USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 CYS SG : rot 180:sc= 1.53 USER MOD Set 1.2: A 29 CYS SG : rot 170:sc= -0.653 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0202 (180deg=-0.124) USER MOD Single : A 3 SER OG : rot -81:sc= -0.697 USER MOD Single : A 14 CYS SG : rot -33:sc= 0.00317 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.671 K(o=0.67,f=-0.87) USER MOD Single : A 24 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.5) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 45 MET CE :methyl -135:sc= -0.238 (180deg=-1.42) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0922 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 67 HIS : no HD1:sc= 1.02 K(o=1,f=-4.9!) USER MOD Single : A 68 HIS : no HD1:sc= -0.517 K(o=-0.52,f=0.13) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.027 X(o=-0.027,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.354 -2.216 -19.984 1.00 0.00 N ATOM 2 CA MET A 1 -27.042 -1.625 -20.321 1.00 0.00 C ATOM 3 C MET A 1 -25.930 -2.571 -19.915 1.00 0.00 C ATOM 4 O MET A 1 -26.035 -3.265 -18.902 1.00 0.00 O ATOM 5 CB MET A 1 -26.859 -0.279 -19.612 1.00 0.00 C ATOM 6 CG MET A 1 -27.828 0.795 -20.080 1.00 0.00 C ATOM 7 SD MET A 1 -27.622 2.351 -19.190 1.00 0.00 S ATOM 8 CE MET A 1 -28.857 3.364 -19.998 1.00 0.00 C ATOM 0 H1 MET A 1 -28.938 -2.277 -20.842 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.215 -3.169 -19.591 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.834 -1.618 -19.281 1.00 0.00 H new ATOM 0 HA MET A 1 -27.003 -1.461 -21.398 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.982 -0.424 -18.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.839 0.070 -19.772 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.684 0.969 -21.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.850 0.439 -19.950 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.854 4.361 -19.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.630 3.436 -21.062 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.840 2.913 -19.867 1.00 0.00 H new ATOM 20 N GLU A 2 -24.874 -2.604 -20.711 1.00 0.00 N ATOM 21 CA GLU A 2 -23.742 -3.474 -20.441 1.00 0.00 C ATOM 22 C GLU A 2 -22.562 -2.652 -19.950 1.00 0.00 C ATOM 23 O GLU A 2 -22.160 -1.679 -20.590 1.00 0.00 O ATOM 24 CB GLU A 2 -23.343 -4.258 -21.695 1.00 0.00 C ATOM 25 CG GLU A 2 -24.490 -5.027 -22.330 1.00 0.00 C ATOM 26 CD GLU A 2 -25.217 -5.921 -21.348 1.00 0.00 C ATOM 27 OE1 GLU A 2 -24.619 -6.907 -20.874 1.00 0.00 O ATOM 28 OE2 GLU A 2 -26.401 -5.650 -21.064 1.00 0.00 O ATOM 0 H GLU A 2 -24.777 -2.036 -21.553 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.034 -4.186 -19.669 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.932 -3.565 -22.429 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.548 -4.958 -21.437 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -25.198 -4.321 -22.763 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -24.104 -5.634 -23.149 1.00 0.00 H new ATOM 35 N SER A 3 -22.013 -3.040 -18.812 1.00 0.00 N ATOM 36 CA SER A 3 -20.891 -2.325 -18.231 1.00 0.00 C ATOM 37 C SER A 3 -19.587 -3.049 -18.543 1.00 0.00 C ATOM 38 O SER A 3 -19.539 -4.282 -18.551 1.00 0.00 O ATOM 39 CB SER A 3 -21.082 -2.190 -16.717 1.00 0.00 C ATOM 40 OG SER A 3 -20.088 -1.358 -16.144 1.00 0.00 O ATOM 0 H SER A 3 -22.326 -3.847 -18.272 1.00 0.00 H new ATOM 0 HA SER A 3 -20.844 -1.327 -18.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.069 -1.777 -16.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.045 -3.176 -16.254 1.00 0.00 H new ATOM 0 HG SER A 3 -19.267 -1.875 -16.008 1.00 0.00 H new ATOM 46 N ARG A 4 -18.544 -2.281 -18.829 1.00 0.00 N ATOM 47 CA ARG A 4 -17.227 -2.843 -19.089 1.00 0.00 C ATOM 48 C ARG A 4 -16.300 -2.511 -17.921 1.00 0.00 C ATOM 49 O ARG A 4 -16.258 -3.246 -16.931 1.00 0.00 O ATOM 50 CB ARG A 4 -16.664 -2.298 -20.412 1.00 0.00 C ATOM 51 CG ARG A 4 -17.640 -2.427 -21.573 1.00 0.00 C ATOM 52 CD ARG A 4 -17.094 -1.841 -22.866 1.00 0.00 C ATOM 53 NE ARG A 4 -18.136 -1.754 -23.890 1.00 0.00 N ATOM 54 CZ ARG A 4 -17.926 -1.441 -25.171 1.00 0.00 C ATOM 55 NH1 ARG A 4 -16.700 -1.182 -25.616 1.00 0.00 N ATOM 56 NH2 ARG A 4 -18.952 -1.377 -26.007 1.00 0.00 N ATOM 0 H ARG A 4 -18.586 -1.263 -18.887 1.00 0.00 H new ATOM 0 HA ARG A 4 -17.304 -3.926 -19.183 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -16.399 -1.249 -20.283 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -15.745 -2.831 -20.656 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -17.877 -3.480 -21.728 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -18.572 -1.924 -21.316 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -16.685 -0.849 -22.674 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -16.273 -2.459 -23.230 1.00 0.00 H new ATOM 0 HE ARG A 4 -19.096 -1.947 -23.603 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.906 -1.221 -24.976 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.553 -0.944 -26.597 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -19.896 -1.566 -25.671 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -18.798 -1.138 -26.987 1.00 0.00 H new ATOM 70 N LEU A 5 -15.590 -1.386 -18.043 1.00 0.00 N ATOM 71 CA LEU A 5 -14.790 -0.812 -16.954 1.00 0.00 C ATOM 72 C LEU A 5 -13.600 -1.680 -16.537 1.00 0.00 C ATOM 73 O LEU A 5 -13.632 -2.906 -16.604 1.00 0.00 O ATOM 74 CB LEU A 5 -15.665 -0.517 -15.724 1.00 0.00 C ATOM 75 CG LEU A 5 -16.499 0.771 -15.785 1.00 0.00 C ATOM 76 CD1 LEU A 5 -17.558 0.704 -16.877 1.00 0.00 C ATOM 77 CD2 LEU A 5 -17.144 1.049 -14.436 1.00 0.00 C ATOM 0 H LEU A 5 -15.553 -0.843 -18.906 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.382 0.116 -17.354 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.342 -1.358 -15.574 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.020 -0.467 -14.847 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.824 1.591 -16.030 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.128 1.633 -16.889 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.075 0.562 -17.844 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.230 -0.131 -16.681 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.732 1.965 -14.496 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.795 0.217 -14.166 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.369 1.164 -13.679 1.00 0.00 H new ATOM 89 N LEU A 6 -12.536 -1.007 -16.125 1.00 0.00 N ATOM 90 CA LEU A 6 -11.402 -1.657 -15.480 1.00 0.00 C ATOM 91 C LEU A 6 -11.280 -1.106 -14.064 1.00 0.00 C ATOM 92 O LEU A 6 -10.240 -1.208 -13.416 1.00 0.00 O ATOM 93 CB LEU A 6 -10.094 -1.411 -16.253 1.00 0.00 C ATOM 94 CG LEU A 6 -9.924 -2.184 -17.572 1.00 0.00 C ATOM 95 CD1 LEU A 6 -10.198 -3.668 -17.363 1.00 0.00 C ATOM 96 CD2 LEU A 6 -10.814 -1.612 -18.666 1.00 0.00 C ATOM 0 H LEU A 6 -12.433 0.003 -16.227 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.571 -2.734 -15.462 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.020 -0.345 -16.470 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.258 -1.662 -15.600 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.890 -2.071 -17.898 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.073 -4.198 -18.307 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.499 -4.067 -16.628 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.218 -3.803 -17.004 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.671 -2.180 -19.585 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.857 -1.678 -18.358 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.552 -0.568 -18.840 1.00 0.00 H new ATOM 108 N ASP A 7 -12.377 -0.527 -13.594 1.00 0.00 N ATOM 109 CA ASP A 7 -12.408 0.166 -12.317 1.00 0.00 C ATOM 110 C ASP A 7 -12.937 -0.756 -11.224 1.00 0.00 C ATOM 111 O ASP A 7 -14.148 -0.931 -11.073 1.00 0.00 O ATOM 112 CB ASP A 7 -13.281 1.418 -12.430 1.00 0.00 C ATOM 113 CG ASP A 7 -13.266 2.265 -11.176 1.00 0.00 C ATOM 114 OD1 ASP A 7 -12.166 2.615 -10.711 1.00 0.00 O ATOM 115 OD2 ASP A 7 -14.357 2.606 -10.674 1.00 0.00 O ATOM 0 H ASP A 7 -13.269 -0.526 -14.089 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.394 0.464 -12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.937 2.019 -13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.307 1.120 -12.649 1.00 0.00 H new ATOM 120 N ILE A 8 -12.021 -1.378 -10.502 1.00 0.00 N ATOM 121 CA ILE A 8 -12.385 -2.310 -9.438 1.00 0.00 C ATOM 122 C ILE A 8 -12.261 -1.686 -8.046 1.00 0.00 C ATOM 123 O ILE A 8 -13.150 -1.849 -7.209 1.00 0.00 O ATOM 124 CB ILE A 8 -11.534 -3.598 -9.491 1.00 0.00 C ATOM 125 CG1 ILE A 8 -10.043 -3.263 -9.631 1.00 0.00 C ATOM 126 CG2 ILE A 8 -11.995 -4.495 -10.630 1.00 0.00 C ATOM 127 CD1 ILE A 8 -9.138 -4.476 -9.592 1.00 0.00 C ATOM 0 H ILE A 8 -11.016 -1.257 -10.630 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.431 -2.562 -9.612 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.671 -4.136 -8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.886 -2.734 -10.571 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.756 -2.582 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.384 -5.398 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.040 -4.767 -10.479 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.892 -3.964 -11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.100 -4.159 -9.697 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.265 -4.994 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.396 -5.149 -10.410 1.00 0.00 H new ATOM 139 N LEU A 9 -11.167 -0.971 -7.798 1.00 0.00 N ATOM 140 CA LEU A 9 -10.886 -0.455 -6.463 1.00 0.00 C ATOM 141 C LEU A 9 -10.659 1.051 -6.468 1.00 0.00 C ATOM 142 O LEU A 9 -9.725 1.553 -7.099 1.00 0.00 O ATOM 143 CB LEU A 9 -9.664 -1.153 -5.853 1.00 0.00 C ATOM 144 CG LEU A 9 -9.970 -2.272 -4.848 1.00 0.00 C ATOM 145 CD1 LEU A 9 -10.887 -1.766 -3.742 1.00 0.00 C ATOM 146 CD2 LEU A 9 -10.578 -3.483 -5.538 1.00 0.00 C ATOM 0 H LEU A 9 -10.465 -0.737 -8.500 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.766 -0.665 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.065 -1.570 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.050 -0.402 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.027 -2.583 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.091 -2.575 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.403 -0.943 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.824 -1.418 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.783 -4.258 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.508 -3.194 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.880 -3.867 -6.282 1.00 0.00 H new ATOM 158 N VAL A 10 -11.521 1.759 -5.761 1.00 0.00 N ATOM 159 CA VAL A 10 -11.348 3.184 -5.541 1.00 0.00 C ATOM 160 C VAL A 10 -11.057 3.446 -4.068 1.00 0.00 C ATOM 161 O VAL A 10 -11.408 2.635 -3.209 1.00 0.00 O ATOM 162 CB VAL A 10 -12.594 3.996 -5.967 1.00 0.00 C ATOM 163 CG1 VAL A 10 -12.790 3.929 -7.474 1.00 0.00 C ATOM 164 CG2 VAL A 10 -13.842 3.508 -5.238 1.00 0.00 C ATOM 0 H VAL A 10 -12.356 1.366 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.510 3.509 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.428 5.037 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.672 4.507 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.913 4.341 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.926 2.891 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.703 4.096 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.013 2.458 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.703 3.621 -4.163 1.00 0.00 H new ATOM 174 N CYS A 11 -10.407 4.567 -3.784 1.00 0.00 N ATOM 175 CA CYS A 11 -10.107 4.959 -2.412 1.00 0.00 C ATOM 176 C CYS A 11 -11.388 5.037 -1.586 1.00 0.00 C ATOM 177 O CYS A 11 -12.347 5.697 -1.980 1.00 0.00 O ATOM 178 CB CYS A 11 -9.391 6.313 -2.402 1.00 0.00 C ATOM 179 SG CYS A 11 -9.052 6.971 -0.751 1.00 0.00 S ATOM 0 H CYS A 11 -10.075 5.225 -4.490 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.455 4.207 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.449 6.215 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.998 7.035 -2.949 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.444 8.115 -0.856 1.00 0.00 H new ATOM 185 N PRO A 12 -11.424 4.358 -0.432 1.00 0.00 N ATOM 186 CA PRO A 12 -12.613 4.323 0.431 1.00 0.00 C ATOM 187 C PRO A 12 -12.914 5.677 1.076 1.00 0.00 C ATOM 188 O PRO A 12 -13.982 5.876 1.657 1.00 0.00 O ATOM 189 CB PRO A 12 -12.247 3.289 1.499 1.00 0.00 C ATOM 190 CG PRO A 12 -10.756 3.276 1.527 1.00 0.00 C ATOM 191 CD PRO A 12 -10.311 3.563 0.122 1.00 0.00 C ATOM 0 HA PRO A 12 -13.513 4.076 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.658 3.563 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.646 2.306 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.373 4.026 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.381 2.310 1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.373 4.117 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.151 2.646 -0.444 1.00 0.00 H new ATOM 199 N VAL A 13 -11.968 6.602 0.977 1.00 0.00 N ATOM 200 CA VAL A 13 -12.133 7.919 1.576 1.00 0.00 C ATOM 201 C VAL A 13 -12.370 8.992 0.512 1.00 0.00 C ATOM 202 O VAL A 13 -13.353 9.731 0.573 1.00 0.00 O ATOM 203 CB VAL A 13 -10.902 8.309 2.426 1.00 0.00 C ATOM 204 CG1 VAL A 13 -11.119 9.643 3.122 1.00 0.00 C ATOM 205 CG2 VAL A 13 -10.583 7.222 3.442 1.00 0.00 C ATOM 0 H VAL A 13 -11.082 6.465 0.490 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.009 7.862 2.223 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.050 8.413 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.238 9.893 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.288 10.419 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.987 9.575 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.713 7.517 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.437 7.081 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.369 6.289 2.921 1.00 0.00 H new ATOM 215 N CYS A 14 -11.474 9.068 -0.462 1.00 0.00 N ATOM 216 CA CYS A 14 -11.532 10.116 -1.474 1.00 0.00 C ATOM 217 C CYS A 14 -12.297 9.653 -2.714 1.00 0.00 C ATOM 218 O CYS A 14 -12.648 10.462 -3.572 1.00 0.00 O ATOM 219 CB CYS A 14 -10.112 10.539 -1.857 1.00 0.00 C ATOM 220 SG CYS A 14 -10.014 12.100 -2.769 1.00 0.00 S ATOM 0 H CYS A 14 -10.697 8.416 -0.574 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.066 10.968 -1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.515 10.625 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.662 9.751 -2.461 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.064 12.228 -3.524 1.00 0.00 H new ATOM 226 N LYS A 15 -12.563 8.347 -2.790 1.00 0.00 N ATOM 227 CA LYS A 15 -13.244 7.735 -3.938 1.00 0.00 C ATOM 228 C LYS A 15 -12.474 7.942 -5.245 1.00 0.00 C ATOM 229 O LYS A 15 -13.025 7.792 -6.335 1.00 0.00 O ATOM 230 CB LYS A 15 -14.673 8.267 -4.052 1.00 0.00 C ATOM 231 CG LYS A 15 -15.535 7.898 -2.858 1.00 0.00 C ATOM 232 CD LYS A 15 -15.781 6.400 -2.786 1.00 0.00 C ATOM 233 CE LYS A 15 -16.598 6.030 -1.559 1.00 0.00 C ATOM 234 NZ LYS A 15 -16.942 4.583 -1.531 1.00 0.00 N ATOM 0 H LYS A 15 -12.313 7.682 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.282 6.660 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.645 9.352 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.131 7.874 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.049 8.232 -1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.489 8.421 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.303 6.072 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.827 5.874 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.037 6.286 -0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.514 6.620 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.499 4.375 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.499 4.342 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.069 4.019 -1.520 1.00 0.00 H new ATOM 248 N GLY A 16 -11.194 8.262 -5.126 1.00 0.00 N ATOM 249 CA GLY A 16 -10.344 8.354 -6.291 1.00 0.00 C ATOM 250 C GLY A 16 -9.791 6.998 -6.655 1.00 0.00 C ATOM 251 O GLY A 16 -9.535 6.177 -5.772 1.00 0.00 O ATOM 0 H GLY A 16 -10.729 8.460 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.910 8.759 -7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.525 9.046 -6.096 1.00 0.00 H new ATOM 255 N ARG A 17 -9.626 6.746 -7.944 1.00 0.00 N ATOM 256 CA ARG A 17 -9.142 5.453 -8.406 1.00 0.00 C ATOM 257 C ARG A 17 -7.708 5.218 -7.941 1.00 0.00 C ATOM 258 O ARG A 17 -6.874 6.126 -7.980 1.00 0.00 O ATOM 259 CB ARG A 17 -9.237 5.368 -9.931 1.00 0.00 C ATOM 260 CG ARG A 17 -8.781 4.035 -10.504 1.00 0.00 C ATOM 261 CD ARG A 17 -9.093 3.944 -11.987 1.00 0.00 C ATOM 262 NE ARG A 17 -10.532 4.009 -12.236 1.00 0.00 N ATOM 263 CZ ARG A 17 -11.098 4.741 -13.194 1.00 0.00 C ATOM 264 NH1 ARG A 17 -10.348 5.485 -13.998 1.00 0.00 N ATOM 265 NH2 ARG A 17 -12.418 4.737 -13.333 1.00 0.00 N ATOM 0 H ARG A 17 -9.819 7.417 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.769 4.673 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.269 5.547 -10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.635 6.165 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.709 3.915 -10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.274 3.220 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.594 4.756 -12.515 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.695 3.011 -12.387 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.144 3.456 -11.636 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.335 5.497 -13.883 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.785 6.044 -14.730 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.995 4.175 -12.707 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.855 5.296 -14.065 1.00 0.00 H new ATOM 279 N LEU A 18 -7.434 4.000 -7.493 1.00 0.00 N ATOM 280 CA LEU A 18 -6.116 3.649 -6.992 1.00 0.00 C ATOM 281 C LEU A 18 -5.139 3.449 -8.144 1.00 0.00 C ATOM 282 O LEU A 18 -5.526 3.034 -9.238 1.00 0.00 O ATOM 283 CB LEU A 18 -6.199 2.387 -6.128 1.00 0.00 C ATOM 284 CG LEU A 18 -7.102 2.509 -4.898 1.00 0.00 C ATOM 285 CD1 LEU A 18 -7.171 1.189 -4.151 1.00 0.00 C ATOM 286 CD2 LEU A 18 -6.606 3.617 -3.980 1.00 0.00 C ATOM 0 H LEU A 18 -8.111 3.237 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.748 4.469 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.559 1.564 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.194 2.122 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.107 2.764 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.818 1.297 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.574 0.419 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.171 0.902 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.260 3.689 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.591 3.391 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.611 4.565 -4.518 1.00 0.00 H new ATOM 298 N GLU A 19 -3.877 3.756 -7.893 1.00 0.00 N ATOM 299 CA GLU A 19 -2.846 3.672 -8.913 1.00 0.00 C ATOM 300 C GLU A 19 -1.870 2.567 -8.542 1.00 0.00 C ATOM 301 O GLU A 19 -1.076 2.702 -7.610 1.00 0.00 O ATOM 302 CB GLU A 19 -2.148 5.029 -9.041 1.00 0.00 C ATOM 303 CG GLU A 19 -1.500 5.293 -10.393 1.00 0.00 C ATOM 304 CD GLU A 19 -0.098 4.734 -10.511 1.00 0.00 C ATOM 305 OE1 GLU A 19 0.834 5.339 -9.938 1.00 0.00 O ATOM 306 OE2 GLU A 19 0.083 3.712 -11.206 1.00 0.00 O ATOM 0 H GLU A 19 -3.540 4.069 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.282 3.428 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.876 5.816 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.383 5.102 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.122 4.860 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.470 6.368 -10.569 1.00 0.00 H new ATOM 313 N PHE A 20 -1.963 1.469 -9.264 1.00 0.00 N ATOM 314 CA PHE A 20 -1.226 0.258 -8.925 1.00 0.00 C ATOM 315 C PHE A 20 0.208 0.311 -9.431 1.00 0.00 C ATOM 316 O PHE A 20 0.463 0.213 -10.631 1.00 0.00 O ATOM 317 CB PHE A 20 -1.939 -0.975 -9.488 1.00 0.00 C ATOM 318 CG PHE A 20 -1.189 -2.265 -9.270 1.00 0.00 C ATOM 319 CD1 PHE A 20 -1.013 -2.775 -7.994 1.00 0.00 C ATOM 320 CD2 PHE A 20 -0.657 -2.967 -10.343 1.00 0.00 C ATOM 321 CE1 PHE A 20 -0.321 -3.955 -7.791 1.00 0.00 C ATOM 322 CE2 PHE A 20 0.037 -4.146 -10.145 1.00 0.00 C ATOM 323 CZ PHE A 20 0.204 -4.643 -8.867 1.00 0.00 C ATOM 0 H PHE A 20 -2.546 1.386 -10.097 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.193 0.187 -7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.923 -1.056 -9.027 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.098 -0.834 -10.557 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.422 -2.244 -7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.787 -2.587 -11.346 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.191 -4.339 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.449 -4.679 -10.990 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.743 -5.566 -8.710 1.00 0.00 H new ATOM 333 N GLN A 21 1.138 0.463 -8.506 1.00 0.00 N ATOM 334 CA GLN A 21 2.545 0.454 -8.832 1.00 0.00 C ATOM 335 C GLN A 21 3.180 -0.853 -8.380 1.00 0.00 C ATOM 336 O GLN A 21 2.590 -1.611 -7.608 1.00 0.00 O ATOM 337 CB GLN A 21 3.246 1.647 -8.189 1.00 0.00 C ATOM 338 CG GLN A 21 2.899 2.962 -8.844 1.00 0.00 C ATOM 339 CD GLN A 21 3.648 4.121 -8.241 1.00 0.00 C ATOM 340 OE1 GLN A 21 4.764 3.974 -7.740 1.00 0.00 O ATOM 341 NE2 GLN A 21 3.043 5.284 -8.303 1.00 0.00 N ATOM 0 H GLN A 21 0.937 0.595 -7.515 1.00 0.00 H new ATOM 0 HA GLN A 21 2.657 0.535 -9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.978 1.692 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.324 1.497 -8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.122 2.904 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.827 3.139 -8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.118 5.356 -8.728 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.497 6.116 -7.926 1.00 0.00 H new ATOM 350 N ARG A 22 4.375 -1.119 -8.871 1.00 0.00 N ATOM 351 CA ARG A 22 5.053 -2.368 -8.568 1.00 0.00 C ATOM 352 C ARG A 22 6.394 -2.102 -7.903 1.00 0.00 C ATOM 353 O ARG A 22 7.303 -2.931 -7.969 1.00 0.00 O ATOM 354 CB ARG A 22 5.251 -3.184 -9.846 1.00 0.00 C ATOM 355 CG ARG A 22 3.950 -3.578 -10.524 1.00 0.00 C ATOM 356 CD ARG A 22 4.198 -4.389 -11.782 1.00 0.00 C ATOM 357 NE ARG A 22 4.888 -5.642 -11.493 1.00 0.00 N ATOM 358 CZ ARG A 22 5.634 -6.302 -12.375 1.00 0.00 C ATOM 359 NH1 ARG A 22 5.842 -5.799 -13.586 1.00 0.00 N ATOM 360 NH2 ARG A 22 6.189 -7.457 -12.035 1.00 0.00 N ATOM 0 H ARG A 22 4.897 -0.489 -9.480 1.00 0.00 H new ATOM 0 HA ARG A 22 4.432 -2.938 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.855 -2.607 -10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.814 -4.086 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.339 -4.157 -9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.384 -2.681 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.247 -4.602 -12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.791 -3.801 -12.482 1.00 0.00 H new ATOM 0 HE ARG A 22 4.792 -6.036 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.429 -4.903 -13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.415 -6.309 -14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.043 -7.837 -11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.762 -7.966 -12.709 1.00 0.00 H new ATOM 374 N ALA A 23 6.506 -0.957 -7.243 1.00 0.00 N ATOM 375 CA ALA A 23 7.734 -0.604 -6.544 1.00 0.00 C ATOM 376 C ALA A 23 7.815 -1.389 -5.243 1.00 0.00 C ATOM 377 O ALA A 23 8.669 -2.262 -5.078 1.00 0.00 O ATOM 378 CB ALA A 23 7.794 0.896 -6.285 1.00 0.00 C ATOM 0 H ALA A 23 5.765 -0.259 -7.177 1.00 0.00 H new ATOM 0 HA ALA A 23 8.591 -0.862 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.719 1.138 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.763 1.431 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.943 1.194 -5.673 1.00 0.00 H new ATOM 384 N GLN A 24 6.906 -1.086 -4.333 1.00 0.00 N ATOM 385 CA GLN A 24 6.742 -1.870 -3.120 1.00 0.00 C ATOM 386 C GLN A 24 5.412 -2.606 -3.188 1.00 0.00 C ATOM 387 O GLN A 24 4.918 -3.119 -2.182 1.00 0.00 O ATOM 388 CB GLN A 24 6.786 -0.979 -1.872 1.00 0.00 C ATOM 389 CG GLN A 24 8.187 -0.647 -1.362 1.00 0.00 C ATOM 390 CD GLN A 24 8.966 0.289 -2.273 1.00 0.00 C ATOM 391 OE1 GLN A 24 8.877 1.512 -2.148 1.00 0.00 O ATOM 392 NE2 GLN A 24 9.774 -0.271 -3.158 1.00 0.00 N ATOM 0 H GLN A 24 6.265 -0.296 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 24 7.563 -2.583 -3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.266 -0.047 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.233 -1.472 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.106 -0.193 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.749 -1.573 -1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.822 -1.287 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.349 0.313 -3.765 1.00 0.00 H new ATOM 401 N ALA A 25 4.855 -2.650 -4.400 1.00 0.00 N ATOM 402 CA ALA A 25 3.537 -3.227 -4.649 1.00 0.00 C ATOM 403 C ALA A 25 2.475 -2.446 -3.888 1.00 0.00 C ATOM 404 O ALA A 25 1.949 -2.901 -2.874 1.00 0.00 O ATOM 405 CB ALA A 25 3.494 -4.708 -4.287 1.00 0.00 C ATOM 0 H ALA A 25 5.309 -2.285 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 25 3.329 -3.153 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.497 -5.102 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.225 -5.250 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.729 -4.831 -3.230 1.00 0.00 H new ATOM 411 N GLU A 26 2.186 -1.253 -4.374 1.00 0.00 N ATOM 412 CA GLU A 26 1.320 -0.338 -3.661 1.00 0.00 C ATOM 413 C GLU A 26 0.225 0.240 -4.553 1.00 0.00 C ATOM 414 O GLU A 26 0.428 0.481 -5.745 1.00 0.00 O ATOM 415 CB GLU A 26 2.153 0.797 -3.055 1.00 0.00 C ATOM 416 CG GLU A 26 2.946 1.622 -4.068 1.00 0.00 C ATOM 417 CD GLU A 26 4.265 0.983 -4.479 1.00 0.00 C ATOM 418 OE1 GLU A 26 4.292 0.215 -5.465 1.00 0.00 O ATOM 419 OE2 GLU A 26 5.293 1.269 -3.828 1.00 0.00 O ATOM 0 H GLU A 26 2.540 -0.896 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 26 0.828 -0.903 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.488 1.464 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.848 0.372 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.334 1.775 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.146 2.606 -3.645 1.00 0.00 H new ATOM 426 N LEU A 27 -0.945 0.441 -3.962 1.00 0.00 N ATOM 427 CA LEU A 27 -2.042 1.125 -4.627 1.00 0.00 C ATOM 428 C LEU A 27 -2.048 2.588 -4.202 1.00 0.00 C ATOM 429 O LEU A 27 -2.543 2.933 -3.126 1.00 0.00 O ATOM 430 CB LEU A 27 -3.383 0.487 -4.263 1.00 0.00 C ATOM 431 CG LEU A 27 -3.471 -1.028 -4.466 1.00 0.00 C ATOM 432 CD1 LEU A 27 -4.744 -1.576 -3.839 1.00 0.00 C ATOM 433 CD2 LEU A 27 -3.432 -1.362 -5.946 1.00 0.00 C ATOM 0 H LEU A 27 -1.158 0.136 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.902 1.045 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.599 0.709 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.164 0.961 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.615 -1.493 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.790 -2.654 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.745 -1.361 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.610 -1.106 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.495 -2.442 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.274 -0.886 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.499 -0.998 -6.377 1.00 0.00 H new ATOM 445 N VAL A 28 -1.473 3.438 -5.029 1.00 0.00 N ATOM 446 CA VAL A 28 -1.334 4.844 -4.699 1.00 0.00 C ATOM 447 C VAL A 28 -2.667 5.575 -4.817 1.00 0.00 C ATOM 448 O VAL A 28 -3.315 5.547 -5.861 1.00 0.00 O ATOM 449 CB VAL A 28 -0.289 5.529 -5.607 1.00 0.00 C ATOM 450 CG1 VAL A 28 -0.138 7.000 -5.251 1.00 0.00 C ATOM 451 CG2 VAL A 28 1.058 4.821 -5.501 1.00 0.00 C ATOM 0 H VAL A 28 -1.092 3.179 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.994 4.898 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.642 5.460 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.604 7.458 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.095 7.505 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.186 7.092 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.782 5.317 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.408 4.857 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.948 3.782 -5.810 1.00 0.00 H new ATOM 461 N CYS A 29 -3.078 6.208 -3.733 1.00 0.00 N ATOM 462 CA CYS A 29 -4.237 7.079 -3.755 1.00 0.00 C ATOM 463 C CYS A 29 -3.834 8.401 -4.387 1.00 0.00 C ATOM 464 O CYS A 29 -3.243 9.260 -3.723 1.00 0.00 O ATOM 465 CB CYS A 29 -4.762 7.307 -2.340 1.00 0.00 C ATOM 466 SG CYS A 29 -5.098 5.783 -1.434 1.00 0.00 S ATOM 0 H CYS A 29 -2.623 6.134 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.034 6.616 -4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.034 7.897 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.677 7.897 -2.393 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.332 6.063 -0.186 1.00 0.00 H new ATOM 472 N ASN A 30 -4.131 8.545 -5.672 1.00 0.00 N ATOM 473 CA ASN A 30 -3.628 9.651 -6.472 1.00 0.00 C ATOM 474 C ASN A 30 -4.394 10.942 -6.188 1.00 0.00 C ATOM 475 O ASN A 30 -4.908 11.598 -7.095 1.00 0.00 O ATOM 476 CB ASN A 30 -3.725 9.278 -7.950 1.00 0.00 C ATOM 477 CG ASN A 30 -2.615 9.883 -8.778 1.00 0.00 C ATOM 478 OD1 ASN A 30 -2.128 10.975 -8.495 1.00 0.00 O ATOM 479 ND2 ASN A 30 -2.196 9.163 -9.803 1.00 0.00 N ATOM 0 H ASN A 30 -4.727 7.898 -6.188 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.587 9.833 -6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.697 8.193 -8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.687 9.609 -8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.440 9.509 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.628 8.261 -10.003 1.00 0.00 H new ATOM 486 N ALA A 31 -4.459 11.289 -4.915 1.00 0.00 N ATOM 487 CA ALA A 31 -5.071 12.525 -4.459 1.00 0.00 C ATOM 488 C ALA A 31 -4.655 12.799 -3.023 1.00 0.00 C ATOM 489 O ALA A 31 -4.388 13.938 -2.640 1.00 0.00 O ATOM 490 CB ALA A 31 -6.588 12.450 -4.566 1.00 0.00 C ATOM 0 H ALA A 31 -4.084 10.714 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.729 13.342 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.024 13.387 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.872 12.281 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.956 11.629 -3.951 1.00 0.00 H new ATOM 496 N ASP A 32 -4.592 11.732 -2.236 1.00 0.00 N ATOM 497 CA ASP A 32 -4.220 11.828 -0.829 1.00 0.00 C ATOM 498 C ASP A 32 -2.725 11.593 -0.646 1.00 0.00 C ATOM 499 O ASP A 32 -2.192 11.782 0.446 1.00 0.00 O ATOM 500 CB ASP A 32 -4.996 10.798 -0.004 1.00 0.00 C ATOM 501 CG ASP A 32 -6.495 10.922 -0.167 1.00 0.00 C ATOM 502 OD1 ASP A 32 -7.050 10.271 -1.075 1.00 0.00 O ATOM 503 OD2 ASP A 32 -7.123 11.671 0.612 1.00 0.00 O ATOM 0 H ASP A 32 -4.795 10.783 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.466 12.833 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.685 9.796 -0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.739 10.915 1.049 1.00 0.00 H new ATOM 508 N ARG A 33 -2.063 11.169 -1.723 1.00 0.00 N ATOM 509 CA ARG A 33 -0.643 10.822 -1.686 1.00 0.00 C ATOM 510 C ARG A 33 -0.400 9.644 -0.748 1.00 0.00 C ATOM 511 O ARG A 33 0.637 9.553 -0.089 1.00 0.00 O ATOM 512 CB ARG A 33 0.224 12.020 -1.283 1.00 0.00 C ATOM 513 CG ARG A 33 0.269 13.108 -2.341 1.00 0.00 C ATOM 514 CD ARG A 33 1.458 14.022 -2.128 1.00 0.00 C ATOM 515 NE ARG A 33 1.398 14.701 -0.837 1.00 0.00 N ATOM 516 CZ ARG A 33 2.461 14.970 -0.081 1.00 0.00 C ATOM 517 NH1 ARG A 33 3.682 14.639 -0.483 1.00 0.00 N ATOM 518 NH2 ARG A 33 2.298 15.578 1.083 1.00 0.00 N ATOM 0 H ARG A 33 -2.494 11.057 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.352 10.530 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.159 12.441 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.238 11.675 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.326 12.656 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.652 13.690 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.378 13.441 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.494 14.763 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 33 0.482 14.988 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.815 14.173 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.488 14.851 0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.363 15.838 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.108 15.787 1.667 1.00 0.00 H new ATOM 532 N LEU A 34 -1.361 8.733 -0.711 1.00 0.00 N ATOM 533 CA LEU A 34 -1.245 7.532 0.102 1.00 0.00 C ATOM 534 C LEU A 34 -0.979 6.336 -0.793 1.00 0.00 C ATOM 535 O LEU A 34 -1.056 6.446 -2.014 1.00 0.00 O ATOM 536 CB LEU A 34 -2.520 7.298 0.918 1.00 0.00 C ATOM 537 CG LEU A 34 -2.816 8.350 1.985 1.00 0.00 C ATOM 538 CD1 LEU A 34 -4.160 8.077 2.642 1.00 0.00 C ATOM 539 CD2 LEU A 34 -1.712 8.370 3.028 1.00 0.00 C ATOM 0 H LEU A 34 -2.232 8.803 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.415 7.662 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.366 7.252 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.448 6.324 1.402 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.858 9.328 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.355 8.836 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.946 8.106 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.143 7.093 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.937 9.125 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.643 7.392 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.763 8.608 2.548 1.00 0.00 H new ATOM 551 N ALA A 35 -0.668 5.205 -0.193 1.00 0.00 N ATOM 552 CA ALA A 35 -0.400 3.996 -0.951 1.00 0.00 C ATOM 553 C ALA A 35 -0.680 2.753 -0.116 1.00 0.00 C ATOM 554 O ALA A 35 0.011 2.484 0.868 1.00 0.00 O ATOM 555 CB ALA A 35 1.035 3.999 -1.452 1.00 0.00 C ATOM 0 H ALA A 35 -0.594 5.096 0.818 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.069 3.974 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.224 3.088 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.194 4.865 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.717 4.046 -0.603 1.00 0.00 H new ATOM 561 N PHE A 36 -1.710 2.011 -0.503 1.00 0.00 N ATOM 562 CA PHE A 36 -2.063 0.773 0.180 1.00 0.00 C ATOM 563 C PHE A 36 -1.159 -0.360 -0.295 1.00 0.00 C ATOM 564 O PHE A 36 -1.120 -0.672 -1.484 1.00 0.00 O ATOM 565 CB PHE A 36 -3.531 0.414 -0.072 1.00 0.00 C ATOM 566 CG PHE A 36 -4.504 1.431 0.451 1.00 0.00 C ATOM 567 CD1 PHE A 36 -4.543 1.745 1.802 1.00 0.00 C ATOM 568 CD2 PHE A 36 -5.380 2.071 -0.405 1.00 0.00 C ATOM 569 CE1 PHE A 36 -5.438 2.680 2.285 1.00 0.00 C ATOM 570 CE2 PHE A 36 -6.280 3.005 0.072 1.00 0.00 C ATOM 571 CZ PHE A 36 -6.309 3.308 1.419 1.00 0.00 C ATOM 0 H PHE A 36 -2.317 2.246 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.923 0.918 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.687 0.294 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.744 -0.550 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.866 1.253 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.361 1.838 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.456 2.919 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.960 3.497 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.013 4.036 1.794 1.00 0.00 H new ATOM 581 N PRO A 37 -0.413 -0.981 0.620 1.00 0.00 N ATOM 582 CA PRO A 37 0.554 -2.014 0.267 1.00 0.00 C ATOM 583 C PRO A 37 -0.086 -3.377 0.028 1.00 0.00 C ATOM 584 O PRO A 37 -0.918 -3.842 0.816 1.00 0.00 O ATOM 585 CB PRO A 37 1.474 -2.055 1.484 1.00 0.00 C ATOM 586 CG PRO A 37 0.618 -1.637 2.630 1.00 0.00 C ATOM 587 CD PRO A 37 -0.450 -0.727 2.071 1.00 0.00 C ATOM 0 HA PRO A 37 1.063 -1.788 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.879 -3.055 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.323 -1.383 1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.171 -2.505 3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.210 -1.120 3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.429 -0.956 2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.242 0.319 2.298 1.00 0.00 H new ATOM 595 N VAL A 38 0.299 -4.012 -1.066 1.00 0.00 N ATOM 596 CA VAL A 38 -0.147 -5.359 -1.360 1.00 0.00 C ATOM 597 C VAL A 38 0.876 -6.354 -0.826 1.00 0.00 C ATOM 598 O VAL A 38 1.936 -6.550 -1.419 1.00 0.00 O ATOM 599 CB VAL A 38 -0.350 -5.591 -2.875 1.00 0.00 C ATOM 600 CG1 VAL A 38 -0.910 -6.988 -3.137 1.00 0.00 C ATOM 601 CG2 VAL A 38 -1.255 -4.513 -3.462 1.00 0.00 C ATOM 0 H VAL A 38 0.923 -3.612 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.112 -5.503 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 38 0.619 -5.524 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.045 -7.131 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.215 -7.736 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.870 -7.096 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.388 -4.691 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.225 -4.542 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.800 -3.534 -3.311 1.00 0.00 H new ATOM 611 N ARG A 39 0.560 -6.971 0.299 1.00 0.00 N ATOM 612 CA ARG A 39 1.482 -7.882 0.956 1.00 0.00 C ATOM 613 C ARG A 39 1.361 -9.267 0.341 1.00 0.00 C ATOM 614 O ARG A 39 0.759 -10.169 0.925 1.00 0.00 O ATOM 615 CB ARG A 39 1.197 -7.923 2.459 1.00 0.00 C ATOM 616 CG ARG A 39 2.230 -8.685 3.273 1.00 0.00 C ATOM 617 CD ARG A 39 1.855 -8.702 4.747 1.00 0.00 C ATOM 618 NE ARG A 39 2.836 -9.415 5.561 1.00 0.00 N ATOM 619 CZ ARG A 39 2.525 -10.107 6.653 1.00 0.00 C ATOM 620 NH1 ARG A 39 1.258 -10.188 7.047 1.00 0.00 N ATOM 621 NH2 ARG A 39 3.478 -10.716 7.346 1.00 0.00 N ATOM 0 H ARG A 39 -0.333 -6.857 0.779 1.00 0.00 H new ATOM 0 HA ARG A 39 2.503 -7.529 0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.139 -6.901 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.219 -8.377 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.309 -9.707 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.210 -8.224 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.763 -7.678 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.878 -9.171 4.866 1.00 0.00 H new ATOM 0 HE ARG A 39 3.815 -9.380 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.527 -9.720 6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.017 -10.718 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.449 -10.653 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.239 -11.247 8.184 1.00 0.00 H new ATOM 635 N ASP A 40 1.904 -9.390 -0.870 1.00 0.00 N ATOM 636 CA ASP A 40 1.878 -10.633 -1.643 1.00 0.00 C ATOM 637 C ASP A 40 0.473 -11.226 -1.692 1.00 0.00 C ATOM 638 O ASP A 40 0.145 -12.155 -0.954 1.00 0.00 O ATOM 639 CB ASP A 40 2.881 -11.654 -1.091 1.00 0.00 C ATOM 640 CG ASP A 40 2.979 -12.903 -1.953 1.00 0.00 C ATOM 641 OD1 ASP A 40 2.913 -12.785 -3.197 1.00 0.00 O ATOM 642 OD2 ASP A 40 3.147 -14.006 -1.393 1.00 0.00 O ATOM 0 H ASP A 40 2.379 -8.623 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 40 2.175 -10.388 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.864 -11.189 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.587 -11.937 -0.080 1.00 0.00 H new ATOM 647 N GLY A 41 -0.366 -10.645 -2.536 1.00 0.00 N ATOM 648 CA GLY A 41 -1.721 -11.126 -2.688 1.00 0.00 C ATOM 649 C GLY A 41 -2.713 -10.367 -1.833 1.00 0.00 C ATOM 650 O GLY A 41 -3.790 -10.007 -2.304 1.00 0.00 O ATOM 0 H GLY A 41 -0.129 -9.844 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.015 -11.046 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.758 -12.184 -2.427 1.00 0.00 H new ATOM 654 N VAL A 42 -2.346 -10.106 -0.582 1.00 0.00 N ATOM 655 CA VAL A 42 -3.254 -9.467 0.360 1.00 0.00 C ATOM 656 C VAL A 42 -2.985 -7.965 0.452 1.00 0.00 C ATOM 657 O VAL A 42 -1.961 -7.540 0.989 1.00 0.00 O ATOM 658 CB VAL A 42 -3.129 -10.089 1.767 1.00 0.00 C ATOM 659 CG1 VAL A 42 -4.113 -9.449 2.737 1.00 0.00 C ATOM 660 CG2 VAL A 42 -3.332 -11.590 1.709 1.00 0.00 C ATOM 0 H VAL A 42 -1.427 -10.327 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.265 -9.629 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.121 -9.894 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.004 -9.906 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.910 -8.380 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.130 -9.602 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.240 -12.009 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.324 -11.808 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.578 -12.034 1.059 1.00 0.00 H new ATOM 670 N PRO A 43 -3.896 -7.143 -0.084 1.00 0.00 N ATOM 671 CA PRO A 43 -3.779 -5.691 -0.050 1.00 0.00 C ATOM 672 C PRO A 43 -4.284 -5.109 1.267 1.00 0.00 C ATOM 673 O PRO A 43 -5.406 -5.389 1.695 1.00 0.00 O ATOM 674 CB PRO A 43 -4.666 -5.224 -1.217 1.00 0.00 C ATOM 675 CG PRO A 43 -5.309 -6.458 -1.782 1.00 0.00 C ATOM 676 CD PRO A 43 -5.122 -7.552 -0.766 1.00 0.00 C ATOM 0 HA PRO A 43 -2.743 -5.364 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.420 -4.516 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.073 -4.713 -1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.368 -6.288 -1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.851 -6.731 -2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.966 -7.617 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.018 -8.530 -1.237 1.00 0.00 H new ATOM 684 N ILE A 44 -3.453 -4.302 1.904 1.00 0.00 N ATOM 685 CA ILE A 44 -3.819 -3.670 3.163 1.00 0.00 C ATOM 686 C ILE A 44 -4.523 -2.344 2.896 1.00 0.00 C ATOM 687 O ILE A 44 -3.878 -1.329 2.636 1.00 0.00 O ATOM 688 CB ILE A 44 -2.583 -3.427 4.060 1.00 0.00 C ATOM 689 CG1 ILE A 44 -1.815 -4.737 4.283 1.00 0.00 C ATOM 690 CG2 ILE A 44 -2.992 -2.813 5.397 1.00 0.00 C ATOM 691 CD1 ILE A 44 -2.624 -5.819 4.967 1.00 0.00 C ATOM 0 H ILE A 44 -2.518 -4.068 1.570 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.492 -4.347 3.689 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.927 -2.722 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.469 -5.111 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.928 -4.528 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.105 -2.652 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.491 -1.860 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.673 -3.489 5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.010 -6.711 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.948 -5.467 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.497 -6.059 4.360 1.00 0.00 H new ATOM 703 N MET A 45 -5.849 -2.366 2.955 1.00 0.00 N ATOM 704 CA MET A 45 -6.660 -1.185 2.667 1.00 0.00 C ATOM 705 C MET A 45 -6.850 -0.327 3.919 1.00 0.00 C ATOM 706 O MET A 45 -7.789 0.463 4.008 1.00 0.00 O ATOM 707 CB MET A 45 -8.024 -1.609 2.105 1.00 0.00 C ATOM 708 CG MET A 45 -7.937 -2.362 0.786 1.00 0.00 C ATOM 709 SD MET A 45 -7.339 -1.333 -0.571 1.00 0.00 S ATOM 710 CE MET A 45 -8.636 -0.099 -0.667 1.00 0.00 C ATOM 0 H MET A 45 -6.391 -3.194 3.201 1.00 0.00 H new ATOM 0 HA MET A 45 -6.136 -0.585 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.530 -2.237 2.839 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.641 -0.721 1.966 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.274 -3.219 0.905 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.922 -2.754 0.532 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.911 0.059 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 45 -9.507 -0.443 -0.110 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.279 0.838 -0.240 1.00 0.00 H new ATOM 720 N LEU A 46 -5.946 -0.478 4.875 1.00 0.00 N ATOM 721 CA LEU A 46 -6.000 0.278 6.116 1.00 0.00 C ATOM 722 C LEU A 46 -4.995 1.422 6.068 1.00 0.00 C ATOM 723 O LEU A 46 -3.790 1.188 5.997 1.00 0.00 O ATOM 724 CB LEU A 46 -5.700 -0.648 7.296 1.00 0.00 C ATOM 725 CG LEU A 46 -6.624 -1.859 7.412 1.00 0.00 C ATOM 726 CD1 LEU A 46 -6.130 -2.795 8.498 1.00 0.00 C ATOM 727 CD2 LEU A 46 -8.051 -1.415 7.701 1.00 0.00 C ATOM 0 H LEU A 46 -5.159 -1.124 4.813 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.998 0.697 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.672 -1.000 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.764 -0.070 8.218 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.616 -2.394 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.798 -3.654 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.124 -3.137 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.112 -2.268 9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.695 -2.291 7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.076 -0.859 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.404 -0.777 6.891 1.00 0.00 H new ATOM 739 N GLU A 47 -5.493 2.651 6.122 1.00 0.00 N ATOM 740 CA GLU A 47 -4.661 3.837 5.925 1.00 0.00 C ATOM 741 C GLU A 47 -3.555 3.944 6.980 1.00 0.00 C ATOM 742 O GLU A 47 -2.418 4.295 6.668 1.00 0.00 O ATOM 743 CB GLU A 47 -5.525 5.113 5.918 1.00 0.00 C ATOM 744 CG GLU A 47 -6.068 5.545 7.280 1.00 0.00 C ATOM 745 CD GLU A 47 -7.033 4.548 7.890 1.00 0.00 C ATOM 746 OE1 GLU A 47 -8.240 4.631 7.595 1.00 0.00 O ATOM 747 OE2 GLU A 47 -6.587 3.684 8.678 1.00 0.00 O ATOM 0 H GLU A 47 -6.476 2.856 6.302 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.177 3.734 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.933 5.930 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.367 4.958 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.233 5.696 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.570 6.507 7.174 1.00 0.00 H new ATOM 754 N ALA A 48 -3.891 3.624 8.221 1.00 0.00 N ATOM 755 CA ALA A 48 -2.948 3.729 9.326 1.00 0.00 C ATOM 756 C ALA A 48 -1.801 2.733 9.191 1.00 0.00 C ATOM 757 O ALA A 48 -0.692 2.978 9.672 1.00 0.00 O ATOM 758 CB ALA A 48 -3.667 3.526 10.648 1.00 0.00 C ATOM 0 H ALA A 48 -4.816 3.287 8.490 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.518 4.730 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.952 3.607 11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.438 4.287 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.127 2.538 10.664 1.00 0.00 H new ATOM 764 N GLU A 49 -2.060 1.619 8.523 1.00 0.00 N ATOM 765 CA GLU A 49 -1.068 0.563 8.404 1.00 0.00 C ATOM 766 C GLU A 49 -0.490 0.521 6.995 1.00 0.00 C ATOM 767 O GLU A 49 0.255 -0.393 6.639 1.00 0.00 O ATOM 768 CB GLU A 49 -1.686 -0.780 8.781 1.00 0.00 C ATOM 769 CG GLU A 49 -2.389 -0.746 10.126 1.00 0.00 C ATOM 770 CD GLU A 49 -2.457 -2.103 10.784 1.00 0.00 C ATOM 771 OE1 GLU A 49 -3.350 -2.901 10.436 1.00 0.00 O ATOM 772 OE2 GLU A 49 -1.615 -2.372 11.667 1.00 0.00 O ATOM 0 H GLU A 49 -2.946 1.424 8.057 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.250 0.773 9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.398 -1.076 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.906 -1.541 8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.868 -0.053 10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.400 -0.360 9.993 1.00 0.00 H new ATOM 779 N ALA A 50 -0.824 1.532 6.207 1.00 0.00 N ATOM 780 CA ALA A 50 -0.311 1.652 4.855 1.00 0.00 C ATOM 781 C ALA A 50 0.897 2.578 4.836 1.00 0.00 C ATOM 782 O ALA A 50 1.420 2.949 5.890 1.00 0.00 O ATOM 783 CB ALA A 50 -1.396 2.173 3.921 1.00 0.00 C ATOM 0 H ALA A 50 -1.453 2.285 6.486 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.002 0.666 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.996 2.258 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.239 1.482 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.730 3.153 4.262 1.00 0.00 H new ATOM 789 N ARG A 51 1.338 2.948 3.644 1.00 0.00 N ATOM 790 CA ARG A 51 2.447 3.878 3.502 1.00 0.00 C ATOM 791 C ARG A 51 1.969 5.142 2.800 1.00 0.00 C ATOM 792 O ARG A 51 0.983 5.119 2.065 1.00 0.00 O ATOM 793 CB ARG A 51 3.608 3.252 2.714 1.00 0.00 C ATOM 794 CG ARG A 51 3.271 2.948 1.261 1.00 0.00 C ATOM 795 CD ARG A 51 4.495 2.496 0.476 1.00 0.00 C ATOM 796 NE ARG A 51 5.533 3.529 0.423 1.00 0.00 N ATOM 797 CZ ARG A 51 6.343 3.730 -0.620 1.00 0.00 C ATOM 798 NH1 ARG A 51 6.214 3.000 -1.724 1.00 0.00 N ATOM 799 NH2 ARG A 51 7.279 4.669 -0.561 1.00 0.00 N ATOM 0 H ARG A 51 0.946 2.619 2.762 1.00 0.00 H new ATOM 0 HA ARG A 51 2.812 4.125 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.462 3.928 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.914 2.329 3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.507 2.172 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.848 3.837 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.905 1.595 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.196 2.232 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 51 5.644 4.135 1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.493 2.281 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.836 3.159 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.380 5.237 0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.898 4.823 -1.357 1.00 0.00 H new ATOM 813 N SER A 52 2.650 6.239 3.044 1.00 0.00 N ATOM 814 CA SER A 52 2.348 7.478 2.373 1.00 0.00 C ATOM 815 C SER A 52 3.523 7.885 1.504 1.00 0.00 C ATOM 816 O SER A 52 4.573 7.246 1.527 1.00 0.00 O ATOM 817 CB SER A 52 2.045 8.562 3.404 1.00 0.00 C ATOM 818 OG SER A 52 1.726 9.805 2.797 1.00 0.00 O ATOM 0 H SER A 52 3.422 6.295 3.708 1.00 0.00 H new ATOM 0 HA SER A 52 1.471 7.346 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.213 8.242 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.907 8.690 4.058 1.00 0.00 H new ATOM 0 HG SER A 52 1.537 10.470 3.492 1.00 0.00 H new ATOM 824 N LEU A 53 3.331 8.938 0.735 1.00 0.00 N ATOM 825 CA LEU A 53 4.406 9.519 -0.056 1.00 0.00 C ATOM 826 C LEU A 53 5.014 10.677 0.714 1.00 0.00 C ATOM 827 O LEU A 53 6.024 11.256 0.318 1.00 0.00 O ATOM 828 CB LEU A 53 3.887 9.991 -1.415 1.00 0.00 C ATOM 829 CG LEU A 53 3.295 8.894 -2.302 1.00 0.00 C ATOM 830 CD1 LEU A 53 2.771 9.485 -3.602 1.00 0.00 C ATOM 831 CD2 LEU A 53 4.337 7.825 -2.590 1.00 0.00 C ATOM 0 H LEU A 53 2.434 9.415 0.638 1.00 0.00 H new ATOM 0 HA LEU A 53 5.169 8.762 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.126 10.754 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.706 10.469 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 53 2.462 8.433 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.354 8.691 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.996 10.219 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.588 9.970 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.900 7.052 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.188 8.275 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.671 7.381 -1.652 1.00 0.00 H new ATOM 843 N ASP A 54 4.363 11.007 1.822 1.00 0.00 N ATOM 844 CA ASP A 54 4.827 12.052 2.725 1.00 0.00 C ATOM 845 C ASP A 54 5.470 11.431 3.962 1.00 0.00 C ATOM 846 O ASP A 54 6.402 11.987 4.547 1.00 0.00 O ATOM 847 CB ASP A 54 3.647 12.935 3.138 1.00 0.00 C ATOM 848 CG ASP A 54 4.009 13.954 4.202 1.00 0.00 C ATOM 849 OD1 ASP A 54 4.514 15.040 3.846 1.00 0.00 O ATOM 850 OD2 ASP A 54 3.761 13.687 5.397 1.00 0.00 O ATOM 0 H ASP A 54 3.497 10.557 2.120 1.00 0.00 H new ATOM 0 HA ASP A 54 5.571 12.661 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.266 13.456 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.840 12.303 3.509 1.00 0.00 H new ATOM 855 N ALA A 55 4.974 10.260 4.335 1.00 0.00 N ATOM 856 CA ALA A 55 5.441 9.565 5.519 1.00 0.00 C ATOM 857 C ALA A 55 5.823 8.136 5.174 1.00 0.00 C ATOM 858 O ALA A 55 4.960 7.288 4.937 1.00 0.00 O ATOM 859 CB ALA A 55 4.376 9.591 6.606 1.00 0.00 C ATOM 0 H ALA A 55 4.239 9.769 3.825 1.00 0.00 H new ATOM 0 HA ALA A 55 6.326 10.076 5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.743 9.065 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.149 10.624 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.472 9.102 6.242 1.00 0.00 H new ATOM 865 N GLU A 56 7.120 7.891 5.107 1.00 0.00 N ATOM 866 CA GLU A 56 7.636 6.559 4.832 1.00 0.00 C ATOM 867 C GLU A 56 7.653 5.722 6.106 1.00 0.00 C ATOM 868 O GLU A 56 7.438 6.244 7.199 1.00 0.00 O ATOM 869 CB GLU A 56 9.048 6.645 4.256 1.00 0.00 C ATOM 870 CG GLU A 56 9.149 7.499 3.005 1.00 0.00 C ATOM 871 CD GLU A 56 8.204 7.049 1.910 1.00 0.00 C ATOM 872 OE1 GLU A 56 8.113 5.828 1.662 1.00 0.00 O ATOM 873 OE2 GLU A 56 7.556 7.913 1.293 1.00 0.00 O ATOM 0 H GLU A 56 7.840 8.601 5.240 1.00 0.00 H new ATOM 0 HA GLU A 56 6.981 6.082 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.716 7.050 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.399 5.639 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.934 8.537 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.172 7.468 2.631 1.00 0.00 H new ATOM 880 N ALA A 57 7.923 4.433 5.959 1.00 0.00 N ATOM 881 CA ALA A 57 7.987 3.530 7.099 1.00 0.00 C ATOM 882 C ALA A 57 9.429 3.309 7.541 1.00 0.00 C ATOM 883 O ALA A 57 10.227 2.707 6.817 1.00 0.00 O ATOM 884 CB ALA A 57 7.327 2.204 6.759 1.00 0.00 C ATOM 0 H ALA A 57 8.102 3.988 5.059 1.00 0.00 H new ATOM 0 HA ALA A 57 7.447 3.989 7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.382 1.539 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.282 2.374 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.842 1.747 5.914 1.00 0.00 H new ATOM 890 N PRO A 58 9.795 3.822 8.721 1.00 0.00 N ATOM 891 CA PRO A 58 11.130 3.637 9.285 1.00 0.00 C ATOM 892 C PRO A 58 11.310 2.233 9.853 1.00 0.00 C ATOM 893 O PRO A 58 10.633 1.845 10.806 1.00 0.00 O ATOM 894 CB PRO A 58 11.211 4.686 10.406 1.00 0.00 C ATOM 895 CG PRO A 58 9.961 5.503 10.297 1.00 0.00 C ATOM 896 CD PRO A 58 8.953 4.640 9.597 1.00 0.00 C ATOM 0 HA PRO A 58 11.911 3.754 8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 58 11.281 4.208 11.383 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.097 5.311 10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.602 5.798 11.283 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.144 6.420 9.737 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.383 4.030 10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.233 5.232 9.032 1.00 0.00 H new ATOM 904 N ALA A 59 12.209 1.470 9.258 1.00 0.00 N ATOM 905 CA ALA A 59 12.439 0.099 9.682 1.00 0.00 C ATOM 906 C ALA A 59 13.928 -0.191 9.800 1.00 0.00 C ATOM 907 O ALA A 59 14.619 -0.379 8.795 1.00 0.00 O ATOM 908 CB ALA A 59 11.785 -0.876 8.712 1.00 0.00 C ATOM 0 H ALA A 59 12.792 1.776 8.479 1.00 0.00 H new ATOM 0 HA ALA A 59 11.987 -0.031 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.967 -1.898 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.711 -0.691 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.208 -0.738 7.717 1.00 0.00 H new ATOM 914 N GLN A 60 14.425 -0.192 11.029 1.00 0.00 N ATOM 915 CA GLN A 60 15.816 -0.529 11.298 1.00 0.00 C ATOM 916 C GLN A 60 15.888 -1.506 12.466 1.00 0.00 C ATOM 917 O GLN A 60 15.790 -1.107 13.626 1.00 0.00 O ATOM 918 CB GLN A 60 16.629 0.733 11.600 1.00 0.00 C ATOM 919 CG GLN A 60 16.657 1.724 10.450 1.00 0.00 C ATOM 920 CD GLN A 60 17.480 2.959 10.754 1.00 0.00 C ATOM 921 OE1 GLN A 60 17.595 3.384 11.903 1.00 0.00 O ATOM 922 NE2 GLN A 60 18.066 3.541 9.720 1.00 0.00 N ATOM 0 H GLN A 60 13.881 0.038 11.861 1.00 0.00 H new ATOM 0 HA GLN A 60 16.244 -1.000 10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.213 1.222 12.481 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.651 0.447 11.848 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.061 1.233 9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.637 2.024 10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.945 3.157 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.638 4.374 9.860 1.00 0.00 H new ATOM 931 N PRO A 61 16.032 -2.804 12.163 1.00 0.00 N ATOM 932 CA PRO A 61 15.976 -3.874 13.165 1.00 0.00 C ATOM 933 C PRO A 61 17.151 -3.852 14.141 1.00 0.00 C ATOM 934 O PRO A 61 18.257 -4.269 13.795 1.00 0.00 O ATOM 935 CB PRO A 61 16.002 -5.164 12.331 1.00 0.00 C ATOM 936 CG PRO A 61 15.741 -4.740 10.923 1.00 0.00 C ATOM 937 CD PRO A 61 16.262 -3.338 10.815 1.00 0.00 C ATOM 0 HA PRO A 61 15.092 -3.771 13.794 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.966 -5.666 12.416 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.244 -5.868 12.675 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.244 -5.400 10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.676 -4.780 10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.318 -3.318 10.546 1.00 0.00 H new ATOM 0 HD3 PRO A 61 15.729 -2.765 10.056 1.00 0.00 H new ATOM 945 N SER A 62 16.878 -3.322 15.338 1.00 0.00 N ATOM 946 CA SER A 62 17.790 -3.337 16.490 1.00 0.00 C ATOM 947 C SER A 62 19.269 -3.205 16.119 1.00 0.00 C ATOM 948 O SER A 62 19.956 -4.198 15.867 1.00 0.00 O ATOM 949 CB SER A 62 17.566 -4.611 17.305 1.00 0.00 C ATOM 950 OG SER A 62 16.216 -4.700 17.736 1.00 0.00 O ATOM 0 H SER A 62 15.992 -2.858 15.539 1.00 0.00 H new ATOM 0 HA SER A 62 17.551 -2.453 17.082 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.819 -5.483 16.702 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.230 -4.617 18.169 1.00 0.00 H new ATOM 0 HG SER A 62 16.092 -5.522 18.254 1.00 0.00 H new ATOM 956 N LEU A 63 19.762 -1.976 16.090 1.00 0.00 N ATOM 957 CA LEU A 63 21.183 -1.739 15.885 1.00 0.00 C ATOM 958 C LEU A 63 21.904 -1.876 17.215 1.00 0.00 C ATOM 959 O LEU A 63 22.015 -0.916 17.980 1.00 0.00 O ATOM 960 CB LEU A 63 21.447 -0.356 15.270 1.00 0.00 C ATOM 961 CG LEU A 63 21.091 -0.208 13.783 1.00 0.00 C ATOM 962 CD1 LEU A 63 19.588 -0.270 13.560 1.00 0.00 C ATOM 963 CD2 LEU A 63 21.654 1.092 13.236 1.00 0.00 C ATOM 0 H LEU A 63 19.202 -1.131 16.205 1.00 0.00 H new ATOM 0 HA LEU A 63 21.561 -2.479 15.180 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.883 0.386 15.835 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.503 -0.118 15.397 1.00 0.00 H new ATOM 0 HG LEU A 63 21.540 -1.044 13.247 1.00 0.00 H new ATOM 0 HD11 LEU A 63 19.373 -0.162 12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.207 -1.229 13.911 1.00 0.00 H new ATOM 0 HD13 LEU A 63 19.105 0.536 14.112 1.00 0.00 H new ATOM 0 HD21 LEU A 63 21.395 1.185 12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 21.233 1.932 13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 22.739 1.093 13.345 1.00 0.00 H new ATOM 975 N GLU A 64 22.353 -3.090 17.495 1.00 0.00 N ATOM 976 CA GLU A 64 22.935 -3.422 18.785 1.00 0.00 C ATOM 977 C GLU A 64 23.886 -4.606 18.654 1.00 0.00 C ATOM 978 O GLU A 64 23.666 -5.497 17.833 1.00 0.00 O ATOM 979 CB GLU A 64 21.816 -3.763 19.778 1.00 0.00 C ATOM 980 CG GLU A 64 22.309 -4.283 21.121 1.00 0.00 C ATOM 981 CD GLU A 64 21.191 -4.863 21.959 1.00 0.00 C ATOM 982 OE1 GLU A 64 20.653 -5.927 21.585 1.00 0.00 O ATOM 983 OE2 GLU A 64 20.837 -4.263 22.993 1.00 0.00 O ATOM 0 H GLU A 64 22.324 -3.869 16.837 1.00 0.00 H new ATOM 0 HA GLU A 64 23.499 -2.563 19.149 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.211 -2.872 19.946 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.163 -4.511 19.329 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.069 -5.046 20.955 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.787 -3.471 21.669 1.00 0.00 H new ATOM 990 N HIS A 65 24.946 -4.604 19.453 1.00 0.00 N ATOM 991 CA HIS A 65 25.830 -5.754 19.540 1.00 0.00 C ATOM 992 C HIS A 65 25.271 -6.729 20.574 1.00 0.00 C ATOM 993 O HIS A 65 25.650 -6.711 21.749 1.00 0.00 O ATOM 994 CB HIS A 65 27.254 -5.321 19.902 1.00 0.00 C ATOM 995 CG HIS A 65 28.259 -6.432 19.869 1.00 0.00 C ATOM 996 ND1 HIS A 65 28.961 -6.842 20.979 1.00 0.00 N ATOM 997 CD2 HIS A 65 28.687 -7.211 18.847 1.00 0.00 C ATOM 998 CE1 HIS A 65 29.779 -7.820 20.644 1.00 0.00 C ATOM 999 NE2 HIS A 65 29.631 -8.064 19.357 1.00 0.00 N ATOM 0 H HIS A 65 25.212 -3.819 20.048 1.00 0.00 H new ATOM 0 HA HIS A 65 25.881 -6.249 18.570 1.00 0.00 H new ATOM 0 HB2 HIS A 65 27.571 -4.539 19.212 1.00 0.00 H new ATOM 0 HB3 HIS A 65 27.246 -4.882 20.900 1.00 0.00 H new ATOM 0 HD2 HIS A 65 28.348 -7.168 17.822 1.00 0.00 H new ATOM 0 HE1 HIS A 65 30.456 -8.334 21.311 1.00 0.00 H new ATOM 0 HE2 HIS A 65 30.137 -8.773 18.826 1.00 0.00 H new ATOM 1008 N HIS A 66 24.337 -7.551 20.133 1.00 0.00 N ATOM 1009 CA HIS A 66 23.598 -8.429 21.025 1.00 0.00 C ATOM 1010 C HIS A 66 24.253 -9.801 21.097 1.00 0.00 C ATOM 1011 O HIS A 66 24.617 -10.379 20.073 1.00 0.00 O ATOM 1012 CB HIS A 66 22.153 -8.554 20.535 1.00 0.00 C ATOM 1013 CG HIS A 66 21.244 -9.304 21.458 1.00 0.00 C ATOM 1014 ND1 HIS A 66 20.898 -10.623 21.265 1.00 0.00 N ATOM 1015 CD2 HIS A 66 20.596 -8.907 22.576 1.00 0.00 C ATOM 1016 CE1 HIS A 66 20.072 -11.002 22.221 1.00 0.00 C ATOM 1017 NE2 HIS A 66 19.874 -9.980 23.030 1.00 0.00 N ATOM 0 H HIS A 66 24.069 -7.630 19.152 1.00 0.00 H new ATOM 0 HA HIS A 66 23.604 -8.000 22.027 1.00 0.00 H new ATOM 0 HB2 HIS A 66 21.748 -7.554 20.381 1.00 0.00 H new ATOM 0 HB3 HIS A 66 22.154 -9.051 19.565 1.00 0.00 H new ATOM 0 HD2 HIS A 66 20.639 -7.927 23.027 1.00 0.00 H new ATOM 0 HE1 HIS A 66 19.632 -11.983 22.324 1.00 0.00 H new ATOM 0 HE2 HIS A 66 19.280 -9.987 23.859 1.00 0.00 H new ATOM 1026 N HIS A 67 24.387 -10.318 22.311 1.00 0.00 N ATOM 1027 CA HIS A 67 24.984 -11.627 22.530 1.00 0.00 C ATOM 1028 C HIS A 67 24.078 -12.726 21.977 1.00 0.00 C ATOM 1029 O HIS A 67 22.875 -12.743 22.234 1.00 0.00 O ATOM 1030 CB HIS A 67 25.248 -11.841 24.030 1.00 0.00 C ATOM 1031 CG HIS A 67 25.694 -13.227 24.393 1.00 0.00 C ATOM 1032 ND1 HIS A 67 27.017 -13.599 24.499 1.00 0.00 N ATOM 1033 CD2 HIS A 67 24.972 -14.332 24.685 1.00 0.00 C ATOM 1034 CE1 HIS A 67 27.086 -14.872 24.840 1.00 0.00 C ATOM 1035 NE2 HIS A 67 25.858 -15.338 24.961 1.00 0.00 N ATOM 0 H HIS A 67 24.088 -9.846 23.164 1.00 0.00 H new ATOM 0 HA HIS A 67 25.936 -11.674 22.000 1.00 0.00 H new ATOM 0 HB2 HIS A 67 26.008 -11.131 24.357 1.00 0.00 H new ATOM 0 HB3 HIS A 67 24.337 -11.610 24.583 1.00 0.00 H new ATOM 0 HD2 HIS A 67 23.895 -14.407 24.698 1.00 0.00 H new ATOM 0 HE1 HIS A 67 27.994 -15.436 24.994 1.00 0.00 H new ATOM 0 HE2 HIS A 67 25.609 -16.293 25.218 1.00 0.00 H new ATOM 1044 N HIS A 68 24.666 -13.635 21.217 1.00 0.00 N ATOM 1045 CA HIS A 68 23.919 -14.735 20.618 1.00 0.00 C ATOM 1046 C HIS A 68 24.651 -16.058 20.811 1.00 0.00 C ATOM 1047 O HIS A 68 25.590 -16.137 21.609 1.00 0.00 O ATOM 1048 CB HIS A 68 23.644 -14.475 19.129 1.00 0.00 C ATOM 1049 CG HIS A 68 24.827 -14.007 18.330 1.00 0.00 C ATOM 1050 ND1 HIS A 68 25.641 -14.854 17.608 1.00 0.00 N ATOM 1051 CD2 HIS A 68 25.307 -12.760 18.116 1.00 0.00 C ATOM 1052 CE1 HIS A 68 26.566 -14.145 16.989 1.00 0.00 C ATOM 1053 NE2 HIS A 68 26.385 -12.870 17.275 1.00 0.00 N ATOM 0 H HIS A 68 25.662 -13.635 20.998 1.00 0.00 H new ATOM 0 HA HIS A 68 22.958 -14.801 21.128 1.00 0.00 H new ATOM 0 HB2 HIS A 68 23.264 -15.393 18.681 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.853 -13.729 19.047 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.913 -11.844 18.532 1.00 0.00 H new ATOM 0 HE1 HIS A 68 27.343 -14.543 16.353 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.952 -12.096 16.929 1.00 0.00 H new ATOM 1062 N HIS A 69 24.192 -17.090 20.095 1.00 0.00 N ATOM 1063 CA HIS A 69 24.740 -18.450 20.182 1.00 0.00 C ATOM 1064 C HIS A 69 24.309 -19.140 21.476 1.00 0.00 C ATOM 1065 O HIS A 69 23.815 -20.268 21.453 1.00 0.00 O ATOM 1066 CB HIS A 69 26.269 -18.451 20.051 1.00 0.00 C ATOM 1067 CG HIS A 69 26.868 -19.820 19.928 1.00 0.00 C ATOM 1068 ND1 HIS A 69 26.683 -20.627 18.828 1.00 0.00 N ATOM 1069 CD2 HIS A 69 27.657 -20.522 20.776 1.00 0.00 C ATOM 1070 CE1 HIS A 69 27.332 -21.762 19.002 1.00 0.00 C ATOM 1071 NE2 HIS A 69 27.935 -21.724 20.176 1.00 0.00 N ATOM 0 H HIS A 69 23.422 -17.005 19.432 1.00 0.00 H new ATOM 0 HA HIS A 69 24.333 -19.016 19.344 1.00 0.00 H new ATOM 0 HB2 HIS A 69 26.549 -17.863 19.177 1.00 0.00 H new ATOM 0 HB3 HIS A 69 26.699 -17.954 20.921 1.00 0.00 H new ATOM 0 HD2 HIS A 69 28.003 -20.196 21.746 1.00 0.00 H new ATOM 0 HE1 HIS A 69 27.365 -22.584 18.302 1.00 0.00 H new ATOM 0 HE2 HIS A 69 28.512 -22.466 20.572 1.00 0.00 H new ATOM 1080 N HIS A 70 24.500 -18.466 22.596 1.00 0.00 N ATOM 1081 CA HIS A 70 24.078 -18.989 23.884 1.00 0.00 C ATOM 1082 C HIS A 70 23.692 -17.834 24.797 1.00 0.00 C ATOM 1083 O HIS A 70 22.591 -17.281 24.614 1.00 0.00 O ATOM 1084 CB HIS A 70 25.195 -19.826 24.522 1.00 0.00 C ATOM 1085 CG HIS A 70 24.774 -20.549 25.768 1.00 0.00 C ATOM 1086 ND1 HIS A 70 24.884 -20.005 27.030 1.00 0.00 N ATOM 1087 CD2 HIS A 70 24.244 -21.782 25.939 1.00 0.00 C ATOM 1088 CE1 HIS A 70 24.441 -20.871 27.920 1.00 0.00 C ATOM 1089 NE2 HIS A 70 24.046 -21.957 27.286 1.00 0.00 N ATOM 1090 OXT HIS A 70 24.498 -17.470 25.677 1.00 0.00 O ATOM 0 H HIS A 70 24.947 -17.550 22.640 1.00 0.00 H new ATOM 0 HA HIS A 70 23.214 -19.637 23.738 1.00 0.00 H new ATOM 0 HB2 HIS A 70 25.552 -20.554 23.794 1.00 0.00 H new ATOM 0 HB3 HIS A 70 26.035 -19.173 24.758 1.00 0.00 H new ATOM 0 HD1 HIS A 70 25.251 -19.077 27.242 1.00 0.00 H new ATOM 0 HD2 HIS A 70 24.019 -22.496 25.160 1.00 0.00 H new ATOM 0 HE1 HIS A 70 24.407 -20.717 28.988 1.00 0.00 H new TER 1099 HIS A 70