1.00 0.00 C ATOM 21 C THR A 2 -1.562 -11.294 5.332 1.00 0.00 C ATOM 22 O THR A 2 -0.656 -12.086 5.499 1.00 0.00 O ATOM 23 CB THR A 2 -3.496 -12.222 4.023 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.104 -12.253 2.740 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.524 -11.789 5.068 1.00 0.00 C ATOM 0 H THR A 2 -1.023 -12.583 2.997 1.00 0.00 H new ATOM 0 HA THR A 2 -2.670 -10.203 3.888 1.00 0.00 H new ATOM 0 HB THR A 2 -3.126 -13.216 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.850 -12.888 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.354 -12.496 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.056 -11.767 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.897 -10.795 4.822 1.00 0.00 H new ATOM 33 N VAL A 3 -1.926 -10.469 6.275 1.00 0.00 N ATOM 34 CA VAL A 3 -1.226 -10.483 7.591 1.00 0.00 C ATOM 35 C VAL A 3 -1.902 -11.486 8.528 1.00 0.00 C ATOM 36 O VAL A 3 -3.040 -11.313 8.920 1.00 0.00 O ATOM 37 CB VAL A 3 -1.365 -9.060 8.132 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.741 -8.981 9.526 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.644 -8.087 7.195 1.00 0.00 C ATOM 0 H VAL A 3 -2.678 -9.785 6.191 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.181 -10.780 7.504 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.421 -8.795 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.840 -7.966 9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.252 -9.675 10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.315 -9.246 9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.742 -7.072 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.412 -8.353 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.088 -8.143 6.201 1.00 0.00 H new ATOM 49 N GLN A 4 -1.218 -12.537 8.886 1.00 0.00 N ATOM 50 CA GLN A 4 -1.831 -13.550 9.790 1.00 0.00 C ATOM 51 C GLN A 4 -1.187 -13.491 11.177 1.00 0.00 C ATOM 52 O GLN A 4 -0.005 -13.727 11.335 1.00 0.00 O ATOM 53 CB GLN A 4 -1.547 -14.898 9.127 1.00 0.00 C ATOM 54 CG GLN A 4 -2.230 -16.012 9.925 1.00 0.00 C ATOM 55 CD GLN A 4 -1.775 -17.373 9.395 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.616 -17.722 9.496 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.646 -18.163 8.829 1.00 0.00 N ATOM 0 H GLN A 4 -0.262 -12.738 8.592 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.898 -13.379 9.931 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.913 -14.895 8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.472 -15.074 9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.982 -15.921 10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.313 -15.921 9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.620 -17.871 8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.353 -19.073 8.472 1.00 0.00 H new ATOM 66 N ASP A 5 -1.958 -13.186 12.182 1.00 0.00 N ATOM 67 CA ASP A 5 -1.397 -13.121 13.561 1.00 0.00 C ATOM 68 C ASP A 5 -1.709 -14.421 14.307 1.00 0.00 C ATOM 69 O ASP A 5 -1.454 -14.548 15.488 1.00 0.00 O ATOM 70 CB ASP A 5 -2.101 -11.938 14.223 1.00 0.00 C ATOM 71 CG ASP A 5 -3.610 -12.190 14.243 1.00 0.00 C ATOM 72 OD1 ASP A 5 -4.013 -13.286 13.888 1.00 0.00 O ATOM 73 OD2 ASP A 5 -4.337 -11.283 14.614 1.00 0.00 O ATOM 0 H ASP A 5 -2.954 -12.978 12.109 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.314 -12.998 13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.730 -11.803 15.239 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.882 -11.019 13.679 1.00 0.00 H new ATOM 78 N GLY A 6 -2.264 -15.384 13.624 1.00 0.00 N ATOM 79 CA GLY A 6 -2.598 -16.674 14.288 1.00 0.00 C ATOM 80 C GLY A 6 -3.098 -17.670 13.240 1.00 0.00 C ATOM 81 O GLY A 6 -2.619 -17.706 12.124 1.00 0.00 O ATOM 0 H GLY A 6 -2.501 -15.332 12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.719 -17.073 14.795 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.362 -16.517 15.050 1.00 0.00 H new ATOM 85 N ASN A 7 -4.057 -18.481 13.591 1.00 0.00 N ATOM 86 CA ASN A 7 -4.588 -19.477 12.617 1.00 0.00 C ATOM 87 C ASN A 7 -5.574 -18.811 11.653 1.00 0.00 C ATOM 88 O ASN A 7 -6.176 -19.462 10.821 1.00 0.00 O ATOM 89 CB ASN A 7 -5.301 -20.524 13.474 1.00 0.00 C ATOM 90 CG ASN A 7 -4.305 -21.143 14.457 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.160 -21.368 14.119 1.00 0.00 O ATOM 92 ND2 ASN A 7 -4.696 -21.430 15.669 1.00 0.00 N ATOM 0 H ASN A 7 -4.497 -18.498 14.511 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.799 -19.915 12.006 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.126 -20.064 14.017 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.730 -21.299 12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.040 -21.843 16.332 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.657 -21.241 15.953 1.00 0.00 H new ATOM 99 N PHE A 8 -5.750 -17.522 11.757 1.00 0.00 N ATOM 100 CA PHE A 8 -6.701 -16.824 10.844 1.00 0.00 C ATOM 101 C PHE A 8 -5.971 -15.754 10.027 1.00 0.00 C ATOM 102 O PHE A 8 -5.107 -15.060 10.525 1.00 0.00 O ATOM 103 CB PHE A 8 -7.734 -16.180 11.770 1.00 0.00 C ATOM 104 CG PHE A 8 -8.375 -17.249 12.623 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.810 -17.593 13.857 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.533 -17.897 12.179 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.406 -18.584 14.647 1.00 0.00 C ATOM 108 CE2 PHE A 8 -10.128 -18.888 12.968 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.564 -19.232 14.202 1.00 0.00 C ATOM 0 H PHE A 8 -5.277 -16.922 12.433 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.160 -17.506 10.128 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.256 -15.432 12.403 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.493 -15.663 11.183 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.915 -17.094 14.199 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.968 -17.632 11.227 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.972 -18.848 15.600 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.022 -19.387 12.625 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.022 -19.997 14.811 1.00 0.00 H new ATOM 119 N SER A 9 -6.316 -15.613 8.775 1.00 0.00 N ATOM 120 CA SER A 9 -5.647 -14.586 7.925 1.00 0.00 C ATOM 121 C SER A 9 -6.358 -13.238 8.076 1.00 0.00 C ATOM 122 O SER A 9 -7.559 -13.139 7.918 1.00 0.00 O ATOM 123 CB SER A 9 -5.783 -15.108 6.494 1.00 0.00 C ATOM 124 OG SER A 9 -5.017 -14.298 5.617 1.00 0.00 O ATOM 0 H SER A 9 -7.033 -16.165 8.304 1.00 0.00 H new ATOM 0 HA SER A 9 -4.605 -14.430 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.443 -16.142 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.830 -15.100 6.191 1.00 0.00 H new ATOM 0 HG SER A 9 -5.388 -14.354 4.712 1.00 0.00 H new ATOM 130 N PHE A 10 -5.631 -12.201 8.388 1.00 0.00 N ATOM 131 CA PHE A 10 -6.274 -10.866 8.555 1.00 0.00 C ATOM 132 C PHE A 10 -5.744 -9.876 7.511 1.00 0.00 C ATOM 133 O PHE A 10 -4.552 -9.727 7.330 1.00 0.00 O ATOM 134 CB PHE A 10 -5.886 -10.418 9.967 1.00 0.00 C ATOM 135 CG PHE A 10 -6.522 -11.333 10.991 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.681 -12.053 10.670 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.953 -11.459 12.267 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.269 -12.894 11.622 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.543 -12.301 13.218 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.701 -13.018 12.895 1.00 0.00 C ATOM 0 H PHE A 10 -4.622 -12.219 8.534 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.355 -10.911 8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.802 -10.432 10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.210 -9.391 10.134 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.120 -11.959 9.688 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.059 -10.906 12.516 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.162 -13.448 11.374 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.105 -12.397 14.200 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.156 -13.667 13.628 1.00 0.00 H new ATOM 150 N SER A 11 -6.627 -9.196 6.824 1.00 0.00 N ATOM 151 CA SER A 11 -6.182 -8.213 5.792 1.00 0.00 C ATOM 152 C SER A 11 -5.764 -6.897 6.457 1.00 0.00 C ATOM 153 O SER A 11 -5.900 -6.724 7.652 1.00 0.00 O ATOM 154 CB SER A 11 -7.405 -7.998 4.898 1.00 0.00 C ATOM 155 OG SER A 11 -8.392 -7.268 5.614 1.00 0.00 O ATOM 0 H SER A 11 -7.638 -9.280 6.934 1.00 0.00 H new ATOM 0 HA SER A 11 -5.321 -8.569 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.119 -7.456 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.808 -8.959 4.578 1.00 0.00 H new ATOM 0 HG SER A 11 -9.175 -7.128 5.042 1.00 0.00 H new ATOM 161 N LEU A 12 -5.247 -5.972 5.693 1.00 0.00 N ATOM 162 CA LEU A 12 -4.810 -4.672 6.282 1.00 0.00 C ATOM 163 C LEU A 12 -5.867 -3.586 6.050 1.00 0.00 C ATOM 164 O LEU A 12 -5.764 -2.489 6.563 1.00 0.00 O ATOM 165 CB LEU A 12 -3.521 -4.316 5.540 1.00 0.00 C ATOM 166 CG LEU A 12 -2.456 -5.379 5.816 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.437 -5.710 7.309 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.777 -6.642 5.016 1.00 0.00 C ATOM 0 H LEU A 12 -5.108 -6.060 4.686 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.664 -4.745 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.713 -4.250 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.164 -3.338 5.861 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.479 -4.999 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.678 -6.467 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.206 -4.810 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.414 -6.089 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.018 -7.400 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.755 -7.022 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.787 -6.406 3.952 1.00 0.00 H new ATOM 180 N GLU A 13 -6.873 -3.876 5.273 1.00 0.00 N ATOM 181 CA GLU A 13 -7.924 -2.853 4.997 1.00 0.00 C ATOM 182 C GLU A 13 -8.750 -2.560 6.253 1.00 0.00 C ATOM 183 O GLU A 13 -8.653 -1.499 6.837 1.00 0.00 O ATOM 184 CB GLU A 13 -8.802 -3.473 3.910 1.00 0.00 C ATOM 185 CG GLU A 13 -9.847 -2.452 3.455 1.00 0.00 C ATOM 186 CD GLU A 13 -10.782 -3.101 2.433 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.630 -4.287 2.188 1.00 0.00 O ATOM 188 OE2 GLU A 13 -11.634 -2.401 1.913 1.00 0.00 O ATOM 0 H GLU A 13 -7.014 -4.777 4.816 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.491 -1.902 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.188 -3.783 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.294 -4.368 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.419 -2.094 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.356 -1.584 3.015 1.00 0.00 H new ATOM 195 N SER A 14 -9.575 -3.483 6.665 1.00 0.00 N ATOM 196 CA SER A 14 -10.422 -3.248 7.873 1.00 0.00 C ATOM 197 C SER A 14 -9.574 -2.791 9.065 1.00 0.00 C ATOM 198 O SER A 14 -9.873 -1.802 9.708 1.00 0.00 O ATOM 199 CB SER A 14 -11.068 -4.599 8.174 1.00 0.00 C ATOM 200 OG SER A 14 -11.531 -5.182 6.965 1.00 0.00 O ATOM 0 H SER A 14 -9.701 -4.391 6.218 1.00 0.00 H new ATOM 0 HA SER A 14 -11.158 -2.463 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.347 -5.259 8.656 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.897 -4.471 8.869 1.00 0.00 H new ATOM 0 HG SER A 14 -11.944 -6.050 7.157 1.00 0.00 H new ATOM 206 N VAL A 15 -8.520 -3.496 9.372 1.00 0.00 N ATOM 207 CA VAL A 15 -7.675 -3.087 10.529 1.00 0.00 C ATOM 208 C VAL A 15 -7.201 -1.644 10.353 1.00 0.00 C ATOM 209 O VAL A 15 -7.326 -0.831 11.246 1.00 0.00 O ATOM 210 CB VAL A 15 -6.503 -4.065 10.537 1.00 0.00 C ATOM 211 CG1 VAL A 15 -7.027 -5.452 10.918 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.855 -4.118 9.152 1.00 0.00 C ATOM 0 H VAL A 15 -8.209 -4.331 8.876 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.219 -3.117 11.473 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.754 -3.738 11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.201 -6.163 10.928 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.482 -5.410 11.908 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.772 -5.772 10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.020 -4.818 9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.591 -4.447 8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.492 -3.126 8.882 1.00 0.00 H new ATOM 222 N LYS A 16 -6.680 -1.304 9.208 1.00 0.00 N ATOM 223 CA LYS A 16 -6.236 0.102 9.004 1.00 0.00 C ATOM 224 C LYS A 16 -7.415 1.033 9.285 1.00 0.00 C ATOM 225 O LYS A 16 -7.327 1.947 10.082 1.00 0.00 O ATOM 226 CB LYS A 16 -5.815 0.186 7.537 1.00 0.00 C ATOM 227 CG LYS A 16 -5.164 1.546 7.271 1.00 0.00 C ATOM 228 CD LYS A 16 -4.661 1.596 5.828 1.00 0.00 C ATOM 229 CE LYS A 16 -5.845 1.814 4.884 1.00 0.00 C ATOM 230 NZ LYS A 16 -5.959 3.294 4.751 1.00 0.00 N ATOM 0 H LYS A 16 -6.544 -1.930 8.414 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.417 0.391 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.116 -0.616 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.682 0.053 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.884 2.346 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.336 1.706 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.936 2.402 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.148 0.667 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.672 1.342 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.759 1.382 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.406 3.527 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.539 3.669 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.011 3.720 4.790 1.00 0.00 H new ATOM 244 N LYS A 17 -8.530 0.787 8.649 1.00 0.00 N ATOM 245 CA LYS A 17 -9.736 1.629 8.888 1.00 0.00 C ATOM 246 C LYS A 17 -10.436 1.179 10.173 1.00 0.00 C ATOM 247 O LYS A 17 -11.554 1.566 10.451 1.00 0.00 O ATOM 248 CB LYS A 17 -10.638 1.385 7.679 1.00 0.00 C ATOM 249 CG LYS A 17 -9.857 1.668 6.395 1.00 0.00 C ATOM 250 CD LYS A 17 -9.608 3.172 6.271 1.00 0.00 C ATOM 251 CE LYS A 17 -9.139 3.495 4.851 1.00 0.00 C ATOM 252 NZ LYS A 17 -9.034 4.981 4.813 1.00 0.00 N ATOM 0 H LYS A 17 -8.656 0.035 7.971 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.489 2.684 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.995 0.355 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.517 2.028 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.908 1.131 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.415 1.308 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.521 3.723 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.857 3.488 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.180 3.025 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.848 3.129 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.717 5.283 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.964 5.400 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.348 5.299 5.527 1.00 0.00 H new ATOM 266 N LEU A 18 -9.783 0.367 10.963 1.00 0.00 N ATOM 267 CA LEU A 18 -10.401 -0.108 12.233 1.00 0.00 C ATOM 268 C LEU A 18 -10.693 1.080 13.154 1.00 0.00 C ATOM 269 O LEU A 18 -11.791 1.239 13.648 1.00 0.00 O ATOM 270 CB LEU A 18 -9.342 -1.029 12.845 1.00 0.00 C ATOM 271 CG LEU A 18 -9.779 -1.480 14.238 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.033 -2.348 14.123 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.652 -2.295 14.882 1.00 0.00 C ATOM 0 H LEU A 18 -8.844 0.012 10.781 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.351 -0.620 12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.190 -1.898 12.204 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.387 -0.507 12.906 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.998 -0.607 14.853 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.345 -2.670 15.117 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.834 -1.771 13.660 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.815 -3.223 13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.960 -2.619 15.876 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.437 -3.168 14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.757 -1.678 14.962 1.00 0.00 H new ATOM 285 N LYS A 19 -9.720 1.921 13.384 1.00 0.00 N ATOM 286 CA LYS A 19 -9.952 3.101 14.266 1.00 0.00 C ATOM 287 C LYS A 19 -11.012 4.015 13.646 1.00 0.00 C ATOM 288 O LYS A 19 -11.795 4.635 14.337 1.00 0.00 O ATOM 289 CB LYS A 19 -8.601 3.816 14.341 1.00 0.00 C ATOM 290 CG LYS A 19 -7.586 2.915 15.047 1.00 0.00 C ATOM 291 CD LYS A 19 -6.284 3.688 15.271 1.00 0.00 C ATOM 292 CE LYS A 19 -5.274 2.786 15.984 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.846 1.801 14.950 1.00 0.00 N ATOM 0 H LYS A 19 -8.778 1.842 13.001 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.313 2.816 15.254 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.251 4.061 13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.705 4.757 14.881 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.988 2.575 16.001 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.394 2.026 14.447 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.878 4.023 14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.476 4.580 15.867 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.426 3.360 16.358 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.725 2.288 16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.814 1.682 14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.308 0.887 15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.118 2.147 14.008 1.00 0.00 H new ATOM 307 N ASP A 20 -11.044 4.096 12.344 1.00 0.00 N ATOM 308 CA ASP A 20 -12.054 4.961 11.670 1.00 0.00 C ATOM 309 C ASP A 20 -12.751 4.169 10.561 1.00 0.00 C ATOM 310 O ASP A 20 -12.218 3.994 9.483 1.00 0.00 O ATOM 311 CB ASP A 20 -11.254 6.122 11.080 1.00 0.00 C ATOM 312 CG ASP A 20 -12.214 7.144 10.466 1.00 0.00 C ATOM 313 OD1 ASP A 20 -13.413 6.961 10.607 1.00 0.00 O ATOM 314 OD2 ASP A 20 -11.734 8.092 9.866 1.00 0.00 O ATOM 0 H ASP A 20 -10.412 3.599 11.716 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.828 5.312 12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.651 6.594 11.856 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.564 5.753 10.321 1.00 0.00 H new ATOM 319 N LEU A 21 -13.933 3.679 10.818 1.00 0.00 N ATOM 320 CA LEU A 21 -14.653 2.888 9.780 1.00 0.00 C ATOM 321 C LEU A 21 -15.620 3.776 8.992 1.00 0.00 C ATOM 322 O LEU A 21 -16.457 4.456 9.552 1.00 0.00 O ATOM 323 CB LEU A 21 -15.421 1.821 10.559 1.00 0.00 C ATOM 324 CG LEU A 21 -16.037 0.820 9.579 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.342 -0.535 9.728 1.00 0.00 C ATOM 326 CD2 LEU A 21 -17.528 0.664 9.879 1.00 0.00 C ATOM 0 H LEU A 21 -14.431 3.792 11.701 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.968 2.454 9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.752 1.307 11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.202 2.286 11.160 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.908 1.184 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.781 -1.248 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.279 -0.424 9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.470 -0.900 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.967 -0.049 9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.658 0.301 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -18.024 1.629 9.772 1.00 0.00 H new ATOM 338 N GLN A 22 -15.515 3.762 7.692 1.00 0.00 N ATOM 339 CA GLN A 22 -16.429 4.588 6.852 1.00 0.00 C ATOM 340 C GLN A 22 -16.973 3.735 5.704 1.00 0.00 C ATOM 341 O GLN A 22 -16.328 2.812 5.252 1.00 0.00 O ATOM 342 CB GLN A 22 -15.557 5.724 6.313 1.00 0.00 C ATOM 343 CG GLN A 22 -15.092 6.605 7.475 1.00 0.00 C ATOM 344 CD GLN A 22 -14.253 7.764 6.931 1.00 0.00 C ATOM 345 OE1 GLN A 22 -13.803 7.726 5.802 1.00 0.00 O ATOM 346 NE2 GLN A 22 -14.023 8.800 7.690 1.00 0.00 N ATOM 0 H GLN A 22 -14.832 3.211 7.172 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.284 4.970 7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.695 5.316 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.120 6.319 5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.953 6.990 8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.505 6.016 8.180 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.400 8.832 8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.466 9.578 7.336 1.00 0.00 H new ATOM 355 N GLU A 23 -18.155 4.025 5.233 1.00 0.00 N ATOM 356 CA GLU A 23 -18.725 3.210 4.120 1.00 0.00 C ATOM 357 C GLU A 23 -18.459 1.722 4.379 1.00 0.00 C ATOM 358 O GLU A 23 -17.424 1.205 4.011 1.00 0.00 O ATOM 359 CB GLU A 23 -17.984 3.677 2.866 1.00 0.00 C ATOM 360 CG GLU A 23 -18.976 4.329 1.900 1.00 0.00 C ATOM 361 CD GLU A 23 -18.236 4.792 0.643 1.00 0.00 C ATOM 362 OE1 GLU A 23 -17.941 3.950 -0.190 1.00 0.00 O ATOM 363 OE2 GLU A 23 -17.977 5.979 0.535 1.00 0.00 O ATOM 0 H GLU A 23 -18.748 4.785 5.567 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.804 3.333 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.203 4.387 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.493 2.831 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.759 3.620 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.464 5.177 2.381 1.00 0.00 H new ATOM 370 N PRO A 24 -19.405 1.085 5.016 1.00 0.00 N ATOM 371 CA PRO A 24 -19.276 -0.355 5.343 1.00 0.00 C ATOM 372 C PRO A 24 -19.083 -1.189 4.073 1.00 0.00 C ATOM 373 O PRO A 24 -19.179 -0.691 2.969 1.00 0.00 O ATOM 374 CB PRO A 24 -20.616 -0.668 6.013 1.00 0.00 C ATOM 375 CG PRO A 24 -21.466 0.618 6.046 1.00 0.00 C ATOM 376 CD PRO A 24 -20.651 1.766 5.435 1.00 0.00 C ATOM 0 HA PRO A 24 -18.416 -0.584 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -21.138 -1.452 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.455 -1.040 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -22.391 0.473 5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.747 0.859 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -21.166 2.225 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.457 2.557 6.159 1.00 0.00 H new ATOM 384 N GLN A 25 -18.811 -2.457 4.225 1.00 0.00 N ATOM 385 CA GLN A 25 -18.611 -3.327 3.031 1.00 0.00 C ATOM 386 C GLN A 25 -17.460 -2.793 2.174 1.00 0.00 C ATOM 387 O GLN A 25 -17.603 -2.581 0.987 1.00 0.00 O ATOM 388 CB GLN A 25 -19.933 -3.258 2.268 1.00 0.00 C ATOM 389 CG GLN A 25 -21.078 -3.656 3.203 1.00 0.00 C ATOM 390 CD GLN A 25 -22.410 -3.548 2.459 1.00 0.00 C ATOM 391 OE1 GLN A 25 -22.492 -2.918 1.423 1.00 0.00 O ATOM 392 NE2 GLN A 25 -23.466 -4.140 2.948 1.00 0.00 N ATOM 0 H GLN A 25 -18.719 -2.928 5.125 1.00 0.00 H new ATOM 0 HA GLN A 25 -18.352 -4.351 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -20.094 -2.250 1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -19.904 -3.924 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.931 -4.675 3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.086 -3.009 4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -23.397 -4.669 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -24.359 -4.074 2.460 1.00 0.00 H new ATOM 401 N GLU A 26 -16.317 -2.579 2.769 1.00 0.00 N ATOM 402 CA GLU A 26 -15.154 -2.062 1.991 1.00 0.00 C ATOM 403 C GLU A 26 -15.560 -0.826 1.181 1.00 0.00 C ATOM 404 O GLU A 26 -16.175 -0.945 0.140 1.00 0.00 O ATOM 405 CB GLU A 26 -14.763 -3.210 1.059 1.00 0.00 C ATOM 406 CG GLU A 26 -14.059 -4.302 1.865 1.00 0.00 C ATOM 407 CD GLU A 26 -13.703 -5.469 0.941 1.00 0.00 C ATOM 408 OE1 GLU A 26 -14.202 -5.491 -0.171 1.00 0.00 O ATOM 409 OE2 GLU A 26 -12.936 -6.320 1.362 1.00 0.00 O ATOM 0 H GLU A 26 -16.138 -2.740 3.760 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.329 -1.758 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.650 -3.616 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.106 -2.845 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.157 -3.903 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.705 -4.647 2.672 1.00 0.00 H new ATOM 416 N PRO A 27 -15.201 0.326 1.686 1.00 0.00 N ATOM 417 CA PRO A 27 -15.528 1.599 1.002 1.00 0.00 C ATOM 418 C PRO A 27 -14.850 1.658 -0.369 1.00 0.00 C ATOM 419 O PRO A 27 -15.246 2.410 -1.237 1.00 0.00 O ATOM 420 CB PRO A 27 -14.941 2.649 1.949 1.00 0.00 C ATOM 421 CG PRO A 27 -14.291 1.929 3.147 1.00 0.00 C ATOM 422 CD PRO A 27 -14.452 0.415 2.962 1.00 0.00 C ATOM 0 HA PRO A 27 -16.593 1.736 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.202 3.257 1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -15.723 3.325 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.235 2.190 3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.760 2.247 4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.489 -0.091 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.001 -0.039 3.787 1.00 0.00 H new ATOM 430 N ARG A 28 -13.828 0.871 -0.567 1.00 0.00 N ATOM 431 CA ARG A 28 -13.121 0.884 -1.878 1.00 0.00 C ATOM 432 C ARG A 28 -12.662 2.305 -2.213 1.00 0.00 C ATOM 433 O ARG A 28 -12.964 2.836 -3.263 1.00 0.00 O ATOM 434 CB ARG A 28 -14.155 0.396 -2.893 1.00 0.00 C ATOM 435 CG ARG A 28 -14.499 -1.066 -2.604 1.00 0.00 C ATOM 436 CD ARG A 28 -15.448 -1.592 -3.684 1.00 0.00 C ATOM 437 NE ARG A 28 -15.925 -2.904 -3.166 1.00 0.00 N ATOM 438 CZ ARG A 28 -17.166 -3.043 -2.784 1.00 0.00 C ATOM 439 NH1 ARG A 28 -17.789 -2.048 -2.215 1.00 0.00 N ATOM 440 NH2 ARG A 28 -17.782 -4.178 -2.971 1.00 0.00 N ATOM 0 H ARG A 28 -13.452 0.220 0.122 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.230 0.256 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.054 1.010 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.763 0.496 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.590 -1.667 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.964 -1.154 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.279 -0.906 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.935 -1.707 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.282 -3.694 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.307 -1.161 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.758 -2.157 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.294 -4.956 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.751 -4.287 -2.673 1.00 0.00 H new ATOM 454 N VAL A 29 -11.935 2.924 -1.323 1.00 0.00 N ATOM 455 CA VAL A 29 -11.454 4.311 -1.584 1.00 0.00 C ATOM 456 C VAL A 29 -9.980 4.440 -1.190 1.00 0.00 C ATOM 457 O VAL A 29 -9.532 3.851 -0.225 1.00 0.00 O ATOM 458 CB VAL A 29 -12.327 5.204 -0.702 1.00 0.00 C ATOM 459 CG1 VAL A 29 -12.044 4.899 0.772 1.00 0.00 C ATOM 460 CG2 VAL A 29 -12.009 6.673 -0.989 1.00 0.00 C ATOM 0 H VAL A 29 -11.653 2.529 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.526 4.584 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.378 5.011 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.666 5.535 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.271 3.853 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.993 5.091 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.631 7.310 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.958 6.867 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.211 6.891 -2.038 1.00 0.00 H new ATOM 470 N GLY A 30 -9.222 5.202 -1.929 1.00 0.00 N ATOM 471 CA GLY A 30 -7.779 5.365 -1.597 1.00 0.00 C ATOM 472 C GLY A 30 -6.950 4.402 -2.452 1.00 0.00 C ATOM 473 O GLY A 30 -7.089 3.199 -2.362 1.00 0.00 O ATOM 0 H GLY A 30 -9.540 5.719 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.466 6.393 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.613 5.165 -0.539 1.00 0.00 H new ATOM 477 N LYS A 31 -6.091 4.924 -3.285 1.00 0.00 N ATOM 478 CA LYS A 31 -5.258 4.039 -4.148 1.00 0.00 C ATOM 479 C LYS A 31 -4.398 3.109 -3.286 1.00 0.00 C ATOM 480 O LYS A 31 -4.256 1.937 -3.573 1.00 0.00 O ATOM 481 CB LYS A 31 -4.374 4.990 -4.955 1.00 0.00 C ATOM 482 CG LYS A 31 -3.536 4.184 -5.950 1.00 0.00 C ATOM 483 CD LYS A 31 -2.593 5.124 -6.705 1.00 0.00 C ATOM 484 CE LYS A 31 -1.862 4.343 -7.800 1.00 0.00 C ATOM 485 NZ LYS A 31 -2.840 4.253 -8.922 1.00 0.00 N ATOM 0 H LYS A 31 -5.930 5.924 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.866 3.402 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.991 5.715 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.723 5.554 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.962 3.422 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.187 3.664 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.157 5.946 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.873 5.565 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.951 4.855 -8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.568 3.353 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.887 3.272 -9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.780 4.548 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.537 4.876 -9.698 1.00 0.00 H new ATOM 499 N LEU A 32 -3.822 3.622 -2.233 1.00 0.00 N ATOM 500 CA LEU A 32 -2.971 2.764 -1.359 1.00 0.00 C ATOM 501 C LEU A 32 -3.541 2.718 0.061 1.00 0.00 C ATOM 502 O LEU A 32 -4.053 3.697 0.567 1.00 0.00 O ATOM 503 CB LEU A 32 -1.598 3.436 -1.361 1.00 0.00 C ATOM 504 CG LEU A 32 -1.102 3.584 -2.801 1.00 0.00 C ATOM 505 CD1 LEU A 32 0.322 4.143 -2.795 1.00 0.00 C ATOM 506 CD2 LEU A 32 -1.109 2.215 -3.485 1.00 0.00 C ATOM 0 H LEU A 32 -3.903 4.596 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.924 1.735 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.660 4.414 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.891 2.843 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.758 4.265 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.676 4.249 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.328 5.118 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.978 3.462 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.756 2.319 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.453 1.534 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.123 1.816 -3.489 1.00 0.00 H new ATOM 518 N ARG A 33 -3.453 1.589 0.710 1.00 0.00 N ATOM 519 CA ARG A 33 -3.987 1.482 2.098 1.00 0.00 C ATOM 520 C ARG A 33 -2.896 1.846 3.107 1.00 0.00 C ATOM 521 O ARG A 33 -2.601 1.097 4.018 1.00 0.00 O ATOM 522 CB ARG A 33 -4.402 0.019 2.255 1.00 0.00 C ATOM 523 CG ARG A 33 -5.558 -0.288 1.302 1.00 0.00 C ATOM 524 CD ARG A 33 -6.059 -1.713 1.548 1.00 0.00 C ATOM 525 NE ARG A 33 -7.063 -1.956 0.474 1.00 0.00 N ATOM 526 CZ ARG A 33 -6.939 -2.989 -0.315 1.00 0.00 C ATOM 527 NH1 ARG A 33 -7.763 -3.995 -0.207 1.00 0.00 N ATOM 528 NH2 ARG A 33 -5.991 -3.015 -1.211 1.00 0.00 N ATOM 0 H ARG A 33 -3.034 0.736 0.339 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.823 2.159 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.557 -0.635 2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.703 -0.176 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.368 0.425 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.229 -0.180 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.243 -2.433 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.507 -1.809 2.537 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.848 -1.315 0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.504 -3.974 0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.666 -4.802 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.347 -2.229 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.894 -3.822 -1.827 1.00 0.00 H new ATOM 542 N ASN A 34 -2.296 2.994 2.952 1.00 0.00 N ATOM 543 CA ASN A 34 -1.223 3.413 3.898 1.00 0.00 C ATOM 544 C ASN A 34 -1.728 4.544 4.799 1.00 0.00 C ATOM 545 O ASN A 34 -2.072 5.613 4.335 1.00 0.00 O ATOM 546 CB ASN A 34 -0.080 3.906 3.009 1.00 0.00 C ATOM 547 CG ASN A 34 1.130 4.258 3.878 1.00 0.00 C ATOM 548 OD1 ASN A 34 1.797 3.383 4.393 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.441 5.511 4.063 1.00 0.00 N ATOM 0 H ASN A 34 -2.503 3.662 2.209 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.908 2.600 4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.190 3.136 2.286 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.399 4.780 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.245 5.757 4.641 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.880 6.245 3.630 1.00 0.00 H new ATOM 556 N PHE A 35 -1.779 4.316 6.083 1.00 0.00 N ATOM 557 CA PHE A 35 -2.265 5.377 7.011 1.00 0.00 C ATOM 558 C PHE A 35 -1.838 5.054 8.445 1.00 0.00 C ATOM 559 O PHE A 35 -2.483 4.289 9.134 1.00 0.00 O ATOM 560 CB PHE A 35 -3.788 5.343 6.882 1.00 0.00 C ATOM 561 CG PHE A 35 -4.393 6.445 7.719 1.00 0.00 C ATOM 562 CD1 PHE A 35 -4.526 7.734 7.188 1.00 0.00 C ATOM 563 CD2 PHE A 35 -4.822 6.177 9.024 1.00 0.00 C ATOM 564 CE1 PHE A 35 -5.089 8.754 7.964 1.00 0.00 C ATOM 565 CE2 PHE A 35 -5.384 7.198 9.800 1.00 0.00 C ATOM 566 CZ PHE A 35 -5.517 8.487 9.269 1.00 0.00 C ATOM 0 H PHE A 35 -1.505 3.441 6.530 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.858 6.360 6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.077 5.465 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.169 4.375 7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.195 7.941 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.720 5.183 9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.193 9.748 7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.715 6.992 10.807 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.950 9.275 9.867 1.00 0.00 H new ATOM 576 N ALA A 36 -0.758 5.632 8.898 1.00 0.00 N ATOM 577 CA ALA A 36 -0.287 5.355 10.287 1.00 0.00 C ATOM 578 C ALA A 36 -1.480 5.277 11.246 1.00 0.00 C ATOM 579 O ALA A 36 -1.986 6.288 11.691 1.00 0.00 O ATOM 580 CB ALA A 36 0.605 6.544 10.644 1.00 0.00 C ATOM 0 H ALA A 36 -0.181 6.284 8.367 1.00 0.00 H new ATOM 0 HA ALA A 36 0.244 4.406 10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.993 6.417 11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.436 6.600 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.023 7.464 10.592 1.00 0.00 H new ATOM 586 N PRO A 37 -1.895 4.067 11.529 1.00 0.00 N ATOM 587 CA PRO A 37 -3.043 3.842 12.438 1.00 0.00 C ATOM 588 C PRO A 37 -2.701 4.297 13.859 1.00 0.00 C ATOM 589 O PRO A 37 -3.559 4.387 14.715 1.00 0.00 O ATOM 590 CB PRO A 37 -3.222 2.323 12.382 1.00 0.00 C ATOM 591 CG PRO A 37 -2.155 1.733 11.439 1.00 0.00 C ATOM 592 CD PRO A 37 -1.241 2.867 10.956 1.00 0.00 C ATOM 0 HA PRO A 37 -3.939 4.394 12.155 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.123 1.894 13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.221 2.073 12.025 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.571 0.973 11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.631 1.244 10.589 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.220 2.748 11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.190 2.912 9.868 1.00 0.00 H new ATOM 600 N ILE A 38 -1.453 4.579 14.118 1.00 0.00 N ATOM 601 CA ILE A 38 -1.057 5.020 15.487 1.00 0.00 C ATOM 602 C ILE A 38 -1.471 3.966 16.519 1.00 0.00 C ATOM 603 O ILE A 38 -2.556 4.027 17.065 1.00 0.00 O ATOM 604 CB ILE A 38 -1.818 6.327 15.719 1.00 0.00 C ATOM 605 CG1 ILE A 38 -1.368 7.368 14.692 1.00 0.00 C ATOM 606 CG2 ILE A 38 -1.527 6.844 17.129 1.00 0.00 C ATOM 607 CD1 ILE A 38 -2.595 8.053 14.087 1.00 0.00 C ATOM 0 H ILE A 38 -0.691 4.523 13.442 1.00 0.00 H new ATOM 0 HA ILE A 38 0.020 5.155 15.583 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.888 6.148 15.611 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.723 8.107 15.167 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.781 6.890 13.907 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.069 7.775 17.294 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.847 6.103 17.861 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.457 7.023 17.237 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.274 8.795 13.355 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.223 7.309 13.598 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.163 8.545 14.876 1.00 0.00 H new ATOM 619 N PRO A 39 -0.589 3.030 16.750 1.00 0.00 N ATOM 620 CA PRO A 39 -0.859 1.945 17.723 1.00 0.00 C ATOM 621 C PRO A 39 -1.087 2.523 19.123 1.00 0.00 C ATOM 622 O PRO A 39 -0.778 3.667 19.391 1.00 0.00 O ATOM 623 CB PRO A 39 0.427 1.116 17.669 1.00 0.00 C ATOM 624 CG PRO A 39 1.392 1.766 16.657 1.00 0.00 C ATOM 625 CD PRO A 39 0.718 3.007 16.056 1.00 0.00 C ATOM 0 HA PRO A 39 -1.753 1.364 17.496 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.889 1.070 18.655 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.204 0.091 17.373 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.324 2.044 17.149 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.647 1.057 15.870 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.294 3.913 16.245 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.602 2.923 14.975 1.00 0.00 H new ATOM 633 N GLY A 40 -1.626 1.739 20.016 1.00 0.00 N ATOM 634 CA GLY A 40 -1.877 2.243 21.395 1.00 0.00 C ATOM 635 C GLY A 40 -3.373 2.510 21.569 1.00 0.00 C ATOM 636 O GLY A 40 -3.803 3.079 22.553 1.00 0.00 O ATOM 0 H GLY A 40 -1.903 0.772 19.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.538 1.512 22.129 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.310 3.157 21.570 1.00 0.00 H new ATOM 640 N GLU A 41 -4.171 2.101 20.619 1.00 0.00 N ATOM 641 CA GLU A 41 -5.640 2.328 20.726 1.00 0.00 C ATOM 642 C GLU A 41 -6.387 0.995 20.615 1.00 0.00 C ATOM 643 O GLU A 41 -6.863 0.638 19.555 1.00 0.00 O ATOM 644 CB GLU A 41 -5.984 3.238 19.545 1.00 0.00 C ATOM 645 CG GLU A 41 -6.429 4.606 20.067 1.00 0.00 C ATOM 646 CD GLU A 41 -5.357 5.649 19.745 1.00 0.00 C ATOM 647 OE1 GLU A 41 -4.335 5.643 20.411 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.576 6.435 18.838 1.00 0.00 O ATOM 0 H GLU A 41 -3.868 1.619 19.773 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.924 2.773 21.679 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.117 3.350 18.894 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.777 2.790 18.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.377 4.890 19.610 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.595 4.560 21.143 1.00 0.00 H new ATOM 655 N PRO A 42 -6.461 0.299 21.720 1.00 0.00 N ATOM 656 CA PRO A 42 -7.151 -1.011 21.758 1.00 0.00 C ATOM 657 C PRO A 42 -8.630 -0.848 21.400 1.00 0.00 C ATOM 658 O PRO A 42 -9.286 0.074 21.839 1.00 0.00 O ATOM 659 CB PRO A 42 -6.983 -1.434 23.220 1.00 0.00 C ATOM 660 CG PRO A 42 -6.198 -0.339 23.968 1.00 0.00 C ATOM 661 CD PRO A 42 -5.861 0.788 22.983 1.00 0.00 C ATOM 0 HA PRO A 42 -6.753 -1.738 21.050 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.958 -1.583 23.684 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.453 -2.385 23.279 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.789 0.049 24.798 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.284 -0.754 24.394 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.290 1.741 23.294 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.785 0.938 22.890 1.00 0.00 H new ATOM 669 N VAL A 43 -9.161 -1.737 20.605 1.00 0.00 N ATOM 670 CA VAL A 43 -10.598 -1.627 20.224 1.00 0.00 C ATOM 671 C VAL A 43 -11.375 -2.844 20.729 1.00 0.00 C ATOM 672 O VAL A 43 -12.120 -3.468 20.000 1.00 0.00 O ATOM 673 CB VAL A 43 -10.605 -1.570 18.696 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.692 -0.434 18.226 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.095 -2.898 18.132 1.00 0.00 C ATOM 0 H VAL A 43 -8.664 -2.532 20.204 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.074 -0.749 20.660 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.621 -1.392 18.344 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.695 -0.391 17.137 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.053 0.513 18.627 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.676 -0.614 18.579 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.100 -2.857 17.043 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.079 -3.076 18.483 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.742 -3.708 18.467 1.00 0.00 H new ATOM 685 N VAL A 44 -11.213 -3.177 21.980 1.00 0.00 N ATOM 686 CA VAL A 44 -11.946 -4.347 22.547 1.00 0.00 C ATOM 687 C VAL A 44 -12.179 -4.147 24.051 1.00 0.00 C ATOM 688 O VAL A 44 -11.856 -5.005 24.847 1.00 0.00 O ATOM 689 CB VAL A 44 -11.038 -5.558 22.298 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.431 -5.474 20.896 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.911 -5.584 23.331 1.00 0.00 C ATOM 0 H VAL A 44 -10.604 -2.689 22.636 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.925 -4.478 22.087 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.633 -6.467 22.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.787 -6.337 20.726 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.229 -5.465 20.154 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.843 -4.560 20.808 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.270 -6.446 23.148 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.322 -4.670 23.250 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.337 -5.654 24.332 1.00 0.00 H new ATOM 701 N PRO A 45 -12.737 -3.013 24.393 1.00 0.00 N ATOM 702 CA PRO A 45 -13.016 -2.694 25.815 1.00 0.00 C ATOM 703 C PRO A 45 -13.915 -3.761 26.445 1.00 0.00 C ATOM 704 O PRO A 45 -14.031 -3.855 27.650 1.00 0.00 O ATOM 705 CB PRO A 45 -13.740 -1.348 25.720 1.00 0.00 C ATOM 706 CG PRO A 45 -13.844 -0.944 24.235 1.00 0.00 C ATOM 707 CD PRO A 45 -13.120 -1.998 23.385 1.00 0.00 C ATOM 0 HA PRO A 45 -12.123 -2.660 26.439 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.734 -1.422 26.162 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.198 -0.587 26.281 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.890 -0.871 23.936 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.398 0.038 24.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.770 -2.415 22.615 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.250 -1.582 22.877 1.00 0.00 H new ATOM 715 N ILE A 46 -14.549 -4.567 25.639 1.00 0.00 N ATOM 716 CA ILE A 46 -15.439 -5.631 26.189 1.00 0.00 C ATOM 717 C ILE A 46 -16.062 -6.438 25.046 1.00 0.00 C ATOM 718 O ILE A 46 -16.361 -7.607 25.191 1.00 0.00 O ATOM 719 CB ILE A 46 -16.522 -4.880 26.966 1.00 0.00 C ATOM 720 CG1 ILE A 46 -17.305 -5.867 27.835 1.00 0.00 C ATOM 721 CG2 ILE A 46 -17.474 -4.197 25.983 1.00 0.00 C ATOM 722 CD1 ILE A 46 -18.117 -5.094 28.877 1.00 0.00 C ATOM 0 H ILE A 46 -14.490 -4.536 24.621 1.00 0.00 H new ATOM 0 HA ILE A 46 -14.899 -6.336 26.821 1.00 0.00 H new ATOM 0 HB ILE A 46 -16.057 -4.127 27.602 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.969 -6.468 27.214 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -16.620 -6.556 28.329 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.246 -3.662 26.536 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -16.916 -3.493 25.366 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -17.940 -4.949 25.346 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -18.675 -5.796 29.497 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -17.443 -4.512 29.505 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.812 -4.423 28.372 1.00 0.00 H new ATOM 734 N LEU A 47 -16.258 -5.825 23.912 1.00 0.00 N ATOM 735 CA LEU A 47 -16.858 -6.556 22.760 1.00 0.00 C ATOM 736 C LEU A 47 -16.520 -5.841 21.448 1.00 0.00 C ATOM 737 O LEU A 47 -17.374 -5.259 20.811 1.00 0.00 O ATOM 738 CB LEU A 47 -18.365 -6.527 23.014 1.00 0.00 C ATOM 739 CG LEU A 47 -19.081 -7.337 21.930 1.00 0.00 C ATOM 740 CD1 LEU A 47 -18.858 -8.830 22.180 1.00 0.00 C ATOM 741 CD2 LEU A 47 -20.580 -7.030 21.968 1.00 0.00 C ATOM 0 H LEU A 47 -16.028 -4.848 23.733 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.480 -7.575 22.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -18.587 -6.940 23.998 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -18.725 -5.498 23.012 1.00 0.00 H new ATOM 0 HG LEU A 47 -18.682 -7.068 20.952 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.367 -9.408 21.409 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.790 -9.048 22.151 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.257 -9.099 23.158 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -21.089 -7.607 21.196 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -20.982 -7.298 22.945 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -20.738 -5.966 21.790 1.00 0.00 H new ATOM 753 N CYS A 48 -15.280 -5.883 21.042 1.00 0.00 N ATOM 754 CA CYS A 48 -14.881 -5.209 19.771 1.00 0.00 C ATOM 755 C CYS A 48 -15.508 -3.813 19.687 1.00 0.00 C ATOM 756 O CYS A 48 -16.676 -3.658 19.394 1.00 0.00 O ATOM 757 CB CYS A 48 -15.416 -6.113 18.662 1.00 0.00 C ATOM 758 SG CYS A 48 -14.466 -7.654 18.639 1.00 0.00 S ATOM 0 H CYS A 48 -14.523 -6.356 21.536 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.802 -5.070 19.697 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.472 -6.325 18.828 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.339 -5.610 17.698 1.00 0.00 H new ATOM 763 N SER A 49 -14.734 -2.795 19.945 1.00 0.00 N ATOM 764 CA SER A 49 -15.276 -1.405 19.890 1.00 0.00 C ATOM 765 C SER A 49 -15.991 -1.153 18.560 1.00 0.00 C ATOM 766 O SER A 49 -17.112 -0.691 18.529 1.00 0.00 O ATOM 767 CB SER A 49 -14.051 -0.500 20.018 1.00 0.00 C ATOM 768 OG SER A 49 -14.473 0.843 20.207 1.00 0.00 O ATOM 0 H SER A 49 -13.747 -2.865 20.192 1.00 0.00 H new ATOM 0 HA SER A 49 -16.009 -1.222 20.676 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.435 -0.821 20.858 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.434 -0.576 19.123 1.00 0.00 H new ATOM 0 HG SER A 49 -13.688 1.424 20.291 1.00 0.00 H new ATOM 774 N ASN A 50 -15.346 -1.442 17.467 1.00 0.00 N ATOM 775 CA ASN A 50 -15.982 -1.210 16.135 1.00 0.00 C ATOM 776 C ASN A 50 -16.953 -2.347 15.793 1.00 0.00 C ATOM 777 O ASN A 50 -16.537 -3.465 15.560 1.00 0.00 O ATOM 778 CB ASN A 50 -14.815 -1.191 15.148 1.00 0.00 C ATOM 779 CG ASN A 50 -14.162 0.191 15.160 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.671 0.635 16.179 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.137 0.896 14.063 1.00 0.00 N ATOM 0 H ASN A 50 -14.403 -1.830 17.435 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.562 -0.288 16.111 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.084 -1.953 15.418 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.169 -1.429 14.145 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.705 1.820 14.060 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.549 0.523 13.208 1.00 0.00 H new ATOM 788 N PRO A 51 -18.223 -2.025 15.767 1.00 0.00 N ATOM 789 CA PRO A 51 -19.261 -3.032 15.446 1.00 0.00 C ATOM 790 C PRO A 51 -19.086 -3.545 14.014 1.00 0.00 C ATOM 791 O PRO A 51 -19.671 -4.536 13.623 1.00 0.00 O ATOM 792 CB PRO A 51 -20.561 -2.233 15.582 1.00 0.00 C ATOM 793 CG PRO A 51 -20.212 -0.785 15.978 1.00 0.00 C ATOM 794 CD PRO A 51 -18.686 -0.646 16.055 1.00 0.00 C ATOM 0 HA PRO A 51 -19.227 -3.913 16.087 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.112 -2.245 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.206 -2.686 16.335 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.618 -0.086 15.247 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.662 -0.538 16.939 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.306 0.070 15.326 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.359 -0.305 17.037 1.00 0.00 H new ATOM 802 N ASN A 52 -18.288 -2.876 13.227 1.00 0.00 N ATOM 803 CA ASN A 52 -18.083 -3.325 11.819 1.00 0.00 C ATOM 804 C ASN A 52 -16.596 -3.554 11.540 1.00 0.00 C ATOM 805 O ASN A 52 -16.137 -3.410 10.424 1.00 0.00 O ATOM 806 CB ASN A 52 -18.620 -2.181 10.959 1.00 0.00 C ATOM 807 CG ASN A 52 -20.136 -2.082 11.132 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.771 -3.017 11.576 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.747 -0.978 10.798 1.00 0.00 N ATOM 0 H ASN A 52 -17.770 -2.040 13.497 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.589 -4.268 11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.148 -1.242 11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.373 -2.352 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.758 -0.901 10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.214 -0.193 10.425 1.00 0.00 H new ATOM 816 N PHE A 53 -15.842 -3.923 12.538 1.00 0.00 N ATOM 817 CA PHE A 53 -14.389 -4.175 12.313 1.00 0.00 C ATOM 818 C PHE A 53 -14.209 -5.567 11.711 1.00 0.00 C ATOM 819 O PHE A 53 -15.171 -6.291 11.548 1.00 0.00 O ATOM 820 CB PHE A 53 -13.741 -4.091 13.702 1.00 0.00 C ATOM 821 CG PHE A 53 -13.846 -5.425 14.411 1.00 0.00 C ATOM 822 CD1 PHE A 53 -15.092 -6.050 14.549 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.696 -6.035 14.931 1.00 0.00 C ATOM 824 CE1 PHE A 53 -15.188 -7.281 15.206 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.794 -7.270 15.588 1.00 0.00 C ATOM 826 CZ PHE A 53 -14.040 -7.891 15.725 1.00 0.00 C ATOM 0 H PHE A 53 -16.166 -4.061 13.495 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.938 -3.460 11.625 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.694 -3.804 13.606 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.231 -3.317 14.293 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.979 -5.581 14.148 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.735 -5.554 14.826 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.149 -7.762 15.313 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.908 -7.741 15.988 1.00 0.00 H new ATOM 0 HZ PHE A 53 -14.116 -8.842 16.232 1.00 0.00 H new ATOM 836 N PRO A 54 -12.987 -5.910 11.411 1.00 0.00 N ATOM 837 CA PRO A 54 -12.703 -7.242 10.844 1.00 0.00 C ATOM 838 C PRO A 54 -13.195 -8.311 11.819 1.00 0.00 C ATOM 839 O PRO A 54 -12.424 -8.927 12.527 1.00 0.00 O ATOM 840 CB PRO A 54 -11.177 -7.239 10.717 1.00 0.00 C ATOM 841 CG PRO A 54 -10.646 -5.878 11.216 1.00 0.00 C ATOM 842 CD PRO A 54 -11.836 -5.003 11.626 1.00 0.00 C ATOM 0 HA PRO A 54 -13.192 -7.450 9.892 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.747 -8.051 11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.883 -7.403 9.680 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.975 -6.022 12.062 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.069 -5.387 10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.763 -4.678 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.908 -4.103 11.015 1.00 0.00 H new ATOM 850 N GLU A 55 -14.485 -8.506 11.879 1.00 0.00 N ATOM 851 CA GLU A 55 -15.051 -9.503 12.828 1.00 0.00 C ATOM 852 C GLU A 55 -14.160 -10.742 12.884 1.00 0.00 C ATOM 853 O GLU A 55 -14.088 -11.417 13.891 1.00 0.00 O ATOM 854 CB GLU A 55 -16.433 -9.837 12.271 1.00 0.00 C ATOM 855 CG GLU A 55 -17.143 -10.804 13.220 1.00 0.00 C ATOM 856 CD GLU A 55 -18.486 -11.217 12.617 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.762 -10.808 11.501 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.216 -11.934 13.279 1.00 0.00 O ATOM 0 H GLU A 55 -15.173 -8.014 11.308 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.113 -9.123 13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.021 -8.926 12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.340 -10.284 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.523 -11.684 13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.298 -10.331 14.190 1.00 0.00 H new ATOM 865 N GLU A 56 -13.454 -11.034 11.827 1.00 0.00 N ATOM 866 CA GLU A 56 -12.548 -12.213 11.859 1.00 0.00 C ATOM 867 C GLU A 56 -11.622 -12.085 13.074 1.00 0.00 C ATOM 868 O GLU A 56 -11.016 -13.040 13.516 1.00 0.00 O ATOM 869 CB GLU A 56 -11.753 -12.146 10.556 1.00 0.00 C ATOM 870 CG GLU A 56 -12.695 -12.371 9.372 1.00 0.00 C ATOM 871 CD GLU A 56 -13.359 -13.743 9.501 1.00 0.00 C ATOM 872 OE1 GLU A 56 -12.850 -14.558 10.253 1.00 0.00 O ATOM 873 OE2 GLU A 56 -14.366 -13.956 8.846 1.00 0.00 O ATOM 0 H GLU A 56 -13.465 -10.512 10.951 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.079 -13.161 11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.263 -11.176 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.967 -12.901 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.454 -11.589 9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.140 -12.310 8.436 1.00 0.00 H new ATOM 880 N LEU A 57 -11.528 -10.899 13.619 1.00 0.00 N ATOM 881 CA LEU A 57 -10.665 -10.680 14.815 1.00 0.00 C ATOM 882 C LEU A 57 -11.497 -10.852 16.087 1.00 0.00 C ATOM 883 O LEU A 57 -11.050 -10.560 17.181 1.00 0.00 O ATOM 884 CB LEU A 57 -10.173 -9.237 14.699 1.00 0.00 C ATOM 885 CG LEU A 57 -9.368 -9.064 13.412 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.921 -7.608 13.287 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.136 -9.969 13.451 1.00 0.00 C ATOM 0 H LEU A 57 -12.016 -10.069 13.283 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.837 -11.387 14.863 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.022 -8.553 14.702 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.556 -8.984 15.561 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.989 -9.333 12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.346 -7.481 12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.797 -6.960 13.259 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.301 -7.343 14.143 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.563 -9.844 12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.514 -9.701 14.305 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.451 -11.008 13.544 1.00 0.00 H new ATOM 899 N LYS A 58 -12.710 -11.323 15.951 1.00 0.00 N ATOM 900 CA LYS A 58 -13.578 -11.513 17.147 1.00 0.00 C ATOM 901 C LYS A 58 -12.756 -12.061 18.318 1.00 0.00 C ATOM 902 O LYS A 58 -12.799 -11.515 19.402 1.00 0.00 O ATOM 903 CB LYS A 58 -14.646 -12.518 16.702 1.00 0.00 C ATOM 904 CG LYS A 58 -15.160 -13.303 17.911 1.00 0.00 C ATOM 905 CD LYS A 58 -16.367 -14.146 17.494 1.00 0.00 C ATOM 906 CE LYS A 58 -17.551 -13.227 17.187 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.135 -13.765 15.925 1.00 0.00 N ATOM 0 H LYS A 58 -13.135 -11.584 15.061 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.023 -10.580 17.493 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.472 -11.995 16.220 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.228 -13.203 15.964 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.372 -13.946 18.303 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.440 -12.618 18.711 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.120 -14.744 16.617 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.630 -14.842 18.290 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.281 -13.238 17.997 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.228 -12.193 17.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.954 -13.187 15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.419 -13.736 15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.440 -14.748 16.075 1.00 0.00 H new ATOM 921 N PRO A 59 -12.018 -13.114 18.068 1.00 0.00 N ATOM 922 CA PRO A 59 -11.178 -13.708 19.130 1.00 0.00 C ATOM 923 C PRO A 59 -10.236 -12.649 19.711 1.00 0.00 C ATOM 924 O PRO A 59 -10.083 -12.539 20.910 1.00 0.00 O ATOM 925 CB PRO A 59 -10.409 -14.801 18.380 1.00 0.00 C ATOM 926 CG PRO A 59 -10.853 -14.793 16.905 1.00 0.00 C ATOM 927 CD PRO A 59 -11.979 -13.763 16.736 1.00 0.00 C ATOM 0 HA PRO A 59 -11.740 -14.097 19.979 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.336 -14.626 18.453 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.604 -15.775 18.828 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.012 -14.543 16.258 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.199 -15.783 16.609 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.761 -13.049 15.942 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.929 -14.236 16.487 1.00 0.00 H new ATOM 935 N LEU A 60 -9.606 -11.865 18.875 1.00 0.00 N ATOM 936 CA LEU A 60 -8.684 -10.819 19.400 1.00 0.00 C ATOM 937 C LEU A 60 -9.413 -9.938 20.417 1.00 0.00 C ATOM 938 O LEU A 60 -8.892 -9.630 21.470 1.00 0.00 O ATOM 939 CB LEU A 60 -8.274 -10.001 18.176 1.00 0.00 C ATOM 940 CG LEU A 60 -6.772 -9.717 18.234 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.042 -10.635 17.250 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.511 -8.257 17.858 1.00 0.00 C ATOM 0 H LEU A 60 -9.690 -11.904 17.859 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.821 -11.246 19.910 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.517 -10.545 17.263 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.831 -9.065 18.147 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.407 -9.901 19.244 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.972 -10.434 17.290 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.226 -11.675 17.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.408 -10.450 16.240 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.440 -8.056 17.900 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.876 -8.071 16.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.030 -7.603 18.558 1.00 0.00 H new ATOM 954 N CYS A 61 -10.620 -9.535 20.116 1.00 0.00 N ATOM 955 CA CYS A 61 -11.379 -8.679 21.073 1.00 0.00 C ATOM 956 C CYS A 61 -11.661 -9.453 22.363 1.00 0.00 C ATOM 957 O CYS A 61 -11.801 -8.879 23.425 1.00 0.00 O ATOM 958 CB CYS A 61 -12.689 -8.345 20.358 1.00 0.00 C ATOM 959 SG CYS A 61 -12.336 -7.462 18.818 1.00 0.00 S ATOM 0 H CYS A 61 -11.111 -9.761 19.251 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.825 -7.782 21.350 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.242 -9.260 20.145 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.321 -7.734 21.002 1.00 0.00 H new ATOM 964 N LYS A 62 -11.746 -10.753 22.279 1.00 0.00 N ATOM 965 CA LYS A 62 -12.019 -11.561 23.500 1.00 0.00 C ATOM 966 C LYS A 62 -10.703 -11.990 24.144 1.00 0.00 C ATOM 967 O LYS A 62 -10.682 -12.734 25.103 1.00 0.00 O ATOM 968 CB LYS A 62 -12.796 -12.780 23.002 1.00 0.00 C ATOM 969 CG LYS A 62 -14.145 -12.329 22.441 1.00 0.00 C ATOM 970 CD LYS A 62 -14.992 -13.556 22.098 1.00 0.00 C ATOM 971 CE LYS A 62 -16.280 -13.107 21.406 1.00 0.00 C ATOM 972 NZ LYS A 62 -17.377 -13.713 22.211 1.00 0.00 N ATOM 0 H LYS A 62 -11.638 -11.289 21.418 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.577 -11.004 24.252 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.225 -13.299 22.232 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.947 -13.487 23.818 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.665 -11.708 23.170 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.995 -11.718 21.551 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.432 -14.228 21.448 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.228 -14.113 23.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.359 -12.020 21.385 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.313 -13.449 20.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.295 -13.451 21.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.279 -14.748 22.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.324 -13.364 23.189 1.00 0.00 H new ATOM 986 N GLU A 63 -9.602 -11.527 23.620 1.00 0.00 N ATOM 987 CA GLU A 63 -8.285 -11.908 24.197 1.00 0.00 C ATOM 988 C GLU A 63 -7.612 -10.687 24.828 1.00 0.00 C ATOM 989 O GLU A 63 -7.616 -9.616 24.255 1.00 0.00 O ATOM 990 CB GLU A 63 -7.467 -12.403 23.006 1.00 0.00 C ATOM 991 CG GLU A 63 -7.229 -13.904 23.146 1.00 0.00 C ATOM 992 CD GLU A 63 -6.511 -14.426 21.900 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.885 -13.626 21.223 1.00 0.00 O ATOM 994 OE2 GLU A 63 -6.599 -15.615 21.644 1.00 0.00 O ATOM 0 H GLU A 63 -9.559 -10.901 22.816 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.378 -12.663 24.978 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.994 -12.192 22.075 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.515 -11.875 22.960 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.631 -14.107 24.035 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.179 -14.423 23.275 1.00 0.00 H new ATOM 1001 N PRO A 64 -7.044 -10.886 25.987 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.353 -9.785 26.688 1.00 0.00 C ATOM 1003 C PRO A 64 -5.178 -9.286 25.843 1.00 0.00 C ATOM 1004 O PRO A 64 -4.704 -8.180 26.008 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.865 -10.458 27.974 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.302 -11.935 27.955 1.00 0.00 C ATOM 1007 CD PRO A 64 -7.064 -12.210 26.651 1.00 0.00 C ATOM 0 HA PRO A 64 -6.980 -8.914 26.877 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.780 -10.386 28.050 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.280 -9.952 28.846 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.431 -12.587 28.028 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.936 -12.152 28.815 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.575 -12.975 26.048 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.081 -12.555 26.839 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.700 -10.105 24.944 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.548 -9.689 24.092 1.00 0.00 C ATOM 1017 C ASN A 65 -4.016 -8.790 22.942 1.00 0.00 C ATOM 1018 O ASN A 65 -3.215 -8.188 22.255 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.972 -10.997 23.548 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.547 -11.888 24.716 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.394 -11.421 25.828 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.345 -13.160 24.510 1.00 0.00 N ATOM 0 H ASN A 65 -5.057 -11.043 24.763 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.812 -9.114 24.654 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.716 -11.509 22.937 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.118 -10.791 22.903 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.059 -13.762 25.282 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.473 -13.552 23.577 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.300 -8.689 22.722 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.791 -7.822 21.614 1.00 0.00 C ATOM 1031 C ALA A 66 -5.099 -6.460 21.674 1.00 0.00 C ATOM 1032 O ALA A 66 -4.796 -5.860 20.662 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.291 -7.670 21.861 1.00 0.00 C ATOM 0 H ALA A 66 -6.025 -9.166 23.258 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.583 -8.247 20.632 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.726 -7.042 21.083 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.764 -8.652 21.842 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.454 -7.208 22.834 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.843 -5.970 22.856 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.167 -4.649 22.985 1.00 0.00 C ATOM 1041 C GLN A 67 -2.796 -4.694 22.309 1.00 0.00 C ATOM 1042 O GLN A 67 -2.405 -3.779 21.612 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.015 -4.430 24.490 1.00 0.00 C ATOM 1044 CG GLN A 67 -3.499 -3.013 24.751 1.00 0.00 C ATOM 1045 CD GLN A 67 -3.259 -2.826 26.250 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -2.430 -3.495 26.834 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -3.957 -1.937 26.904 1.00 0.00 N ATOM 0 H GLN A 67 -5.073 -6.428 23.738 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.731 -3.845 22.511 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.973 -4.577 24.988 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.324 -5.163 24.907 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.574 -2.844 24.200 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.222 -2.280 24.393 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.653 -1.375 26.415 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.806 -1.805 27.904 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.065 -5.758 22.502 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.724 -5.867 21.861 1.00 0.00 C ATOM 1058 C GLU A 68 -0.878 -6.296 20.401 1.00 0.00 C ATOM 1059 O GLU A 68 -0.179 -5.822 19.527 1.00 0.00 O ATOM 1060 CB GLU A 68 0.013 -6.939 22.666 1.00 0.00 C ATOM 1061 CG GLU A 68 0.193 -6.458 24.108 1.00 0.00 C ATOM 1062 CD GLU A 68 0.961 -7.513 24.906 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.141 -8.603 24.388 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.355 -7.213 26.020 1.00 0.00 O ATOM 0 H GLU A 68 -2.338 -6.556 23.076 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.183 -4.921 21.859 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.550 -7.872 22.650 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.984 -7.144 22.216 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.733 -5.512 24.122 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.779 -6.277 24.566 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.793 -7.186 20.131 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.998 -7.640 18.726 1.00 0.00 C ATOM 1073 C ILE A 69 -2.462 -6.467 17.865 1.00 0.00 C ATOM 1074 O ILE A 69 -1.990 -6.263 16.764 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.093 -8.705 18.802 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.630 -9.858 19.694 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.389 -9.230 17.396 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.796 -10.822 19.924 1.00 0.00 C ATOM 0 H ILE A 69 -2.407 -7.618 20.821 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.083 -8.030 18.281 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.997 -8.266 19.224 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.797 -10.383 19.226 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.269 -9.472 20.647 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.169 -9.989 17.448 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.724 -8.408 16.764 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.485 -9.667 16.973 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.468 -11.645 20.560 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.615 -10.292 20.410 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.136 -11.217 18.967 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.386 -5.692 18.362 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.885 -4.529 17.578 1.00 0.00 C ATOM 1092 C LEU A 70 -2.713 -3.664 17.112 1.00 0.00 C ATOM 1093 O LEU A 70 -2.563 -3.386 15.940 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.779 -3.749 18.545 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.217 -2.435 17.893 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.081 -1.414 17.988 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.560 -2.680 16.421 1.00 0.00 C ATOM 0 H LEU A 70 -3.817 -5.815 19.278 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.427 -4.837 16.684 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.653 -4.345 18.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.240 -3.546 19.471 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.096 -2.051 18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.393 -0.478 17.524 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.838 -1.236 19.036 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.201 -1.799 17.472 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.872 -1.743 15.959 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.682 -3.066 15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.371 -3.406 16.352 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.878 -3.237 18.020 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.717 -2.391 17.623 1.00 0.00 C ATOM 1111 C GLN A 71 0.010 -3.014 16.430 1.00 0.00 C ATOM 1112 O GLN A 71 0.241 -2.372 15.425 1.00 0.00 O ATOM 1113 CB GLN A 71 0.193 -2.371 18.852 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.521 -1.662 20.005 1.00 0.00 C ATOM 1115 CD GLN A 71 0.380 -1.667 21.242 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.333 -2.418 21.309 1.00 0.00 O ATOM 1117 NE2 GLN A 71 0.116 -0.858 22.231 1.00 0.00 N ATOM 0 H GLN A 71 -1.949 -3.437 19.018 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.021 -1.389 17.321 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.452 -3.389 19.142 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.126 -1.859 18.618 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.763 -0.638 19.722 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.464 -2.163 20.226 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.684 -0.228 22.175 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.710 -0.856 23.060 1.00 0.00 H new ATOM 1126 N ARG A 72 0.380 -4.261 16.539 1.00 0.00 N ATOM 1127 CA ARG A 72 1.102 -4.930 15.417 1.00 0.00 C ATOM 1128 C ARG A 72 0.258 -4.894 14.141 1.00 0.00 C ATOM 1129 O ARG A 72 0.649 -4.316 13.145 1.00 0.00 O ATOM 1130 CB ARG A 72 1.310 -6.370 15.886 1.00 0.00 C ATOM 1131 CG ARG A 72 2.186 -6.376 17.142 1.00 0.00 C ATOM 1132 CD ARG A 72 2.462 -7.821 17.567 1.00 0.00 C ATOM 1133 NE ARG A 72 3.120 -7.711 18.899 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.304 -8.781 19.627 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.748 -9.909 19.280 1.00 0.00 N ATOM 1136 NH2 ARG A 72 4.045 -8.721 20.700 1.00 0.00 N ATOM 0 H ARG A 72 0.214 -4.847 17.357 1.00 0.00 H new ATOM 0 HA ARG A 72 2.045 -4.437 15.181 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.348 -6.837 16.098 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.782 -6.956 15.097 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.125 -5.858 16.946 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.688 -5.838 17.948 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.539 -8.398 17.629 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.107 -8.328 16.849 1.00 0.00 H new ATOM 0 HE ARG A 72 3.427 -6.801 19.243 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.170 -9.956 18.441 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.891 -10.744 19.848 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.480 -7.839 20.970 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.189 -9.556 21.268 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.892 -5.508 14.158 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.753 -5.507 12.941 1.00 0.00 C ATOM 1152 C LEU A 73 -1.811 -4.102 12.336 1.00 0.00 C ATOM 1153 O LEU A 73 -1.557 -3.909 11.165 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.137 -5.935 13.428 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.054 -7.329 14.052 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.465 -7.832 14.362 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.376 -8.286 13.070 1.00 0.00 C ATOM 0 H LEU A 73 -1.273 -6.010 14.960 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.370 -6.173 12.168 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.513 -5.220 14.160 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.841 -5.940 12.596 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.474 -7.282 14.974 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.408 -8.825 14.807 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.949 -7.149 15.060 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.045 -7.880 13.440 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.316 -9.280 13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.957 -8.334 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.371 -7.927 12.847 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.151 -3.121 13.126 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.233 -1.730 12.599 1.00 0.00 C ATOM 1171 C GLU A 74 -0.913 -1.321 11.936 1.00 0.00 C ATOM 1172 O GLU A 74 -0.898 -0.785 10.846 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.500 -0.856 13.825 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.811 -1.286 14.483 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.979 -0.975 13.545 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.784 -0.196 12.626 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -6.048 -1.522 13.761 1.00 0.00 O ATOM 0 H GLU A 74 -2.376 -3.223 14.116 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.010 -1.630 11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.678 -0.946 14.535 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.555 0.193 13.532 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.785 -2.352 14.707 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.943 -0.764 15.431 1.00 0.00 H new ATOM 1184 N GLU A 75 0.192 -1.559 12.588 1.00 0.00 N ATOM 1185 CA GLU A 75 1.507 -1.171 11.999 1.00 0.00 C ATOM 1186 C GLU A 75 1.698 -1.817 10.625 1.00 0.00 C ATOM 1187 O GLU A 75 1.984 -1.149 9.650 1.00 0.00 O ATOM 1188 CB GLU A 75 2.548 -1.697 12.986 1.00 0.00 C ATOM 1189 CG GLU A 75 3.938 -1.213 12.568 1.00 0.00 C ATOM 1190 CD GLU A 75 4.037 0.299 12.777 1.00 0.00 C ATOM 1191 OE1 GLU A 75 3.306 0.813 13.607 1.00 0.00 O ATOM 1192 OE2 GLU A 75 4.843 0.918 12.102 1.00 0.00 O ATOM 0 H GLU A 75 0.242 -2.006 13.504 1.00 0.00 H new ATOM 0 HA GLU A 75 1.586 -0.094 11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.318 -1.349 13.993 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.523 -2.786 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.703 -1.722 13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.121 -1.459 11.522 1.00 0.00 H new ATOM 1199 N ILE A 76 1.542 -3.107 10.536 1.00 0.00 N ATOM 1200 CA ILE A 76 1.718 -3.784 9.220 1.00 0.00 C ATOM 1201 C ILE A 76 0.658 -3.288 8.232 1.00 0.00 C ATOM 1202 O ILE A 76 0.914 -3.132 7.055 1.00 0.00 O ATOM 1203 CB ILE A 76 1.531 -5.272 9.510 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.526 -5.709 10.588 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.779 -6.075 8.232 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.921 -5.193 10.232 1.00 0.00 C ATOM 0 H ILE A 76 1.301 -3.721 11.314 1.00 0.00 H new ATOM 0 HA ILE A 76 2.691 -3.579 8.774 1.00 0.00 H new ATOM 0 HB ILE A 76 0.514 -5.450 9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.220 -5.321 11.560 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.538 -6.796 10.668 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.646 -7.137 8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.072 -5.763 7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.796 -5.898 7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.630 -5.504 10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.226 -5.602 9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.903 -4.105 10.174 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.527 -3.033 8.709 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.601 -2.541 7.802 1.00 0.00 C ATOM 1220 C ALA A 77 -1.163 -1.233 7.138 1.00 0.00 C ATOM 1221 O ALA A 77 -1.505 -0.952 6.007 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.810 -2.304 8.708 1.00 0.00 C ATOM 0 H ALA A 77 -0.799 -3.144 9.686 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.826 -3.248 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.646 -1.939 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.091 -3.239 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.556 -1.564 9.467 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.411 -0.431 7.839 1.00 0.00 N ATOM 1229 CA GLU A 78 0.050 0.863 7.261 1.00 0.00 C ATOM 1230 C GLU A 78 0.905 0.624 6.013 1.00 0.00 C ATOM 1231 O GLU A 78 0.832 1.365 5.051 1.00 0.00 O ATOM 1232 CB GLU A 78 0.883 1.511 8.367 1.00 0.00 C ATOM 1233 CG GLU A 78 1.287 2.925 7.942 1.00 0.00 C ATOM 1234 CD GLU A 78 2.219 3.526 8.995 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.512 2.839 9.959 1.00 0.00 O ATOM 1236 OE2 GLU A 78 2.623 4.664 8.820 1.00 0.00 O ATOM 0 H GLU A 78 -0.095 -0.616 8.791 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.783 1.493 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.310 1.548 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.772 0.912 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.785 2.897 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.401 3.549 7.826 1.00 0.00 H new ATOM 1243 N ASP A 79 1.719 -0.397 6.016 1.00 0.00 N ATOM 1244 CA ASP A 79 2.576 -0.666 4.823 1.00 0.00 C ATOM 1245 C ASP A 79 2.861 -2.164 4.689 1.00 0.00 C ATOM 1246 O ASP A 79 2.732 -2.910 5.640 1.00 0.00 O ATOM 1247 CB ASP A 79 3.877 0.095 5.082 1.00 0.00 C ATOM 1248 CG ASP A 79 4.242 0.007 6.565 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.806 -1.002 6.957 1.00 0.00 O ATOM 1250 OD2 ASP A 79 3.951 0.948 7.284 1.00 0.00 O ATOM 0 H ASP A 79 1.828 -1.054 6.788 1.00 0.00 H new ATOM 0 HA ASP A 79 2.090 -0.351 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.680 -0.322 4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.764 1.138 4.787 1.00 0.00 H new ATOM 1255 N PRO A 80 3.249 -2.551 3.503 1.00 0.00 N ATOM 1256 CA PRO A 80 3.568 -3.971 3.224 1.00 0.00 C ATOM 1257 C PRO A 80 4.735 -4.441 4.095 1.00 0.00 C ATOM 1258 O PRO A 80 4.597 -5.344 4.896 1.00 0.00 O ATOM 1259 CB PRO A 80 3.961 -3.941 1.743 1.00 0.00 C ATOM 1260 CG PRO A 80 3.850 -2.491 1.229 1.00 0.00 C ATOM 1261 CD PRO A 80 3.389 -1.592 2.383 1.00 0.00 C ATOM 0 HA PRO A 80 2.747 -4.656 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.979 -4.310 1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.309 -4.597 1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.813 -2.151 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.142 -2.437 0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.118 -0.812 2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.447 -1.093 2.157 1.00 0.00 H new ATOM 1269 N GLY A 81 5.888 -3.847 3.941 1.00 0.00 N ATOM 1270 CA GLY A 81 7.055 -4.278 4.758 1.00 0.00 C ATOM 1271 C GLY A 81 7.583 -5.604 4.208 1.00 0.00 C ATOM 1272 O GLY A 81 7.606 -5.825 3.015 1.00 0.00 O ATOM 0 H GLY A 81 6.070 -3.085 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.837 -3.519 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.763 -4.393 5.802 1.00 0.00 H new ATOM 1276 N THR A 82 7.999 -6.491 5.068 1.00 0.00 N ATOM 1277 CA THR A 82 8.513 -7.806 4.587 1.00 0.00 C ATOM 1278 C THR A 82 7.336 -8.725 4.251 1.00 0.00 C ATOM 1279 O THR A 82 7.460 -9.664 3.492 1.00 0.00 O ATOM 1280 CB THR A 82 9.320 -8.369 5.758 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.456 -8.591 6.863 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.414 -7.374 6.152 1.00 0.00 C ATOM 0 H THR A 82 8.006 -6.364 6.080 1.00 0.00 H new ATOM 0 HA THR A 82 9.121 -7.716 3.686 1.00 0.00 H new ATOM 0 HB THR A 82 9.781 -9.312 5.463 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.958 -8.483 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.988 -7.776 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.077 -7.207 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.957 -6.429 6.448 1.00 0.00 H new ATOM 1290 N CYS A 83 6.193 -8.455 4.816 1.00 0.00 N ATOM 1291 CA CYS A 83 5.004 -9.307 4.534 1.00 0.00 C ATOM 1292 C CYS A 83 4.789 -9.422 3.022 1.00 0.00 C ATOM 1293 O CYS A 83 4.655 -10.503 2.483 1.00 0.00 O ATOM 1294 CB CYS A 83 3.830 -8.579 5.192 1.00 0.00 C ATOM 1295 SG CYS A 83 2.366 -9.642 5.173 1.00 0.00 S ATOM 0 H CYS A 83 6.030 -7.682 5.461 1.00 0.00 H new ATOM 0 HA CYS A 83 5.118 -10.321 4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.084 -8.312 6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.623 -7.649 4.662 1.00 0.00 H new ATOM 1300 N GLU A 84 4.747 -8.314 2.338 1.00 0.00 N ATOM 1301 CA GLU A 84 4.528 -8.347 0.862 1.00 0.00 C ATOM 1302 C GLU A 84 5.616 -9.166 0.159 1.00 0.00 C ATOM 1303 O GLU A 84 5.367 -9.809 -0.840 1.00 0.00 O ATOM 1304 CB GLU A 84 4.598 -6.884 0.425 1.00 0.00 C ATOM 1305 CG GLU A 84 4.261 -6.780 -1.064 1.00 0.00 C ATOM 1306 CD GLU A 84 4.453 -5.336 -1.531 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.878 -4.525 -0.725 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.171 -5.065 -2.687 1.00 0.00 O ATOM 0 H GLU A 84 4.855 -7.382 2.738 1.00 0.00 H new ATOM 0 HA GLU A 84 3.578 -8.815 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.900 -6.285 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.595 -6.485 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.901 -7.448 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.232 -7.096 -1.238 1.00 0.00 H new ATOM 1315 N ILE A 85 6.824 -9.142 0.658 1.00 0.00 N ATOM 1316 CA ILE A 85 7.911 -9.918 -0.008 1.00 0.00 C ATOM 1317 C ILE A 85 8.108 -11.268 0.687 1.00 0.00 C ATOM 1318 O ILE A 85 9.087 -11.953 0.466 1.00 0.00 O ATOM 1319 CB ILE A 85 9.163 -9.047 0.123 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.634 -9.037 1.578 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.837 -7.618 -0.315 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.678 -7.935 1.767 1.00 0.00 C ATOM 0 H ILE A 85 7.103 -8.623 1.491 1.00 0.00 H new ATOM 0 HA ILE A 85 7.680 -10.137 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 85 9.952 -9.453 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.788 -8.870 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.060 -10.005 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.728 -6.997 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.504 -7.623 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.046 -7.215 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.015 -7.927 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.528 -8.123 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.236 -6.969 1.521 1.00 0.00 H new ATOM 1334 N CYS A 86 7.184 -11.657 1.521 1.00 0.00 N ATOM 1335 CA CYS A 86 7.313 -12.967 2.225 1.00 0.00 C ATOM 1336 C CYS A 86 8.627 -13.027 3.009 1.00 0.00 C ATOM 1337 O CYS A 86 9.053 -14.079 3.443 1.00 0.00 O ATOM 1338 CB CYS A 86 7.307 -14.016 1.114 1.00 0.00 C ATOM 1339 SG CYS A 86 5.814 -15.032 1.251 1.00 0.00 S ATOM 0 H CYS A 86 6.344 -11.125 1.747 1.00 0.00 H new ATOM 0 HA CYS A 86 6.509 -13.126 2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.340 -13.529 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.195 -14.644 1.187 1.00 0.00 H new ATOM 1344 N ALA A 87 9.274 -11.909 3.196 1.00 0.00 N ATOM 1345 CA ALA A 87 10.557 -11.913 3.954 1.00 0.00 C ATOM 1346 C ALA A 87 10.304 -12.320 5.407 1.00 0.00 C ATOM 1347 O ALA A 87 11.216 -12.653 6.138 1.00 0.00 O ATOM 1348 CB ALA A 87 11.067 -10.475 3.880 1.00 0.00 C ATOM 0 H ALA A 87 8.971 -10.996 2.858 1.00 0.00 H new ATOM 0 HA ALA A 87 11.279 -12.620 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.012 -10.396 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.218 -10.196 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.335 -9.806 4.333 1.00 0.00 H new ATOM 1354 N TYR A 88 9.070 -12.294 5.829 1.00 0.00 N ATOM 1355 CA TYR A 88 8.752 -12.676 7.235 1.00 0.00 C ATOM 1356 C TYR A 88 7.467 -13.508 7.281 1.00 0.00 C ATOM 1357 O TYR A 88 6.742 -13.603 6.310 1.00 0.00 O ATOM 1358 CB TYR A 88 8.559 -11.348 7.967 1.00 0.00 C ATOM 1359 CG TYR A 88 8.423 -11.602 9.448 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.406 -12.334 10.126 1.00 0.00 C ATOM 1361 CD2 TYR A 88 7.316 -11.104 10.144 1.00 0.00 C ATOM 1362 CE1 TYR A 88 9.279 -12.569 11.500 1.00 0.00 C ATOM 1363 CE2 TYR A 88 7.189 -11.339 11.518 1.00 0.00 C ATOM 1364 CZ TYR A 88 8.171 -12.071 12.196 1.00 0.00 C ATOM 1365 OH TYR A 88 8.046 -12.303 13.551 1.00 0.00 O ATOM 0 H TYR A 88 8.267 -12.025 5.261 1.00 0.00 H new ATOM 0 HA TYR A 88 9.536 -13.283 7.688 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.407 -10.690 7.777 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.671 -10.840 7.592 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.261 -12.717 9.589 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.559 -10.538 9.621 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.036 -13.135 12.023 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.334 -10.956 12.055 1.00 0.00 H new ATOM 0 HH TYR A 88 7.221 -11.888 13.879 1.00 0.00 H new ATOM 1375 N ALA A 89 7.182 -14.111 8.402 1.00 0.00 N ATOM 1376 CA ALA A 89 5.946 -14.938 8.511 1.00 0.00 C ATOM 1377 C ALA A 89 4.711 -14.037 8.616 1.00 0.00 C ATOM 1378 O ALA A 89 3.600 -14.506 8.768 1.00 0.00 O ATOM 1379 CB ALA A 89 6.126 -15.752 9.793 1.00 0.00 C ATOM 0 H ALA A 89 7.751 -14.067 9.247 1.00 0.00 H new ATOM 0 HA ALA A 89 5.799 -15.576 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.255 -16.389 9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.018 -16.372 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.233 -15.076 10.641 1.00 0.00 H new ATOM 1385 N ALA A 90 4.896 -12.749 8.535 1.00 0.00 N ATOM 1386 CA ALA A 90 3.733 -11.821 8.632 1.00 0.00 C ATOM 1387 C ALA A 90 2.765 -12.054 7.469 1.00 0.00 C ATOM 1388 O ALA A 90 1.562 -11.971 7.624 1.00 0.00 O ATOM 1389 CB ALA A 90 4.338 -10.419 8.549 1.00 0.00 C ATOM 0 H ALA A 90 5.802 -12.298 8.406 1.00 0.00 H new ATOM 0 HA ALA A 90 3.165 -11.970 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.544 -9.676 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.037 -10.275 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.865 -10.306 7.602 1.00 0.00 H new ATOM 1395 N CYS A 91 3.278 -12.343 6.303 1.00 0.00 N ATOM 1396 CA CYS A 91 2.381 -12.576 5.134 1.00 0.00 C ATOM 1397 C CYS A 91 2.261 -14.072 4.841 1.00 0.00 C ATOM 1398 O CYS A 91 3.238 -14.745 4.579 1.00 0.00 O ATOM 1399 CB CYS A 91 3.054 -11.860 3.965 1.00 0.00 C ATOM 1400 SG CYS A 91 2.043 -10.446 3.461 1.00 0.00 S ATOM 0 H CYS A 91 4.276 -12.428 6.110 1.00 0.00 H new ATOM 0 HA CYS A 91 1.372 -12.206 5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.050 -11.524 4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.181 -12.547 3.128 1.00 0.00 H new ATOM 1405 N THR A 92 1.068 -14.597 4.880 1.00 0.00 N ATOM 1406 CA THR A 92 0.885 -16.049 4.602 1.00 0.00 C ATOM 1407 C THR A 92 0.139 -16.245 3.278 1.00 0.00 C ATOM 1408 O THR A 92 -0.432 -15.321 2.734 1.00 0.00 O ATOM 1409 CB THR A 92 0.051 -16.570 5.771 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.291 -16.128 5.628 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.630 -16.038 7.084 1.00 0.00 C ATOM 0 H THR A 92 0.212 -14.084 5.092 1.00 0.00 H new ATOM 0 HA THR A 92 1.834 -16.577 4.510 1.00 0.00 H new ATOM 0 HB THR A 92 0.074 -17.660 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.827 -16.463 6.377 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.037 -16.408 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.660 -16.378 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.606 -14.948 7.077 1.00 0.00 H new ATOM 1419 N GLY A 93 0.139 -17.442 2.758 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.570 -17.696 1.472 1.00 0.00 C ATOM 1421 C GLY A 93 0.409 -17.540 0.307 1.00 0.00 C ATOM 1422 O GLY A 93 0.237 -18.123 -0.744 1.00 0.00 O ATOM 0 H GLY A 93 0.599 -18.255 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.995 -18.700 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.400 -16.999 1.359 1.00 0.00 H new ATOM 1426 N CYS A 94 1.439 -16.756 0.485 1.00 0.00 N ATOM 1427 CA CYS A 94 2.427 -16.563 -0.613 1.00 0.00 C ATOM 1428 C CYS A 94 3.377 -17.761 -0.689 1.00 0.00 C ATOM 1429 O CYS A 94 3.585 -18.393 0.334 1.00 0.00 O ATOM 1430 CB CYS A 94 3.191 -15.295 -0.235 1.00 0.00 C ATOM 1431 SG CYS A 94 3.920 -15.494 1.410 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.881 -18.026 -1.769 1.00 0.00 O ATOM 0 H CYS A 94 1.638 -16.242 1.343 1.00 0.00 H new ATOM 0 HA CYS A 94 1.949 -16.477 -1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.972 -15.097 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.519 -14.437 -0.245 1.00 0.00 H new TER 1437 CYS A 94